A0A087XID5_POEFO Loading...

Nuclear receptor coactivator 7

AlphaFold DB , UniProt , Accession A0A087XID5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 797 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	39.7	Very low	248 Å²	248	191.3 Å²	191.3	100%	1.222	85%	0.854	S	S	*	*				0	118	0	-70.9	176.7	175.2	0	0	108
2	E	40.1	Very low	40	Very low	199 Å²	199	182.5 Å²	182.5	93%	0.93	82%	0.821	S	S	*	*			trans	-112.1	147.7	169.2	-83.1	-175.2	116.6	0	0	110.3
3	K	34.4	Very low	40.7	Very low	204 Å²	204	185.5 Å²	185.5	89%	0.887	82%	0.822	S	S	*	*			trans	-84.4	118.9	-172.9	-67.2	179.1	179.4	177.3	0	110.1	E5	K3-E5 PolarHBondContact O-N 3.38Å
4	R	35.9	Very low	40.9	Very low	250 Å²	250	179.9 Å²	179.9	94%	0.943	80%	0.803	S	S	*	*			trans	-84.9	102.7	177.1	-152.2	179.5	-154.1	-177.1	7.4	109.7
5	E	38.4	Very low	41.1	Very low	190 Å²	190	179.3 Å²	179.3	89%	0.888	80%	0.799	S	S	*	*			trans	-68.5	148.5	179.9	-68.7	-160.5	140.1	0	0	113.2	K3	K3-E5 PolarHBondContact O-N 3.38Å
6	R	37.7	Very low	41.3	Very low	245 Å²	245	181.5 Å²	181.5	93%	0.925	80%	0.8	S	S	*	*			trans	-98.2	112.1	-167	-167.2	174.9	-175.2	171.5	0.7	109.5	Q8	R6-Q8 PolarHBondContact O-N 3.37Å
7	K	41.3	Very low	41.4	Very low	209 Å²	209	184.5 Å²	184.5	91%	0.909	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-58.6	135.3	-177.7	-75.5	-176.7	176.7	177.3	0	111.7
8	Q	41.3	Very low	41.4	Very low	162 Å²	162	185.1 Å²	185.1	76%	0.757	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.2	150.1	-170.2	-166.2	165.9	-3.9	0	0	113.1	R6 D12	R6-Q8 PolarHBondContact O-N 3.37Å; Q8-D12 WeakPolarHBondContact CG-OD2 3.32Å; Q8-D12 PolarHBondContact NE2-OD2 3.22Å
9	G	45.1	Very low	41.4	Very low	47 Å²	47	184.6 Å²	184.6	49%	0.485	81%	0.808	S	S	.	*	P	Polyproline II helix	trans	-72.3	153.3	-163.9	0	0	0	0	0	116.6	F11 D12	G9-F11 VanDerWaalsContact C-N 3.28Å; G9-F11 PolarHBondContact O-N 3.1Å; G9-D12 PolarHBondContact O-N 2.78Å
10	Y	40	Very low	41.2	Very low	186 Å²	186	183.5 Å²	183.5	73%	0.729	81%	0.81	S	S	*	*	H	α-helix	trans	-50.3	-40.1	-178.9	-178.4	-98.4	0	0	0	114.2	D12 R13 L14	Y10-D12 PolarHBondContact O-N 2.72Å; Y10-R13 PolarHBondContact O-N 3.21Å; Y10-L14 PolarHBondContact O-N 3.45Å
11	F	43.8	Very low	41.1	Very low	164 Å²	164	184 Å²	184	72%	0.719	81%	0.812	S	S	*	*	H	α-helix	trans	-66.8	-31.8	-175.9	-78.6	-86.1	0	0	0	114.7	G9 R13 L14 K15	G9-F11 VanDerWaalsContact C-N 3.28Å; G9-F11 PolarHBondContact O-N 3.1Å; F11-R13 VanDerWaalsContact C-N 3.27Å; F11-R13 PolarHBondContact O-N 3.16Å; F11-L14 PolarHBondContact O-N 3.08Å; F11-K15 PolarHBondContact O-N 3.33Å
12	D	44.1	Very low	41.1	Very low	86 Å²	86	178.4 Å²	178.4	46%	0.46	79%	0.794	S	S	.	*	H	α-helix	trans	-65	-34.9	177.5	-78	-26.8	0	0	0	111.6	Q8 G9 Y10 L14 K15	Q8-D12 WeakPolarHBondContact CG-OD2 3.32Å; Q8-D12 PolarHBondContact NE2-OD2 3.22Å; G9-D12 PolarHBondContact O-N 2.78Å; Y10-D12 PolarHBondContact O-N 2.72Å; D12-L14 VanDerWaalsContact C-N 3.34Å; D12-K15 PolarHBondContact O-N 3.45Å
13	R	49.1	Very low	40.7	Very low	221 Å²	221	175.4 Å²	175.4	83%	0.834	79%	0.789	S	S	*	*	H	α-helix	trans	-69.6	-32.9	177.5	-166	175.6	-71.6	-155	-2.5	111.8	Y10 F11	Y10-R13 PolarHBondContact O-N 3.21Å; F11-R13 VanDerWaalsContact C-N 3.27Å; F11-R13 PolarHBondContact O-N 3.16Å
14	L	43.2	Very low	40.5	Very low	107 Å²	107	174.2 Å²	174.2	56%	0.56	79%	0.787	S	S	*	*	H	α-helix	trans	-70.4	-38.2	177.1	-150	75.5	0	0	0	112	Y10 F11 D12 R16 R17	Y10-L14 PolarHBondContact O-N 3.45Å; F11-L14 PolarHBondContact O-N 3.08Å; D12-L14 VanDerWaalsContact C-N 3.34Å; L14-R16 PolarHBondContact O-N 3.41Å; L14-R17 PolarHBondContact O-N 3Å
15	K	43.8	Very low	40.8	Very low	171 Å²	171	167.9 Å²	167.9	74%	0.743	78%	0.778	S	S	*	*	H	α-helix	trans	-66.3	-34.1	-174.3	-142.5	169.9	-173	175.7	0	113.3	F11 D12 R17	F11-K15 PolarHBondContact O-N 3.33Å; D12-K15 PolarHBondContact O-N 3.45Å; K15-R17 PolarHBondContact O-N 3Å
16	R	43.5	Very low	40.3	Very low	215 Å²	215	166 Å²	166	81%	0.811	77%	0.769	S	S	*	*	H	α-helix	trans	-67.5	-29	176.6	-74.4	-167.3	179.1	-164.7	0.9	114.1	L14 K18	L14-R16 PolarHBondContact O-N 3.41Å; R16-K18 PolarHBondContact O-N 3.43Å
17	R	43.9	Very low	40	Very low	233 Å²	233	162.5 Å²	162.5	88%	0.879	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-7.3	-175.9	-162.6	171.4	178.5	-176.7	-0.8	113.7	L14 K15	L14-R17 PolarHBondContact O-N 3Å; K15-R17 PolarHBondContact O-N 3Å
18	K	41.5	Very low	39.3	Very low	194 Å²	194	158.2 Å²	158.2	84%	0.843	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	9	-175.2	-141.7	174.6	-175.2	178.3	0	115.2	R16	R16-K18 PolarHBondContact O-N 3.43Å
19	Q	41.8	Very low	38.7	Very low	177 Å²	177	159.1 Å²	159.1	83%	0.827	76%	0.761	S	S	*	*	S	Bend	trans	-123.5	16	-179	-70.6	-166.4	-5.7	0	0	115.2
20	L	36.5	Very low	37.8	Very low	161 Å²	161	164.9 Å²	164.9	84%	0.843	78%	0.781	S	S	*	*			trans	-115.1	93.4	176.8	-71.8	170.9	0	0	0	111.7
21	K	39.1	Very low	37.3	Very low	195 Å²	195	164.5 Å²	164.5	85%	0.848	79%	0.786	S	S	*	*			trans	-107.1	130.3	153.6	-82.1	-172.1	173	-173.4	0	107.8
22	P	39.2	Very low	37	Very low	131 Å²	131	162.2 Å²	162.2	85%	0.851	79%	0.787	S	S	*	*			trans	-77.6	140.8	165	31.6	-31.7	0	0	0	110.6
23	T	30.6	Very low	36.2	Very low	135 Å²	135	163.6 Å²	163.6	83%	0.828	80%	0.804	S	S	*	*			trans	-104.1	140.9	174.2	-48.2	0	0	0	0	109.5
24	Q	31.3	Very low	35.7	Very low	180 Å²	180	159.6 Å²	159.6	84%	0.841	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-94.9	137.4	177.1	-78.9	-89.4	-6.5	0	0	111.1
25	P	40.8	Very low	34.8	Very low	116 Å²	116	158.6 Å²	158.6	75%	0.753	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-93.5	172.3	168.7	36.9	-32.6	0	0	0	113
26	E	29.6	Very low	34.1	Very low	152 Å²	152	158 Å²	158	71%	0.71	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-100	167.6	-170.4	-57.3	-179.9	96.4	0	0	116.4
27	K	31.1	Very low	33.2	Very low	171 Å²	171	154.9 Å²	154.9	74%	0.743	82%	0.815	S	S	*	*			trans	73.2	146.8	155	-71.8	144	173.8	132.4	0	116.3
28	S	25.3	Very low	32.3	Very low	119 Å²	119	148.5 Å²	148.5	83%	0.832	81%	0.806	S	S	*	*			cis	-146	-179.5	22.1	52.9	0	0	0	0	114.3
29	Q	30	Very low	31.5	Very low	181 Å²	181	143.8 Å²	143.8	85%	0.846	80%	0.797	S	S	*	*			trans	-91.8	151.2	-177.6	-58.9	165.5	-78.6	0	0	113.8
30	N	25.9	Very low	30.7	Very low	167 Å²	167	140.3 Å²	140.3	89%	0.893	79%	0.791	S	S	*	*				-176.5	157.4	127.1	-96.5	-11.5	0	0	0	114.2
31	E	28.8	Very low	30.2	Very low	179 Å²	179	139.7 Å²	139.7	84%	0.836	79%	0.789	S	S	*	*			trans	-79.4	-177	174.7	-85.7	-167.8	147.8	0	0	114.1
32	P	38.6	Very low	29.6	Very low	115 Å²	115	137 Å²	137	75%	0.747	79%	0.789	S	S	*	*			cis	-134.1	-173.8	-37.3	35.3	-17.8	0	0	0	112.6
33	S	26.4	Very low	29	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	79%	0.786	S	S	*	*			trans	-144.8	156.5	162.9	61.9	0	0	0	0	112.7
34	P	38.3	Very low	29.8	Very low	137 Å²	137	135.8 Å²	135.8	89%	0.89	78%	0.776	S	S	*	*			trans	-101	-166.8	-150.6	40.9	-38.8	0	0	0	115.8
35	A	24.7	Very low	29.5	Very low	86 Å²	86	132.9 Å²	132.9	71%	0.711	77%	0.766	S	S	*	*			trans	-140	169.9	-169	0	0	0	0	0	114.8
36	I	28.2	Very low	29	Very low	158 Å²	158	135.8 Å²	135.8	81%	0.81	77%	0.766	S	S	*	*			trans	80.2	127	160.4	-55.5	161.4	0	0	0	118.8
37	I	26.5	Very low	29	Very low	150 Å²	150	138.3 Å²	138.3	77%	0.769	78%	0.775	S	S	*	*			trans	170.7	107.9	135.9	-89.1	159.1	0	0	0	105.6
38	S	23.8	Very low	28.9	Very low	98 Å²	98	133.5 Å²	133.5	69%	0.685	77%	0.767	S	S	*	*				67.8	153.5	82.1	109	0	0	0	0	114
39	S	24.9	Very low	29	Very low	96 Å²	96	134.8 Å²	134.8	67%	0.671	77%	0.765	S	S	*	*			cis	-177.8	160	-0.8	34.2	0	0	0	0	109
40	C	24.8	Very low	29	Very low	103 Å²	103	132.2 Å²	132.2	70%	0.696	76%	0.756	S	S	*	*			cis	-171.9	170.8	-13.9	-95.6	0	0	0	0	109.9
41	D	25.4	Very low	29.2	Very low	148 Å²	148	131.8 Å²	131.8	79%	0.791	75%	0.748	S	S	*	*			trans	67.6	148.1	156.2	-52	-34.7	0	0	0	119.6
42	T	27.3	Very low	29.1	Very low	140 Å²	140	133.4 Å²	133.4	86%	0.859	75%	0.747	S	S	*	*				-160.5	151.1	55.3	-41	0	0	0	0	113.8
43	D	27.3	Very low	28.6	Very low	147 Å²	147	133.4 Å²	133.4	79%	0.786	75%	0.745	S	S	*	*			trans	-105.6	-158.9	177.7	-140.2	-2.8	0	0	0	109.9
44	P	46.8	Very low	28.6	Very low	93 Å²	93	133.1 Å²	133.1	60%	0.604	74%	0.738	S	S	*	*			cis	-137.6	174.3	-6.5	43.4	-26	0	0	0	117.2
45	N	24.9	Very low	28.1	Very low	119 Å²	119	133.9 Å²	133.9	64%	0.636	74%	0.735	S	S	*	*				-177.8	130	117.3	-104.9	-78.3	0	0	0	117.6
46	K	30.7	Very low	28.5	Very low	176 Å²	176	139.1 Å²	139.1	77%	0.765	74%	0.741	S	S	*	*			trans	62.8	100.6	142.9	-72.9	164.7	-173.8	163.3	0	122.8
47	K	30.1	Very low	28.9	Very low	206 Å²	206	137.4 Å²	137.4	90%	0.896	74%	0.741	S	S	*	*				59.5	141.9	105.1	-82.8	-165.4	176.9	-164.4	0	120.6
48	A	28.7	Very low	29.6	Very low	69 Å²	69	136.4 Å²	136.4	57%	0.57	74%	0.744	S	S	*	*			cis	-157.7	168.9	8.4	0	0	0	0	0	114.5
49	D	27	Very low	30	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	75%	0.751	S	S	*	*			trans	66.5	144.1	146.4	-63.5	-20.7	0	0	0	122
50	L	30.8	Very low	30.1	Very low	126 Å²	126	139.2 Å²	139.2	66%	0.66	76%	0.758	S	S	*	*			cis	-168.6	125.4	-20.9	-171.8	70	0	0	0	112.6
51	H	30	Very low	30.3	Very low	158 Å²	158	142.4 Å²	142.4	73%	0.731	77%	0.767	S	S	*	*			trans	62.5	161.7	158.4	-71.2	-24.3	0	0	0	119.2
52	R	26.3	Very low	30.4	Very low	213 Å²	213	139 Å²	139	80%	0.804	77%	0.766	S	S	*	*			cis	-157.9	141.6	5.5	-136.8	-179.1	177.2	163.6	-1.2	114.2
53	V	28	Very low	30.4	Very low	116 Å²	116	140.8 Å²	140.8	70%	0.703	77%	0.771	S	S	*	*			trans	80.3	132.8	133.8	134.1	0	0	0	0	124.5
54	T	26.9	Very low	30.3	Very low	110 Å²	110	136.6 Å²	136.6	68%	0.675	76%	0.763	S	S	*	*			trans	71	84.5	156	51.3	0	0	0	0	123.5
55	D	27.2	Very low	29.3	Very low	153 Å²	153	137.5 Å²	137.5	82%	0.818	77%	0.77	S	S	*	*				48	134.4	95.1	-51.2	-51.9	0	0	0	123.1
56	K	33	Very low	29.6	Very low	195 Å²	195	141.1 Å²	141.1	85%	0.848	78%	0.78	S	S	*	*			trans	-83.3	174.6	152	-59.5	176.9	178.8	175.4	0	109.8
57	P	36.5	Very low	29.5	Very low	123 Å²	123	138.7 Å²	138.7	80%	0.799	79%	0.785	S	S	*	*				-147	-140.6	94.9	44.3	-24.7	0	0	0	112.8
58	P	41.9	Very low	29.4	Very low	128 Å²	128	136 Å²	136	83%	0.831	78%	0.781	S	S	*	*			trans	-128.4	-156.5	-132	36.1	-9.8	0	0	0	114.4
59	A	31.5	Very low	29.5	Very low	101 Å²	101	140.7 Å²	140.7	84%	0.835	80%	0.796	S	S	*	*			trans	-120.7	152.4	175.1	0	0	0	0	0	112.1
60	D	26.1	Very low	30	Very low	153 Å²	153	143.2 Å²	143.2	82%	0.818	80%	0.803	S	S	*	*			trans	-153.2	173.2	164.8	-156.7	-1.6	0	0	0	110.8
61	L	30.7	Very low	30	Very low	169 Å²	169	141.8 Å²	141.8	89%	0.885	81%	0.81	S	S	*	*			trans	-87.9	157.9	-164.2	-70.3	125.9	0	0	0	116
62	G	26.2	Very low	30.4	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	81%	0.811	S	S	*	*			trans	-166	117.7	172.9	0	0	0	0	0	114.3
63	D	28.1	Very low	30.7	Very low	178 Å²	178	141.3 Å²	141.3	95%	0.952	82%	0.816	S	S	*	*			trans	-62.5	167.2	-175.6	-175.4	25.3	0	0	0	116.7
64	G	25.7	Very low	31	Very low	60 Å²	60	143.1 Å²	143.1	62%	0.619	82%	0.817	S	S	*	*			trans	128.5	86	147.4	0	0	0	0	0	121.6
65	C	25.9	Very low	32	Very low	112 Å²	112	145.9 Å²	145.9	76%	0.757	82%	0.82	S	S	*	*			trans	65.6	114.3	138.3	-150.5	0	0	0	0	123.7
66	K	30.5	Very low	33	Very low	194 Å²	194	148.4 Å²	148.4	84%	0.843	82%	0.823	S	S	*	*			trans	32.8	120.1	141.4	-57.6	176.4	-176.1	175	0	121.4
67	S	27.6	Very low	34	Very low	126 Å²	126	144 Å²	144	88%	0.881	80%	0.804	S	S	*	*				178.8	168.8	114.3	45.9	0	0	0	0	113.1
68	N	29.8	Very low	35	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	78%	0.781	S	S	*	*			trans	-69.2	146.2	176.6	-79.3	-17.9	0	0	0	112.5
69	N	29.2	Very low	35.6	Very low	166 Å²	166	140.4 Å²	140.4	89%	0.888	78%	0.781	S	S	*	*				-171.4	148.7	116	-95.1	-34.7	0	0	0	112.9
70	Q	37.5	Very low	37.1	Very low	201 Å²	201	138.5 Å²	138.5	94%	0.939	77%	0.771	S	S	*	*			trans	-87.7	126.4	172.1	-68.5	178.5	-10.9	0	0	110.2
71	A	30.4	Very low	39.5	Very low	96 Å²	96	132 Å²	132	79%	0.793	74%	0.737	S	S	*	*			trans	-125.2	93.5	177	0	0	0	0	0	111.6	M73	A71-M73 PolarHBondContact O-N 3.47Å
72	K	38.7	Very low	41.7	Very low	176 Å²	176	126.8 Å²	126.8	77%	0.765	71%	0.712	S	S	*	*			trans	-35.5	119.7	170.4	-176.5	-166.6	-172.4	-141.2	0	114	E74	K72-E74 IonicContact NZ-OE1 3.51Å; K72-E74 PolarHBondContact NZ-OE1 3.28Å
73	M	33.4	Very low	44.3	Very low	185 Å²	185	127 Å²	127	91%	0.911	69%	0.693	S	S	*	*			trans	-104.5	137.2	161.9	-86.5	-164.8	169.2	0	0	111.2	A71	A71-M73 PolarHBondContact O-N 3.47Å
74	E	34.9	Very low	46.9	Very low	153 Å²	153	120.2 Å²	120.2	72%	0.715	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-92.6	134.6	-175.4	-58.3	-170.2	146.8	0	0	111.6	K72	K72-E74 IonicContact NZ-OE1 3.51Å; K72-E74 PolarHBondContact NZ-OE1 3.28Å
75	K	46.2	Very low	49.6	Very low	169 Å²	169	122.1 Å²	122.1	74%	0.735	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-82.5	123.4	-177.9	-68.7	176.2	179.5	172.3	0	110.2
76	K	50.1	Low	52.4	Low	205 Å²	205	117 Å²	117	89%	0.891	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-62.6	138.5	170.8	-68.7	-175.3	177.7	-178.7	0	110.7
77	K	52.8	Low	54.9	Low	103 Å²	103	108.7 Å²	108.7	45%	0.448	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-71	135.5	-178.1	178.7	172.3	179.9	177.8	0	111.9	T81 F124	K77-T81 WeakPolarHBondContact CE-O 3.31Å; K77-T81 WeakPolarHBondContact CE-OG1 3.27Å; K77-T81 PolarHBondContact NZ-O 3.21Å; K77-F124 HydrophobicContact CB-CE1 4.16Å; K77-F124 HydrophobicContact CD-CD1 4.26Å; K77-F124 HydrophobicContact CD-CE1 3.88Å; K77-F124 HydrophobicContact CG-CD1 3.97Å; K77-F124 HydrophobicContact CG-CE1 3.66Å; K77-F124 HydrophobicContact CG-CZ 4.48Å
78	P	58.5	Low	57	Low	47 Å²	47	107.6 Å²	107.6	31%	0.305	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-74.5	144.1	173.9	29.6	-33.2	0	0	0	111.9	T81	P78-T81 HydrophobicContact CG-CG2 3.97Å; P78-T81 PolarHBondContact O-OG1 3.16Å
79	P	53.2	Low	59.2	Low	129 Å²	129	107.7 Å²	107.7	84%	0.838	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	151.9	179	28.4	-35.2	0	0	0	111.9
80	G	64.5	Low	61.7	Low	61 Å²	61	101.6 Å²	101.6	63%	0.629	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	21.2	179.3	0	0	0	0	0	115.5	D127	G80-D127 PolarHBondContact O-N 2.85Å
81	T	75.1	Confident	63.9	Low	16 Å²	16	94.8 Å²	94.8	10%	0.098	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	146.7	-179.3	64.1	0	0	0	0	114.3	K77 P78 F124 V125	K77-T81 WeakPolarHBondContact CE-O 3.31Å; K77-T81 WeakPolarHBondContact CE-OG1 3.27Å; K77-T81 PolarHBondContact NZ-O 3.21Å; P78-T81 HydrophobicContact CG-CG2 3.97Å; P78-T81 PolarHBondContact O-OG1 3.16Å; T81-F124 HydrophobicContact CG2-CB 4.36Å; T81-V125 CarbonylContact C-O 3.6Å; T81-V125 VanDerWaalsContact CA-O 3.28Å; T81-V125 WeakPolarHBondContact CA-O 3.49Å; T81-V125 WeakPolarHBondContact CB-O 3.48Å
82	V	78.3	Confident	66.5	Low	60 Å²	60	90.7 Å²	90.7	36%	0.364	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	150	171.5	-175.5	0	0	0	0	108.8	F124 V125 D127	V82-F124 WeakPolarHBondContact O-CA 3.5Å; V82-V125 PolarHBondContact N-O 2.84Å; V82-V125 PolarHBondContact O-N 3.08Å; V82-D127 HydrophobicContact CG2-CB 3.92Å
83	E	81	Confident	68.6	Low	80 Å²	80	86.7 Å²	86.7	37%	0.374	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.6	172.2	-79.9	172.3	-127.9	0	0	110.3	K122 L123 F124	E83-K122 IonicContact OE2-NZ 3.65Å; E83-K122 PolarHBondContact OE2-NZ 3.41Å; E83-L123 WeakPolarHBondContact CA-O 3.27Å; E83-F124 HydrophobicContact CG-CD1 3.76Å; E83-F124 HydrophobicContact CG-CE1 3.47Å; E83-F124 VanDerWaalsContact CG-CE1 3.47Å; E83-F124 HydrophobicContact CG-CZ 4.38Å
84	F	80.8	Confident	71	Confident	35 Å²	35	79.8 Å²	79.8	15%	0.154	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.8	171.6	-175.8	-102.8	0	0	0	110	D90 I95 F99 K122 L123 V125	F84-D90 WeakPolarHBondContact CZ-OD2 3.46Å; F84-I95 HydrophobicContact CD1-CD1 4.36Å; F84-I95 HydrophobicContact CD1-CG1 4.37Å; F84-I95 HydrophobicContact CD1-CG2 3.96Å; F84-I95 HydrophobicContact CE1-CD1 4.08Å; F84-I95 HydrophobicContact CE1-CG1 3.86Å; F84-I95 HydrophobicContact CE1-CG2 4.17Å; F84-F99 HydrophobicContact CB-CE2 4.45Å; F84-F99 HydrophobicContact CB-CZ 4.39Å; F84-F99 AromaticContact CD2-CE2 3.79Å; F84-F99 HydrophobicContact CD2-CE2 3.79Å; F84-F99 AromaticContact CD2-CZ 3.74Å; F84-F99 HydrophobicContact CD2-CZ 3.74Å; F84-F99 HydrophobicContact CE2-CE2 4.2Å; F84-F99 HydrophobicContact CE2-CZ 4.37Å; F84-F99 AromaticContact CG-CE2 4Å; F84-F99 HydrophobicContact CG-CE2 4Å; F84-F99 HydrophobicContact CG-CZ 4.19Å; F84-K122 WeakPolarHBondContact O-CA 3.07Å; F84-L123 PolarHBondContact N-O 2.88Å; F84-L123 PolarHBondContact O-N 3.34Å; F84-V125 HydrophobicContact CB-CG2 3.75Å
85	I	84.2	Confident	73.3	Confident	101 Å²	101	72.5 Å²	72.5	52%	0.518	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.5	175.8	-57.7	176.2	0	0	0	107.9	G87 K122	I85-G87 PolarHBondContact O-N 2.77Å; I85-K122 HydrophobicContact CG1-CG 4.35Å
86	V	84.4	Confident	75.2	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.024	37%	0.37	C	S	.	.			trans	-64.9	123.3	-178.6	179	0	0	0	0	110.3	D90 I95 V117 Y118 G120 Q121 L123	V86-D90 HydrophobicContact CG1-CB 3.91Å; V86-I95 HydrophobicContact CB-CD1 4.49Å; V86-I95 HydrophobicContact CG1-CD1 4.29Å; V86-I95 HydrophobicContact CG2-CD1 3.8Å; V86-V117 HydrophobicContact CG1-CB 4.33Å; V86-V117 HydrophobicContact CG1-CG2 3.98Å; V86-V117 HydrophobicContact CG2-CB 4.28Å; V86-V117 HydrophobicContact CG2-CG2 4.49Å; V86-Y118 WeakPolarHBondContact CB-O 3.47Å; V86-Y118 WeakPolarHBondContact CG1-O 3.43Å; V86-G120 PolarHBondContact O-N 3.19Å; V86-Q121 HydrophobicContact CB-CB 4.42Å; V86-Q121 HydrophobicContact CG2-CB 4.12Å; V86-Q121 WeakPolarHBondContact CG2-O 3.47Å; V86-Q121 PolarHBondContact N-O 2.7Å; V86-L123 HydrophobicContact CG2-CD1 3.57Å; V86-L123 HydrophobicContact CG2-CG 3.95Å
87	G	81.6	Confident	76.7	Confident	19 Å²	19	61 Å²	61	20%	0.196	36%	0.36	C	S	.	.			trans	-72.9	174.2	171.9	0	0	0	0	0	114.1	I85 D89 D90	I85-G87 PolarHBondContact O-N 2.77Å; G87-D89 VanDerWaalsContact C-N 3.31Å; G87-D89 PolarHBondContact O-N 3.46Å; G87-D90 PolarHBondContact N-OD2 3.4Å; G87-D90 PolarHBondContact O-N 3.42Å
88	P	72.6	Confident	78	Confident	104 Å²	104	62.3 Å²	62.3	68%	0.675	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-38.4	177.5	23	-31.5	0	0	0	113.3
89	D	76	Confident	79.1	Confident	152 Å²	152	62.2 Å²	62.2	81%	0.813	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	6.5	-176.9	-47.7	-73	0	0	0	113.1	G87 S91	G87-D89 VanDerWaalsContact C-N 3.31Å; G87-D89 PolarHBondContact O-N 3.46Å; D89-S91 PolarHBondContact O-N 3.39Å
90	D	81.3	Confident	80.3	Confident	37 Å²	37	63.5 Å²	63.5	20%	0.198	36%	0.361	C	S	.	.			trans	-81.5	108.7	-178	-93.6	-41.5	0	0	0	111.7	F84 V86 G87 I95	F84-D90 WeakPolarHBondContact CZ-OD2 3.46Å; V86-D90 HydrophobicContact CG1-CB 3.91Å; G87-D90 PolarHBondContact N-OD2 3.4Å; G87-D90 PolarHBondContact O-N 3.42Å; D90-I95 HydrophobicContact CB-CD1 4.09Å; D90-I95 HydrophobicContact CB-CG1 3.99Å
91	S	84.1	Confident	81.1	Confident	58 Å²	58	61.9 Å²	61.9	41%	0.406	34%	0.337	S	S	.	.			trans	-81.6	158.4	168.1	72.5	0	0	0	0	111.7	D89 N93 S94 I95	D89-S91 PolarHBondContact O-N 3.39Å; S91-N93 PolarHBondContact O-N 3.48Å; S91-N93 VanDerWaalsContact O-N 3.08Å; S91-N93 PolarHBondContact OG-N 3.29Å; S91-S94 PolarHBondContact N-OG 3.47Å; S91-S94 PolarHBondContact O-N 2.76Å; S91-S94 VanDerWaalsContact O-N 3.13Å; S91-S94 PolarHBondContact O-OG 3.4Å; S91-S94 PolarHBondContact OG-N 3.18Å; S91-S94 PolarHBondContact OG-OG 3.1Å; S91-S94 VanDerWaalsContact OG-OG 3.11Å; S91-I95 WeakPolarHBondContact O-CG1 3.37Å; S91-I95 PolarHBondContact O-N 2.93Å
92	I	84.2	Confident	81.5	Confident	11 Å²	11	65.4 Å²	65.4	6%	0.056	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-25.5	174.3	-157.3	164	0	0	0	112.7	A96 L106 V107 L112 R115 V117	I92-A96 WeakPolarHBondContact O-CB 3.44Å; I92-A96 PolarHBondContact O-N 3.41Å; I92-A96 VanDerWaalsContact O-N 3.09Å; I92-L106 HydrophobicContact CG1-CD2 3.94Å; I92-L106 HydrophobicContact CG1-CG 4.5Å; I92-V107 HydrophobicContact CD1-CG2 3.37Å; I92-L112 HydrophobicContact CD1-CD1 3.76Å; I92-R115 WeakPolarHBondContact CG2-O 3.47Å; I92-V117 HydrophobicContact CB-CG1 4.29Å; I92-V117 HydrophobicContact CB-CG2 4.35Å; I92-V117 HydrophobicContact CD1-CG1 4.04Å; I92-V117 HydrophobicContact CG1-CG1 4.23Å
93	N	83.1	Confident	81.7	Confident	91 Å²	91	64.5 Å²	64.5	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-78.3	-40.9	176.9	-69	-9.5	0	0	0	112.2	S91 A96 L97 P103	S91-N93 PolarHBondContact O-N 3.48Å; S91-N93 VanDerWaalsContact O-N 3.08Å; S91-N93 PolarHBondContact OG-N 3.29Å; N93-A96 PolarHBondContact O-N 3.18Å; N93-L97 VanDerWaalsContact O-CG 3.31Å; N93-L97 WeakPolarHBondContact O-CG 3.34Å; N93-L97 PolarHBondContact O-N 3.39Å; N93-P103 WeakPolarHBondContact OD1-CB 3.4Å; N93-P103 VanDerWaalsContact OD1-CG 3.22Å; N93-P103 WeakPolarHBondContact OD1-CG 3.39Å
94	S	84.1	Confident	81.8	Confident	40 Å²	40	64.7 Å²	64.7	28%	0.28	36%	0.358	S	S	.	.	H	α-helix	trans	-67.6	-39.2	176.9	56.2	0	0	0	0	111.4	S91 L97 K98	S91-S94 PolarHBondContact N-OG 3.47Å; S91-S94 PolarHBondContact O-N 2.76Å; S91-S94 VanDerWaalsContact O-N 3.13Å; S91-S94 PolarHBondContact O-OG 3.4Å; S91-S94 PolarHBondContact OG-N 3.18Å; S91-S94 PolarHBondContact OG-OG 3.1Å; S91-S94 VanDerWaalsContact OG-OG 3.11Å; S94-L97 PolarHBondContact O-N 3.11Å; S94-K98 WeakPolarHBondContact O-CB 3.34Å; S94-K98 PolarHBondContact O-N 3.26Å
95	I	84.5	Confident	81.8	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-44.4	172.2	-56.5	166.8	0	0	0	110.5	F84 V86 D90 S91 L97 K98 F99 L106 V117 L123	F84-I95 HydrophobicContact CD1-CD1 4.36Å; F84-I95 HydrophobicContact CD1-CG1 4.37Å; F84-I95 HydrophobicContact CD1-CG2 3.96Å; F84-I95 HydrophobicContact CE1-CD1 4.08Å; F84-I95 HydrophobicContact CE1-CG1 3.86Å; F84-I95 HydrophobicContact CE1-CG2 4.17Å; V86-I95 HydrophobicContact CB-CD1 4.49Å; V86-I95 HydrophobicContact CG1-CD1 4.29Å; V86-I95 HydrophobicContact CG2-CD1 3.8Å; D90-I95 HydrophobicContact CB-CD1 4.09Å; D90-I95 HydrophobicContact CB-CG1 3.99Å; S91-I95 WeakPolarHBondContact O-CG1 3.37Å; S91-I95 PolarHBondContact O-N 2.93Å; I95-L97 PolarHBondContact O-N 2.97Å; I95-K98 PolarHBondContact O-N 2.8Å; I95-F99 HydrophobicContact CG2-CD2 4.26Å; I95-F99 HydrophobicContact CG2-CE2 4.42Å; I95-F99 WeakPolarHBondContact O-CD2 3.16Å; I95-F99 PolarHBondContact O-N 2.75Å; I95-L106 HydrophobicContact CB-CD2 4.02Å; I95-L106 HydrophobicContact CG2-CD2 3.75Å; I95-V117 HydrophobicContact CD1-CG2 4.38Å; I95-L123 HydrophobicContact CD1-CD1 3.91Å
96	A	84.4	Confident	81.7	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-44.5	179.2	0	0	0	0	0	112.2	I92 N93 F99 N100 I101 P103 L106	I92-A96 WeakPolarHBondContact O-CB 3.44Å; I92-A96 PolarHBondContact O-N 3.41Å; I92-A96 VanDerWaalsContact O-N 3.09Å; N93-A96 PolarHBondContact O-N 3.18Å; A96-F99 CarbonylContact O-C 3.59Å; A96-F99 PolarHBondContact O-N 3.33Å; A96-N100 PolarHBondContact O-N 3.03Å; A96-I101 CarbonylContact C-O 3.38Å; A96-I101 HydrophobicContact CB-CG2 4.2Å; A96-I101 WeakPolarHBondContact CB-O 3.48Å; A96-I101 WeakPolarHBondContact O-CG2 3.45Å; A96-I101 PolarHBondContact O-N 3.12Å; A96-I101 VanDerWaalsContact O-O 3.07Å; A96-P103 HydrophobicContact CB-CB 4.26Å; A96-P103 HydrophobicContact CB-CG 3.78Å; A96-L106 HydrophobicContact CB-CD2 4.17Å
97	L	81.8	Confident	81.6	Confident	133 Å²	133	64.3 Å²	64.3	70%	0.696	35%	0.354	S	S	*	.	H	α-helix	trans	-63.1	-44.1	173.9	-70.5	167.4	0	0	0	112.4	N93 S94 I95 F99 N100	N93-L97 VanDerWaalsContact O-CG 3.31Å; N93-L97 WeakPolarHBondContact O-CG 3.34Å; N93-L97 PolarHBondContact O-N 3.39Å; S94-L97 PolarHBondContact O-N 3.11Å; I95-L97 PolarHBondContact O-N 2.97Å; L97-F99 PolarHBondContact O-N 3.44Å; L97-F99 VanDerWaalsContact O-N 3.07Å; L97-N100 PolarHBondContact O-N 3.48Å
98	K	80.7	Confident	81.6	Confident	130 Å²	130	69.5 Å²	69.5	57%	0.565	37%	0.373	S	S	*	.	H	α-helix	trans	-59.6	-20.4	-179	-172.6	174.2	-174.7	174.5	0	114.2	S94 I95	S94-K98 WeakPolarHBondContact O-CB 3.34Å; S94-K98 PolarHBondContact O-N 3.26Å; I95-K98 PolarHBondContact O-N 2.8Å
99	F	81.4	Confident	81.9	Confident	45 Å²	45	67.2 Å²	67.2	20%	0.197	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	22.2	177.3	-65.5	-92.7	0	0	0	112.9	F84 I95 A96 L97 I101 V125 V128	F84-F99 HydrophobicContact CB-CE2 4.45Å; F84-F99 HydrophobicContact CB-CZ 4.39Å; F84-F99 AromaticContact CD2-CE2 3.79Å; F84-F99 HydrophobicContact CD2-CE2 3.79Å; F84-F99 AromaticContact CD2-CZ 3.74Å; F84-F99 HydrophobicContact CD2-CZ 3.74Å; F84-F99 HydrophobicContact CE2-CE2 4.2Å; F84-F99 HydrophobicContact CE2-CZ 4.37Å; F84-F99 AromaticContact CG-CE2 4Å; F84-F99 HydrophobicContact CG-CE2 4Å; F84-F99 HydrophobicContact CG-CZ 4.19Å; I95-F99 HydrophobicContact CG2-CD2 4.26Å; I95-F99 HydrophobicContact CG2-CE2 4.42Å; I95-F99 WeakPolarHBondContact O-CD2 3.16Å; I95-F99 PolarHBondContact O-N 2.75Å; A96-F99 CarbonylContact O-C 3.59Å; A96-F99 PolarHBondContact O-N 3.33Å; L97-F99 PolarHBondContact O-N 3.44Å; L97-F99 VanDerWaalsContact O-N 3.07Å; F99-I101 HydrophobicContact CB-CG2 4.35Å; F99-I101 PolarHBondContact O-N 3.36Å; F99-I101 VanDerWaalsContact O-N 3.09Å; F99-V125 HydrophobicContact CB-CG1 3.42Å; F99-V125 VanDerWaalsContact CB-CG1 3.42Å; F99-V125 HydrophobicContact CD1-CB 4.35Å; F99-V125 HydrophobicContact CD1-CG1 3.78Å; F99-V125 HydrophobicContact CD2-CB 4.46Å; F99-V125 HydrophobicContact CD2-CG1 3.66Å; F99-V125 HydrophobicContact CE1-CG1 4.41Å; F99-V125 HydrophobicContact CE2-CG1 4.3Å; F99-V125 HydrophobicContact CG-CB 4.3Å; F99-V125 HydrophobicContact CG-CG1 3.35Å; F99-V128 HydrophobicContact CD1-CG2 4.3Å
100	N	78.1	Confident	82.1	Confident	156 Å²	156	60.9 Å²	60.9	83%	0.834	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	39.1	177.5	-76.6	-31.1	0	0	0	115	A96 L97	A96-N100 PolarHBondContact O-N 3.03Å; L97-N100 PolarHBondContact O-N 3.48Å
101	I	81.4	Confident	82.2	Confident	27 Å²	27	67.2 Å²	67.2	14%	0.138	35%	0.347	C	S	.	.			trans	-117.3	154.3	-179.8	-171.8	170.4	0	0	0	110.2	A96 F99 K105 L106 L109 P126	A96-I101 CarbonylContact C-O 3.38Å; A96-I101 HydrophobicContact CB-CG2 4.2Å; A96-I101 WeakPolarHBondContact CB-O 3.48Å; A96-I101 WeakPolarHBondContact O-CG2 3.45Å; A96-I101 PolarHBondContact O-N 3.12Å; A96-I101 VanDerWaalsContact O-O 3.07Å; F99-I101 HydrophobicContact CB-CG2 4.35Å; F99-I101 PolarHBondContact O-N 3.36Å; F99-I101 VanDerWaalsContact O-N 3.09Å; I101-K105 HydrophobicContact CD1-CB 4.05Å; I101-K105 HydrophobicContact CD1-CG 3.81Å; I101-K105 HydrophobicContact CG1-CB 3.85Å; I101-K105 HydrophobicContact CG1-CG 4.01Å; I101-L106 HydrophobicContact CG2-CB 4.41Å; I101-L109 HydrophobicContact CD1-CD1 3.49Å; I101-L109 VanDerWaalsContact CD1-CD1 3.49Å; I101-P126 HydrophobicContact CD1-CG 3.88Å
102	T	84.4	Confident	81.9	Confident	89 Å²	89	66 Å²	66	55%	0.546	34%	0.335	S	S	.	.			trans	-78.5	143.1	173.4	62.8	0	0	0	0	111.2	N104 K105 L106	T102-N104 VanDerWaalsContact C-N 3.25Å; T102-N104 PolarHBondContact O-N 3.1Å; T102-K105 PolarHBondContact O-N 3.42Å; T102-K105 WeakPolarHBondContact OG1-CB 3.39Å; T102-K105 PolarHBondContact OG1-N 3.32Å; T102-L106 PolarHBondContact O-N 3.39Å
103	P	82.4	Confident	81.2	Confident	42 Å²	42	76.1 Å²	76.1	27%	0.273	38%	0.38	S	S	.	.	H	α-helix	trans	-55.5	-37.9	-179.9	-27.3	33.7	0	0	0	113.5	N93 A96 K105 L106 V107	N93-P103 WeakPolarHBondContact OD1-CB 3.4Å; N93-P103 VanDerWaalsContact OD1-CG 3.22Å; N93-P103 WeakPolarHBondContact OD1-CG 3.39Å; A96-P103 HydrophobicContact CB-CB 4.26Å; A96-P103 HydrophobicContact CB-CG 3.78Å; P103-K105 VanDerWaalsContact C-N 3.34Å; P103-K105 PolarHBondContact O-N 3.03Å; P103-L106 PolarHBondContact O-N 2.82Å; P103-V107 WeakPolarHBondContact O-CG2 3.43Å; P103-V107 PolarHBondContact O-N 3.22Å
104	N	81.4	Confident	80.5	Confident	83 Å²	83	74.3 Å²	74.3	44%	0.444	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-38.2	175.2	-71.8	-18.8	0	0	0	112.5	T102 V107 Q108 R115	T102-N104 VanDerWaalsContact C-N 3.25Å; T102-N104 PolarHBondContact O-N 3.1Å; N104-V107 PolarHBondContact O-N 2.96Å; N104-Q108 VanDerWaalsContact O-CG 3.26Å; N104-Q108 WeakPolarHBondContact O-CG 3.46Å; N104-Q108 PolarHBondContact O-N 3.24Å; N104-R115 PolarHBondContact OD1-NH2 3.22Å
105	K	80.8	Confident	79.9	Confident	107 Å²	107	80.4 Å²	80.4	47%	0.465	39%	0.394	S	S	.	.	H	α-helix	trans	-72	-35	177.5	-169.9	72	174.5	-175.5	0	111.4	I101 T102 P103 Q108 L109	I101-K105 HydrophobicContact CD1-CB 4.05Å; I101-K105 HydrophobicContact CD1-CG 3.81Å; I101-K105 HydrophobicContact CG1-CB 3.85Å; I101-K105 HydrophobicContact CG1-CG 4.01Å; T102-K105 PolarHBondContact O-N 3.42Å; T102-K105 WeakPolarHBondContact OG1-CB 3.39Å; T102-K105 PolarHBondContact OG1-N 3.32Å; P103-K105 VanDerWaalsContact C-N 3.34Å; P103-K105 PolarHBondContact O-N 3.03Å; K105-Q108 PolarHBondContact O-N 3.3Å; K105-L109 WeakPolarHBondContact O-CB 3.15Å; K105-L109 WeakPolarHBondContact O-CG 3.2Å; K105-L109 PolarHBondContact O-N 3.33Å
106	L	82.8	Confident	79.5	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-65.3	-41.6	173	-174.6	63.2	0	0	0	112.2	I92 I95 A96 I101 T102 P103 N110 V125	I92-L106 HydrophobicContact CG1-CD2 3.94Å; I92-L106 HydrophobicContact CG1-CG 4.5Å; I95-L106 HydrophobicContact CB-CD2 4.02Å; I95-L106 HydrophobicContact CG2-CD2 3.75Å; A96-L106 HydrophobicContact CB-CD2 4.17Å; I101-L106 HydrophobicContact CG2-CB 4.41Å; T102-L106 PolarHBondContact O-N 3.39Å; P103-L106 PolarHBondContact O-N 2.82Å; L106-N110 PolarHBondContact O-N 2.66Å; L106-N110 PolarHBondContact O-ND2 3.19Å; L106-V125 HydrophobicContact CD1-CG1 4.23Å; L106-V125 HydrophobicContact CD1-CG2 4.06Å
107	V	83.4	Confident	79.3	Confident	26 Å²	26	84.6 Å²	84.6	16%	0.158	42%	0.422	C	S	.	.	H	α-helix	trans	-57.2	-48.6	169.9	165.9	0	0	0	0	111.2	I92 P103 N104 N110 K111 L112 R115	I92-V107 HydrophobicContact CD1-CG2 3.37Å; P103-V107 WeakPolarHBondContact O-CG2 3.43Å; P103-V107 PolarHBondContact O-N 3.22Å; N104-V107 PolarHBondContact O-N 2.96Å; V107-N110 PolarHBondContact O-N 3.47Å; V107-K111 WeakPolarHBondContact O-CA 3.35Å; V107-K111 PolarHBondContact O-N 3.43Å; V107-L112 HydrophobicContact CG1-CB 4.28Å; V107-L112 PolarHBondContact O-N 3.15Å; V107-R115 HydrophobicContact CG2-CG 4.33Å
108	Q	81.1	Confident	79.2	Confident	127 Å²	127	85.9 Å²	85.9	59%	0.593	42%	0.419	S	S	*	.	H	α-helix	trans	-63.8	-46.6	-179	-75.3	170.8	-5.5	0	0	112.9	N104 K105 N110 K111	N104-Q108 VanDerWaalsContact O-CG 3.26Å; N104-Q108 WeakPolarHBondContact O-CG 3.46Å; N104-Q108 PolarHBondContact O-N 3.24Å; K105-Q108 PolarHBondContact O-N 3.3Å; Q108-N110 PolarHBondContact O-N 3.27Å; Q108-K111 PolarHBondContact O-N 2.87Å
109	L	79.3	Confident	79.1	Confident	56 Å²	56	83.5 Å²	83.5	29%	0.293	42%	0.417	S	S	.	.	H	α-helix	trans	-55.9	-40.2	177.4	-79.7	169.1	0	0	0	112	I101 K105 P126	I101-L109 HydrophobicContact CD1-CD1 3.49Å; I101-L109 VanDerWaalsContact CD1-CD1 3.49Å; K105-L109 WeakPolarHBondContact O-CB 3.15Å; K105-L109 WeakPolarHBondContact O-CG 3.2Å; K105-L109 PolarHBondContact O-N 3.33Å; L109-P126 HydrophobicContact CD1-CG 4.24Å
110	N	80.4	Confident	78.6	Confident	20 Å²	20	84 Å²	84	11%	0.107	43%	0.434	C	S	.	.	H	α-helix	trans	-91.6	-7.3	-176.9	-72.5	-74.3	0	0	0	114	L106 V107 Q108 L112 L123 F124	L106-N110 PolarHBondContact O-N 2.66Å; L106-N110 PolarHBondContact O-ND2 3.19Å; V107-N110 PolarHBondContact O-N 3.47Å; Q108-N110 PolarHBondContact O-N 3.27Å; N110-L112 HydrophobicContact CB-CD1 4.27Å; N110-L112 HydrophobicContact CB-CD2 3.93Å; N110-L112 HydrophobicContact CB-CG 3.71Å; N110-L112 PolarHBondContact O-N 3.31Å; N110-L123 HydrophobicContact CB-CD2 4.01Å; N110-L123 VanDerWaalsContact OD1-CA 3.3Å; N110-L123 WeakPolarHBondContact OD1-CA 3.23Å; N110-F124 PolarHBondContact ND2-O 3.22Å; N110-F124 PolarHBondContact OD1-N 3.14Å
111	K	82	Confident	78.8	Confident	170 Å²	170	79 Å²	79	74%	0.739	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	46	-171.9	-55.8	-173	179	-172.4	0	111.7	V107 Q108	V107-K111 WeakPolarHBondContact O-CA 3.35Å; V107-K111 PolarHBondContact O-N 3.43Å; Q108-K111 PolarHBondContact O-N 2.87Å
112	L	78.7	Confident	78.9	Confident	31 Å²	31	83.8 Å²	83.8	16%	0.162	43%	0.426	C	S	.	.			trans	-72.7	134.6	177.1	-57.7	179.1	0	0	0	110	I92 V107 N110 A114 V117 Q121 L123	I92-L112 HydrophobicContact CD1-CD1 3.76Å; V107-L112 HydrophobicContact CG1-CB 4.28Å; V107-L112 PolarHBondContact O-N 3.15Å; N110-L112 HydrophobicContact CB-CD1 4.27Å; N110-L112 HydrophobicContact CB-CD2 3.93Å; N110-L112 HydrophobicContact CB-CG 3.71Å; N110-L112 PolarHBondContact O-N 3.31Å; L112-A114 VanDerWaalsContact C-N 3.29Å; L112-A114 WeakPolarHBondContact CB-O 3.2Å; L112-V117 HydrophobicContact CD1-CG1 3.81Å; L112-Q121 VanDerWaalsContact CD2-NE2 3.35Å; L112-L123 HydrophobicContact CD1-CD2 4.07Å; L112-L123 HydrophobicContact CD2-CD2 4.05Å
113	F	68.8	Low	78.9	Confident	225 Å²	225	79.6 Å²	79.6	99%	0.987	40%	0.4	S	S	*	.	S	Bend	trans	-79.8	-13.6	-179.1	-138.7	-87.5	0	0	0	113.1
114	A	69.1	Low	78.9	Confident	52 Å²	52	79.7 Å²	79.7	43%	0.43	40%	0.396	S	S	.	.	S	Bend	trans	-143.8	168.3	178.7	0	0	0	0	0	110.2	L112 S116	L112-A114 VanDerWaalsContact C-N 3.29Å; L112-A114 WeakPolarHBondContact CB-O 3.2Å; A114-S116 VanDerWaalsContact C-N 3.3Å
115	R	71.2	Confident	78.8	Confident	169 Å²	169	75.8 Å²	75.8	64%	0.638	38%	0.375	S	S	*	.	S	Bend	trans	-82.7	-2.3	174	-73.8	179.1	172.1	154.5	-2	113.8	I92 N104 V107	I92-R115 WeakPolarHBondContact CG2-O 3.47Å; N104-R115 PolarHBondContact OD1-NH2 3.22Å; V107-R115 HydrophobicContact CG2-CG 4.33Å
116	S	76.3	Confident	78.5	Confident	67 Å²	67	72.8 Å²	72.8	47%	0.469	37%	0.366	S	S	.	.			trans	-81.7	144.2	171.3	44.8	0	0	0	0	111.4	A114	A114-S116 VanDerWaalsContact C-N 3.3Å
117	V	80.6	Confident	77.9	Confident	21 Å²	21	76.8 Å²	76.8	13%	0.127	39%	0.388	C	S	.	.			trans	-129.1	149.2	172.5	-69	0	0	0	0	108.3	V86 I92 I95 L112 L123	V86-V117 HydrophobicContact CG1-CB 4.33Å; V86-V117 HydrophobicContact CG1-CG2 3.98Å; V86-V117 HydrophobicContact CG2-CB 4.28Å; V86-V117 HydrophobicContact CG2-CG2 4.49Å; I92-V117 HydrophobicContact CB-CG1 4.29Å; I92-V117 HydrophobicContact CB-CG2 4.35Å; I92-V117 HydrophobicContact CD1-CG1 4.04Å; I92-V117 HydrophobicContact CG1-CG1 4.23Å; I95-V117 HydrophobicContact CD1-CG2 4.38Å; L112-V117 HydrophobicContact CD1-CG1 3.81Å; V117-L123 HydrophobicContact CG1-CD1 4.09Å
118	Y	78.4	Confident	76.9	Confident	160 Å²	160	80.2 Å²	80.2	63%	0.627	41%	0.409	S	S	*	.			trans	-108.1	143.7	-177.4	-62.1	-81.8	0	0	0	111.3	V86 G120 Q121	V86-Y118 WeakPolarHBondContact CB-O 3.47Å; V86-Y118 WeakPolarHBondContact CG1-O 3.43Å; Y118-G120 PolarHBondContact O-N 2.87Å; Y118-Q121 WeakPolarHBondContact O-CB 3.37Å; Y118-Q121 PolarHBondContact O-N 2.95Å
119	P	78.1	Confident	75.3	Confident	81 Å²	81	78.6 Å²	78.6	53%	0.526	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	136.2	172.9	-27.4	36.9	0	0	0	112	Q121	P119-Q121 VanDerWaalsContact C-N 3.28Å; P119-Q121 PolarHBondContact O-N 3.22Å
120	G	71.8	Confident	74	Confident	54 Å²	54	84.7 Å²	84.7	56%	0.557	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-5.1	-173.5	0	0	0	0	0	115.2	V86 Y118	V86-G120 PolarHBondContact O-N 3.19Å; Y118-G120 PolarHBondContact O-N 2.87Å
121	Q	83.1	Confident	72.2	Confident	52 Å²	52	87.9 Å²	87.9	24%	0.243	47%	0.467	C	S	.	.			trans	-67	135.7	174.6	-174.5	173	-6.6	0	0	110.9	V86 L112 Y118 P119 L123	V86-Q121 HydrophobicContact CB-CB 4.42Å; V86-Q121 HydrophobicContact CG2-CB 4.12Å; V86-Q121 WeakPolarHBondContact CG2-O 3.47Å; V86-Q121 PolarHBondContact N-O 2.7Å; L112-Q121 VanDerWaalsContact CD2-NE2 3.35Å; Y118-Q121 WeakPolarHBondContact O-CB 3.37Å; Y118-Q121 PolarHBondContact O-N 2.95Å; P119-Q121 VanDerWaalsContact C-N 3.28Å; P119-Q121 PolarHBondContact O-N 3.22Å; Q121-L123 HydrophobicContact CG-CD2 4.33Å
122	K	82.4	Confident	69.9	Low	128 Å²	128	88.1 Å²	88.1	56%	0.557	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	132.7	171	-74.9	-172	162.2	-152.8	0	110.9	E83 F84 I85	E83-K122 IonicContact OE2-NZ 3.65Å; E83-K122 PolarHBondContact OE2-NZ 3.41Å; F84-K122 WeakPolarHBondContact O-CA 3.07Å; I85-K122 HydrophobicContact CG1-CG 4.35Å
123	L	83.9	Confident	67.7	Low	0 Å²	0	93.5 Å²	93.5	0%	0	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.2	174.1	-60.6	176.6	0	0	0	110.7	E83 F84 V86 I95 N110 L112 V117 Q121 V125	E83-L123 WeakPolarHBondContact CA-O 3.27Å; F84-L123 PolarHBondContact N-O 2.88Å; F84-L123 PolarHBondContact O-N 3.34Å; V86-L123 HydrophobicContact CG2-CD1 3.57Å; V86-L123 HydrophobicContact CG2-CG 3.95Å; I95-L123 HydrophobicContact CD1-CD1 3.91Å; N110-L123 HydrophobicContact CB-CD2 4.01Å; N110-L123 VanDerWaalsContact OD1-CA 3.3Å; N110-L123 WeakPolarHBondContact OD1-CA 3.23Å; L112-L123 HydrophobicContact CD1-CD2 4.07Å; L112-L123 HydrophobicContact CD2-CD2 4.05Å; V117-L123 HydrophobicContact CG1-CD1 4.09Å; Q121-L123 HydrophobicContact CG-CD2 4.33Å; L123-V125 HydrophobicContact CB-CG2 4.47Å
124	F	82.4	Confident	66	Low	45 Å²	45	90.2 Å²	90.2	20%	0.197	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.5	168.7	-58.4	-74.9	0	0	0	109.9	K77 T81 V82 E83 N110	K77-F124 HydrophobicContact CB-CE1 4.16Å; K77-F124 HydrophobicContact CD-CD1 4.26Å; K77-F124 HydrophobicContact CD-CE1 3.88Å; K77-F124 HydrophobicContact CG-CD1 3.97Å; K77-F124 HydrophobicContact CG-CE1 3.66Å; K77-F124 HydrophobicContact CG-CZ 4.48Å; T81-F124 HydrophobicContact CG2-CB 4.36Å; V82-F124 WeakPolarHBondContact O-CA 3.5Å; E83-F124 HydrophobicContact CG-CD1 3.76Å; E83-F124 HydrophobicContact CG-CE1 3.47Å; E83-F124 VanDerWaalsContact CG-CE1 3.47Å; E83-F124 HydrophobicContact CG-CZ 4.38Å; N110-F124 PolarHBondContact ND2-O 3.22Å; N110-F124 PolarHBondContact OD1-N 3.14Å
125	V	79.3	Confident	64.6	Low	0 Å²	0	93.8 Å²	93.8	0%	0	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.9	-176.1	-159.2	0	0	0	0	108.7	T81 V82 F84 F99 L106 L123	T81-V125 CarbonylContact C-O 3.6Å; T81-V125 VanDerWaalsContact CA-O 3.28Å; T81-V125 WeakPolarHBondContact CA-O 3.49Å; T81-V125 WeakPolarHBondContact CB-O 3.48Å; V82-V125 PolarHBondContact N-O 2.84Å; V82-V125 PolarHBondContact O-N 3.08Å; F84-V125 HydrophobicContact CB-CG2 3.75Å; F99-V125 HydrophobicContact CB-CG1 3.42Å; F99-V125 VanDerWaalsContact CB-CG1 3.42Å; F99-V125 HydrophobicContact CD1-CB 4.35Å; F99-V125 HydrophobicContact CD1-CG1 3.78Å; F99-V125 HydrophobicContact CD2-CB 4.46Å; F99-V125 HydrophobicContact CD2-CG1 3.66Å; F99-V125 HydrophobicContact CE1-CG1 4.41Å; F99-V125 HydrophobicContact CE2-CG1 4.3Å; F99-V125 HydrophobicContact CG-CB 4.3Å; F99-V125 HydrophobicContact CG-CG1 3.35Å; L106-V125 HydrophobicContact CD1-CG1 4.23Å; L106-V125 HydrophobicContact CD1-CG2 4.06Å; L123-V125 HydrophobicContact CB-CG2 4.47Å
126	P	76.1	Confident	62.6	Low	44 Å²	44	95.5 Å²	95.5	29%	0.286	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	149.7	-178.3	-25.3	36.1	0	0	0	113.6	I101 L109	I101-P126 HydrophobicContact CD1-CG 3.88Å; L109-P126 HydrophobicContact CD1-CG 4.24Å
127	D	69.4	Low	60.5	Low	85 Å²	85	97.5 Å²	97.5	46%	0.455	54%	0.543	S	S	.	.			trans	-76.9	136.9	168.3	-158	-38.1	0	0	0	110.2	G80 V82 S129	G80-D127 PolarHBondContact O-N 2.85Å; V82-D127 HydrophobicContact CG2-CB 3.92Å; D127-S129 VanDerWaalsContact OD1-CB 3.32Å; D127-S129 WeakPolarHBondContact OD1-CB 3.19Å; D127-S129 PolarHBondContact OD1-N 2.89Å; D127-S129 PolarHBondContact OD1-OG 2.89Å
128	V	62.3	Low	58.4	Low	98 Å²	98	102.5 Å²	102.5	59%	0.594	58%	0.576	S	S	*	*			trans	-107.1	1.2	-173.7	-163.9	0	0	0	0	111.2	F99 Q130	F99-V128 HydrophobicContact CD1-CG2 4.3Å; V128-Q130 PolarHBondContact O-N 3.01Å
129	S	48.6	Very low	55.8	Low	93 Å²	93	101.6 Å²	101.6	65%	0.65	59%	0.587	S	S	*	*	S	Bend	trans	-87.6	11.6	-167.8	62.5	0	0	0	0	117	D127	D127-S129 VanDerWaalsContact OD1-CB 3.32Å; D127-S129 WeakPolarHBondContact OD1-CB 3.19Å; D127-S129 PolarHBondContact OD1-N 2.89Å; D127-S129 PolarHBondContact OD1-OG 2.89Å
130	Q	51	Low	53.4	Low	184 Å²	184	102.6 Å²	102.6	86%	0.86	60%	0.602	S	S	*	*	S	Bend	trans	-124	26.5	-170.1	-63.3	-162.3	-20	0	0	116.1	V128	V128-Q130 PolarHBondContact O-N 3.01Å
131	A	41.7	Very low	51.3	Low	86 Å²	86	105.2 Å²	105.2	71%	0.711	61%	0.613	S	S	*	*			trans	-138.1	57.2	-170.8	0	0	0	0	0	115.3
132	E	35.6	Very low	48.5	Very low	176 Å²	176	110.6 Å²	110.6	82%	0.822	64%	0.643	S	S	*	*			trans	-147.9	103.2	172.6	-78.5	-63.5	173.9	0	0	112.6
133	T	31.4	Very low	45.9	Very low	144 Å²	144	109.5 Å²	109.5	88%	0.883	66%	0.657	S	S	*	*			trans	-171.1	100.1	155.1	21.9	0	0	0	0	112.6
134	D	34.1	Very low	43.1	Very low	155 Å²	155	113.7 Å²	113.7	83%	0.829	69%	0.687	S	S	*	*			trans	-81.3	161.3	166.6	-88.9	-27.9	0	0	0	112.8
135	P	39.1	Very low	40.4	Very low	128 Å²	128	120.4 Å²	120.4	83%	0.831	72%	0.716	S	S	*	*				-140.8	173.2	116.3	37.9	-24.8	0	0	0	116.3
136	K	28.6	Very low	37.9	Very low	204 Å²	204	125.9 Å²	125.9	89%	0.887	75%	0.75	S	S	*	*			trans	-83.3	165.8	-162.3	-62.1	170.2	-180	173.5	0	116.4
137	S	33.2	Very low	35.5	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	78%	0.779	S	S	*	*			trans	-66.6	165.6	171	56.2	0	0	0	0	115.2
138	P	35.2	Very low	33.4	Very low	127 Å²	127	130.9 Å²	130.9	83%	0.825	79%	0.79	S	S	*	*				-137.9	166.5	119.1	39.5	-30	0	0	0	115.1
139	T	25.2	Very low	31.6	Very low	140 Å²	140	133 Å²	133	86%	0.859	80%	0.802	S	S	*	*			trans	-92.4	147.3	177.3	-53.6	0	0	0	0	112.3
140	A	27.4	Very low	30.6	Very low	102 Å²	102	132.9 Å²	132.9	84%	0.843	80%	0.802	S	S	*	*			trans	-148.3	165.8	162.2	0	0	0	0	0	110.9
141	S	26.7	Very low	29.4	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	79%	0.794	S	S	*	*			trans	-120.6	168.5	-161.7	55.1	0	0	0	0	115.4
142	D	24.5	Very low	28.7	Very low	165 Å²	165	135.1 Å²	135.1	88%	0.882	80%	0.799	S	S	*	*			trans	12.6	124.4	160.9	-71.7	-45.1	0	0	0	120.9
143	A	28.8	Very low	28.6	Very low	104 Å²	104	131.5 Å²	131.5	86%	0.86	79%	0.791	S	S	*	*			trans	-154.5	139.8	140.3	0	0	0	0	0	111
144	S	25.1	Very low	28.3	Very low	88 Å²	88	131.7 Å²	131.7	62%	0.615	79%	0.785	S	S	*	*			trans	-86.9	156.9	170.2	51.8	0	0	0	0	111.9
145	F	24.8	Very low	27.9	Very low	186 Å²	186	131 Å²	131	82%	0.816	78%	0.777	S	S	*	*				163.7	145.9	119.3	-88.2	-62.9	0	0	0	115
146	T	28.1	Very low	27	Very low	116 Å²	116	130.8 Å²	130.8	71%	0.712	77%	0.769	S	S	*	*			trans	57.3	111.1	151	53.5	0	0	0	0	123.1
147	N	25	Very low	26.8	Very low	168 Å²	168	125.8 Å²	125.8	90%	0.898	76%	0.759	S	S	*	*				33.1	134.6	120.8	-60.9	5.4	0	0	0	122.7
148	G	25.5	Very low	26.4	Very low	66 Å²	66	125.7 Å²	125.7	68%	0.68	75%	0.753	S	S	*	*			trans	138.6	117.7	163.1	0	0	0	0	0	110
149	V	24.6	Very low	26	Very low	141 Å²	141	127.9 Å²	127.9	86%	0.855	75%	0.753	S	S	*	*			cis	54.5	110.2	48.2	-167.9	0	0	0	0	109.2
150	S	26.1	Very low	26	Very low	91 Å²	91	126.6 Å²	126.6	64%	0.636	75%	0.749	S	S	*	*			cis	-158.1	173.7	40.9	-139.1	0	0	0	0	114.9
151	D	27.2	Very low	25.9	Very low	131 Å²	131	127.2 Å²	127.2	70%	0.701	75%	0.746	S	S	*	*			trans	46.2	112.9	147.9	-59.3	-53.9	0	0	0	123.2
152	K	25.8	Very low	26	Very low	187 Å²	187	134.1 Å²	134.1	81%	0.813	76%	0.756	S	S	*	*				25.1	157.1	103.3	-77.7	-175.8	179.2	179.8	0	119.9
153	P	34.7	Very low	26.2	Very low	100 Å²	100	131.6 Å²	131.6	65%	0.649	75%	0.751	S	S	*	*			cis	-140.8	-160.4	-17.4	32.4	-7.6	0	0	0	113.3
154	L	23.9	Very low	26.2	Very low	147 Å²	147	131.5 Å²	131.5	77%	0.77	75%	0.75	S	S	*	*			trans	69.6	156.8	171.2	-81.9	80.9	0	0	0	117.1
155	Q	25.7	Very low	26.4	Very low	141 Å²	141	136.7 Å²	136.7	66%	0.659	76%	0.761	S	S	*	*			cis	-174.2	150.2	-30	164.3	168.7	-14.6	0	0	108.2
156	D	21.9	Very low	26.6	Very low	124 Å²	124	133.6 Å²	133.6	66%	0.663	76%	0.763	S	S	*	*			trans	66.3	146.5	165.9	-83.6	-42	0	0	0	116.9
157	C	23.8	Very low	26.6	Very low	98 Å²	98	135.6 Å²	135.6	66%	0.662	77%	0.768	S	S	*	*			cis	-157	-170.7	-9.7	-150.6	0	0	0	0	110.8
158	T	24.7	Very low	26.6	Very low	107 Å²	107	136.5 Å²	136.5	66%	0.656	76%	0.758	S	S	*	*			trans	69.4	116.8	153.8	48.2	0	0	0	0	121.3
159	Q	27.6	Very low	26.5	Very low	174 Å²	174	145 Å²	145	81%	0.813	77%	0.77	S	S	*	*				79.1	97.6	126.6	-65.5	174.4	0.9	0	0	121.5
160	S	24.1	Very low	26.7	Very low	112 Å²	112	144.9 Å²	144.9	78%	0.783	76%	0.76	S	S	*	*				87.5	171.1	111.4	-154.5	0	0	0	0	120.2
161	C	26.4	Very low	26.7	Very low	115 Å²	115	150.6 Å²	150.6	78%	0.777	77%	0.774	S	S	*	*			trans	70.9	84.3	167.1	-67.2	0	0	0	0	118.6
162	R	27.5	Very low	26.7	Very low	256 Å²	256	149.6 Å²	149.6	97%	0.966	78%	0.777	S	S	*	*			trans	-25.5	135.2	143.5	-62.1	171.8	173.5	172.6	-4.2	113.4
163	S	28.6	Very low	26.9	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	77%	0.774	S	S	*	*			trans	-148.2	105.1	158.2	-168.5	0	0	0	0	111.1
164	A	28.7	Very low	26.9	Very low	103 Å²	103	149.5 Å²	149.5	85%	0.851	79%	0.786	S	S	*	*			trans	-77.1	136.3	179.7	0	0	0	0	0	111.4
165	K	30.8	Very low	27.3	Very low	196 Å²	196	147.4 Å²	147.4	85%	0.852	78%	0.784	S	S	*	*			trans	-111.4	116.2	168.6	-76.1	-177.5	176.5	176.2	0	109.9
166	S	27.5	Very low	28.1	Very low	121 Å²	121	150.6 Å²	150.6	85%	0.846	80%	0.799	S	S	*	*			trans	-78.7	140.3	177	55.4	0	0	0	0	111.6
167	I	29.5	Very low	28.6	Very low	158 Å²	158	152 Å²	152	81%	0.81	81%	0.806	S	S	*	*			trans	-119.7	100.7	174.4	-60.4	-176.3	0	0	0	110.6
168	R	24.2	Very low	29.9	Very low	187 Å²	187	153.7 Å²	153.7	71%	0.706	80%	0.804	S	S	*	*			trans	26	119.5	134.5	-155.2	164.5	-176.7	-84.5	-12.7	117.8	E170	R168-E170 IonicContact CZ-OE1 2.78Å; R168-E170 IonicContact NH1-OE1 3.2Å; R168-E170 PolarHBondContact NH1-OE1 2.98Å; R168-E170 IonicContact NH1-OE2 2.67Å; R168-E170 IonicContact NH2-OE1 2.7Å; R168-E170 PolarHBondContact NH2-OE1 2.68Å
169	R	24.2	Very low	30.3	Very low	246 Å²	246	151.9 Å²	151.9	93%	0.928	80%	0.796	S	S	*	*			trans	-84.4	131.2	165.1	-105.1	179.8	-86.1	137.3	-9.7	110.6
170	E	26.8	Very low	30.9	Very low	137 Å²	137	147.7 Å²	147.7	64%	0.64	78%	0.784	S	S	*	*			trans	-136.2	167.5	154.4	-74.6	-167.4	175.7	0	0	108.8	R168	R168-E170 IonicContact CZ-OE1 2.78Å; R168-E170 IonicContact NH1-OE1 3.2Å; R168-E170 PolarHBondContact NH1-OE1 2.98Å; R168-E170 IonicContact NH1-OE2 2.67Å; R168-E170 IonicContact NH2-OE1 2.7Å; R168-E170 PolarHBondContact NH2-OE1 2.68Å
171	F	26.8	Very low	31.7	Very low	211 Å²	211	145.7 Å²	145.7	93%	0.925	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-87.3	141.4	-171.5	-69.5	-95.6	0	0	0	112.3
172	S	27	Very low	32.6	Very low	111 Å²	111	145.2 Å²	145.2	78%	0.776	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-82.1	147.5	173.3	-52.9	0	0	0	0	112
173	P	29.7	Very low	33.8	Very low	114 Å²	114	135.6 Å²	135.6	74%	0.74	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-76.6	166.3	160.7	34.9	-34.6	0	0	0	111.2
174	N	34.8	Very low	35.3	Very low	170 Å²	170	137.1 Å²	137.1	91%	0.909	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-83.4	122.5	171.2	-66.6	7	0	0	0	110.4
175	S	33.2	Very low	37.4	Very low	103 Å²	103	137.4 Å²	137.4	72%	0.72	71%	0.713	S	S	*	*			trans	-155	133.4	162.2	54.8	0	0	0	0	109.7	D177	S175-D177 PolarHBondContact O-N 3.43Å
176	E	42.3	Very low	39.7	Very low	209 Å²	209	128.5 Å²	128.5	98%	0.977	67%	0.674	S	S	*	*			trans	-84.5	97.6	176.5	-66.6	160.4	124	0	0	109.2
177	D	32.3	Very low	42.3	Very low	153 Å²	153	128.6 Å²	128.6	82%	0.818	66%	0.66	S	S	*	*			trans	-149.5	125.8	166.2	-162.7	-0.2	0	0	0	108	S175	S175-D177 PolarHBondContact O-N 3.43Å
178	E	50.4	Low	44.8	Very low	133 Å²	133	121.5 Å²	121.5	62%	0.621	62%	0.623	S	S	*	*			trans	-109.5	121.2	-163.5	-167.6	158.1	-146.8	0	0	111.7	R554	E178-R554 IonicContact OE1-CZ 3.39Å; E178-R554 IonicContact OE1-NH1 2.71Å; E178-R554 PolarHBondContact OE1-NH1 2.84Å; E178-R554 IonicContact OE1-NH2 2.84Å; E178-R554 PolarHBondContact OE1-NH2 2.98Å; E178-R554 IonicContact OE2-NH1 3.37Å
179	S	33.2	Very low	47.5	Very low	69 Å²	69	116.1 Å²	116.1	48%	0.483	61%	0.614	S	S	.	*			trans	-155.8	126.7	176.2	-78.6	0	0	0	0	109.7	A181	S179-A181 PolarHBondContact O-N 3.36Å; S179-A181 VanDerWaalsContact O-N 3.08Å
180	P	40.7	Very low	50.3	Low	87 Å²	87	104.9 Å²	104.9	57%	0.565	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-65.1	-21.1	-167.2	23.2	-33.6	0	0	0	114.6	T182	P180-T182 VanDerWaalsContact C-N 3.26Å; P180-T182 PolarHBondContact O-N 2.8Å; P180-T182 VanDerWaalsContact O-N 3.13Å
181	A	41	Very low	52.9	Low	70 Å²	70	104.4 Å²	104.4	58%	0.579	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-68.5	-9	-173.1	0	0	0	0	0	116.4	S179	S179-A181 PolarHBondContact O-N 3.36Å; S179-A181 VanDerWaalsContact O-N 3.08Å
182	T	46.2	Very low	55.7	Low	105 Å²	105	95.6 Å²	95.6	64%	0.644	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-122.3	-10.5	-174.7	59.5	0	0	0	0	114.6	P180 K184	P180-T182 VanDerWaalsContact C-N 3.26Å; P180-T182 PolarHBondContact O-N 2.8Å; P180-T182 VanDerWaalsContact O-N 3.13Å; T182-K184 PolarHBondContact O-N 3.25Å
183	V	52.4	Low	58.3	Low	54 Å²	54	92 Å²	92	33%	0.327	50%	0.5	S	S	.	.			trans	-83.8	98.4	-165.1	-179.9	0	0	0	0	111.4	F185 F561 W565	V183-F185 WeakPolarHBondContact CG1-O 3.37Å; V183-F185 PolarHBondContact O-N 2.7Å; V183-F185 VanDerWaalsContact O-N 3.14Å; V183-F561 WeakPolarHBondContact O-CE2 3.48Å; V183-W565 VanDerWaalsContact O-CE2 3.24Å; V183-W565 PolarHBondContact O-NE1 2.91Å
184	K	59.3	Low	60.6	Low	142 Å²	142	86.8 Å²	86.8	62%	0.617	47%	0.466	S	S	*	.	S	Bend	trans	-68.7	-5.8	-177.1	-72.6	172.7	-178.7	170.4	0	115.7	T182 P208 W565	T182-K184 PolarHBondContact O-N 3.25Å; K184-P208 WeakPolarHBondContact O-CD 3.15Å; K184-W565 HydrophobicContact CB-CH2 4.37Å; K184-W565 HydrophobicContact CG-CH2 3.46Å; K184-W565 VanDerWaalsContact CG-CH2 3.46Å; K184-W565 HydrophobicContact CG-CZ2 4.09Å; K184-W565 HydrophobicContact CG-CZ3 3.83Å
185	F	73.5	Confident	62.3	Low	109 Å²	109	80.8 Å²	80.8	48%	0.478	43%	0.434	S	S	.	.	S	Bend	trans	-163	138.2	177.2	60	-84.9	0	0	0	109.8	V183 K187 I205 V206 T207	V183-F185 WeakPolarHBondContact CG1-O 3.37Å; V183-F185 PolarHBondContact O-N 2.7Å; V183-F185 VanDerWaalsContact O-N 3.14Å; F185-K187 HydrophobicContact CD2-CB 4.47Å; F185-K187 HydrophobicContact CE2-CB 4.41Å; F185-I205 HydrophobicContact CB-CG2 4.46Å; F185-I205 HydrophobicContact CD2-CG2 4.05Å; F185-V206 CarbonylContact C-O 3.56Å; F185-V206 VanDerWaalsContact CA-O 3.24Å; F185-V206 WeakPolarHBondContact CA-O 3.35Å; F185-V206 WeakPolarHBondContact CB-O 3.45Å; F185-T207 HydrophobicContact CB-CG2 3.82Å
186	I	79.2	Confident	63.6	Low	9 Å²	9	79.4 Å²	79.4	5%	0.046	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	143	164.7	-77.2	-179.3	0	0	0	109.5	M188 I205 V206 S557 L558 F561	I186-M188 HydrophobicContact CG2-CE 3.52Å; I186-I205 CarbonylContact O-C 3.6Å; I186-I205 VanDerWaalsContact O-CA 3.3Å; I186-I205 WeakPolarHBondContact O-CA 3.4Å; I186-V206 HydrophobicContact CB-CB 4.41Å; I186-V206 PolarHBondContact N-O 2.87Å; I186-V206 PolarHBondContact O-N 2.75Å; I186-S557 VanDerWaalsContact CD1-O 3.31Å; I186-S557 WeakPolarHBondContact CD1-O 3.35Å; I186-L558 HydrophobicContact CD1-CD2 4.15Å; I186-L558 HydrophobicContact CD1-CG 4.24Å; I186-L558 HydrophobicContact CG2-CD2 4.43Å; I186-F561 HydrophobicContact CD1-CB 3.35Å; I186-F561 HydrophobicContact CD1-CD1 4.25Å; I186-F561 HydrophobicContact CD1-CD2 4.27Å; I186-F561 HydrophobicContact CD1-CG 3.72Å; I186-F561 HydrophobicContact CG1-CB 3.96Å; I186-F561 HydrophobicContact CG1-CD1 4.35Å; I186-F561 HydrophobicContact CG1-CD2 3.9Å; I186-F561 HydrophobicContact CG1-CG 3.81Å
187	K	81.7	Confident	64.7	Low	124 Å²	124	73.9 Å²	73.9	54%	0.539	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.8	164.1	179.5	178.7	171.2	-178.1	0	108.6	F185 V203 L204 I205	F185-K187 HydrophobicContact CD2-CB 4.47Å; F185-K187 HydrophobicContact CE2-CB 4.41Å; K187-V203 HydrophobicContact CD-CG1 4.12Å; K187-V203 HydrophobicContact CG-CG1 3.61Å; K187-L204 WeakPolarHBondContact CA-O 3.44Å; K187-I205 HydrophobicContact CG-CG1 4.39Å
188	M	81.9	Confident	66.6	Low	9 Å²	9	67.8 Å²	67.8	4%	0.044	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	157.3	174.2	74.9	-163.8	76.8	0	0	110.3	I186 C190 V203 L204 V206 V550 L558	I186-M188 HydrophobicContact CG2-CE 3.52Å; M188-C190 HydrophobicContact CG-CB 4.47Å; M188-V203 CarbonylContact O-C 3.51Å; M188-V203 VanDerWaalsContact O-CA 3.31Å; M188-V203 WeakPolarHBondContact O-CA 3.25Å; M188-V203 WeakPolarHBondContact O-CG1 3.34Å; M188-L204 HydrophobicContact CE-CB 4.38Å; M188-L204 HydrophobicContact CE-CD2 3.93Å; M188-L204 HydrophobicContact CE-CG 4.42Å; M188-L204 HydrophobicContact CG-CB 3.88Å; M188-L204 PolarHBondContact N-O 2.89Å; M188-L204 PolarHBondContact O-N 2.96Å; M188-L204 HydrophobicContact SD-CB 4.16Å; M188-L204 HydrophobicContact SD-CD2 3.95Å; M188-V206 HydrophobicContact CE-CG2 4.22Å; M188-V550 HydrophobicContact SD-CB 4.35Å; M188-V550 HydrophobicContact SD-CG1 3.57Å; M188-V550 VanDerWaalsContact SD-CG1 3.57Å; M188-V550 HydrophobicContact SD-CG2 3.81Å; M188-L558 HydrophobicContact CE-CD1 3.7Å; M188-L558 HydrophobicContact CE-CD2 3.72Å; M188-L558 HydrophobicContact CE-CG 3.88Å; M188-L558 HydrophobicContact SD-CD1 4.12Å
189	S	79.9	Confident	68.1	Low	74 Å²	74	63.9 Å²	63.9	52%	0.517	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	142.2	158.3	43.3	0	0	0	0	109.7	G202 P551	S189-G202 WeakPolarHBondContact CA-O 3.42Å; S189-P551 WeakPolarHBondContact O-CD 3.08Å
190	C	83.4	Confident	70.5	Confident	9 Å²	9	60.6 Å²	60.6	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	171.8	175.7	70.7	0	0	0	0	110.6	M188 G202 F213 A549 V550	M188-C190 HydrophobicContact CG-CB 4.47Å; C190-G202 PolarHBondContact N-O 2.89Å; C190-G202 PolarHBondContact O-N 2.82Å; C190-F213 WeakPolarHBondContact SG-CE2 3.34Å; C190-A549 WeakPolarHBondContact CA-O 3.45Å; C190-A549 WeakPolarHBondContact CB-O 3.2Å; C190-V550 HydrophobicContact CB-CG2 4.12Å
191	K	82.8	Confident	72.5	Confident	128 Å²	128	57.1 Å²	57.1	56%	0.557	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	116.4	172.8	-64.2	-177.6	-179.6	-179.5	0	109.9	F193 V199 V200 F548 A549	K191-F193 WeakPolarHBondContact O-CD2 3.28Å; K191-V199 HydrophobicContact CB-CG1 3.72Å; K191-V199 HydrophobicContact CD-CG1 4.3Å; K191-V199 HydrophobicContact CG-CG1 4.47Å; K191-V200 CarbonylContact C-O 3.59Å; K191-V200 WeakPolarHBondContact CA-O 3.43Å; K191-F548 CarbonylContact O-C 3.56Å; K191-F548 VanDerWaalsContact O-CA 3.25Å; K191-F548 WeakPolarHBondContact O-CA 3.11Å; K191-A549 HydrophobicContact CB-CB 4.38Å; K191-A549 PolarHBondContact N-O 3.48Å; K191-A549 PolarHBondContact O-N 2.92Å
192	Y	84.3	Confident	74.7	Confident	26 Å²	26	53.8 Å²	53.8	10%	0.102	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	129.8	177.8	172.5	-131.8	0	0	0	110.6	T194 V199 V200 F213 L232 Y546 W547 F548	Y192-T194 HydrophobicContact CD1-CG2 3.76Å; Y192-T194 HydrophobicContact CE1-CG2 3.36Å; Y192-V199 CarbonylContact O-C 3.58Å; Y192-V199 WeakPolarHBondContact O-CA 3.43Å; Y192-V200 PolarHBondContact N-O 2.83Å; Y192-V200 PolarHBondContact O-N 3.17Å; Y192-F213 VanDerWaalsContact CB-CZ 3.46Å; Y192-F213 HydrophobicContact CD1-CD1 4.33Å; Y192-F213 AromaticContact CD1-CE1 3.94Å; Y192-F213 HydrophobicContact CD1-CE1 3.94Å; Y192-F213 HydrophobicContact CG-CD1 4.44Å; Y192-F213 HydrophobicContact CG-CE1 4.09Å; Y192-F213 HydrophobicContact CG-CZ 4.42Å; Y192-L232 HydrophobicContact CD1-CD1 4.35Å; Y192-L232 HydrophobicContact CD2-CD1 4.34Å; Y192-L232 HydrophobicContact CE1-CD1 3.87Å; Y192-L232 HydrophobicContact CE2-CD1 3.89Å; Y192-Y546 AromaticContact CE2-CD1 3.94Å; Y192-Y546 HydrophobicContact CE2-CD1 3.94Å; Y192-Y546 WeakPolarHBondContact OH-CD1 3.34Å; Y192-W547 WeakPolarHBondContact CD2-O 3.32Å; Y192-F548 AromaticContact CD2-CD1 3.93Å; Y192-F548 HydrophobicContact CD2-CD1 3.93Å; Y192-F548 AromaticContact CD2-CE1 3.49Å; Y192-F548 HydrophobicContact CD2-CE1 3.49Å; Y192-F548 VanDerWaalsContact CD2-CE1 3.49Å; Y192-F548 HydrophobicContact CD2-CE2 4.3Å; Y192-F548 AromaticContact CD2-CZ 3.71Å; Y192-F548 HydrophobicContact CD2-CZ 3.71Å; Y192-F548 HydrophobicContact CE2-CE1 4.43Å; Y192-F548 HydrophobicContact CE2-CZ 4.23Å; Y192-F548 HydrophobicContact CG-CD1 4.2Å; Y192-F548 AromaticContact CG-CE1 3.76Å; Y192-F548 HydrophobicContact CG-CE1 3.76Å; Y192-F548 HydrophobicContact CG-CZ 4.36Å
193	F	82.1	Confident	76.5	Confident	35 Å²	35	50 Å²	50	15%	0.154	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.7	177.8	-69.5	-105.3	0	0	0	110	K191 V199 V248 M251 F512 W547 A549	K191-F193 WeakPolarHBondContact O-CD2 3.28Å; F193-V199 HydrophobicContact CD1-CG2 3.56Å; F193-V199 HydrophobicContact CE1-CG1 4.41Å; F193-V199 HydrophobicContact CE1-CG2 3.6Å; F193-V199 HydrophobicContact CE2-CG1 4.43Å; F193-V199 HydrophobicContact CG-CG2 4.23Å; F193-V199 HydrophobicContact CZ-CG1 4.33Å; F193-V199 HydrophobicContact CZ-CG2 4.31Å; F193-V248 HydrophobicContact CD1-CG2 4.31Å; F193-V248 HydrophobicContact CE1-CG2 4.05Å; F193-V248 HydrophobicContact CZ-CG2 4.35Å; F193-M251 HydrophobicContact CB-CE 4.12Å; F193-M251 HydrophobicContact CB-SD 3.85Å; F193-M251 HydrophobicContact CD1-SD 4.49Å; F193-M251 HydrophobicContact CG-SD 4.44Å; F193-F512 HydrophobicContact CE2-CD1 4.19Å; F193-F512 HydrophobicContact CE2-CE1 4.14Å; F193-F512 HydrophobicContact CZ-CD1 4.34Å; F193-F512 AromaticContact CZ-CE1 3.88Å; F193-F512 HydrophobicContact CZ-CE1 3.88Å; F193-W547 HydrophobicContact CB-CB 4.11Å; F193-W547 PolarHBondContact N-O 3.4Å; F193-A549 HydrophobicContact CE2-CB 3.8Å; F193-A549 HydrophobicContact CZ-CB 4.38Å
194	T	78.1	Confident	78.1	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.031	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.5	179.6	56.1	0	0	0	0	111	Y192 G196 M197 G198 Y230	Y192-T194 HydrophobicContact CD1-CG2 3.76Å; Y192-T194 HydrophobicContact CE1-CG2 3.36Å; T194-G196 PolarHBondContact O-N 2.96Å; T194-M197 VanDerWaalsContact OG1-C 3.27Å; T194-M197 WeakPolarHBondContact OG1-CB 3.46Å; T194-G198 PolarHBondContact N-O 3Å; T194-G198 PolarHBondContact OG1-N 3.44Å; T194-G198 VanDerWaalsContact OG1-N 3.14Å; T194-G198 PolarHBondContact OG1-O 3.44Å; T194-Y230 HydrophobicContact CG2-CD1 3.83Å; T194-Y230 HydrophobicContact CG2-CE1 3.96Å
195	D	69.9	Low	79.4	Confident	43 Å²	43	42.2 Å²	42.2	23%	0.23	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	117.3	175.7	-128.9	-34.9	0	0	0	109.3	M197 L253 K254	D195-M197 PolarHBondContact O-N 2.88Å; D195-L253 WeakPolarHBondContact OD1-CA 3.48Å; D195-L253 WeakPolarHBondContact OD1-CD2 3.28Å; D195-K254 PolarHBondContact OD1-N 2.8Å; D195-K254 WeakPolarHBondContact OD2-CD 3.23Å; D195-K254 VanDerWaalsContact OD2-CG 3.22Å; D195-K254 WeakPolarHBondContact OD2-CG 3.16Å; D195-K254 IonicContact OD2-NZ 3.25Å; D195-K254 PolarHBondContact OD2-NZ 3.17Å
196	G	60.1	Low	79.9	Confident	74 Å²	74	37 Å²	37	76%	0.763	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	-22.8	179.9	0	0	0	0	0	117.4	T194	T194-G196 PolarHBondContact O-N 2.96Å
197	M	65.9	Low	80	Confident	93 Å²	93	38 Å²	38	46%	0.458	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-6.7	-171.3	-65.2	-176.5	-68.3	0	0	115.1	T194 D195 L221 Y230	T194-M197 VanDerWaalsContact OG1-C 3.27Å; T194-M197 WeakPolarHBondContact OG1-CB 3.46Å; D195-M197 PolarHBondContact O-N 2.88Å; M197-L221 VanDerWaalsContact O-CD1 3.27Å; M197-L221 WeakPolarHBondContact O-CD1 3.39Å; M197-L221 WeakPolarHBondContact O-CD2 3.08Å; M197-Y230 HydrophobicContact CE-CE1 4.41Å
198	G	72.9	Confident	79.4	Confident	25 Å²	25	34.1 Å²	34.1	26%	0.258	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	104.1	-149.2	176.6	0	0	0	0	0	114.4	T194	T194-G198 PolarHBondContact N-O 3Å; T194-G198 PolarHBondContact OG1-N 3.44Å; T194-G198 VanDerWaalsContact OG1-N 3.14Å; T194-G198 PolarHBondContact OG1-O 3.44Å
199	V	80.9	Confident	79	Confident	51 Å²	51	38.8 Å²	38.8	31%	0.309	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	124.5	-169	-176.6	0	0	0	0	110.6	K191 Y192 F193	K191-V199 HydrophobicContact CB-CG1 3.72Å; K191-V199 HydrophobicContact CD-CG1 4.3Å; K191-V199 HydrophobicContact CG-CG1 4.47Å; Y192-V199 CarbonylContact O-C 3.58Å; Y192-V199 WeakPolarHBondContact O-CA 3.43Å; F193-V199 HydrophobicContact CD1-CG2 3.56Å; F193-V199 HydrophobicContact CE1-CG1 4.41Å; F193-V199 HydrophobicContact CE1-CG2 3.6Å; F193-V199 HydrophobicContact CE2-CG1 4.43Å; F193-V199 HydrophobicContact CG-CG2 4.23Å; F193-V199 HydrophobicContact CZ-CG1 4.33Å; F193-V199 HydrophobicContact CZ-CG2 4.31Å
200	V	84.3	Confident	79.1	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.5	-175.5	175	0	0	0	0	111	K191 Y192 F213 P215 D219 L221 V222 Y230	K191-V200 CarbonylContact C-O 3.59Å; K191-V200 WeakPolarHBondContact CA-O 3.43Å; Y192-V200 PolarHBondContact N-O 2.83Å; Y192-V200 PolarHBondContact O-N 3.17Å; V200-F213 HydrophobicContact CG1-CE1 4.36Å; V200-F213 HydrophobicContact CG1-CZ 4.34Å; V200-P215 HydrophobicContact CG1-CB 3.82Å; V200-D219 WeakPolarHBondContact CA-OD2 3.01Å; V200-L221 HydrophobicContact CG2-CB 3.99Å; V200-L221 HydrophobicContact CG2-CD1 3.79Å; V200-V222 HydrophobicContact CG1-CG2 3.44Å; V200-V222 VanDerWaalsContact CG1-CG2 3.44Å; V200-V222 HydrophobicContact CG2-CG2 4.46Å; V200-Y230 HydrophobicContact CG1-CG 4.44Å; V200-Y230 HydrophobicContact CG2-CD1 3.79Å; V200-Y230 HydrophobicContact CG2-CD2 4.39Å; V200-Y230 HydrophobicContact CG2-CE1 3.97Å; V200-Y230 HydrophobicContact CG2-CG 4Å
201	G	82.8	Confident	79.2	Confident	15 Å²	15	37.6 Å²	37.6	16%	0.155	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	139	170.4	0	0	0	0	0	112.4	H216 D219	G201-H216 WeakPolarHBondContact O-CB 3.31Å; G201-H216 PolarHBondContact O-N 2.59Å; G201-D219 PolarHBondContact N-OD2 2.96Å
202	G	86.7	Confident	79.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-169	176.4	0	0	0	0	0	114.4	S189 C190 F213 D214 H216	S189-G202 WeakPolarHBondContact CA-O 3.42Å; C190-G202 PolarHBondContact N-O 2.89Å; C190-G202 PolarHBondContact O-N 2.82Å; G202-F213 VanDerWaalsContact CA-CE2 3.45Å; G202-D214 CarbonylContact C-O 3.56Å; G202-D214 WeakPolarHBondContact CA-O 3.41Å; G202-H216 VanDerWaalsContact CA-CD2 3.43Å; G202-H216 WeakPolarHBondContact CA-CD2 3.12Å; G202-H216 PolarHBondContact N-CD2 2.84Å
203	V	85.3	Confident	79.6	Confident	24 Å²	24	32.9 Å²	32.9	15%	0.145	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.2	-179.8	178	0	0	0	0	109.2	K187 M188 I205 F213 D214	K187-V203 HydrophobicContact CD-CG1 4.12Å; K187-V203 HydrophobicContact CG-CG1 3.61Å; M188-V203 CarbonylContact O-C 3.51Å; M188-V203 VanDerWaalsContact O-CA 3.31Å; M188-V203 WeakPolarHBondContact O-CA 3.25Å; M188-V203 WeakPolarHBondContact O-CG1 3.34Å; V203-I205 HydrophobicContact CG1-CD1 4.39Å; V203-I205 HydrophobicContact CG1-CG1 3.86Å; V203-F213 WeakPolarHBondContact O-CA 3.22Å; V203-D214 PolarHBondContact N-O 3.45Å; V203-D214 PolarHBondContact O-N 2.9Å
204	L	85.9	Confident	79.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.5	167.7	-169.5	73.1	0	0	0	109.1	K187 M188 V206 I211 M212 F213 L513 F515 F548	K187-L204 WeakPolarHBondContact CA-O 3.44Å; M188-L204 HydrophobicContact CE-CB 4.38Å; M188-L204 HydrophobicContact CE-CD2 3.93Å; M188-L204 HydrophobicContact CE-CG 4.42Å; M188-L204 HydrophobicContact CG-CB 3.88Å; M188-L204 PolarHBondContact N-O 2.89Å; M188-L204 PolarHBondContact O-N 2.96Å; M188-L204 HydrophobicContact SD-CB 4.16Å; M188-L204 HydrophobicContact SD-CD2 3.95Å; L204-V206 HydrophobicContact CD2-CG2 4.13Å; L204-V206 HydrophobicContact CG-CG2 4.16Å; L204-I211 HydrophobicContact CD1-CG2 3.72Å; L204-I211 HydrophobicContact CG-CG2 4.49Å; L204-M212 WeakPolarHBondContact CA-O 3.44Å; L204-F213 HydrophobicContact CD1-CB 4.08Å; L204-L513 HydrophobicContact CD2-CD2 3.9Å; L204-F515 HydrophobicContact CD2-CE2 4.11Å; L204-F515 HydrophobicContact CD2-CZ 4.33Å; L204-F548 HydrophobicContact CD1-CE1 4.31Å; L204-F548 HydrophobicContact CD1-CZ 4.44Å
205	I	86.8	Confident	80.2	Confident	33 Å²	33	34.2 Å²	34.2	17%	0.169	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.4	176.3	-53.9	178.1	0	0	0	107.4	F185 I186 K187 V203 T207 M212	F185-I205 HydrophobicContact CB-CG2 4.46Å; F185-I205 HydrophobicContact CD2-CG2 4.05Å; I186-I205 CarbonylContact O-C 3.6Å; I186-I205 VanDerWaalsContact O-CA 3.3Å; I186-I205 WeakPolarHBondContact O-CA 3.4Å; K187-I205 HydrophobicContact CG-CG1 4.39Å; V203-I205 HydrophobicContact CG1-CD1 4.39Å; V203-I205 HydrophobicContact CG1-CG1 3.86Å; I205-T207 HydrophobicContact CG2-CG2 4.05Å; I205-M212 HydrophobicContact CB-CB 4.4Å; I205-M212 PolarHBondContact N-O 3.21Å; I205-M212 PolarHBondContact O-N 3.33Å
206	V	83.3	Confident	80.9	Confident	1 Å²	1	36 Å²	36	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	112.6	178.2	-172.9	0	0	0	0	108	F185 I186 M188 L204 I211 L558 F561 F562	F185-V206 CarbonylContact C-O 3.56Å; F185-V206 VanDerWaalsContact CA-O 3.24Å; F185-V206 WeakPolarHBondContact CA-O 3.35Å; F185-V206 WeakPolarHBondContact CB-O 3.45Å; I186-V206 HydrophobicContact CB-CB 4.41Å; I186-V206 PolarHBondContact N-O 2.87Å; I186-V206 PolarHBondContact O-N 2.75Å; M188-V206 HydrophobicContact CE-CG2 4.22Å; L204-V206 HydrophobicContact CD2-CG2 4.13Å; L204-V206 HydrophobicContact CG-CG2 4.16Å; V206-I211 HydrophobicContact CG1-CG1 4.16Å; V206-L558 HydrophobicContact CG2-CD2 4.08Å; V206-F561 HydrophobicContact CB-CE1 4.38Å; V206-F561 HydrophobicContact CG1-CD1 4.29Å; V206-F561 HydrophobicContact CG1-CE1 3.87Å; V206-F561 WeakPolarHBondContact O-CZ 3.31Å; V206-F562 HydrophobicContact CG1-CE1 3.73Å; V206-F562 HydrophobicContact CG1-CZ 3.85Å
207	T	81.4	Confident	81.9	Confident	30 Å²	30	40.5 Å²	40.5	18%	0.184	22%	0.218	C	C	.	.			trans	-111.5	158.8	173.5	79.4	0	0	0	0	109.3	F185 I205 N209 N210	F185-T207 HydrophobicContact CB-CG2 3.82Å; I205-T207 HydrophobicContact CG2-CG2 4.05Å; T207-N209 PolarHBondContact O-N 2.99Å; T207-N210 WeakPolarHBondContact CA-O 3.31Å; T207-N210 WeakPolarHBondContact CB-O 3.4Å; T207-N210 PolarHBondContact N-O 2.95Å; T207-N210 PolarHBondContact O-N 2.68Å; T207-N210 VanDerWaalsContact O-O 3.14Å; T207-N210 PolarHBondContact OG1-N 3.11Å; T207-N210 PolarHBondContact OG1-O 3.5Å
208	P	67.8	Low	82.4	Confident	41 Å²	41	40.5 Å²	40.5	27%	0.266	23%	0.228	S	C	.	.	S	Bend	trans	-62.5	-16.8	-178.1	-23.4	35.8	0	0	0	114.5	K184 F561 W565	K184-P208 WeakPolarHBondContact O-CD 3.15Å; P208-F561 HydrophobicContact CG-CZ 4.13Å; P208-W565 HydrophobicContact CG-CB 4.02Å; P208-W565 HydrophobicContact CG-CE3 4.23Å
209	N	74.3	Confident	82.9	Confident	108 Å²	108	40.5 Å²	40.5	58%	0.578	22%	0.222	S	C	*	.	S	Bend	trans	-108.7	-24.5	-179.4	-53.7	-42	0	0	0	113.3	T207 P235 M236	T207-N209 PolarHBondContact O-N 2.99Å; N209-P235 WeakPolarHBondContact O-CA 3.45Å; N209-M236 PolarHBondContact O-N 3.17Å
210	N	81.2	Confident	82.6	Confident	56 Å²	56	42.8 Å²	42.8	30%	0.299	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	140.7	-174.9	-56.2	-92.8	0	0	0	111.4	T207 M212 C234	T207-N210 WeakPolarHBondContact CA-O 3.31Å; T207-N210 WeakPolarHBondContact CB-O 3.4Å; T207-N210 PolarHBondContact N-O 2.95Å; T207-N210 PolarHBondContact O-N 2.68Å; T207-N210 VanDerWaalsContact O-O 3.14Å; T207-N210 PolarHBondContact OG1-N 3.11Å; T207-N210 PolarHBondContact OG1-O 3.5Å; N210-M212 HydrophobicContact CB-CG 4.44Å; N210-C234 CarbonylContact C-O 3.48Å; N210-C234 VanDerWaalsContact CA-O 3.23Å; N210-C234 WeakPolarHBondContact CA-O 3.28Å
211	I	85.9	Confident	82.2	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.8	161.2	-62.4	144.1	0	0	0	107.7	L204 V206 I233 C234 M236 V239 F515	L204-I211 HydrophobicContact CD1-CG2 3.72Å; L204-I211 HydrophobicContact CG-CG2 4.49Å; V206-I211 HydrophobicContact CG1-CG1 4.16Å; I211-I233 WeakPolarHBondContact O-CA 3.37Å; I211-C234 HydrophobicContact CB-CB 4.43Å; I211-C234 PolarHBondContact N-O 2.81Å; I211-C234 PolarHBondContact O-N 2.8Å; I211-M236 HydrophobicContact CD1-SD 3.94Å; I211-M236 HydrophobicContact CG1-SD 4.42Å; I211-V239 HydrophobicContact CD1-CG2 3.66Å; I211-F515 HydrophobicContact CD1-CD1 3.85Å; I211-F515 HydrophobicContact CD1-CE1 3.46Å; I211-F515 VanDerWaalsContact CD1-CE1 3.46Å; I211-F515 HydrophobicContact CD1-CZ 4.21Å; I211-F515 HydrophobicContact CG1-CE1 4.2Å; I211-F515 HydrophobicContact CG2-CZ 4.2Å
212	M	86.1	Confident	82.2	Confident	55 Å²	55	44.1 Å²	44.1	27%	0.271	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138	178.6	-61.4	178.6	55.3	0	0	110.2	L204 I205 N210 L232 I233	L204-M212 WeakPolarHBondContact CA-O 3.44Å; I205-M212 HydrophobicContact CB-CB 4.4Å; I205-M212 PolarHBondContact N-O 3.21Å; I205-M212 PolarHBondContact O-N 3.33Å; N210-M212 HydrophobicContact CB-CG 4.44Å; M212-L232 CarbonylContact C-O 3.58Å; M212-L232 VanDerWaalsContact CA-O 3.3Å; M212-L232 WeakPolarHBondContact CA-O 3.43Å; M212-I233 HydrophobicContact CE-CD1 4.01Å; M212-I233 HydrophobicContact CE-CG1 4.32Å; M212-I233 HydrophobicContact CG-CG1 4.09Å; M212-I233 HydrophobicContact CG-CG2 4.15Å
213	F	89.4	Confident	81.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.7	170.1	174.4	-102.5	0	0	0	109.9	C190 Y192 V200 G202 V203 L204 P215 Y230 G231 L232 F548	C190-F213 WeakPolarHBondContact SG-CE2 3.34Å; Y192-F213 VanDerWaalsContact CB-CZ 3.46Å; Y192-F213 HydrophobicContact CD1-CD1 4.33Å; Y192-F213 AromaticContact CD1-CE1 3.94Å; Y192-F213 HydrophobicContact CD1-CE1 3.94Å; Y192-F213 HydrophobicContact CG-CD1 4.44Å; Y192-F213 HydrophobicContact CG-CE1 4.09Å; Y192-F213 HydrophobicContact CG-CZ 4.42Å; V200-F213 HydrophobicContact CG1-CE1 4.36Å; V200-F213 HydrophobicContact CG1-CZ 4.34Å; G202-F213 VanDerWaalsContact CA-CE2 3.45Å; V203-F213 WeakPolarHBondContact O-CA 3.22Å; L204-F213 HydrophobicContact CD1-CB 4.08Å; F213-P215 HydrophobicContact CE1-CB 4.05Å; F213-Y230 VanDerWaalsContact CD1-O 3.31Å; F213-Y230 WeakPolarHBondContact CD1-O 3.26Å; F213-G231 WeakPolarHBondContact O-CA 3.22Å; F213-L232 HydrophobicContact CB-CB 4.29Å; F213-L232 PolarHBondContact N-O 2.77Å; F213-L232 PolarHBondContact O-N 2.79Å; F213-F548 HydrophobicContact CB-CE1 3.97Å; F213-F548 HydrophobicContact CB-CZ 4.43Å; F213-F548 HydrophobicContact CD1-CE1 4.3Å; F213-F548 HydrophobicContact CD2-CD1 4.13Å; F213-F548 AromaticContact CD2-CE1 3.76Å; F213-F548 HydrophobicContact CD2-CE1 3.76Å; F213-F548 HydrophobicContact CE2-CD1 4.4Å; F213-F548 HydrophobicContact CE2-CE1 4.31Å; F213-F548 AromaticContact CG-CE1 3.75Å; F213-F548 HydrophobicContact CG-CE1 3.75Å
214	D	86.5	Confident	81.5	Confident	55 Å²	55	55.8 Å²	55.8	29%	0.294	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.3	178.3	-72.1	-32.6	0	0	0	109.6	G202 V203	G202-D214 CarbonylContact C-O 3.56Å; G202-D214 WeakPolarHBondContact CA-O 3.41Å; V203-D214 PolarHBondContact N-O 3.45Å; V203-D214 PolarHBondContact O-N 2.9Å
215	P	87.8	Confident	81.1	Confident	13 Å²	13	60 Å²	60	8%	0.084	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	146.5	-177.3	28.1	-36.8	0	0	0	112.9	V200 F213 K217 V222 C227	V200-P215 HydrophobicContact CG1-CB 3.82Å; F213-P215 HydrophobicContact CE1-CB 4.05Å; P215-K217 PolarHBondContact O-N 3.18Å; P215-V222 HydrophobicContact CB-CG1 4.45Å; P215-V222 HydrophobicContact CB-CG2 3.81Å; P215-C227 HydrophobicContact CG-CB 4.11Å; P215-C227 WeakPolarHBondContact CG-O 3.32Å
216	H	83.9	Confident	80.7	Confident	82 Å²	82	59.9 Å²	59.9	38%	0.38	33%	0.326	S	S	.	.			trans	-74	124.3	176.6	-76	-56.6	0	0	0	111.4	G201 G202 S218 D219 V222	G201-H216 WeakPolarHBondContact O-CB 3.31Å; G201-H216 PolarHBondContact O-N 2.59Å; G202-H216 VanDerWaalsContact CA-CD2 3.43Å; G202-H216 WeakPolarHBondContact CA-CD2 3.12Å; G202-H216 PolarHBondContact N-CD2 2.84Å; H216-S218 PolarHBondContact O-N 3.06Å; H216-D219 WeakPolarHBondContact O-CB 3.37Å; H216-D219 PolarHBondContact O-N 2.67Å; H216-V222 WeakPolarHBondContact O-CB 3.39Å; H216-V222 WeakPolarHBondContact O-CG1 3.29Å
217	K	79.9	Confident	80.3	Confident	167 Å²	167	61.2 Å²	61.2	73%	0.726	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.2	178.1	-60.3	-172.3	177.7	-171.5	0	115.3	P215 I223	P215-K217 PolarHBondContact O-N 3.18Å; K217-I223 WeakPolarHBondContact O-CG1 3.45Å
218	S	78.4	Confident	80	Confident	94 Å²	94	65.1 Å²	65.1	66%	0.657	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-3.8	176.5	54.3	0	0	0	0	113.3	H216	H216-S218 PolarHBondContact O-N 3.06Å
219	D	81.6	Confident	80.3	Confident	25 Å²	25	67 Å²	67	13%	0.134	36%	0.356	C	S	.	.	S	Bend	trans	-76.8	133.9	177.8	-173.1	-69	0	0	0	110.4	V200 G201 H216 L221 V222 I223	V200-D219 WeakPolarHBondContact CA-OD2 3.01Å; G201-D219 PolarHBondContact N-OD2 2.96Å; H216-D219 WeakPolarHBondContact O-CB 3.37Å; H216-D219 PolarHBondContact O-N 2.67Å; D219-L221 VanDerWaalsContact C-N 3.31Å; D219-L221 PolarHBondContact O-N 3.46Å; D219-L221 PolarHBondContact OD1-N 2.92Å; D219-L221 VanDerWaalsContact OD1-N 3.09Å; D219-V222 HydrophobicContact CB-CB 4.02Å; D219-V222 HydrophobicContact CB-CG2 3.77Å; D219-V222 WeakPolarHBondContact O-CB 3.44Å; D219-V222 PolarHBondContact O-N 2.94Å; D219-I223 WeakPolarHBondContact O-CG1 3.27Å; D219-I223 PolarHBondContact O-N 2.81Å
220	P	75.1	Confident	80.5	Confident	99 Å²	99	62 Å²	62	64%	0.643	33%	0.329	S	S	*	.	H	α-helix	trans	-53.6	-42.5	-176.1	-28.2	35.9	0	0	0	114.5	V222 I223 E224	P220-V222 VanDerWaalsContact C-N 3.3Å; P220-V222 PolarHBondContact O-N 2.81Å; P220-I223 PolarHBondContact O-N 2.89Å; P220-E224 PolarHBondContact O-N 3.04Å
221	L	77.1	Confident	80.7	Confident	35 Å²	35	59.3 Å²	59.3	18%	0.183	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-35.1	-179.1	-65.9	170.3	0	0	0	111.3	M197 V200 D219 E224 N225 Y230	M197-L221 VanDerWaalsContact O-CD1 3.27Å; M197-L221 WeakPolarHBondContact O-CD1 3.39Å; M197-L221 WeakPolarHBondContact O-CD2 3.08Å; V200-L221 HydrophobicContact CG2-CB 3.99Å; V200-L221 HydrophobicContact CG2-CD1 3.79Å; D219-L221 VanDerWaalsContact C-N 3.31Å; D219-L221 PolarHBondContact O-N 3.46Å; D219-L221 PolarHBondContact OD1-N 2.92Å; D219-L221 VanDerWaalsContact OD1-N 3.09Å; L221-E224 PolarHBondContact O-N 2.91Å; L221-N225 PolarHBondContact O-N 3.31Å; L221-Y230 HydrophobicContact CB-CE2 4.28Å; L221-Y230 WeakPolarHBondContact O-CE2 3.25Å
222	V	81.3	Confident	80.6	Confident	7 Å²	7	59.7 Å²	59.7	4%	0.042	32%	0.317	C	S	.	.	H	α-helix	trans	-74	-28.6	177.5	-179.8	0	0	0	0	112	V200 P215 H216 D219 P220 G226 C227 Y230	V200-V222 HydrophobicContact CG1-CG2 3.44Å; V200-V222 VanDerWaalsContact CG1-CG2 3.44Å; V200-V222 HydrophobicContact CG2-CG2 4.46Å; P215-V222 HydrophobicContact CB-CG1 4.45Å; P215-V222 HydrophobicContact CB-CG2 3.81Å; H216-V222 WeakPolarHBondContact O-CB 3.39Å; H216-V222 WeakPolarHBondContact O-CG1 3.29Å; D219-V222 HydrophobicContact CB-CB 4.02Å; D219-V222 HydrophobicContact CB-CG2 3.77Å; D219-V222 WeakPolarHBondContact O-CB 3.44Å; D219-V222 PolarHBondContact O-N 2.94Å; P220-V222 VanDerWaalsContact C-N 3.3Å; P220-V222 PolarHBondContact O-N 2.81Å; V222-G226 CarbonylContact O-C 3.48Å; V222-G226 WeakPolarHBondContact O-CA 3.27Å; V222-G226 PolarHBondContact O-N 3.17Å; V222-G226 VanDerWaalsContact O-N 3.07Å; V222-C227 HydrophobicContact CG1-CB 3.73Å; V222-Y230 HydrophobicContact CG2-CD2 3.86Å; V222-Y230 HydrophobicContact CG2-CE2 4.36Å
223	I	79.1	Confident	80.6	Confident	118 Å²	118	59.1 Å²	59.1	61%	0.605	32%	0.315	S	S	*	.	H	α-helix	trans	-73.3	-39.2	172.8	-67.4	163.2	0	0	0	110.6	K217 D219 P220	K217-I223 WeakPolarHBondContact O-CG1 3.45Å; D219-I223 WeakPolarHBondContact O-CG1 3.27Å; D219-I223 PolarHBondContact O-N 2.81Å; P220-I223 PolarHBondContact O-N 2.89Å
224	E	78.9	Confident	80.3	Confident	152 Å²	152	59.2 Å²	59.2	71%	0.71	32%	0.315	S	S	*	.	H	α-helix	trans	-76	-53.9	-179.1	-173.8	169.4	-156.4	0	0	112.8	P220 L221	P220-E224 PolarHBondContact O-N 3.04Å; L221-E224 PolarHBondContact O-N 2.91Å
225	N	76.9	Confident	80.1	Confident	89 Å²	89	57.6 Å²	57.6	48%	0.476	31%	0.308	S	S	.	.	H	α-helix	trans	-99.5	-5	-173.8	-59.7	-57.6	0	0	0	114	L221 Y230	L221-N225 PolarHBondContact O-N 3.31Å; N225-Y230 HydrophobicContact CB-CE2 3.96Å; N225-Y230 PolarHBondContact ND2-OH 2.97Å
226	G	77.8	Confident	79.4	Confident	29 Å²	29	58 Å²	58	30%	0.299	31%	0.309	S	S	.	.			trans	86.1	152.9	177.8	0	0	0	0	0	114.7	V222 E228 E229	V222-G226 CarbonylContact O-C 3.48Å; V222-G226 WeakPolarHBondContact O-CA 3.27Å; V222-G226 PolarHBondContact O-N 3.17Å; V222-G226 VanDerWaalsContact O-N 3.07Å; G226-E228 PolarHBondContact O-N 2.95Å; G226-E229 PolarHBondContact O-N 2.99Å
227	C	75.2	Confident	78.9	Confident	30 Å²	30	61.3 Å²	61.3	20%	0.203	33%	0.325	C	S	.	.	H	α-helix	trans	-70.1	-12.8	-178.8	60.9	0	0	0	0	115	P215 V222 G231 F525	P215-C227 HydrophobicContact CG-CB 4.11Å; P215-C227 WeakPolarHBondContact CG-O 3.32Å; V222-C227 HydrophobicContact CG1-CB 3.73Å; C227-G231 PolarHBondContact O-N 3.06Å; C227-F525 WeakPolarHBondContact O-CE2 3.48Å
228	E	75.4	Confident	78.7	Confident	112 Å²	112	54.5 Å²	54.5	52%	0.523	30%	0.296	S	S	.	.	H	α-helix	trans	-78.4	-20.2	178.5	-55.8	-154.3	-175.3	0	0	113.4	G226 F525	G226-E228 PolarHBondContact O-N 2.95Å; E228-F525 HydrophobicContact CB-CB 4Å; E228-F525 HydrophobicContact CB-CD2 4.15Å; E228-F525 HydrophobicContact CB-CG 4.31Å; E228-F525 HydrophobicContact CG-CB 3.56Å; E228-F525 HydrophobicContact CG-CD1 4.44Å; E228-F525 HydrophobicContact CG-CD2 3.95Å; E228-F525 HydrophobicContact CG-CG 3.74Å; E228-F525 VanDerWaalsContact OE2-CB 3.31Å; E228-F525 WeakPolarHBondContact OE2-CB 3.43Å
229	E	74.2	Confident	78.5	Confident	79 Å²	79	50.3 Å²	50.3	37%	0.369	27%	0.266	S	S	.	.	H	α-helix	trans	-74.6	-37.9	178.8	-169.6	56	-147.1	0	0	112	G226 K523	G226-E229 PolarHBondContact O-N 2.99Å; E229-K523 WeakPolarHBondContact O-CE 3.47Å; E229-K523 WeakPolarHBondContact OE1-CE 3.46Å; E229-K523 IonicContact OE1-NZ 3.06Å; E229-K523 PolarHBondContact OE1-NZ 2.88Å; E229-K523 IonicContact OE2-NZ 2.72Å; E229-K523 PolarHBondContact OE2-NZ 3.33Å
230	Y	79.6	Confident	77.8	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-104.4	-7.7	-172	-51	-74.7	0	0	0	114.8	T194 M197 V200 F213 L221 V222 N225	T194-Y230 HydrophobicContact CG2-CD1 3.83Å; T194-Y230 HydrophobicContact CG2-CE1 3.96Å; M197-Y230 HydrophobicContact CE-CE1 4.41Å; V200-Y230 HydrophobicContact CG1-CG 4.44Å; V200-Y230 HydrophobicContact CG2-CD1 3.79Å; V200-Y230 HydrophobicContact CG2-CD2 4.39Å; V200-Y230 HydrophobicContact CG2-CE1 3.97Å; V200-Y230 HydrophobicContact CG2-CG 4Å; F213-Y230 VanDerWaalsContact CD1-O 3.31Å; F213-Y230 WeakPolarHBondContact CD1-O 3.26Å; L221-Y230 HydrophobicContact CB-CE2 4.28Å; L221-Y230 WeakPolarHBondContact O-CE2 3.25Å; V222-Y230 HydrophobicContact CG2-CD2 3.86Å; V222-Y230 HydrophobicContact CG2-CE2 4.36Å; N225-Y230 HydrophobicContact CB-CE2 3.96Å; N225-Y230 PolarHBondContact ND2-OH 2.97Å
231	G	83.8	Confident	77.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.24	C	C	.	.			trans	-72.1	125.5	173.9	0	0	0	0	0	111	F213 C227 K523 S524	F213-G231 WeakPolarHBondContact O-CA 3.22Å; C227-G231 PolarHBondContact O-N 3.06Å; G231-K523 CarbonylContact O-C 3.45Å; G231-K523 VanDerWaalsContact O-CA 3.23Å; G231-K523 WeakPolarHBondContact O-CA 3.06Å; G231-S524 PolarHBondContact O-N 3.27Å; G231-S524 PolarHBondContact O-OG 3.24Å
232	L	85.4	Confident	77.5	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.047	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.6	-176.9	-55.9	173.2	0	0	0	112.5	Y192 M212 F213 M521 R522 S524 Y546 F548	Y192-L232 HydrophobicContact CD1-CD1 4.35Å; Y192-L232 HydrophobicContact CD2-CD1 4.34Å; Y192-L232 HydrophobicContact CE1-CD1 3.87Å; Y192-L232 HydrophobicContact CE2-CD1 3.89Å; M212-L232 CarbonylContact C-O 3.58Å; M212-L232 VanDerWaalsContact CA-O 3.3Å; M212-L232 WeakPolarHBondContact CA-O 3.43Å; F213-L232 HydrophobicContact CB-CB 4.29Å; F213-L232 PolarHBondContact N-O 2.77Å; F213-L232 PolarHBondContact O-N 2.79Å; L232-M521 HydrophobicContact CB-CB 4.28Å; L232-M521 HydrophobicContact CB-CE 3.59Å; L232-M521 HydrophobicContact CB-SD 4.16Å; L232-M521 HydrophobicContact CD1-CE 4.3Å; L232-M521 HydrophobicContact CD1-SD 4Å; L232-M521 HydrophobicContact CD2-CB 4.23Å; L232-R522 CarbonylContact C-O 3.53Å; L232-S524 PolarHBondContact N-OG 2.77Å; L232-S524 PolarHBondContact O-OG 2.88Å; L232-Y546 HydrophobicContact CD1-CD1 3.76Å; L232-Y546 HydrophobicContact CD1-CE1 4.12Å; L232-Y546 HydrophobicContact CD2-CE1 4.28Å; L232-F548 HydrophobicContact CD1-CZ 4.03Å
233	I	86.3	Confident	77.1	Confident	43 Å²	43	44.3 Å²	44.3	22%	0.221	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.7	167.9	-53.7	-176.9	0	0	0	109.7	I211 M212 R522 S524	I211-I233 WeakPolarHBondContact O-CA 3.37Å; M212-I233 HydrophobicContact CE-CD1 4.01Å; M212-I233 HydrophobicContact CE-CG1 4.32Å; M212-I233 HydrophobicContact CG-CG1 4.09Å; M212-I233 HydrophobicContact CG-CG2 4.15Å; I233-R522 PolarHBondContact N-O 2.83Å; I233-R522 PolarHBondContact O-N 3.49Å; I233-S524 WeakPolarHBondContact CG1-OG 3.49Å
234	C	82.5	Confident	76.8	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.014	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.3	167.7	-167.6	0	0	0	0	109.5	N210 I211 V517 M521	N210-C234 CarbonylContact C-O 3.48Å; N210-C234 VanDerWaalsContact CA-O 3.23Å; N210-C234 WeakPolarHBondContact CA-O 3.28Å; I211-C234 HydrophobicContact CB-CB 4.43Å; I211-C234 PolarHBondContact N-O 2.81Å; I211-C234 PolarHBondContact O-N 2.8Å; C234-V517 WeakPolarHBondContact SG-CG1 3.34Å; C234-M521 HydrophobicContact CB-CE 3.6Å; C234-M521 HydrophobicContact CB-CG 3.92Å; C234-M521 HydrophobicContact CB-SD 4.32Å
235	P	82.1	Confident	76.3	Confident	22 Å²	22	32.7 Å²	32.7	14%	0.143	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	146.7	162.9	32.4	-34	0	0	0	109.1	N209 E237 E238	N209-P235 WeakPolarHBondContact O-CA 3.45Å; P235-E237 WeakPolarHBondContact CB-OE2 3.27Å; P235-E237 PolarHBondContact O-N 2.97Å; P235-E238 WeakPolarHBondContact CD-OE2 3.49Å; P235-E238 HydrophobicContact CG-CB 3.95Å; P235-E238 VanDerWaalsContact CG-CD 3.46Å; P235-E238 HydrophobicContact CG-CG 3.68Å; P235-E238 WeakPolarHBondContact CG-OE2 3.46Å; P235-E238 PolarHBondContact O-N 2.88Å; P235-E238 VanDerWaalsContact O-N 3.08Å
236	M	73.9	Confident	75.6	Confident	21 Å²	21	31.5 Å²	31.5	10%	0.103	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-62.4	-29.7	-174	-165.7	66.3	-171.5	0	0	111.8	N209 I211 E238 V239 F562 Y570	N209-M236 PolarHBondContact O-N 3.17Å; I211-M236 HydrophobicContact CD1-SD 3.94Å; I211-M236 HydrophobicContact CG1-SD 4.42Å; M236-E238 PolarHBondContact O-N 2.84Å; M236-V239 WeakPolarHBondContact O-CB 3.4Å; M236-V239 PolarHBondContact O-N 2.91Å; M236-V239 HydrophobicContact SD-CG2 4.33Å; M236-F562 HydrophobicContact CE-CD1 3.99Å; M236-F562 HydrophobicContact CE-CE1 3.78Å; M236-F562 HydrophobicContact SD-CE1 4.5Å; M236-Y570 WeakPolarHBondContact CE-OH 3.3Å
237	E	72.3	Confident	74.8	Confident	151 Å²	151	33.6 Å²	33.6	71%	0.706	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-72.4	-6.6	178.5	-48.9	95.4	136	0	0	114.3	P235	P235-E237 WeakPolarHBondContact CB-OE2 3.27Å; P235-E237 PolarHBondContact O-N 2.97Å
238	E	75.8	Confident	74.2	Confident	25 Å²	25	34.3 Å²	34.3	12%	0.117	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-99.3	-4.9	173.7	-69.9	176.9	165.6	0	0	112.5	P235 M236 V517 G518 K519 R522	P235-E238 WeakPolarHBondContact CD-OE2 3.49Å; P235-E238 HydrophobicContact CG-CB 3.95Å; P235-E238 VanDerWaalsContact CG-CD 3.46Å; P235-E238 HydrophobicContact CG-CG 3.68Å; P235-E238 WeakPolarHBondContact CG-OE2 3.46Å; P235-E238 PolarHBondContact O-N 2.88Å; P235-E238 VanDerWaalsContact O-N 3.08Å; M236-E238 PolarHBondContact O-N 2.84Å; E238-V517 HydrophobicContact CB-CG1 4.06Å; E238-V517 CarbonylContact O-C 3.56Å; E238-V517 WeakPolarHBondContact O-CA 3.01Å; E238-V517 WeakPolarHBondContact O-CG1 3.42Å; E238-G518 PolarHBondContact O-N 3.12Å; E238-K519 HydrophobicContact CG-CD 4.44Å; E238-K519 WeakPolarHBondContact OE1-CD 3.14Å; E238-K519 WeakPolarHBondContact OE1-CE 3.34Å; E238-K519 IonicContact OE1-NZ 3.3Å; E238-K519 PolarHBondContact OE1-NZ 3.4Å; E238-R522 IonicContact OE1-NH2 2.7Å; E238-R522 PolarHBondContact OE1-NH2 2.98Å; E238-R522 IonicContact OE2-NE 2.68Å; E238-R522 IonicContact OE2-NH2 3.72Å; E238-R522 PolarHBondContact OE2-NH2 3.35Å
239	V	73.9	Confident	73.3	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.03	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.1	178	-174.4	0	0	0	0	111.4	I211 M236 V242 F515	I211-V239 HydrophobicContact CD1-CG2 3.66Å; M236-V239 WeakPolarHBondContact O-CB 3.4Å; M236-V239 PolarHBondContact O-N 2.91Å; M236-V239 HydrophobicContact SD-CG2 4.33Å; V239-V242 HydrophobicContact CG1-CG2 3.61Å; V239-F515 HydrophobicContact CG1-CD1 4.42Å
240	V	67.4	Low	72.4	Confident	34 Å²	34	33 Å²	33	21%	0.206	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-39.2	-177	179	0	0	0	0	112.2	K516 T606	V240-K516 WeakPolarHBondContact CB-O 3.39Å; V240-K516 PolarHBondContact N-O 2.93Å; V240-T606 WeakPolarHBondContact O-CG2 3.4Å; V240-T606 PolarHBondContact O-N 2.88Å; V240-T606 PolarHBondContact O-OG1 3.35Å
241	S	70.1	Confident	71.2	Confident	3 Å²	3	34.8 Å²	34.8	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	159.6	164.4	70.8	0	0	0	0	112.4	K516 E603 I604	S241-K516 PolarHBondContact N-O 3.31Å; S241-K516 PolarHBondContact O-N 2.99Å; S241-E603 PolarHBondContact OG-OE1 2.93Å; S241-I604 CarbonylContact C-O 3.6Å; S241-I604 VanDerWaalsContact CA-O 3.29Å; S241-I604 WeakPolarHBondContact CA-O 3.38Å; S241-I604 WeakPolarHBondContact CB-O 3.48Å
242	V	76.8	Confident	69.7	Low	4 Å²	4	40.8 Å²	40.8	2%	0.024	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	111.4	174.9	-171.9	0	0	0	0	107.6	V239 L513 C514 F515 I604	V239-V242 HydrophobicContact CG1-CG2 3.61Å; V242-L513 HydrophobicContact CG1-CD1 3.51Å; V242-C514 WeakPolarHBondContact CA-O 3.5Å; V242-F515 HydrophobicContact CB-CD1 4.46Å; V242-F515 HydrophobicContact CB-CE1 4.49Å; V242-F515 HydrophobicContact CG1-CD1 4.09Å; V242-F515 HydrophobicContact CG1-CE1 3.82Å; V242-F515 HydrophobicContact CG1-CZ 4.34Å; V242-F515 HydrophobicContact CG2-CD1 3.72Å; V242-F515 HydrophobicContact CG2-CE1 3.82Å; V242-I604 HydrophobicContact CB-CB 4.44Å; V242-I604 PolarHBondContact N-O 2.87Å; V242-I604 PolarHBondContact O-N 2.6Å
243	A	71.9	Confident	68	Low	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	148.7	-178.6	0	0	0	0	0	111.1	Y245 L513 C514 E603	A243-Y245 HydrophobicContact CB-CD2 4.44Å; A243-Y245 HydrophobicContact CB-CE1 4.25Å; A243-Y245 HydrophobicContact CB-CE2 3.63Å; A243-Y245 WeakPolarHBondContact CB-OH 3.37Å; A243-L513 WeakPolarHBondContact O-CA 3.21Å; A243-C514 HydrophobicContact CB-CB 4.4Å; A243-C514 PolarHBondContact N-O 3.13Å; A243-C514 PolarHBondContact O-N 3.27Å; A243-E603 HydrophobicContact CB-CB 4.43Å; A243-E603 HydrophobicContact CB-CG 3.78Å
244	L	72.9	Confident	66.2	Low	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	114.8	175.4	-166.7	71.5	0	0	0	111	M511 L513 V555 C600 S601 W602	L244-M511 HydrophobicContact CD1-CB 3.69Å; L244-M511 HydrophobicContact CD2-CB 4.07Å; L244-M511 HydrophobicContact CD2-CE 4.2Å; L244-M511 HydrophobicContact CD2-CG 4.39Å; L244-M511 HydrophobicContact CG-CB 3.88Å; L244-M511 HydrophobicContact CG-CE 4.02Å; L244-L513 HydrophobicContact CD1-CB 3.9Å; L244-L513 HydrophobicContact CD1-CD1 4.13Å; L244-V555 HydrophobicContact CD2-CB 4.11Å; L244-V555 HydrophobicContact CD2-CG1 3.32Å; L244-V555 HydrophobicContact CD2-CG2 3.6Å; L244-C600 PolarHBondContact O-SG 2.88Å; L244-S601 PolarHBondContact O-N 2.87Å; L244-W602 HydrophobicContact CB-CD2 4.5Å; L244-W602 HydrophobicContact CD2-CZ2 4.07Å; L244-W602 PolarHBondContact N-O 2.8Å
245	Y	68.5	Low	64.2	Low	24 Å²	24	54.2 Å²	54.2	9%	0.094	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	152.1	-177.3	-53.6	-70.8	0	0	0	111.9	A243 M511 F512 C514 W547 C600	A243-Y245 HydrophobicContact CB-CD2 4.44Å; A243-Y245 HydrophobicContact CB-CE1 4.25Å; A243-Y245 HydrophobicContact CB-CE2 3.63Å; A243-Y245 WeakPolarHBondContact CB-OH 3.37Å; Y245-M511 WeakPolarHBondContact O-CE 3.31Å; Y245-F512 PolarHBondContact N-O 2.7Å; Y245-F512 PolarHBondContact O-N 2.63Å; Y245-C514 HydrophobicContact CD2-CB 4.29Å; Y245-C514 HydrophobicContact CE2-CB 3.81Å; Y245-W547 AromaticContact CD2-CH2 3.52Å; Y245-W547 HydrophobicContact CD2-CH2 3.52Å; Y245-W547 AromaticContact CD2-CZ3 3.46Å; Y245-W547 HydrophobicContact CD2-CZ3 3.46Å; Y245-W547 VanDerWaalsContact CD2-CZ3 3.46Å; Y245-W547 AromaticContact CE2-CH2 3.45Å; Y245-W547 HydrophobicContact CE2-CH2 3.45Å; Y245-W547 VanDerWaalsContact CE2-CH2 3.45Å; Y245-W547 HydrophobicContact CE2-CZ2 4.27Å; Y245-W547 AromaticContact CE2-CZ3 3.88Å; Y245-W547 HydrophobicContact CE2-CZ3 3.88Å; Y245-W547 HydrophobicContact CG-CZ3 4.46Å; Y245-C600 HydrophobicContact CD1-CB 4.47Å
246	D	62.2	Low	62	Low	65 Å²	65	56.2 Å²	56.2	35%	0.348	30%	0.295	S	S	.	.	S	Bend	trans	-76.4	-27	170.2	59.8	-10.4	0	0	0	113.9	M511 F512 S599	D246-M511 HydrophobicContact CB-CE 4.43Å; D246-M511 HydrophobicContact CB-SD 4.44Å; D246-F512 WeakPolarHBondContact O-CE2 3.28Å; D246-S599 VanDerWaalsContact CG-CB 3.44Å; D246-S599 PolarHBondContact N-O 2.63Å; D246-S599 WeakPolarHBondContact OD1-CB 3.22Å; D246-S599 PolarHBondContact OD1-OG 2.93Å; D246-S599 VanDerWaalsContact OD2-CA 3.28Å; D246-S599 WeakPolarHBondContact OD2-CA 3.4Å; D246-S599 WeakPolarHBondContact OD2-CB 3.31Å
247	D	60.3	Low	60.2	Low	72 Å²	72	60.9 Å²	60.9	39%	0.385	32%	0.32	S	S	.	.			trans	-128.5	142.9	-176.2	-176	11.2	0	0	0	112.7	S249	D247-S249 PolarHBondContact OD1-N 3.24Å; D247-S249 WeakPolarHBondContact OD2-CB 3.5Å; D247-S249 PolarHBondContact OD2-OG 3.17Å
248	V	64.1	Low	58.7	Low	46 Å²	46	60.3 Å²	60.3	28%	0.279	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-82.7	-12.5	177.7	73.1	0	0	0	0	113.1	F193 R250 M251 F512	F193-V248 HydrophobicContact CD1-CG2 4.31Å; F193-V248 HydrophobicContact CE1-CG2 4.05Å; F193-V248 HydrophobicContact CZ-CG2 4.35Å; V248-R250 PolarHBondContact O-N 2.85Å; V248-M251 HydrophobicContact CG2-CB 4.47Å; V248-M251 WeakPolarHBondContact O-CB 3.45Å; V248-M251 PolarHBondContact O-N 3.46Å; V248-F512 HydrophobicContact CB-CD1 3.81Å; V248-F512 HydrophobicContact CB-CD2 4.23Å; V248-F512 HydrophobicContact CB-CE1 3.69Å; V248-F512 HydrophobicContact CB-CE2 4.12Å; V248-F512 HydrophobicContact CB-CG 4.09Å; V248-F512 HydrophobicContact CB-CZ 3.85Å; V248-F512 HydrophobicContact CG1-CE1 4.45Å; V248-F512 HydrophobicContact CG1-CZ 4.33Å; V248-F512 HydrophobicContact CG2-CD1 3.96Å; V248-F512 HydrophobicContact CG2-CE1 4.03Å
249	S	56	Low	56.8	Low	88 Å²	88	63.9 Å²	63.9	62%	0.615	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-55.1	-18.8	179.7	67.3	0	0	0	0	114.8	D247 M251	D247-S249 PolarHBondContact OD1-N 3.24Å; D247-S249 WeakPolarHBondContact OD2-CB 3.5Å; D247-S249 PolarHBondContact OD2-OG 3.17Å; S249-M251 VanDerWaalsContact C-N 3.27Å; S249-M251 PolarHBondContact O-N 3.47Å
250	R	54	Low	55	Low	75 Å²	75	68.2 Å²	68.2	28%	0.283	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-72.1	-12.4	174.1	-62	-177.5	-174.6	-113.8	1.5	113.7	V248 Q252 W547 D596 S599	V248-R250 PolarHBondContact O-N 2.85Å; R250-Q252 PolarHBondContact O-N 3.24Å; R250-W547 HydrophobicContact CB-CH2 3.79Å; R250-D596 PolarHBondContact NH2-O 3.07Å; R250-S599 PolarHBondContact NE-OG 2.84Å; R250-S599 PolarHBondContact NH2-OG 3.13Å
251	M	55.6	Low	53.6	Low	41 Å²	41	72.2 Å²	72.2	20%	0.202	40%	0.399	C	S	.	.			trans	-75.2	102.5	178.3	-176.9	178.3	174.1	0	0	111.8	F193 V248 S249 L253 W547	F193-M251 HydrophobicContact CB-CE 4.12Å; F193-M251 HydrophobicContact CB-SD 3.85Å; F193-M251 HydrophobicContact CD1-SD 4.49Å; F193-M251 HydrophobicContact CG-SD 4.44Å; V248-M251 HydrophobicContact CG2-CB 4.47Å; V248-M251 WeakPolarHBondContact O-CB 3.45Å; V248-M251 PolarHBondContact O-N 3.46Å; S249-M251 VanDerWaalsContact C-N 3.27Å; S249-M251 PolarHBondContact O-N 3.47Å; M251-L253 HydrophobicContact CE-CD2 4.27Å; M251-L253 PolarHBondContact O-N 3.38Å; M251-W547 HydrophobicContact CB-CD2 4.25Å; M251-W547 HydrophobicContact CB-CZ2 4.48Å; M251-W547 HydrophobicContact CG-CD2 4.45Å; M251-W547 HydrophobicContact CG-CG 4.37Å; M251-W547 HydrophobicContact SD-CB 4.34Å; M251-W547 HydrophobicContact SD-CG 4.27Å
252	Q	51	Low	52.1	Low	125 Å²	125	76.9 Å²	76.9	58%	0.584	43%	0.43	S	S	*	.			trans	-85.5	104.5	174.2	-67.2	179.5	0.4	0	0	110.7	R250 R542	R250-Q252 PolarHBondContact O-N 3.24Å; Q252-R542 VanDerWaalsContact OE1-CZ 3.28Å
253	L	51.5	Low	50.3	Low	61 Å²	61	84.2 Å²	84.2	32%	0.319	46%	0.464	S	S	.	.			trans	-53.6	134.7	170.8	-68.5	168.2	0	0	0	110.5	D195 M251 A256	D195-L253 WeakPolarHBondContact OD1-CA 3.48Å; D195-L253 WeakPolarHBondContact OD1-CD2 3.28Å; M251-L253 HydrophobicContact CE-CD2 4.27Å; M251-L253 PolarHBondContact O-N 3.38Å; L253-A256 HydrophobicContact CB-CB 4.5Å
254	K	47.8	Very low	48.8	Very low	131 Å²	131	91 Å²	91	57%	0.57	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-23.1	-169.3	-66.8	-176.8	-162.4	88.3	0	114.5	D195	D195-K254 PolarHBondContact OD1-N 2.8Å; D195-K254 WeakPolarHBondContact OD2-CD 3.23Å; D195-K254 VanDerWaalsContact OD2-CG 3.22Å; D195-K254 WeakPolarHBondContact OD2-CG 3.16Å; D195-K254 IonicContact OD2-NZ 3.25Å; D195-K254 PolarHBondContact OD2-NZ 3.17Å
255	D	40.9	Very low	47.3	Very low	144 Å²	144	95.4 Å²	95.4	77%	0.77	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	3.1	-173.8	-66.2	-40.6	0	0	0	114.3	L257	D255-L257 PolarHBondContact O-N 3.33Å
256	A	34.2	Very low	46	Very low	65 Å²	65	98.3 Å²	98.3	54%	0.537	55%	0.546	S	S	.	.			trans	-72.5	115.2	174.2	0	0	0	0	0	110.7	L253	L253-A256 HydrophobicContact CB-CB 4.5Å
257	L	37.1	Very low	44.8	Very low	118 Å²	118	99.4 Å²	99.4	62%	0.618	56%	0.557	S	S	*	*			trans	-77.1	147.7	177.2	-73.3	172.9	0	0	0	110.2	D255 S259 D260	D255-L257 PolarHBondContact O-N 3.33Å; L257-S259 PolarHBondContact O-N 3.17Å; L257-D260 PolarHBondContact N-OD2 2.95Å; L257-D260 PolarHBondContact O-N 3.13Å
258	P	40.2	Very low	43.9	Very low	139 Å²	139	102 Å²	102	90%	0.903	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	15.4	179.3	-22.1	34.4	0	0	0	116.3
259	S	35.7	Very low	42.9	Very low	100 Å²	100	106 Å²	106	70%	0.699	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.9	-17.4	-174.3	-55.5	0	0	0	0	113.1	L257 L261	L257-S259 PolarHBondContact O-N 3.17Å; S259-L261 PolarHBondContact O-N 3.41Å
260	D	37.1	Very low	42.2	Very low	97 Å²	97	107.7 Å²	107.7	52%	0.519	58%	0.579	S	S	.	*			trans	-82.8	115.3	-169	-55.8	-33.2	0	0	0	109.5	L257	L257-D260 PolarHBondContact N-OD2 2.95Å; L257-D260 PolarHBondContact O-N 3.13Å
261	L	38.2	Very low	41.5	Very low	117 Å²	117	110.3 Å²	110.3	61%	0.613	61%	0.605	S	S	*	*			trans	-68.1	145.8	180	-81.4	155.5	0	0	0	110.1	S259 Q263 D264	S259-L261 PolarHBondContact O-N 3.41Å; L261-Q263 PolarHBondContact O-N 3.06Å; L261-D264 PolarHBondContact O-N 2.71Å; L261-D264 VanDerWaalsContact O-N 3.12Å
262	P	38.1	Very low	40.6	Very low	101 Å²	101	111.4 Å²	111.4	66%	0.656	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	14.9	-174.2	29.8	-37.1	0	0	0	114.9
263	Q	39.5	Very low	39.8	Very low	158 Å²	158	111.7 Å²	111.7	74%	0.738	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-19.4	172.9	-69.4	-180	-55.7	0	0	113	L261	L261-Q263 PolarHBondContact O-N 3.06Å
264	D	39.8	Very low	39.4	Very low	144 Å²	144	117.8 Å²	117.8	77%	0.77	65%	0.648	S	S	*	*	S	Bend	trans	-92.6	-0.1	177.5	-70.5	-38.4	0	0	0	113.5	L261	L261-D264 PolarHBondContact O-N 2.71Å; L261-D264 VanDerWaalsContact O-N 3.12Å
265	L	41.9	Very low	39	Very low	93 Å²	93	120.3 Å²	120.3	49%	0.487	66%	0.662	S	S	.	*	S	Bend	trans	-81	148.7	171.9	-67.7	174.7	0	0	0	111.8
266	C	41.3	Very low	39.1	Very low	85 Å²	85	122 Å²	122	57%	0.574	67%	0.665	S	S	*	*			trans	-53.2	137.1	179.3	-70	0	0	0	0	112.3	V268 Y269	C266-V268 PolarHBondContact O-N 3.49Å; C266-Y269 HydrophobicContact CB-CD2 4.24Å; C266-Y269 PolarHBondContact O-N 2.98Å
267	P	37	Very low	39.1	Very low	88 Å²	88	125.3 Å²	125.3	57%	0.571	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-54.1	-26.1	-172.8	-30.2	35.8	0	0	0	116.1	Y269 R270	P267-Y269 PolarHBondContact O-N 3.03Å; P267-R270 PolarHBondContact O-N 2.87Å
268	V	41.3	Very low	38.8	Very low	125 Å²	125	123.9 Å²	123.9	76%	0.758	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-56.8	-20.5	176.8	-177.2	0	0	0	0	113.1	C266	C266-V268 PolarHBondContact O-N 3.49Å
269	Y	43.3	Very low	38.6	Very low	132 Å²	132	121.2 Å²	121.2	52%	0.518	66%	0.655	S	S	.	*	G	3₁₀ helix	trans	-96.3	24.3	-178.4	-66.5	-78	0	0	0	114.7	C266 P267 P271	C266-Y269 HydrophobicContact CB-CD2 4.24Å; C266-Y269 PolarHBondContact O-N 2.98Å; P267-Y269 PolarHBondContact O-N 3.03Å; Y269-P271 WeakPolarHBondContact O-CD 3.28Å
270	R	39.8	Very low	38.7	Very low	122 Å²	122	125 Å²	125	46%	0.46	66%	0.662	S	S	.	*			trans	-101.1	111.5	173	-67.1	-175.2	-174.3	163.4	4.3	112.2	P267 G272 E273	P267-R270 PolarHBondContact O-N 2.87Å; R270-G272 VanDerWaalsContact C-N 3.34Å; R270-G272 PolarHBondContact O-N 2.71Å; R270-E273 IonicContact NH1-OE1 3.68Å
271	P	39.5	Very low	39	Very low	130 Å²	130	127.9 Å²	127.9	84%	0.844	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	88.8	168.9	-14.5	30.6	0	0	0	110.1	Y269	Y269-P271 WeakPolarHBondContact O-CD 3.28Å
272	G	37.2	Very low	39	Very low	65 Å²	65	129.4 Å²	129.4	67%	0.67	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	176.5	-25.6	-179.6	0	0	0	0	0	115.8	R270 W274	R270-G272 VanDerWaalsContact C-N 3.34Å; R270-G272 PolarHBondContact O-N 2.71Å; G272-W274 PolarHBondContact O-N 3.06Å
273	E	34.5	Very low	39.2	Very low	131 Å²	131	131.9 Å²	131.9	61%	0.612	68%	0.683	S	S	*	*			trans	-102.3	51.7	-178.1	-68.7	171.9	-151.4	0	0	111.6	R270	R270-E273 IonicContact NH1-OE1 3.68Å
274	W	43.3	Very low	39.4	Very low	188 Å²	188	129 Å²	129	71%	0.712	67%	0.673	S	S	*	*			trans	-98.1	-5.7	-175.7	-74.3	107.1	0	0	0	115.5	G272	G272-W274 PolarHBondContact O-N 3.06Å
275	E	39.1	Very low	39.4	Very low	185 Å²	185	126.7 Å²	126.7	86%	0.864	67%	0.666	S	S	*	*	S	Bend	trans	-91.1	4	-176.8	-65.5	-164.3	142	0	0	115
276	Q	42.9	Very low	39	Very low	179 Å²	179	130.6 Å²	130.6	84%	0.836	68%	0.679	S	S	*	*			trans	-155.5	68.1	-176.8	-123	146.9	100.6	0	0	114.6
277	L	34.7	Very low	39.1	Very low	134 Å²	134	130.4 Å²	130.4	70%	0.702	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-84.3	137.4	158.4	-68.3	176	0	0	0	109.9
278	P	30.6	Very low	39	Very low	89 Å²	89	136.5 Å²	136.5	58%	0.578	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-58.1	145	169.1	-23.3	33.9	0	0	0	111.6	E282	P278-E282 HydrophobicContact CB-CG 4.35Å; P278-E282 WeakPolarHBondContact CB-OE2 3.5Å
279	S	36.1	Very low	38.8	Very low	83 Å²	83	140.9 Å²	140.9	58%	0.58	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-75	163.9	179.4	64.1	0	0	0	0	112	Q281 E282	S279-Q281 PolarHBondContact O-N 2.77Å; S279-E282 PolarHBondContact O-N 2.72Å
280	E	38.4	Very low	38.3	Very low	179 Å²	179	143.9 Å²	143.9	84%	0.836	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-57.8	-7.9	-173.6	-61.6	-172.8	124	0	0	115.4	E282 L283	E280-E282 VanDerWaalsContact C-N 3.3Å; E280-E282 PolarHBondContact O-N 3.03Å; E280-L283 PolarHBondContact O-N 3.1Å
281	Q	42.4	Very low	37.9	Very low	157 Å²	157	142.9 Å²	142.9	73%	0.734	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-70.7	-19.8	178.2	-66.7	-173.1	-14.7	0	0	114	S279 L283	S279-Q281 PolarHBondContact O-N 2.77Å; Q281-L283 VanDerWaalsContact C-N 3.33Å
282	E	39.2	Very low	37.6	Very low	149 Å²	149	144.8 Å²	144.8	70%	0.696	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-78.3	-14.5	175.9	-64.2	-160.7	154.8	0	0	113.7	P278 S279 E280 N284	P278-E282 HydrophobicContact CB-CG 4.35Å; P278-E282 WeakPolarHBondContact CB-OE2 3.5Å; S279-E282 PolarHBondContact O-N 2.72Å; E280-E282 VanDerWaalsContact C-N 3.3Å; E280-E282 PolarHBondContact O-N 3.03Å; E282-N284 PolarHBondContact O-N 2.89Å
283	L	41.6	Very low	37.3	Very low	154 Å²	154	147.9 Å²	147.9	81%	0.806	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-79.7	12.2	175.2	-70	175.6	0	0	0	113.9	E280 Q281 P285	E280-L283 PolarHBondContact O-N 3.1Å; Q281-L283 VanDerWaalsContact C-N 3.33Å; L283-P285 WeakPolarHBondContact O-CD 3.43Å
284	N	44.5	Very low	37.4	Very low	98 Å²	98	147.5 Å²	147.5	52%	0.524	75%	0.748	S	S	.	*			trans	-90.4	113.2	-178	-142.3	-17.3	0	0	0	110.4	E282 F286 S287	E282-N284 PolarHBondContact O-N 2.89Å; N284-F286 PolarHBondContact O-N 2.97Å; N284-S287 PolarHBondContact O-N 2.92Å; N284-S287 PolarHBondContact O-OG 3.05Å
285	P	39.2	Very low	36.7	Very low	95 Å²	95	148.6 Å²	148.6	62%	0.617	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-8.5	-167.2	25.4	-34.9	0	0	0	115.1	L283	L283-P285 WeakPolarHBondContact O-CD 3.43Å
286	F	33.8	Very low	36.2	Very low	174 Å²	174	148.5 Å²	148.5	76%	0.763	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.7	-8.8	179.6	-69.9	-79.9	0	0	0	114.7	N284 R288	N284-F286 PolarHBondContact O-N 2.97Å; F286-R288 PolarHBondContact O-N 2.99Å
287	S	41.9	Very low	35.5	Very low	81 Å²	81	145.5 Å²	145.5	57%	0.566	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	3.1	-175.7	-55.1	0	0	0	0	115.6	N284	N284-S287 PolarHBondContact O-N 2.92Å; N284-S287 PolarHBondContact O-OG 3.05Å
288	R	35.9	Very low	35.1	Very low	216 Å²	216	146.2 Å²	146.2	82%	0.815	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	7.4	179.2	-84.4	-175.2	-76.5	179.4	-6.6	114.9	F286	F286-R288 PolarHBondContact O-N 2.99Å
289	Y	37.3	Very low	34.7	Very low	217 Å²	217	151.4 Å²	151.4	85%	0.851	77%	0.77	S	S	*	*	S	Bend	trans	-131	53.7	179.3	-73.9	-75.1	0	0	0	114
290	E	33.2	Very low	34.7	Very low	195 Å²	195	154 Å²	154	91%	0.911	78%	0.777	S	S	*	*	S	Bend	trans	-146	144.1	148	-121.9	165.3	-155.3	0	0	110.1
291	A	31.2	Very low	34.1	Very low	101 Å²	101	152.2 Å²	152.2	84%	0.835	77%	0.773	S	S	*	*			trans	-108.4	164	-151.8	0	0	0	0	0	115.3
292	L	32.8	Very low	33.6	Very low	171 Å²	171	152 Å²	152	90%	0.895	78%	0.777	S	S	*	*			trans	-44.2	134.2	173.1	-61.2	159.2	0	0	0	113.9
293	V	31.4	Very low	33.1	Very low	129 Å²	129	152.7 Å²	152.7	78%	0.782	78%	0.784	S	S	*	*			trans	149.1	133.9	131.2	164.4	0	0	0	0	111.4
294	P	34.9	Very low	32.4	Very low	124 Å²	124	153.8 Å²	153.8	81%	0.805	79%	0.785	S	S	*	*			trans	-73.5	159.7	178.2	-16.6	31.8	0	0	0	114.7
295	K	29.6	Very low	31.7	Very low	210 Å²	210	154.5 Å²	154.5	91%	0.913	80%	0.797	S	S	*	*			trans	-80.1	121.6	178.9	-64.6	174.9	-178.4	172.4	0	112.8
296	Q	27.7	Very low	31.2	Very low	184 Å²	184	156.1 Å²	156.1	86%	0.86	81%	0.806	S	S	*	*			trans	-129.9	160.4	146.5	-105.9	-167.8	-16.9	0	0	109.4
297	P	28.9	Very low	30.8	Very low	116 Å²	116	156 Å²	156	75%	0.753	81%	0.812	S	S	*	*			trans	-75.3	151.1	-160.8	29.2	-35.6	0	0	0	114.3
298	I	25.6	Very low	30.2	Very low	149 Å²	149	157.1 Å²	157.1	76%	0.764	82%	0.82	S	S	*	*			trans	-73.8	135.3	-179.4	-62.5	155.9	0	0	0	110.8	L300	I298-L300 HydrophobicContact CG2-CD1 4.03Å
299	F	24	Very low	29.9	Very low	197 Å²	197	154.8 Å²	154.8	86%	0.864	82%	0.818	S	S	*	*			trans	-113.2	140.4	146.6	-92	-96.3	0	0	0	108.2
300	L	34.7	Very low	29.4	Very low	137 Å²	137	150.4 Å²	150.4	72%	0.717	81%	0.814	S	S	*	*			trans	-78.7	147.5	165	-81.2	74.3	0	0	0	108.2	I298	I298-L300 HydrophobicContact CG2-CD1 4.03Å
301	D	27.3	Very low	29.1	Very low	142 Å²	142	147.1 Å²	147.1	76%	0.759	81%	0.807	S	S	*	*				-170.8	162.9	97.9	-94.8	-29.1	0	0	0	113.5
302	D	30.2	Very low	28.9	Very low	152 Å²	152	147 Å²	147	81%	0.813	80%	0.801	S	S	*	*			trans	71.5	159.9	160.3	-69.9	-28.8	0	0	0	122.3
303	I	29.7	Very low	28.6	Very low	165 Å²	165	144.4 Å²	144.4	85%	0.846	79%	0.792	S	S	*	*			trans	-134.9	176.9	-153	-63.7	162.6	0	0	0	107.9
304	E	27.6	Very low	28.3	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	80%	0.798	S	S	*	*			trans	83.8	90.6	158	-161.2	165.7	-115.3	0	0	117.4
305	S	28.8	Very low	27.8	Very low	112 Å²	112	144.9 Å²	144.9	78%	0.783	79%	0.794	S	S	*	*			trans	-148.1	108	134	-83.5	0	0	0	0	112.2
306	T	28.4	Very low	27.8	Very low	130 Å²	130	142.9 Å²	142.9	80%	0.798	79%	0.788	S	S	*	*			trans	50.2	96.8	144.9	57.5	0	0	0	0	119
307	L	26.7	Very low	27.7	Very low	170 Å²	170	141.5 Å²	141.5	89%	0.89	78%	0.781	S	S	*	*			trans	-47.1	144.4	133.5	-61.8	162.7	0	0	0	111
308	S	29.2	Very low	27.5	Very low	105 Å²	105	141.3 Å²	141.3	73%	0.734	78%	0.778	S	S	*	*			trans	-175.5	151.4	131.4	-106.1	0	0	0	0	112.9
309	E	29.7	Very low	27.5	Very low	167 Å²	167	141.2 Å²	141.2	78%	0.78	77%	0.774	S	S	*	*			trans	51.5	103.2	154.7	-65.6	167.6	176.5	0	0	117.9
310	T	26.8	Very low	27.7	Very low	126 Å²	126	140 Å²	140	77%	0.773	77%	0.769	S	S	*	*			cis	82.6	125.3	32.6	83.6	0	0	0	0	117.5
311	V	25.7	Very low	27.8	Very low	125 Å²	125	138.8 Å²	138.8	76%	0.758	77%	0.771	S	S	*	*			trans	78	105.3	155.4	178.5	0	0	0	0	118.8
312	S	26.6	Very low	28.8	Very low	100 Å²	100	137.4 Å²	137.4	70%	0.699	77%	0.77	S	S	*	*				20.3	151.6	121.7	-38.3	0	0	0	0	120.2
313	T	26.6	Very low	28.7	Very low	115 Å²	115	135.2 Å²	135.2	71%	0.706	77%	0.767	S	S	*	*				-174.2	169.5	58.4	46.1	0	0	0	0	113.4
314	E	25.7	Very low	28.8	Very low	194 Å²	194	134.7 Å²	134.7	91%	0.907	77%	0.765	S	S	*	*			trans	68.4	156.3	160.8	-35.9	-159.3	147.9	0	0	118.2
315	G	25.4	Very low	29.2	Very low	70 Å²	70	135.5 Å²	135.5	72%	0.722	77%	0.769	S	S	*	*			cis	177.8	139.8	-6.6	0	0	0	0	0	114.4
316	E	27.8	Very low	29.1	Very low	168 Å²	168	133.6 Å²	133.6	79%	0.785	77%	0.767	S	S	*	*			trans	63.3	110.3	152.9	-58.5	-150.7	87.2	0	0	125.6
317	Q	26.7	Very low	29	Very low	155 Å²	155	136.5 Å²	136.5	72%	0.724	77%	0.769	S	S	*	*				82.1	139.9	117.3	-67.8	-150.5	65.3	0	0	126.3
318	T	24.6	Very low	29.3	Very low	111 Å²	111	132.8 Å²	132.8	68%	0.681	75%	0.754	S	S	*	*			trans	84.6	115.2	145	44.8	0	0	0	0	124.8
319	E	26.3	Very low	29.3	Very low	147 Å²	147	134 Å²	134	69%	0.687	75%	0.752	S	S	*	*			trans	74.6	141.8	132.7	-70.3	-161.9	155	0	0	125.2
320	K	28	Very low	29.3	Very low	173 Å²	173	133.5 Å²	133.5	75%	0.752	75%	0.754	S	S	*	*			trans	71.6	117.3	147.6	-74.2	157.8	-177.8	151.2	0	121.6
321	S	36.6	Very low	29.5	Very low	110 Å²	110	135.9 Å²	135.9	77%	0.769	76%	0.756	S	S	*	*			trans	-67.4	166	141	-30.6	0	0	0	0	110.4
322	P	46.8	Very low	30.8	Very low	113 Å²	113	134.8 Å²	134.8	73%	0.734	75%	0.752	S	S	*	*			cis	-146.5	-165.3	26.4	43.1	-21.6	0	0	0	116.9
323	S	29.7	Very low	30.6	Very low	107 Å²	107	136.8 Å²	136.8	75%	0.748	75%	0.753	S	S	*	*			trans	77	109.3	150.2	-62.2	0	0	0	0	122.1
324	D	30.9	Very low	30.5	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	76%	0.757	S	S	*	*				58.7	119.3	109.2	-156.1	16.1	0	0	0	121.8
325	E	35.3	Very low	30.3	Very low	194 Å²	194	133.9 Å²	133.9	91%	0.907	75%	0.745	S	S	*	*				-175	147.1	117.3	-104	-174	-156	0	0	111.5
326	G	28.1	Very low	30.2	Very low	72 Å²	72	141 Å²	141	74%	0.742	75%	0.75	S	S	*	*			trans	143	50.6	176.3	0	0	0	0	0	117
327	F	25.3	Very low	29.9	Very low	191 Å²	191	138.5 Å²	138.5	84%	0.838	74%	0.743	S	S	*	*				92.8	89.8	87.3	-164.9	-97.2	0	0	0	115.7
328	T	33	Very low	29.8	Very low	92 Å²	92	136.1 Å²	136.1	56%	0.564	74%	0.739	S	S	*	*			trans	50.3	147.7	139.3	62.1	0	0	0	0	122
329	D	30.4	Very low	29.8	Very low	130 Å²	130	139.1 Å²	139.1	70%	0.695	75%	0.745	S	S	*	*			cis	-164.9	156.4	-1.5	-116	-21	0	0	0	113.9
330	L	29.3	Very low	29.7	Very low	157 Å²	157	140.6 Å²	140.6	82%	0.822	75%	0.752	S	S	*	*			trans	63	140.1	147.3	-62.4	168.8	0	0	0	123.8
331	E	31.8	Very low	29.7	Very low	176 Å²	176	138.9 Å²	138.9	82%	0.822	76%	0.756	S	S	*	*			trans	-98.3	-149.7	168.9	-45.9	176.4	117.4	0	0	111.3
332	P	52.1	Low	29.1	Very low	102 Å²	102	142.6 Å²	142.6	66%	0.662	76%	0.761	S	S	*	*				-114.5	-158.4	-70.6	28.3	-8.4	0	0	0	110.6
333	I	23	Very low	28	Very low	143 Å²	143	140.3 Å²	140.3	73%	0.733	76%	0.758	S	S	*	*			trans	153.5	123.9	132.5	-82.6	166.5	0	0	0	116.7
334	I	23.6	Very low	27.7	Very low	154 Å²	154	141 Å²	141	79%	0.79	76%	0.763	S	S	*	*			trans	58.6	148.3	144	-62.4	175.8	0	0	0	122.4
335	S	22.6	Very low	27.3	Very low	93 Å²	93	139 Å²	139	65%	0.65	76%	0.761	S	S	*	*			trans	-80.1	161.3	-178.7	56.8	0	0	0	0	117.2
336	W	21.6	Very low	26.8	Very low	220 Å²	220	134.9 Å²	134.9	83%	0.833	75%	0.753	S	S	*	*			trans	-157.5	125.7	138.2	-145.3	-111.3	0	0	0	111.1
337	N	22.6	Very low	26.5	Very low	116 Å²	116	136.9 Å²	136.9	62%	0.62	75%	0.751	S	S	*	*				36.6	168.1	128.7	-62.5	11	0	0	0	122.9
338	T	24.6	Very low	26.4	Very low	105 Å²	105	133.3 Å²	133.3	64%	0.644	75%	0.745	S	S	*	*			cis	-174.4	-172.1	-23.7	-77.1	0	0	0	0	105.7
339	E	25	Very low	26	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	75%	0.753	S	S	*	*			trans	84.6	104.6	166.3	-53.2	-176.3	178.9	0	0	113.4
340	E	24.5	Very low	25.6	Very low	178 Å²	178	134.9 Å²	134.9	83%	0.832	75%	0.752	S	S	*	*				70.1	121.3	71.4	-72.8	-164.5	-161.7	0	0	114
341	T	26.8	Very low	25.4	Very low	137 Å²	137	137.1 Å²	137.1	84%	0.84	75%	0.749	S	S	*	*				-172.4	161	115	-73.2	0	0	0	0	110.1
342	Q	23.4	Very low	25.1	Very low	188 Å²	188	133.4 Å²	133.4	88%	0.879	74%	0.735	S	S	*	*			trans	-68.7	164.6	-176.2	-55.7	159.3	4.2	0	0	114.3
343	G	23.6	Very low	23.9	Very low	65 Å²	65	133.3 Å²	133.3	67%	0.67	73%	0.729	S	S	*	*				117	90.1	124.3	0	0	0	0	0	119.5
344	S	24.2	Very low	24.1	Very low	120 Å²	120	136.6 Å²	136.6	84%	0.839	73%	0.734	S	S	*	*			trans	32.7	118.9	132.1	58.7	0	0	0	0	121.4
345	S	22.9	Very low	24.4	Very low	112 Å²	112	134.5 Å²	134.5	78%	0.783	72%	0.724	S	S	*	*				-170.9	119.1	117.4	60.2	0	0	0	0	115.1
346	S	23.7	Very low	24.7	Very low	107 Å²	107	138 Å²	138	75%	0.748	73%	0.73	S	S	*	*			trans	4.6	136.8	140.6	58.1	0	0	0	0	122.7
347	T	22.6	Very low	25	Very low	114 Å²	114	133.6 Å²	133.6	70%	0.699	73%	0.727	S	S	*	*				93.9	94.2	126.7	-66.1	0	0	0	0	121.5
348	T	24.1	Very low	25	Very low	116 Å²	116	131.2 Å²	131.2	71%	0.712	73%	0.73	S	S	*	*			trans	72	169.5	136.8	70.8	0	0	0	0	118.7
349	H	24.5	Very low	26.1	Very low	157 Å²	157	131.6 Å²	131.6	73%	0.727	74%	0.735	S	S	*	*			cis	-155.4	167.3	16.1	-141.5	-63.2	0	0	0	113.7
350	C	22.3	Very low	26	Very low	99 Å²	99	129.3 Å²	129.3	67%	0.669	73%	0.732	S	S	*	*			trans	86.7	148.4	156.4	-60.6	0	0	0	0	118.6
351	R	24.4	Very low	25.9	Very low	203 Å²	203	126.7 Å²	126.7	77%	0.766	73%	0.733	S	S	*	*			cis	-176	167	-10.6	-105.9	-163.7	127.8	140.1	6.9	108.3
352	D	24.9	Very low	25.7	Very low	99 Å²	99	127.6 Å²	127.6	53%	0.529	73%	0.732	S	S	.	*			cis	-172.6	167	-24.9	-116.6	19.5	0	0	0	109.5
353	N	28	Very low	25.6	Very low	100 Å²	100	125.6 Å²	125.6	54%	0.535	73%	0.727	S	S	.	*			trans	70.9	152.7	157.8	-58.3	-3.8	0	0	0	119.5
354	Y	26.9	Very low	25.6	Very low	211 Å²	211	129.2 Å²	129.2	83%	0.827	73%	0.73	S	S	*	*			cis	-119.2	155	5.2	-75.8	-103.8	0	0	0	111.6
355	D	28.8	Very low	25.6	Very low	111 Å²	111	130.9 Å²	130.9	59%	0.594	72%	0.724	S	S	*	*			cis	88.5	136.7	29.3	-89.3	21.1	0	0	0	116.6
356	H	29.7	Very low	25.7	Very low	165 Å²	165	132.4 Å²	132.4	76%	0.764	72%	0.719	S	S	*	*			cis	-169.3	-163.2	-20.3	-142.8	-13.7	0	0	0	115
357	V	26.7	Very low	25.7	Very low	128 Å²	128	132.1 Å²	132.1	78%	0.776	72%	0.717	S	S	*	*			trans	81.5	144.3	175.9	-172.9	0	0	0	0	115.2
358	G	22.8	Very low	25.9	Very low	67 Å²	67	137.3 Å²	137.3	69%	0.691	72%	0.724	S	S	*	*			cis	123.4	175.2	-3.8	0	0	0	0	0	114.2
359	P	49.3	Very low	26	Very low	113 Å²	113	137.2 Å²	137.2	73%	0.734	72%	0.719	S	S	*	*			cis	-143.1	-162.2	-38.5	37.7	-17.2	0	0	0	114
360	T	22.1	Very low	26.1	Very low	125 Å²	125	137.5 Å²	137.5	77%	0.767	72%	0.72	S	S	*	*			trans	95	136.5	156.8	-41.9	0	0	0	0	118.1
361	C	22.2	Very low	26.2	Very low	124 Å²	124	137.7 Å²	137.7	84%	0.838	72%	0.723	S	S	*	*			cis	-163.9	-170.7	-23.3	-104.5	0	0	0	0	112.2
362	L	23.3	Very low	26.3	Very low	156 Å²	156	132.2 Å²	132.2	82%	0.817	72%	0.721	S	S	*	*			trans	-105.7	156.9	-169.9	-58.7	160.1	0	0	0	115.5
363	N	21.2	Very low	26.3	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	74%	0.739	S	S	*	*				145	155.4	127.9	-87.4	-44.8	0	0	0	119.3
364	L	22.6	Very low	26.2	Very low	140 Å²	140	135.4 Å²	135.4	73%	0.733	75%	0.745	S	S	*	*			trans	61.4	128.7	161.7	-89.2	57.7	0	0	0	118
365	Q	24.7	Very low	26.3	Very low	155 Å²	155	137 Å²	137	72%	0.724	75%	0.749	S	S	*	*				76.5	130.7	61	-165.1	165.8	-5.6	0	0	111.3
366	E	25.3	Very low	26.1	Very low	145 Å²	145	136.7 Å²	136.7	68%	0.678	76%	0.762	S	S	*	*			cis	-157.3	161.4	24.9	-152.8	164.5	-115	0	0	113
367	S	23.8	Very low	26.1	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	77%	0.771	S	S	*	*				150.1	113.8	122.6	74.2	0	0	0	0	117
368	R	26.1	Very low	26	Very low	224 Å²	224	136.8 Å²	136.8	85%	0.845	77%	0.771	S	S	*	*				45.4	148.5	128.7	-72.5	-168.9	168	140.4	1.1	123.3
369	D	26	Very low	26.3	Very low	114 Å²	114	143.9 Å²	143.9	61%	0.61	78%	0.777	S	S	*	*			cis	-174.3	173.4	-25.4	-136.9	-52	0	0	0	110.8
370	H	26.6	Very low	25.5	Very low	163 Å²	163	144.5 Å²	144.5	76%	0.755	77%	0.773	S	S	*	*			trans	71.6	143.8	161.1	-57.4	-23.8	0	0	0	119.1
371	S	24.7	Very low	26	Very low	103 Å²	103	144.3 Å²	144.3	72%	0.72	77%	0.767	S	S	*	*			cis	-168.3	147	-13.2	51.6	0	0	0	0	114
372	A	26.5	Very low	26.7	Very low	88 Å²	88	145.3 Å²	145.3	73%	0.727	76%	0.764	S	S	*	*			trans	52.6	123.6	143.2	0	0	0	0	0	121.4
373	L	26.2	Very low	27.2	Very low	171 Å²	171	145.6 Å²	145.6	90%	0.895	76%	0.762	S	S	*	*				67.7	138	85.7	-116.3	87.4	0	0	0	114.3
374	S	25.5	Very low	27.7	Very low	95 Å²	95	147.3 Å²	147.3	66%	0.664	77%	0.765	S	S	*	*			cis	-165.6	146	9.3	61	0	0	0	0	115.2
375	R	27.8	Very low	28.1	Very low	243 Å²	243	148.6 Å²	148.6	92%	0.917	77%	0.773	S	S	*	*			trans	20.1	117.9	137.4	179.8	-167.1	-174.4	178.9	3.4	120.3
376	A	25.9	Very low	28.8	Very low	105 Å²	105	148.8 Å²	148.8	87%	0.868	77%	0.773	S	S	*	*			trans	-174.4	149.8	135.2	0	0	0	0	0	118
377	K	28.6	Very low	29	Very low	221 Å²	221	145.2 Å²	145.2	96%	0.961	78%	0.776	S	S	*	*			trans	-38.1	155.7	168.9	-92.3	175.1	163.5	-175.4	0	122
378	G	25.6	Very low	29.4	Very low	74 Å²	74	146.5 Å²	146.5	76%	0.763	78%	0.779	S	S	*	*			trans	138.1	133	159.3	0	0	0	0	0	109.9
379	R	29.5	Very low	29.6	Very low	216 Å²	216	140.5 Å²	140.5	82%	0.815	78%	0.778	S	S	*	*			cis	81.6	128.1	16	-149.3	-167.3	-165.8	-88.8	-4.7	117.1
380	L	31.5	Very low	29.7	Very low	126 Å²	126	142.6 Å²	142.6	66%	0.66	78%	0.784	S	S	*	*			trans	78.3	152.6	-179.1	-53.7	172.2	0	0	0	114.1
381	D	32.1	Very low	29.7	Very low	121 Å²	121	140.5 Å²	140.5	65%	0.647	78%	0.778	S	S	*	*			cis	-171.3	172.6	-46.7	-92.9	-5.5	0	0	0	106.4
382	D	36.6	Very low	29.8	Very low	145 Å²	145	141 Å²	141	78%	0.775	78%	0.781	S	S	*	*			trans	71.9	120.2	157.1	-58	-20.1	0	0	0	123.9
383	E	35.4	Very low	29.8	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	78%	0.782	S	S	*	*				72.8	141.1	126.1	-55.5	-75.9	67.6	0	0	125
384	E	31.3	Very low	30	Very low	182 Å²	182	140.8 Å²	140.8	85%	0.85	78%	0.782	S	S	*	*			trans	47.7	127.4	149.9	-63.8	-176	153.3	0	0	123.8
385	D	31.7	Very low	30.3	Very low	166 Å²	166	144.4 Å²	144.4	89%	0.888	79%	0.789	S	S	*	*				-159.7	160	109.4	-158.3	5.8	0	0	0	111.8
386	E	37.7	Very low	30.4	Very low	159 Å²	159	141 Å²	141	74%	0.743	79%	0.788	S	S	*	*			trans	-87.1	169	-177.8	-102.1	-80	-176.1	0	0	113.9
387	G	31	Very low	30.5	Very low	70 Å²	70	139.6 Å²	139.6	72%	0.722	79%	0.785	S	S	*	*			trans	-154.7	23	-165.5	0	0	0	0	0	118	A389	G387-A389 PolarHBondContact O-N 3.07Å
388	V	30.8	Very low	30.4	Very low	127 Å²	127	138.1 Å²	138.1	77%	0.77	78%	0.781	S	S	*	*			trans	-65.6	123.9	-177.8	179.3	0	0	0	0	113.1
389	A	30.4	Very low	30.4	Very low	99 Å²	99	139.8 Å²	139.8	82%	0.818	78%	0.781	S	S	*	*			trans	-135.5	144.5	162.8	0	0	0	0	0	110.3	G387	G387-A389 PolarHBondContact O-N 3.07Å
390	Q	28.6	Very low	30.1	Very low	157 Å²	157	135.1 Å²	135.1	73%	0.734	78%	0.777	S	S	*	*			trans	-146.7	155	-162.1	-140.9	-164.1	20.5	0	0	112.9
391	N	26.4	Very low	29.8	Very low	120 Å²	120	136.5 Å²	136.5	64%	0.642	78%	0.784	S	S	*	*			trans	76.1	107.5	156.7	-49.5	-38.1	0	0	0	121
392	S	26.1	Very low	29.4	Very low	113 Å²	113	136.6 Å²	136.6	79%	0.79	79%	0.794	S	S	*	*				-179.2	122.4	124	58.5	0	0	0	0	108.3
393	S	28.1	Very low	28.9	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	79%	0.79	S	S	*	*			cis	75.4	103.6	25.4	-42.1	0	0	0	0	115
394	V	29.6	Very low	28.4	Very low	149 Å²	149	132.9 Å²	132.9	90%	0.903	79%	0.79	S	S	*	*			trans	-171.9	152.3	137.8	141	0	0	0	0	108.5
395	E	32.6	Very low	28.1	Very low	171 Å²	171	131.8 Å²	131.8	80%	0.799	79%	0.785	S	S	*	*			trans	-102.3	166.8	-170.9	-60.5	163	118.7	0	0	112.4
396	D	29.7	Very low	27.8	Very low	171 Å²	171	130 Å²	130	91%	0.914	78%	0.78	S	S	*	*				161	152.7	121.3	-94.2	-34.2	0	0	0	114.4
397	G	27.5	Very low	27.1	Very low	77 Å²	77	129 Å²	129	79%	0.794	78%	0.775	S	S	*	*			trans	120.1	92.1	152.7	0	0	0	0	0	118.3
398	E	25.6	Very low	26.9	Very low	189 Å²	189	132.4 Å²	132.4	88%	0.883	77%	0.771	S	S	*	*			trans	-87.2	-174.9	170.1	-59.4	-177.9	99	0	0	113.9
399	S	25.9	Very low	26.5	Very low	109 Å²	109	135 Å²	135	76%	0.762	77%	0.774	S	S	*	*			trans	89.2	145.7	149.6	-68.2	0	0	0	0	119.6
400	V	24.5	Very low	26.2	Very low	119 Å²	119	134.1 Å²	134.1	72%	0.721	77%	0.774	S	S	*	*			cis	-164	153.4	-16	115.2	0	0	0	0	111.1
401	L	24.5	Very low	25.9	Very low	154 Å²	154	131.9 Å²	131.9	81%	0.806	78%	0.776	S	S	*	*			trans	20.6	135.3	159.3	-55.5	169.4	0	0	0	122.9
402	S	23.9	Very low	25.7	Very low	123 Å²	123	131.3 Å²	131.3	86%	0.86	78%	0.782	S	S	*	*				159.1	173.4	118.3	52.7	0	0	0	0	113.6
403	A	25.7	Very low	25.6	Very low	83 Å²	83	134.5 Å²	134.5	69%	0.686	78%	0.784	S	S	*	*				-169	136.1	-60.2	0	0	0	0	0	111.9
404	L	25.5	Very low	25.5	Very low	148 Å²	148	137 Å²	137	78%	0.775	79%	0.788	S	S	*	*			trans	56.8	130.6	154.8	-82.9	78.2	0	0	0	123.8
405	E	24.9	Very low	25.2	Very low	159 Å²	159	139.1 Å²	139.1	74%	0.743	79%	0.785	S	S	*	*			trans	72.8	165.7	142.8	-71.6	-165.2	78.6	0	0	119.4
406	T	25.1	Very low	25.4	Very low	127 Å²	127	136.7 Å²	136.7	78%	0.779	78%	0.784	S	S	*	*			cis	-134.6	-151	12.5	-27.5	0	0	0	0	113.5
407	E	23.5	Very low	25.1	Very low	138 Å²	138	136.4 Å²	136.4	65%	0.645	78%	0.781	S	S	*	*			trans	-108.2	162.3	-168	-68.5	-168.2	101.9	0	0	117.2
408	K	26.4	Very low	24.9	Very low	143 Å²	143	137.9 Å²	137.9	62%	0.622	78%	0.78	S	S	*	*			trans	87.5	120.9	134.2	-87.3	162.4	-176.6	146.7	0	124.5
409	Q	22.9	Very low	25	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	78%	0.779	S	S	*	*			trans	59.3	126.7	130.7	-67.1	172.7	-54.1	0	0	121.8
410	G	22.8	Very low	24.9	Very low	80 Å²	80	141.1 Å²	141.1	83%	0.825	78%	0.783	S	S	*	*			trans	167	85.5	162.3	0	0	0	0	0	118
411	S	22.5	Very low	25.1	Very low	110 Å²	110	141.4 Å²	141.4	77%	0.769	79%	0.785	S	S	*	*			trans	-19.7	139	166.3	55.2	0	0	0	0	122.5
412	S	22.5	Very low	25	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	78%	0.784	S	S	*	*			trans	77.9	105.6	131.1	-60.9	0	0	0	0	124
413	Q	23.4	Very low	25.1	Very low	181 Å²	181	141.1 Å²	141.1	85%	0.846	77%	0.774	S	S	*	*				83.2	152.9	118.2	-145.1	178.4	24.1	0	0	121.7
414	I	25.5	Very low	25.1	Very low	157 Å²	157	142.5 Å²	142.5	81%	0.805	78%	0.775	S	S	*	*			trans	97.8	131	162.6	-54.3	-178.8	0	0	0	118.6
415	K	24.3	Very low	25.3	Very low	193 Å²	193	142.9 Å²	142.9	84%	0.839	77%	0.77	S	S	*	*			trans	-136.2	165	172.9	-141.2	-172	-177.6	-178.8	0	104.8
416	P	36.3	Very low	25.3	Very low	121 Å²	121	141 Å²	141	79%	0.786	77%	0.765	S	S	*	*			cis	-128.8	-158.8	-2.9	43	-25.6	0	0	0	112.5
417	L	23	Very low	25.3	Very low	164 Å²	164	141.7 Å²	141.7	86%	0.859	77%	0.769	S	S	*	*			trans	-120.9	152.3	171	-179.7	62.8	0	0	0	110.9
418	S	24.4	Very low	25.5	Very low	109 Å²	109	143 Å²	143	76%	0.762	78%	0.775	S	S	*	*			trans	-152.2	152.8	175	179.9	0	0	0	0	110.3
419	Q	26.9	Very low	26.4	Very low	186 Å²	186	140.7 Å²	140.7	87%	0.869	77%	0.774	S	S	*	*			trans	-156.5	155.9	167.8	-125.5	169.5	1	0	0	114.1
420	Q	24.8	Very low	26.4	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	77%	0.773	S	S	*	*			trans	-106.2	-175.1	-170.6	-62.9	169.7	-34.6	0	0	112.6
421	V	27.9	Very low	26.6	Very low	125 Å²	125	139.9 Å²	139.9	76%	0.758	77%	0.768	S	S	*	*				162.7	151.1	98.6	159.1	0	0	0	0	105.9
422	T	23.4	Very low	26.8	Very low	128 Å²	128	140.8 Å²	140.8	79%	0.785	77%	0.769	S	S	*	*			cis	-141	-175.7	10.5	17.7	0	0	0	0	108.2
423	E	26.1	Very low	27	Very low	142 Å²	142	144.1 Å²	144.1	66%	0.664	77%	0.772	S	S	*	*			cis	-178.7	-156.1	-36.3	-162.8	-106	112	0	0	107.8
424	T	26	Very low	27	Very low	113 Å²	113	143.2 Å²	143.2	69%	0.693	77%	0.768	S	S	*	*			trans	88.2	85.9	165.1	73.8	0	0	0	0	120.5
425	K	29.5	Very low	26.9	Very low	155 Å²	155	142.4 Å²	142.4	67%	0.674	77%	0.765	S	S	*	*				56.8	148	122.9	-70.9	-178.1	148.5	-75.3	0	121.4
426	D	23.2	Very low	27.5	Very low	120 Å²	120	138.2 Å²	138.2	64%	0.642	76%	0.757	S	S	*	*			cis	-157.4	167.4	3.7	-108.4	-28.3	0	0	0	110.3
427	T	25.6	Very low	26.8	Very low	141 Å²	141	138 Å²	138	87%	0.865	76%	0.759	S	S	*	*			trans	123.5	139.8	157.9	-46.2	0	0	0	0	117.6
428	H	27.8	Very low	26.6	Very low	166 Å²	166	141.1 Å²	141.1	77%	0.769	76%	0.759	S	S	*	*			trans	-96.4	177.5	-170.8	-100	-114.4	0	0	0	113.9
429	P	46.1	Very low	26.8	Very low	94 Å²	94	141.8 Å²	141.8	61%	0.61	76%	0.758	S	S	*	*			cis	-149.3	-177.5	-39.7	43	-23.9	0	0	0	117.6
430	E	23.3	Very low	26.7	Very low	176 Å²	176	140.3 Å²	140.3	82%	0.822	75%	0.751	S	S	*	*			trans	33.1	141.2	138.4	-62.3	160.8	120.7	0	0	122.8
431	G	25.9	Very low	26.7	Very low	69 Å²	69	137.2 Å²	137.2	71%	0.711	74%	0.74	S	S	*	*			cis	167.5	162.9	-5.5	0	0	0	0	0	116.5
432	T	26.4	Very low	26.7	Very low	128 Å²	128	138.2 Å²	138.2	79%	0.785	74%	0.735	S	S	*	*			trans	70.2	101.8	146.6	-40.3	0	0	0	0	123.6
433	E	26.2	Very low	26.9	Very low	178 Å²	178	138.4 Å²	138.4	83%	0.832	74%	0.736	S	S	*	*				50.1	135.2	129.6	-58.5	-176.6	159.4	0	0	126.6
434	E	25.5	Very low	26.9	Very low	163 Å²	163	138.7 Å²	138.7	76%	0.762	74%	0.741	S	S	*	*			trans	55.4	120.2	144	-65.7	-144.3	135.5	0	0	126.6
435	L	22.9	Very low	26.8	Very low	140 Å²	140	144 Å²	144	73%	0.733	75%	0.748	S	S	*	*			trans	68.6	172.4	136.4	-60.1	172.2	0	0	0	119.2
436	P	37.2	Very low	26.5	Very low	104 Å²	104	147.1 Å²	147.1	68%	0.675	76%	0.756	S	S	*	*				-136.1	157.1	-63.6	39.9	-25.4	0	0	0	117.2
437	S	20	Very low	26.6	Very low	117 Å²	117	149 Å²	149	82%	0.818	77%	0.765	S	S	*	*			trans	76.4	147.7	145.9	79.9	0	0	0	0	124
438	R	20.6	Very low	26.4	Very low	229 Å²	229	147.7 Å²	147.7	86%	0.864	76%	0.762	S	S	*	*			trans	102.8	157.9	154.8	-156.5	161.6	175.7	170.3	-1	118.6
439	V	27.4	Very low	26.4	Very low	124 Å²	124	147.9 Å²	147.9	75%	0.752	77%	0.768	S	S	*	*			trans	-128.9	167.9	-146.8	-175.6	0	0	0	0	112.5
440	E	25.3	Very low	25.3	Very low	155 Å²	155	150.5 Å²	150.5	72%	0.724	77%	0.772	S	S	*	*			trans	106.8	139.2	171.3	-59.8	173.9	-134.1	0	0	113.2
441	D	25.2	Very low	25.2	Very low	114 Å²	114	149.6 Å²	149.6	61%	0.61	77%	0.767	S	S	*	*			cis	-161	160.7	40.2	-154.7	13.1	0	0	0	119.5
442	K	28.4	Very low	25.1	Very low	147 Å²	147	150.9 Å²	150.9	64%	0.639	77%	0.771	S	S	*	*			trans	28.7	112.2	153.8	-79.4	163.5	-153.2	78.7	0	125.9
443	T	26	Very low	25	Very low	131 Å²	131	149.2 Å²	149.2	80%	0.804	77%	0.765	S	S	*	*				37.1	143.6	122.9	55.4	0	0	0	0	125.3
444	L	26	Very low	24.8	Very low	148 Å²	148	148.9 Å²	148.9	78%	0.775	76%	0.763	S	S	*	*			trans	-163.1	138.1	140.3	-103.6	173.8	0	0	0	115.5
445	R	24.2	Very low	24.8	Very low	224 Å²	224	146.2 Å²	146.2	85%	0.845	76%	0.758	S	S	*	*			trans	65.2	161.3	154	-69.5	168.6	-173.9	-169.6	3	121.6
446	R	23.5	Very low	24.8	Very low	222 Å²	222	145.8 Å²	145.8	84%	0.838	75%	0.752	S	S	*	*			cis	175.2	118.8	-38.5	166	177.5	144	167.6	-6	111
447	L	24.6	Very low	24.1	Very low	159 Å²	159	149.3 Å²	149.3	83%	0.832	75%	0.752	S	S	*	*			trans	19	128	149	-59.8	169.3	0	0	0	123.2
448	S	22.7	Very low	24.2	Very low	114 Å²	114	154.1 Å²	154.1	80%	0.797	75%	0.752	S	S	*	*				169.7	121.3	120.6	37.7	0	0	0	0	110.5
449	L	26.6	Very low	24.6	Very low	170 Å²	170	146.2 Å²	146.2	89%	0.89	74%	0.742	S	S	*	*				74.5	126.9	74.5	-96.1	171.4	0	0	0	115.8
450	Q	22.9	Very low	25.6	Very low	149 Å²	149	145.9 Å²	145.9	70%	0.696	74%	0.743	S	S	*	*				177	146.5	110.5	-170.8	146.9	-8.7	0	0	113.4
451	E	21.9	Very low	25.4	Very low	156 Å²	156	144.3 Å²	144.3	73%	0.729	74%	0.739	S	S	*	*			trans	48.7	131	166.7	-79.3	135.4	-152	0	0	120.9
452	A	23.2	Very low	25.5	Very low	96 Å²	96	148.6 Å²	148.6	79%	0.793	75%	0.747	S	S	*	*			cis	81.7	143.6	33	0	0	0	0	0	114.2
453	S	25.8	Very low	25.7	Very low	94 Å²	94	149.5 Å²	149.5	66%	0.657	76%	0.758	S	S	*	*			cis	-138.5	-160.4	7.5	61.9	0	0	0	0	110.3
454	E	21.7	Very low	25.8	Very low	170 Å²	170	148.2 Å²	148.2	79%	0.794	76%	0.76	S	S	*	*			cis	-170.8	172.4	-1.4	-125.3	162.7	109.4	0	0	105.6
455	V	25.1	Very low	26.4	Very low	107 Å²	107	150.7 Å²	150.7	65%	0.648	77%	0.768	S	S	*	*			cis	-164.1	160.8	-6.5	76.5	0	0	0	0	110.9
456	E	22.5	Very low	26.8	Very low	132 Å²	132	144 Å²	144	62%	0.617	77%	0.768	S	S	*	*			trans	62.6	151.8	157.7	-63.6	-149.9	116.2	0	0	120.9
457	R	23.6	Very low	27.8	Very low	178 Å²	178	137.8 Å²	137.8	67%	0.672	75%	0.752	S	S	*	*			cis	-154.3	154.8	-3	-133.9	-173.3	-84.4	166.1	-7.5	113.5
458	R	20.8	Very low	28.8	Very low	218 Å²	218	140.3 Å²	140.3	82%	0.823	75%	0.75	S	S	*	*			trans	66.6	127.8	148.6	-85.3	-176.8	-177.2	-142.4	-0.7	122.5
459	G	30.3	Very low	30	Very low	63 Å²	63	141.1 Å²	141.1	65%	0.649	75%	0.75	S	S	*	*				-90.8	-167.6	128.5	0	0	0	0	0	111
460	P	46.8	Very low	31	Very low	117 Å²	117	135.3 Å²	135.3	76%	0.76	73%	0.732	S	S	*	*			cis	-141.5	-157.6	25.2	44.3	-24.6	0	0	0	115.4
461	D	22.3	Very low	32.1	Very low	122 Å²	122	135.3 Å²	135.3	65%	0.652	73%	0.732	S	S	*	*			trans	86	116.8	154.4	-83.6	-44	0	0	0	122.8
462	R	26.8	Very low	33.4	Very low	203 Å²	203	135.8 Å²	135.8	77%	0.766	73%	0.734	S	S	*	*				59.4	120.6	128.4	-68.2	169	-162.8	-111.5	-2.8	123.3
463	L	31.7	Very low	34.6	Very low	166 Å²	166	134.3 Å²	134.3	87%	0.869	72%	0.722	S	S	*	*				44.9	103.1	122.8	-59.4	172.2	0	0	0	119.3
464	A	30.1	Very low	35.9	Very low	104 Å²	104	139.5 Å²	139.5	86%	0.86	73%	0.727	S	S	*	*			trans	-158.8	155.7	132.3	0	0	0	0	0	109.9
465	E	37.3	Very low	37.3	Very low	200 Å²	200	137.6 Å²	137.6	94%	0.935	72%	0.718	S	S	*	*			trans	-74.8	145.4	173.8	-67.1	168	108.4	0	0	111.3
466	G	32.6	Very low	38.6	Very low	83 Å²	83	139.5 Å²	139.5	86%	0.856	72%	0.717	S	S	*	*			trans	-167.7	47.2	-175.4	0	0	0	0	0	111.7
467	D	44.9	Very low	40.1	Very low	92 Å²	92	140.6 Å²	140.6	49%	0.492	72%	0.72	S	S	.	*			trans	-82	168.1	-164.7	-174.1	19.7	0	0	0	114
468	R	46.3	Very low	41.9	Very low	212 Å²	212	136 Å²	136	80%	0.8	71%	0.709	S	S	*	*	S	Bend	trans	83.3	18.7	157.9	-44.3	-164.2	178.6	-114.8	-33.5	121.9
469	V	47.8	Very low	43.2	Very low	131 Å²	131	130.1 Å²	130.1	79%	0.794	69%	0.691	S	S	*	*	S	Bend	trans	-133.3	-20.8	166.3	-166.6	0	0	0	0	114.2
470	G	46	Very low	44.4	Very low	49 Å²	49	131.2 Å²	131.2	51%	0.505	68%	0.679	S	S	.	*	S	Bend	trans	-89.3	-25.1	-173.4	0	0	0	0	0	116.6	R474	G470-R474 PolarHBondContact O-N 2.91Å
471	E	46.8	Very low	44.7	Very low	149 Å²	149	128.7 Å²	128.7	70%	0.696	66%	0.664	S	S	*	*	H	α-helix	trans	-79.6	-43.2	-169.3	-61.1	-160.5	135.9	0	0	112.9	A473 R474 Q475	E471-A473 PolarHBondContact O-N 2.88Å; E471-R474 PolarHBondContact O-N 2.7Å; E471-Q475 WeakPolarHBondContact O-CB 3.41Å; E471-Q475 PolarHBondContact O-N 2.66Å
472	E	48.8	Very low	46.4	Very low	165 Å²	165	128.2 Å²	128.2	77%	0.771	66%	0.658	S	S	*	*	H	α-helix	trans	-56.6	-39.4	176.7	-61.7	-170.7	154.4	0	0	112	Q475 K476	E472-Q475 PolarHBondContact O-N 3.05Å; E472-K476 WeakPolarHBondContact O-CB 3.29Å; E472-K476 PolarHBondContact O-N 3.42Å
473	A	50	Low	47.5	Very low	65 Å²	65	124 Å²	124	54%	0.537	65%	0.648	S	S	.	*	H	α-helix	trans	-66.6	-35.5	176.8	0	0	0	0	0	112.9	E471 K477	E471-A473 PolarHBondContact O-N 2.88Å; A473-K477 WeakPolarHBondContact O-CB 3.35Å; A473-K477 PolarHBondContact O-N 3.28Å; A473-K477 VanDerWaalsContact O-N 3.16Å
474	R	51.5	Low	48.3	Very low	204 Å²	204	122.8 Å²	122.8	77%	0.77	63%	0.632	S	S	*	*	H	α-helix	trans	-72.8	-44.9	174.3	-86.9	-177.4	156.2	131.6	-4.2	111.8	G470 E471 K476 K477 N478	G470-R474 PolarHBondContact O-N 2.91Å; E471-R474 PolarHBondContact O-N 2.7Å; R474-K476 VanDerWaalsContact C-N 3.33Å; R474-K476 PolarHBondContact O-N 3.35Å; R474-K477 PolarHBondContact O-N 3.19Å; R474-N478 PolarHBondContact O-N 2.72Å
475	Q	51.2	Low	49.2	Very low	130 Å²	130	121.4 Å²	121.4	61%	0.607	62%	0.616	S	S	*	*	H	α-helix	trans	-58	-47.5	177.6	-157.8	75.4	-15.5	0	0	110.8	E471 E472 N478 Q479	E471-Q475 WeakPolarHBondContact O-CB 3.41Å; E471-Q475 PolarHBondContact O-N 2.66Å; E472-Q475 PolarHBondContact O-N 3.05Å; Q475-N478 PolarHBondContact O-N 3.49Å; Q475-Q479 WeakPolarHBondContact O-CG 3.43Å; Q475-Q479 PolarHBondContact O-N 3.07Å
476	K	53.6	Low	50.3	Low	146 Å²	146	119.1 Å²	119.1	64%	0.635	60%	0.599	S	S	*	*	H	α-helix	trans	-64.8	-39	178.7	-164.7	169.8	-170.8	172.6	0	112.5	E472 R474 E480	E472-K476 WeakPolarHBondContact O-CB 3.29Å; E472-K476 PolarHBondContact O-N 3.42Å; R474-K476 VanDerWaalsContact C-N 3.33Å; R474-K476 PolarHBondContact O-N 3.35Å; K476-E480 WeakPolarHBondContact O-CB 3.28Å; K476-E480 PolarHBondContact O-N 3.38Å
477	K	54.2	Low	51.1	Low	156 Å²	156	119.3 Å²	119.3	68%	0.678	58%	0.58	S	S	*	*	H	α-helix	trans	-68	-37.1	174.7	-170.6	169.6	-176.8	173.4	0	112.6	A473 R474 E480 S481	A473-K477 WeakPolarHBondContact O-CB 3.35Å; A473-K477 PolarHBondContact O-N 3.28Å; A473-K477 VanDerWaalsContact O-N 3.16Å; R474-K477 PolarHBondContact O-N 3.19Å; K477-E480 PolarHBondContact O-N 3.06Å; K477-S481 PolarHBondContact O-N 2.71Å; K477-S481 PolarHBondContact O-OG 3Å
478	N	60.1	Low	51.2	Low	81 Å²	81	120.3 Å²	120.3	43%	0.433	59%	0.585	S	S	.	*	H	α-helix	trans	-65.9	-46.4	175.4	-164.2	79.6	0	0	0	111.1	R474 Q475 E480 S481 E482	R474-N478 PolarHBondContact O-N 2.72Å; Q475-N478 PolarHBondContact O-N 3.49Å; N478-E480 VanDerWaalsContact C-N 3.32Å; N478-E480 PolarHBondContact O-N 2.8Å; N478-S481 WeakPolarHBondContact CA-OG 3.39Å; N478-S481 PolarHBondContact O-N 3.44Å; N478-S481 VanDerWaalsContact O-N 3.1Å; N478-S481 PolarHBondContact O-OG 3.01Å; N478-E482 PolarHBondContact ND2-OE1 2.93Å; N478-E482 PolarHBondContact ND2-OE2 3.4Å; N478-E482 WeakPolarHBondContact O-CG 3.48Å; N478-E482 PolarHBondContact O-N 2.88Å
479	Q	48.7	Very low	51.2	Low	94 Å²	94	118.1 Å²	118.1	44%	0.439	58%	0.581	S	S	.	*	H	α-helix	trans	-59	-40.1	172.7	-73.9	177.7	-21.7	0	0	112.3	Q475 S481 E482 M483	Q475-Q479 WeakPolarHBondContact O-CG 3.43Å; Q475-Q479 PolarHBondContact O-N 3.07Å; Q479-S481 VanDerWaalsContact C-N 3.35Å; Q479-S481 PolarHBondContact O-N 3.33Å; Q479-E482 PolarHBondContact O-N 2.96Å; Q479-M483 HydrophobicContact CB-CE 4.42Å; Q479-M483 WeakPolarHBondContact O-CB 3.42Å; Q479-M483 VanDerWaalsContact O-CG 3.24Å; Q479-M483 WeakPolarHBondContact O-CG 3.1Å; Q479-M483 PolarHBondContact O-N 3.02Å
480	E	54.4	Low	51.1	Low	87 Å²	87	118.1 Å²	118.1	41%	0.407	57%	0.567	S	S	.	*	H	α-helix	trans	-62.6	-36.4	173.2	-102	-162.4	99.4	0	0	113.3	K476 K477 N478 R484	K476-E480 WeakPolarHBondContact O-CB 3.28Å; K476-E480 PolarHBondContact O-N 3.38Å; K477-E480 PolarHBondContact O-N 3.06Å; N478-E480 VanDerWaalsContact C-N 3.32Å; N478-E480 PolarHBondContact O-N 2.8Å; E480-R484 WeakPolarHBondContact O-CB 3.39Å; E480-R484 WeakPolarHBondContact O-CG 3.34Å; E480-R484 PolarHBondContact O-N 3.24Å; E480-R484 PolarHBondContact O-NH1 2.88Å; E480-R484 IonicContact OE1-CZ 2.85Å; E480-R484 IonicContact OE1-NH1 2.67Å; E480-R484 PolarHBondContact OE1-NH1 3.28Å; E480-R484 IonicContact OE1-NH2 3.57Å; E480-R484 PolarHBondContact OE1-NH2 3.38Å
481	S	53.1	Low	50.8	Low	63 Å²	63	123.2 Å²	123.2	44%	0.441	58%	0.579	S	S	.	*	H	α-helix	trans	-75	-34.5	174.5	44.3	0	0	0	0	112.9	K477 N478 Q479 S485	K477-S481 PolarHBondContact O-N 2.71Å; K477-S481 PolarHBondContact O-OG 3Å; N478-S481 WeakPolarHBondContact CA-OG 3.39Å; N478-S481 PolarHBondContact O-N 3.44Å; N478-S481 VanDerWaalsContact O-N 3.1Å; N478-S481 PolarHBondContact O-OG 3.01Å; Q479-S481 VanDerWaalsContact C-N 3.35Å; Q479-S481 PolarHBondContact O-N 3.33Å; S481-S485 WeakPolarHBondContact O-CB 3.38Å; S481-S485 PolarHBondContact O-N 3.27Å
482	E	58.8	Low	50.3	Low	113 Å²	113	123.9 Å²	123.9	53%	0.528	58%	0.583	S	S	.	*	H	α-helix	trans	-67.5	-43.8	173.5	-73.5	168.6	165.6	0	0	110.9	N478 Q479 S485 W486	N478-E482 PolarHBondContact ND2-OE1 2.93Å; N478-E482 PolarHBondContact ND2-OE2 3.4Å; N478-E482 WeakPolarHBondContact O-CG 3.48Å; N478-E482 PolarHBondContact O-N 2.88Å; Q479-E482 PolarHBondContact O-N 2.96Å; E482-S485 PolarHBondContact O-N 2.92Å; E482-W486 VanDerWaalsContact O-CB 3.22Å; E482-W486 WeakPolarHBondContact O-CB 3.34Å; E482-W486 PolarHBondContact O-N 2.83Å
483	M	48.9	Very low	50	Low	114 Å²	114	119.7 Å²	119.7	56%	0.562	57%	0.568	S	S	*	*	H	α-helix	trans	-62.9	-44.1	172.9	-71.1	175.6	-165	0	0	112.1	Q479 W486 L487	Q479-M483 HydrophobicContact CB-CE 4.42Å; Q479-M483 WeakPolarHBondContact O-CB 3.42Å; Q479-M483 VanDerWaalsContact O-CG 3.24Å; Q479-M483 WeakPolarHBondContact O-CG 3.1Å; Q479-M483 PolarHBondContact O-N 3.02Å; M483-W486 PolarHBondContact O-N 2.95Å; M483-L487 WeakPolarHBondContact O-CB 3.46Å; M483-L487 VanDerWaalsContact O-CG 3.25Å; M483-L487 WeakPolarHBondContact O-CG 3.29Å; M483-L487 PolarHBondContact O-N 3.24Å
484	R	49.4	Very low	49.4	Very low	140 Å²	140	120.8 Å²	120.8	53%	0.528	57%	0.569	S	S	.	*	H	α-helix	trans	-64.9	-40.2	175.5	-78.1	-172.2	-174.8	83.4	-0.2	112.3	E480 L487 L488	E480-R484 WeakPolarHBondContact O-CB 3.39Å; E480-R484 WeakPolarHBondContact O-CG 3.34Å; E480-R484 PolarHBondContact O-N 3.24Å; E480-R484 PolarHBondContact O-NH1 2.88Å; E480-R484 IonicContact OE1-CZ 2.85Å; E480-R484 IonicContact OE1-NH1 2.67Å; E480-R484 PolarHBondContact OE1-NH1 3.28Å; E480-R484 IonicContact OE1-NH2 3.57Å; E480-R484 PolarHBondContact OE1-NH2 3.38Å; R484-L487 PolarHBondContact O-N 3.33Å; R484-L488 WeakPolarHBondContact O-CB 3.43Å; R484-L488 PolarHBondContact O-N 3.43Å
485	S	49.5	Very low	48.9	Very low	75 Å²	75	118.5 Å²	118.5	52%	0.524	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-43.9	174.8	-175.5	0	0	0	0	111.7	S481 E482 K489	S481-S485 WeakPolarHBondContact O-CB 3.38Å; S481-S485 PolarHBondContact O-N 3.27Å; E482-S485 PolarHBondContact O-N 2.92Å; S485-K489 WeakPolarHBondContact O-CB 3.27Å; S485-K489 PolarHBondContact O-N 3.48Å
486	W	59.5	Low	48.2	Very low	152 Å²	152	119.8 Å²	119.8	58%	0.576	58%	0.577	S	S	*	*	H	α-helix	trans	-64.6	-42.1	176.2	-176.6	88.8	0	0	0	112.4	E482 M483 R490	E482-W486 VanDerWaalsContact O-CB 3.22Å; E482-W486 WeakPolarHBondContact O-CB 3.34Å; E482-W486 PolarHBondContact O-N 2.83Å; M483-W486 PolarHBondContact O-N 2.95Å; W486-R490 VanDerWaalsContact O-CB 3.27Å; W486-R490 WeakPolarHBondContact O-CB 3.44Å; W486-R490 PolarHBondContact O-N 2.89Å
487	L	49.1	Very low	47.2	Very low	88 Å²	88	119.6 Å²	119.6	46%	0.461	58%	0.583	S	S	.	*	H	α-helix	trans	-64.2	-50.6	174.2	-74	167.9	0	0	0	111.8	M483 R484 K489 R490 M491	M483-L487 WeakPolarHBondContact O-CB 3.46Å; M483-L487 VanDerWaalsContact O-CG 3.25Å; M483-L487 WeakPolarHBondContact O-CG 3.29Å; M483-L487 PolarHBondContact O-N 3.24Å; R484-L487 PolarHBondContact O-N 3.33Å; L487-K489 VanDerWaalsContact C-N 3.31Å; L487-K489 PolarHBondContact O-N 2.84Å; L487-R490 CarbonylContact O-C 3.48Å; L487-R490 WeakPolarHBondContact O-CA 3.42Å; L487-R490 PolarHBondContact O-N 3.12Å; L487-M491 WeakPolarHBondContact O-CG 3.42Å; L487-M491 PolarHBondContact O-N 3.34Å
488	L	46.9	Very low	46.3	Very low	112 Å²	112	118.7 Å²	118.7	59%	0.586	58%	0.583	S	S	*	*	H	α-helix	trans	-58.1	-42.8	176.2	-90.2	148.6	0	0	0	111.7	R484 R490 M491 Q492	R484-L488 WeakPolarHBondContact O-CB 3.43Å; R484-L488 PolarHBondContact O-N 3.43Å; L488-R490 VanDerWaalsContact C-N 3.25Å; L488-R490 PolarHBondContact O-N 3.47Å; L488-M491 PolarHBondContact O-N 3.39Å; L488-Q492 WeakPolarHBondContact O-CB 3.45Å; L488-Q492 PolarHBondContact O-N 2.81Å; L488-Q492 VanDerWaalsContact O-N 3.1Å
489	K	47.9	Very low	45.1	Very low	167 Å²	167	119.2 Å²	119.2	73%	0.726	59%	0.585	S	S	*	*	H	α-helix	trans	-68	-23.3	176.7	-165.4	170.4	-176.4	179.7	0	113.2	S485 L487	S485-K489 WeakPolarHBondContact O-CB 3.27Å; S485-K489 PolarHBondContact O-N 3.48Å; L487-K489 VanDerWaalsContact C-N 3.31Å; L487-K489 PolarHBondContact O-N 2.84Å
490	R	45.3	Very low	44.2	Very low	131 Å²	131	121.8 Å²	121.8	49%	0.494	60%	0.601	S	S	.	*	H	α-helix	trans	-89.1	-16.4	173.9	-166	170	-177.7	165.2	-1.3	113.4	W486 L487 L488 M498	W486-R490 VanDerWaalsContact O-CB 3.27Å; W486-R490 WeakPolarHBondContact O-CB 3.44Å; W486-R490 PolarHBondContact O-N 2.89Å; L487-R490 CarbonylContact O-C 3.48Å; L487-R490 WeakPolarHBondContact O-CA 3.42Å; L487-R490 PolarHBondContact O-N 3.12Å; L488-R490 VanDerWaalsContact C-N 3.25Å; L488-R490 PolarHBondContact O-N 3.47Å; R490-M498 HydrophobicContact CG-SD 4.39Å; R490-M498 PolarHBondContact NE-SD 3.4Å; R490-M498 PolarHBondContact NH2-SD 3.07Å
491	M	39.2	Very low	43	Very low	156 Å²	156	120.9 Å²	120.9	77%	0.768	60%	0.603	S	S	*	*	H	α-helix	trans	-94.7	-10	174.4	-69.5	177.5	71.2	0	0	113.9	L487 L488	L487-M491 WeakPolarHBondContact O-CG 3.42Å; L487-M491 PolarHBondContact O-N 3.34Å; L488-M491 PolarHBondContact O-N 3.39Å
492	Q	36.2	Very low	42.1	Very low	163 Å²	163	122 Å²	122	76%	0.762	61%	0.61	S	S	*	*	S	Bend	trans	-100.1	-2.6	-178.9	-156.7	74.6	88	0	0	113.5	L488	L488-Q492 WeakPolarHBondContact O-CB 3.45Å; L488-Q492 PolarHBondContact O-N 2.81Å; L488-Q492 VanDerWaalsContact O-N 3.1Å
493	V	43.4	Very low	41	Very low	76 Å²	76	124.1 Å²	124.1	46%	0.461	62%	0.62	S	S	.	*	S	Bend	trans	-91.1	141.2	170.5	-179.7	0	0	0	0	108.2
494	P	35.8	Very low	40.4	Very low	88 Å²	88	123.9 Å²	123.9	57%	0.571	62%	0.618	S	S	*	*			trans	-52.1	144.9	174.3	-27.8	36.2	0	0	0	112.9	E496	P494-E496 WeakPolarHBondContact CB-OE2 3.26Å; P494-E496 PolarHBondContact O-N 3.1Å
495	I	40.7	Very low	39.8	Very low	157 Å²	157	125.6 Å²	125.6	81%	0.805	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	45.9	-173.8	-42	-179.1	0	0	0	110.7
496	E	36.7	Very low	39.5	Very low	156 Å²	156	126.5 Å²	126.5	73%	0.729	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.2	-28.9	-177.4	-68.2	163.4	146.2	0	0	110.2	P494	P494-E496 WeakPolarHBondContact CB-OE2 3.26Å; P494-E496 PolarHBondContact O-N 3.1Å
497	D	34.2	Very low	38.7	Very low	142 Å²	142	125.2 Å²	125.2	76%	0.759	63%	0.634	S	S	*	*	S	Bend	trans	-100.8	12.4	-172.3	-111.4	-8.5	0	0	0	114.9
498	M	35	Very low	38.7	Very low	138 Å²	138	126 Å²	126	68%	0.68	64%	0.638	S	S	*	*	S	Bend	trans	-134.2	10.6	173.2	-86.4	-149.8	156.1	0	0	115.5	R490	R490-M498 HydrophobicContact CG-SD 4.39Å; R490-M498 PolarHBondContact NE-SD 3.4Å; R490-M498 PolarHBondContact NH2-SD 3.07Å
499	L	34.5	Very low	39.2	Very low	91 Å²	91	124.1 Å²	124.1	48%	0.476	63%	0.633	S	S	.	*	S	Bend	trans	-92.3	140.6	150.7	-61.6	175.6	0	0	0	106.9
500	L	29.1	Very low	40	Very low	149 Å²	149	119.5 Å²	119.5	78%	0.78	62%	0.62	S	S	*	*	S	Bend	trans	-59	130.7	148.6	-73.2	169.2	0	0	0	105.8	S502	L500-S502 PolarHBondContact O-N 3.34Å
501	P	29.6	Very low	41.1	Very low	67 Å²	67	114 Å²	114	44%	0.435	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-48.5	130.3	-151.4	-32.5	35.1	0	0	0	113.9	E503 E504	P501-E503 PolarHBondContact O-N 2.77Å; P501-E504 HydrophobicContact CB-CB 4.34Å; P501-E504 WeakPolarHBondContact O-CB 3.49Å; P501-E504 PolarHBondContact O-N 3.32Å
502	S	34.9	Very low	43	Very low	86 Å²	86	107.8 Å²	107.8	60%	0.601	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-8.8	177.8	39.5	0	0	0	0	113.6	L500	L500-S502 PolarHBondContact O-N 3.34Å
503	E	35.3	Very low	45.1	Very low	159 Å²	159	100 Å²	100	74%	0.743	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-3	170.4	-57.8	-175.8	131.4	0	0	113.6	P501 K507	P501-E503 PolarHBondContact O-N 2.77Å; E503-K507 VanDerWaalsContact O-CE 3.25Å; E503-K507 WeakPolarHBondContact O-CE 3.37Å
504	E	35.8	Very low	46.9	Very low	109 Å²	109	96.4 Å²	96.4	51%	0.509	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-27.9	177.5	-159.9	110.8	-98.5	0	0	112.3	P501 S506 K507	P501-E504 HydrophobicContact CB-CB 4.34Å; P501-E504 WeakPolarHBondContact O-CB 3.49Å; P501-E504 PolarHBondContact O-N 3.32Å; E504-S506 PolarHBondContact O-N 2.8Å; E504-S506 VanDerWaalsContact O-N 3.08Å; E504-K507 HydrophobicContact CG-CD 4.44Å; E504-K507 PolarHBondContact O-N 3.28Å; E504-K507 WeakPolarHBondContact OE1-CE 3.45Å; E504-K507 IonicContact OE1-NZ 3.54Å; E504-K507 PolarHBondContact OE1-NZ 2.99Å
505	K	37.9	Very low	49.1	Very low	176 Å²	176	92.3 Å²	92.3	77%	0.765	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	8.2	179.8	-66.9	-169.3	176.2	-174.6	0	115.1
506	S	41.6	Very low	50.8	Low	93 Å²	93	87.1 Å²	87.1	65%	0.65	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.4	6.3	-178	52.5	0	0	0	0	113.5	E504	E504-S506 PolarHBondContact O-N 2.8Å; E504-S506 VanDerWaalsContact O-N 3.08Å
507	K	44.1	Very low	52.7	Low	126 Å²	126	79.8 Å²	79.8	55%	0.548	42%	0.421	S	S	.	.	S	Bend	trans	-78.5	-28.5	-174.4	-70.3	-177.3	-179.9	174.2	0	114.7	E503 E504	E503-K507 VanDerWaalsContact O-CE 3.25Å; E503-K507 WeakPolarHBondContact O-CE 3.37Å; E504-K507 HydrophobicContact CG-CD 4.44Å; E504-K507 PolarHBondContact O-N 3.28Å; E504-K507 WeakPolarHBondContact OE1-CE 3.45Å; E504-K507 IonicContact OE1-NZ 3.54Å; E504-K507 PolarHBondContact OE1-NZ 2.99Å
508	N	47.9	Very low	54.3	Low	104 Å²	104	74.7 Å²	74.7	56%	0.556	40%	0.403	S	S	*	.	S	Bend	trans	-140.6	141.9	177.5	-31.8	-82.4	0	0	0	111.6
509	P	59	Low	56.1	Low	73 Å²	73	73.5 Å²	73.5	47%	0.474	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-72.7	163.2	176.4	31.7	-35.6	0	0	0	112.7	Q552	P509-Q552 PolarHBondContact O-OE1 2.85Å
510	P	63.6	Low	57.9	Low	70 Å²	70	73.5 Å²	73.5	46%	0.455	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-69	134.2	167.4	30.5	-33.8	0	0	0	110.3	F512	P510-F512 WeakPolarHBondContact O-CE2 3.22Å
511	M	69.4	Low	60.1	Low	14 Å²	14	67.1 Å²	67.1	7%	0.069	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	145.4	-177.9	-63.1	-66.3	-69.5	0	0	111.3	L244 Y245 D246 A549 V550 Q552 V555	L244-M511 HydrophobicContact CD1-CB 3.69Å; L244-M511 HydrophobicContact CD2-CB 4.07Å; L244-M511 HydrophobicContact CD2-CE 4.2Å; L244-M511 HydrophobicContact CD2-CG 4.39Å; L244-M511 HydrophobicContact CG-CB 3.88Å; L244-M511 HydrophobicContact CG-CE 4.02Å; Y245-M511 WeakPolarHBondContact O-CE 3.31Å; D246-M511 HydrophobicContact CB-CE 4.43Å; D246-M511 HydrophobicContact CB-SD 4.44Å; M511-A549 WeakPolarHBondContact O-CA 3.22Å; M511-V550 PolarHBondContact N-O 2.97Å; M511-V550 PolarHBondContact O-N 2.91Å; M511-Q552 HydrophobicContact CG-CB 4.31Å; M511-Q552 HydrophobicContact CG-CG 4.27Å; M511-V555 HydrophobicContact CB-CG2 4.3Å; M511-V555 HydrophobicContact CG-CG2 4.29Å
512	F	78.4	Confident	62.3	Low	26 Å²	26	71 Å²	71	11%	0.114	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	103.5	-175.2	-59.7	-81.1	0	0	0	111.3	F193 Y245 D246 V248 P510 W547 A549	F193-F512 HydrophobicContact CE2-CD1 4.19Å; F193-F512 HydrophobicContact CE2-CE1 4.14Å; F193-F512 HydrophobicContact CZ-CD1 4.34Å; F193-F512 AromaticContact CZ-CE1 3.88Å; F193-F512 HydrophobicContact CZ-CE1 3.88Å; Y245-F512 PolarHBondContact N-O 2.7Å; Y245-F512 PolarHBondContact O-N 2.63Å; D246-F512 WeakPolarHBondContact O-CE2 3.28Å; V248-F512 HydrophobicContact CB-CD1 3.81Å; V248-F512 HydrophobicContact CB-CD2 4.23Å; V248-F512 HydrophobicContact CB-CE1 3.69Å; V248-F512 HydrophobicContact CB-CE2 4.12Å; V248-F512 HydrophobicContact CB-CG 4.09Å; V248-F512 HydrophobicContact CB-CZ 3.85Å; V248-F512 HydrophobicContact CG1-CE1 4.45Å; V248-F512 HydrophobicContact CG1-CZ 4.33Å; V248-F512 HydrophobicContact CG2-CD1 3.96Å; V248-F512 HydrophobicContact CG2-CE1 4.03Å; P510-F512 WeakPolarHBondContact O-CE2 3.22Å; F512-W547 HydrophobicContact CB-CE3 4.33Å; F512-W547 HydrophobicContact CB-CZ3 4.39Å; F512-A549 HydrophobicContact CD1-CB 4Å; F512-A549 HydrophobicContact CE1-CB 3.88Å
513	L	80.9	Confident	64.3	Low	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	114.6	179.5	-178	64.8	0	0	0	110.1	L204 V242 A243 L244 F515 F548 V550 L558	L204-L513 HydrophobicContact CD2-CD2 3.9Å; V242-L513 HydrophobicContact CG1-CD1 3.51Å; A243-L513 WeakPolarHBondContact O-CA 3.21Å; L244-L513 HydrophobicContact CD1-CB 3.9Å; L244-L513 HydrophobicContact CD1-CD1 4.13Å; L513-F515 HydrophobicContact CD2-CE2 3.52Å; L513-F515 HydrophobicContact CD2-CZ 3.72Å; L513-F515 HydrophobicContact CG-CD2 4.31Å; L513-F515 HydrophobicContact CG-CE2 3.7Å; L513-F515 HydrophobicContact CG-CZ 4.09Å; L513-F548 HydrophobicContact CB-CB 4.46Å; L513-F548 WeakPolarHBondContact CB-O 3.47Å; L513-F548 PolarHBondContact N-O 3.42Å; L513-F548 PolarHBondContact O-N 3.22Å; L513-V550 HydrophobicContact CB-CG2 3.9Å; L513-V550 HydrophobicContact CD2-CG2 3.95Å; L513-L558 HydrophobicContact CD2-CD1 4.32Å
514	C	80.4	Confident	65.3	Low	0 Å²	0	65 Å²	65	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.6	178.7	179.4	0	0	0	0	110.6	V242 A243 Y245 Y546 W547	V242-C514 WeakPolarHBondContact CA-O 3.5Å; A243-C514 HydrophobicContact CB-CB 4.4Å; A243-C514 PolarHBondContact N-O 3.13Å; A243-C514 PolarHBondContact O-N 3.27Å; Y245-C514 HydrophobicContact CD2-CB 4.29Å; Y245-C514 HydrophobicContact CE2-CB 3.81Å; C514-Y546 WeakPolarHBondContact CA-O 3.33Å; C514-W547 HydrophobicContact CB-CD2 4Å; C514-W547 HydrophobicContact CB-CE3 4.1Å; C514-W547 HydrophobicContact CB-CH2 4.19Å; C514-W547 HydrophobicContact CB-CZ2 4.1Å; C514-W547 HydrophobicContact CB-CZ3 4.2Å; C514-W547 VanDerWaalsContact SG-CE2 3.53Å
515	F	81.3	Confident	66.2	Low	2 Å²	2	63.6 Å²	63.6	1%	0.009	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.9	168.6	-66.9	-86.9	0	0	0	110.1	L204 I211 V239 V242 L513 V517 E545 Y546 F548	L204-F515 HydrophobicContact CD2-CE2 4.11Å; L204-F515 HydrophobicContact CD2-CZ 4.33Å; I211-F515 HydrophobicContact CD1-CD1 3.85Å; I211-F515 HydrophobicContact CD1-CE1 3.46Å; I211-F515 VanDerWaalsContact CD1-CE1 3.46Å; I211-F515 HydrophobicContact CD1-CZ 4.21Å; I211-F515 HydrophobicContact CG1-CE1 4.2Å; I211-F515 HydrophobicContact CG2-CZ 4.2Å; V239-F515 HydrophobicContact CG1-CD1 4.42Å; V242-F515 HydrophobicContact CB-CD1 4.46Å; V242-F515 HydrophobicContact CB-CE1 4.49Å; V242-F515 HydrophobicContact CG1-CD1 4.09Å; V242-F515 HydrophobicContact CG1-CE1 3.82Å; V242-F515 HydrophobicContact CG1-CZ 4.34Å; V242-F515 HydrophobicContact CG2-CD1 3.72Å; V242-F515 HydrophobicContact CG2-CE1 3.82Å; L513-F515 HydrophobicContact CD2-CE2 3.52Å; L513-F515 HydrophobicContact CD2-CZ 3.72Å; L513-F515 HydrophobicContact CG-CD2 4.31Å; L513-F515 HydrophobicContact CG-CE2 3.7Å; L513-F515 HydrophobicContact CG-CZ 4.09Å; F515-V517 HydrophobicContact CB-CG2 4.27Å; F515-E545 CarbonylContact O-C 3.51Å; F515-E545 WeakPolarHBondContact O-CA 3.4Å; F515-Y546 PolarHBondContact N-O 2.8Å; F515-Y546 PolarHBondContact O-N 2.82Å; F515-F548 AromaticContact CD2-CD2 3.74Å; F515-F548 HydrophobicContact CD2-CD2 3.74Å; F515-F548 AromaticContact CD2-CE2 3.65Å; F515-F548 HydrophobicContact CD2-CE2 3.65Å; F515-F548 AromaticContact CE2-CD2 3.96Å; F515-F548 HydrophobicContact CE2-CD2 3.96Å; F515-F548 HydrophobicContact CE2-CE2 4.08Å
516	K	76.3	Confident	66.4	Low	49 Å²	49	58.8 Å²	58.8	21%	0.213	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.7	169.4	-51.2	-161.3	-176.4	-149.9	0	108.3	V240 S241 E545	V240-K516 WeakPolarHBondContact CB-O 3.39Å; V240-K516 PolarHBondContact N-O 2.93Å; S241-K516 PolarHBondContact N-O 3.31Å; S241-K516 PolarHBondContact O-N 2.99Å; K516-E545 HydrophobicContact CD-CG 4.2Å; K516-E545 WeakPolarHBondContact CD-OE1 3.41Å; K516-E545 WeakPolarHBondContact CE-OE1 3.35Å; K516-E545 HydrophobicContact CG-CG 4.1Å; K516-E545 IonicContact NZ-OE1 2.74Å; K516-E545 PolarHBondContact NZ-OE1 3Å; K516-E545 IonicContact NZ-OE2 3.66Å
517	V	76.6	Confident	66	Low	1 Å²	1	60.9 Å²	60.9	1%	0.006	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.3	-168.1	-165.7	0	0	0	0	109.4	C234 E238 F515 K519 M521 P544 Y546	C234-V517 WeakPolarHBondContact SG-CG1 3.34Å; E238-V517 HydrophobicContact CB-CG1 4.06Å; E238-V517 CarbonylContact O-C 3.56Å; E238-V517 WeakPolarHBondContact O-CA 3.01Å; E238-V517 WeakPolarHBondContact O-CG1 3.42Å; F515-V517 HydrophobicContact CB-CG2 4.27Å; V517-K519 WeakPolarHBondContact CB-O 3.27Å; V517-K519 WeakPolarHBondContact CG1-O 3.35Å; V517-K519 PolarHBondContact O-N 3.21Å; V517-M521 HydrophobicContact CG2-CG 4.18Å; V517-P544 PolarHBondContact N-O 3.46Å; V517-P544 WeakPolarHBondContact O-CD 3.3Å; V517-P544 VanDerWaalsContact O-CG 3.28Å; V517-P544 WeakPolarHBondContact O-CG 3.3Å; V517-Y546 HydrophobicContact CG2-CD2 3.93Å; V517-Y546 HydrophobicContact CG2-CE2 4.18Å
518	G	68.3	Low	65.3	Low	36 Å²	36	60.2 Å²	60.2	37%	0.371	34%	0.34	S	S	.	.	S	Bend	trans	-73.8	-4.9	-177.6	0	0	0	0	0	114.6	E238	E238-G518 PolarHBondContact O-N 3.12Å
519	K	73.9	Confident	64.5	Low	113 Å²	113	64.3 Å²	64.3	49%	0.491	36%	0.358	S	S	.	.	S	Bend	trans	-148.6	154.5	174.5	-60.1	178.6	-154	154.2	0	107.7	E238 V517 M521	E238-K519 HydrophobicContact CG-CD 4.44Å; E238-K519 WeakPolarHBondContact OE1-CD 3.14Å; E238-K519 WeakPolarHBondContact OE1-CE 3.34Å; E238-K519 IonicContact OE1-NZ 3.3Å; E238-K519 PolarHBondContact OE1-NZ 3.4Å; V517-K519 WeakPolarHBondContact CB-O 3.27Å; V517-K519 WeakPolarHBondContact CG1-O 3.35Å; V517-K519 PolarHBondContact O-N 3.21Å; K519-M521 PolarHBondContact O-N 2.76Å
520	P	72.4	Confident	63.5	Low	90 Å²	90	67.7 Å²	67.7	58%	0.584	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-61.2	137.7	172.7	25.5	-34	0	0	0	111	Y546	P520-Y546 WeakPolarHBondContact CA-OH 3.18Å
521	M	75.5	Confident	61.8	Low	15 Å²	15	69.6 Å²	69.6	7%	0.074	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-58.1	145.8	174.7	-65.1	178.8	76.4	0	0	110.5	L232 C234 V517 K519 Y546	L232-M521 HydrophobicContact CB-CB 4.28Å; L232-M521 HydrophobicContact CB-CE 3.59Å; L232-M521 HydrophobicContact CB-SD 4.16Å; L232-M521 HydrophobicContact CD1-CE 4.3Å; L232-M521 HydrophobicContact CD1-SD 4Å; L232-M521 HydrophobicContact CD2-CB 4.23Å; C234-M521 HydrophobicContact CB-CE 3.6Å; C234-M521 HydrophobicContact CB-CG 3.92Å; C234-M521 HydrophobicContact CB-SD 4.32Å; V517-M521 HydrophobicContact CG2-CG 4.18Å; K519-M521 PolarHBondContact O-N 2.76Å; M521-Y546 HydrophobicContact CB-CE1 4.16Å; M521-Y546 HydrophobicContact CB-CE2 4.16Å; M521-Y546 HydrophobicContact CG-CD1 4.47Å; M521-Y546 HydrophobicContact CG-CD2 3.9Å; M521-Y546 HydrophobicContact CG-CE1 4.2Å; M521-Y546 HydrophobicContact CG-CE2 3.58Å; M521-Y546 HydrophobicContact CG-CG 4.34Å; M521-Y546 PolarHBondContact N-OH 3.12Å; M521-Y546 HydrophobicContact SD-CD1 3.81Å; M521-Y546 HydrophobicContact SD-CD2 3.66Å; M521-Y546 HydrophobicContact SD-CE1 4.1Å; M521-Y546 HydrophobicContact SD-CE2 3.95Å; M521-Y546 HydrophobicContact SD-CG 3.58Å; M521-Y546 VanDerWaalsContact SD-CG 3.58Å
522	R	74.6	Confident	59.8	Low	149 Å²	149	74.5 Å²	74.5	56%	0.562	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	137.8	-176.3	-55.1	-178.6	-161.5	-178.9	8.7	109.5	L232 I233 E238 S524	L232-R522 CarbonylContact C-O 3.53Å; I233-R522 PolarHBondContact N-O 2.83Å; I233-R522 PolarHBondContact O-N 3.49Å; E238-R522 IonicContact OE1-NH2 2.7Å; E238-R522 PolarHBondContact OE1-NH2 2.98Å; E238-R522 IonicContact OE2-NE 2.68Å; E238-R522 IonicContact OE2-NH2 3.72Å; E238-R522 PolarHBondContact OE2-NH2 3.35Å; R522-S524 PolarHBondContact O-N 3.37Å
523	K	76.8	Confident	57.8	Low	89 Å²	89	79.3 Å²	79.3	39%	0.387	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	125.6	173.5	-73.8	179.3	176.3	174.6	0	110.3	E229 G231 F525 A526	E229-K523 WeakPolarHBondContact O-CE 3.47Å; E229-K523 WeakPolarHBondContact OE1-CE 3.46Å; E229-K523 IonicContact OE1-NZ 3.06Å; E229-K523 PolarHBondContact OE1-NZ 2.88Å; E229-K523 IonicContact OE2-NZ 2.72Å; E229-K523 PolarHBondContact OE2-NZ 3.33Å; G231-K523 CarbonylContact O-C 3.45Å; G231-K523 VanDerWaalsContact O-CA 3.23Å; G231-K523 WeakPolarHBondContact O-CA 3.06Å; K523-F525 PolarHBondContact O-N 2.68Å; K523-A526 HydrophobicContact CB-CB 4.06Å; K523-A526 PolarHBondContact O-N 2.86Å
524	S	57	Low	55.4	Low	29 Å²	29	83.3 Å²	83.3	20%	0.203	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.3	-167.3	-57.8	0	0	0	0	115.2	G231 L232 I233 R522	G231-S524 PolarHBondContact O-N 3.27Å; G231-S524 PolarHBondContact O-OG 3.24Å; L232-S524 PolarHBondContact N-OG 2.77Å; L232-S524 PolarHBondContact O-OG 2.88Å; I233-S524 WeakPolarHBondContact CG1-OG 3.49Å; R522-S524 PolarHBondContact O-N 3.37Å
525	F	55.2	Low	53.1	Low	80 Å²	80	89.6 Å²	89.6	35%	0.351	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-10.4	-170	-55.7	-89.5	0	0	0	113.8	C227 E228 K523 T527	C227-F525 WeakPolarHBondContact O-CE2 3.48Å; E228-F525 HydrophobicContact CB-CB 4Å; E228-F525 HydrophobicContact CB-CD2 4.15Å; E228-F525 HydrophobicContact CB-CG 4.31Å; E228-F525 HydrophobicContact CG-CB 3.56Å; E228-F525 HydrophobicContact CG-CD1 4.44Å; E228-F525 HydrophobicContact CG-CD2 3.95Å; E228-F525 HydrophobicContact CG-CG 3.74Å; E228-F525 VanDerWaalsContact OE2-CB 3.31Å; E228-F525 WeakPolarHBondContact OE2-CB 3.43Å; K523-F525 PolarHBondContact O-N 2.68Å; F525-T527 PolarHBondContact O-N 2.75Å; F525-T527 PolarHBondContact O-OG1 3.3Å
526	A	41.8	Very low	50.6	Low	76 Å²	76	93.8 Å²	93.8	63%	0.628	57%	0.566	S	S	*	*			trans	-67.4	89.7	-167.8	0	0	0	0	0	113.8	K523 C528	K523-A526 HydrophobicContact CB-CB 4.06Å; K523-A526 PolarHBondContact O-N 2.86Å; A526-C528 PolarHBondContact O-N 2.88Å
527	T	31.8	Very low	48.5	Very low	136 Å²	136	97.7 Å²	97.7	83%	0.834	59%	0.593	S	S	*	*			trans	-88.9	103.7	-179.3	-60	0	0	0	0	111.8	F525	F525-T527 PolarHBondContact O-N 2.75Å; F525-T527 PolarHBondContact O-OG1 3.3Å
528	C	31.1	Very low	46.4	Very low	112 Å²	112	109.6 Å²	109.6	76%	0.757	64%	0.638	S	S	*	*			trans	64.2	84.2	162	-161	0	0	0	0	117.8	A526	A526-C528 PolarHBondContact O-N 2.88Å
529	M	31.3	Very low	44.6	Very low	190 Å²	190	113.4 Å²	113.4	94%	0.936	65%	0.654	S	S	*	*			trans	-136.6	131.7	138.4	-85.9	-152.6	166.6	0	0	110.7
530	T	36.3	Very low	42.8	Very low	144 Å²	144	119.9 Å²	119.9	88%	0.883	68%	0.675	S	S	*	*			trans	-99.9	101.8	176.3	52.9	0	0	0	0	110.7
531	S	29.1	Very low	41.3	Very low	111 Å²	111	122.8 Å²	122.8	78%	0.776	68%	0.681	S	S	*	*			trans	-112.2	117.6	161.2	49.3	0	0	0	0	109
532	S	27.6	Very low	40.3	Very low	116 Å²	116	130.5 Å²	130.5	81%	0.811	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-70.4	133.6	174.4	-60.2	0	0	0	0	109.9	A534	S532-A534 PolarHBondContact O-N 3.08Å
533	P	36.6	Very low	39.8	Very low	127 Å²	127	128.3 Å²	128.3	83%	0.825	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-59.4	127.7	165	-20.2	32.3	0	0	0	109.5
534	A	28.8	Very low	39.5	Very low	84 Å²	84	125.5 Å²	125.5	69%	0.694	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-70.5	149	165.8	0	0	0	0	0	109.2	S532 S536	S532-A534 PolarHBondContact O-N 3.08Å; A534-S536 PolarHBondContact O-N 2.7Å
535	P	33.1	Very low	40.7	Very low	133 Å²	133	126.3 Å²	126.3	86%	0.864	70%	0.697	S	S	*	*			trans	-70.5	97.2	179.3	28.5	-34	0	0	0	110.6
536	S	29.3	Very low	41.9	Very low	90 Å²	90	123.9 Å²	123.9	63%	0.629	69%	0.686	S	S	*	*			trans	-63.9	147.5	167.1	49.6	0	0	0	0	110.4	A534	A534-S536 PolarHBondContact O-N 2.7Å
537	V	31	Very low	43.8	Very low	131 Å²	131	120.8 Å²	120.8	79%	0.794	66%	0.658	S	S	*	*			trans	-71.9	133	177.3	175.3	0	0	0	0	108.6	V539	V537-V539 PolarHBondContact O-N 3.3Å
538	R	33	Very low	46.3	Very low	251 Å²	251	114.3 Å²	114.3	95%	0.947	62%	0.618	S	S	*	*			trans	-57.4	94.6	-176.9	-70.2	-174.2	179.9	-175.1	-0.4	113
539	V	29.5	Very low	48.7	Very low	116 Å²	116	109.5 Å²	109.5	70%	0.703	59%	0.587	S	S	*	*			trans	-90	155.5	150.2	-178.5	0	0	0	0	107.3	V537 E541	V537-V539 PolarHBondContact O-N 3.3Å; V539-E541 PolarHBondContact O-N 3.16Å
540	R	36.5	Very low	51	Low	248 Å²	248	100.5 Å²	100.5	94%	0.936	54%	0.542	S	S	*	.			trans	-75.3	78.4	170.4	-80.1	-170.8	173.4	-147.5	2.9	110
541	E	40.3	Very low	52.9	Low	152 Å²	152	96 Å²	96	71%	0.71	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-65.7	138.7	165	-70.4	169.6	-169.5	0	0	109.2	V539	V539-E541 PolarHBondContact O-N 3.16Å
542	R	55.6	Low	54.6	Low	176 Å²	176	94.1 Å²	94.1	66%	0.664	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-72.3	151	173.1	-71	-173	-179.7	-179.8	4.8	109.5	Q252	Q252-R542 VanDerWaalsContact OE1-CZ 3.28Å
543	Q	63.6	Low	56.4	Low	104 Å²	104	96.8 Å²	96.8	49%	0.486	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-61.1	146.6	172.3	-60.2	-63.3	-6.4	0	0	110.3	E545	Q543-E545 PolarHBondContact O-N 3.36Å
544	P	71.7	Confident	58	Low	30 Å²	30	93.8 Å²	93.8	20%	0.195	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-66.6	128.6	173.1	26.9	-33.8	0	0	0	111	V517 Y546	V517-P544 PolarHBondContact N-O 3.46Å; V517-P544 WeakPolarHBondContact O-CD 3.3Å; V517-P544 VanDerWaalsContact O-CG 3.28Å; V517-P544 WeakPolarHBondContact O-CG 3.3Å; P544-Y546 HydrophobicContact CB-CE2 3.92Å
545	E	80.8	Confident	59.7	Low	46 Å²	46	90.2 Å²	90.2	22%	0.215	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.5	179.4	-49.9	-172.1	163	0	0	109.5	F515 K516 Q543	F515-E545 CarbonylContact O-C 3.51Å; F515-E545 WeakPolarHBondContact O-CA 3.4Å; K516-E545 HydrophobicContact CD-CG 4.2Å; K516-E545 WeakPolarHBondContact CD-OE1 3.41Å; K516-E545 WeakPolarHBondContact CE-OE1 3.35Å; K516-E545 HydrophobicContact CG-CG 4.1Å; K516-E545 IonicContact NZ-OE1 2.74Å; K516-E545 PolarHBondContact NZ-OE1 3Å; K516-E545 IonicContact NZ-OE2 3.66Å; Q543-E545 PolarHBondContact O-N 3.36Å
546	Y	81.8	Confident	61.1	Low	28 Å²	28	89.3 Å²	89.3	11%	0.11	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	125	-178.3	-63.8	-94.4	0	0	0	109.7	Y192 L232 C514 F515 V517 P520 M521 P544	Y192-Y546 AromaticContact CE2-CD1 3.94Å; Y192-Y546 HydrophobicContact CE2-CD1 3.94Å; Y192-Y546 WeakPolarHBondContact OH-CD1 3.34Å; L232-Y546 HydrophobicContact CD1-CD1 3.76Å; L232-Y546 HydrophobicContact CD1-CE1 4.12Å; L232-Y546 HydrophobicContact CD2-CE1 4.28Å; C514-Y546 WeakPolarHBondContact CA-O 3.33Å; F515-Y546 PolarHBondContact N-O 2.8Å; F515-Y546 PolarHBondContact O-N 2.82Å; V517-Y546 HydrophobicContact CG2-CD2 3.93Å; V517-Y546 HydrophobicContact CG2-CE2 4.18Å; P520-Y546 WeakPolarHBondContact CA-OH 3.18Å; M521-Y546 HydrophobicContact CB-CE1 4.16Å; M521-Y546 HydrophobicContact CB-CE2 4.16Å; M521-Y546 HydrophobicContact CG-CD1 4.47Å; M521-Y546 HydrophobicContact CG-CD2 3.9Å; M521-Y546 HydrophobicContact CG-CE1 4.2Å; M521-Y546 HydrophobicContact CG-CE2 3.58Å; M521-Y546 HydrophobicContact CG-CG 4.34Å; M521-Y546 PolarHBondContact N-OH 3.12Å; M521-Y546 HydrophobicContact SD-CD1 3.81Å; M521-Y546 HydrophobicContact SD-CD2 3.66Å; M521-Y546 HydrophobicContact SD-CE1 4.1Å; M521-Y546 HydrophobicContact SD-CE2 3.95Å; M521-Y546 HydrophobicContact SD-CG 3.58Å; M521-Y546 VanDerWaalsContact SD-CG 3.58Å; P544-Y546 HydrophobicContact CB-CE2 3.92Å
547	W	81.6	Confident	62.6	Low	11 Å²	11	86.9 Å²	86.9	4%	0.042	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.2	-168	-72.1	77.8	0	0	0	111.5	Y192 F193 Y245 R250 M251 F512 C514	Y192-W547 WeakPolarHBondContact CD2-O 3.32Å; F193-W547 HydrophobicContact CB-CB 4.11Å; F193-W547 PolarHBondContact N-O 3.4Å; Y245-W547 AromaticContact CD2-CH2 3.52Å; Y245-W547 HydrophobicContact CD2-CH2 3.52Å; Y245-W547 AromaticContact CD2-CZ3 3.46Å; Y245-W547 HydrophobicContact CD2-CZ3 3.46Å; Y245-W547 VanDerWaalsContact CD2-CZ3 3.46Å; Y245-W547 AromaticContact CE2-CH2 3.45Å; Y245-W547 HydrophobicContact CE2-CH2 3.45Å; Y245-W547 VanDerWaalsContact CE2-CH2 3.45Å; Y245-W547 HydrophobicContact CE2-CZ2 4.27Å; Y245-W547 AromaticContact CE2-CZ3 3.88Å; Y245-W547 HydrophobicContact CE2-CZ3 3.88Å; Y245-W547 HydrophobicContact CG-CZ3 4.46Å; R250-W547 HydrophobicContact CB-CH2 3.79Å; M251-W547 HydrophobicContact CB-CD2 4.25Å; M251-W547 HydrophobicContact CB-CZ2 4.48Å; M251-W547 HydrophobicContact CG-CD2 4.45Å; M251-W547 HydrophobicContact CG-CG 4.37Å; M251-W547 HydrophobicContact SD-CB 4.34Å; M251-W547 HydrophobicContact SD-CG 4.27Å; F512-W547 HydrophobicContact CB-CE3 4.33Å; F512-W547 HydrophobicContact CB-CZ3 4.39Å; C514-W547 HydrophobicContact CB-CD2 4Å; C514-W547 HydrophobicContact CB-CE3 4.1Å; C514-W547 HydrophobicContact CB-CH2 4.19Å; C514-W547 HydrophobicContact CB-CZ2 4.1Å; C514-W547 HydrophobicContact CB-CZ3 4.2Å; C514-W547 VanDerWaalsContact SG-CE2 3.53Å
548	F	84.4	Confident	64.4	Low	0 Å²	0	80.7 Å²	80.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	126.9	-177.3	-56.8	-95.9	0	0	0	111.3	K191 Y192 L204 F213 L232 L513 F515 V550	K191-F548 CarbonylContact O-C 3.56Å; K191-F548 VanDerWaalsContact O-CA 3.25Å; K191-F548 WeakPolarHBondContact O-CA 3.11Å; Y192-F548 AromaticContact CD2-CD1 3.93Å; Y192-F548 HydrophobicContact CD2-CD1 3.93Å; Y192-F548 AromaticContact CD2-CE1 3.49Å; Y192-F548 HydrophobicContact CD2-CE1 3.49Å; Y192-F548 VanDerWaalsContact CD2-CE1 3.49Å; Y192-F548 HydrophobicContact CD2-CE2 4.3Å; Y192-F548 AromaticContact CD2-CZ 3.71Å; Y192-F548 HydrophobicContact CD2-CZ 3.71Å; Y192-F548 HydrophobicContact CE2-CE1 4.43Å; Y192-F548 HydrophobicContact CE2-CZ 4.23Å; Y192-F548 HydrophobicContact CG-CD1 4.2Å; Y192-F548 AromaticContact CG-CE1 3.76Å; Y192-F548 HydrophobicContact CG-CE1 3.76Å; Y192-F548 HydrophobicContact CG-CZ 4.36Å; L204-F548 HydrophobicContact CD1-CE1 4.31Å; L204-F548 HydrophobicContact CD1-CZ 4.44Å; F213-F548 HydrophobicContact CB-CE1 3.97Å; F213-F548 HydrophobicContact CB-CZ 4.43Å; F213-F548 HydrophobicContact CD1-CE1 4.3Å; F213-F548 HydrophobicContact CD2-CD1 4.13Å; F213-F548 AromaticContact CD2-CE1 3.76Å; F213-F548 HydrophobicContact CD2-CE1 3.76Å; F213-F548 HydrophobicContact CE2-CD1 4.4Å; F213-F548 HydrophobicContact CE2-CE1 4.31Å; F213-F548 AromaticContact CG-CE1 3.75Å; F213-F548 HydrophobicContact CG-CE1 3.75Å; L232-F548 HydrophobicContact CD1-CZ 4.03Å; L513-F548 HydrophobicContact CB-CB 4.46Å; L513-F548 WeakPolarHBondContact CB-O 3.47Å; L513-F548 PolarHBondContact N-O 3.42Å; L513-F548 PolarHBondContact O-N 3.22Å; F515-F548 AromaticContact CD2-CD2 3.74Å; F515-F548 HydrophobicContact CD2-CD2 3.74Å; F515-F548 AromaticContact CD2-CE2 3.65Å; F515-F548 HydrophobicContact CD2-CE2 3.65Å; F515-F548 AromaticContact CE2-CD2 3.96Å; F515-F548 HydrophobicContact CE2-CD2 3.96Å; F515-F548 HydrophobicContact CE2-CE2 4.08Å; F548-V550 HydrophobicContact CB-CG2 4.44Å
549	A	81.1	Confident	65.8	Low	12 Å²	12	71.2 Å²	71.2	10%	0.099	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.8	167.8	0	0	0	0	0	110.5	C190 K191 F193 M511 F512	C190-A549 WeakPolarHBondContact CA-O 3.45Å; C190-A549 WeakPolarHBondContact CB-O 3.2Å; K191-A549 HydrophobicContact CB-CB 4.38Å; K191-A549 PolarHBondContact N-O 3.48Å; K191-A549 PolarHBondContact O-N 2.92Å; F193-A549 HydrophobicContact CE2-CB 3.8Å; F193-A549 HydrophobicContact CZ-CB 4.38Å; M511-A549 WeakPolarHBondContact O-CA 3.22Å; F512-A549 HydrophobicContact CD1-CB 4Å; F512-A549 HydrophobicContact CE1-CB 3.88Å
550	V	80.3	Confident	67.1	Low	1 Å²	1	68.1 Å²	68.1	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.7	-171.9	174.9	0	0	0	0	110.3	M188 C190 M511 L513 F548 Q552 L558	M188-V550 HydrophobicContact SD-CB 4.35Å; M188-V550 HydrophobicContact SD-CG1 3.57Å; M188-V550 VanDerWaalsContact SD-CG1 3.57Å; M188-V550 HydrophobicContact SD-CG2 3.81Å; C190-V550 HydrophobicContact CB-CG2 4.12Å; M511-V550 PolarHBondContact N-O 2.97Å; M511-V550 PolarHBondContact O-N 2.91Å; L513-V550 HydrophobicContact CB-CG2 3.9Å; L513-V550 HydrophobicContact CD2-CG2 3.95Å; F548-V550 HydrophobicContact CB-CG2 4.44Å; V550-Q552 PolarHBondContact O-N 2.95Å; V550-L558 HydrophobicContact CG1-CD1 4.14Å
551	P	74.4	Confident	68.4	Low	50 Å²	50	56.9 Å²	56.9	33%	0.325	28%	0.275	S	S	.	.			trans	-62.7	130.9	174.2	-21.7	33.3	0	0	0	112	S189 E553 R554	S189-P551 WeakPolarHBondContact O-CD 3.08Å; P551-E553 PolarHBondContact O-N 2.98Å; P551-R554 PolarHBondContact O-N 3.46Å
552	Q	65.3	Low	69.6	Low	71 Å²	71	49.9 Å²	49.9	33%	0.332	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-59.2	-32.7	-176.8	-172.6	167.8	-34.5	0	0	113.1	P509 M511 V550 R554 V555	P509-Q552 PolarHBondContact O-OE1 2.85Å; M511-Q552 HydrophobicContact CG-CB 4.31Å; M511-Q552 HydrophobicContact CG-CG 4.27Å; V550-Q552 PolarHBondContact O-N 2.95Å; Q552-R554 PolarHBondContact O-N 2.82Å; Q552-V555 VanDerWaalsContact O-CB 3.28Å; Q552-V555 WeakPolarHBondContact O-CB 3.41Å; Q552-V555 PolarHBondContact O-N 3.42Å
553	E	66.9	Low	69.6	Low	171 Å²	171	44.5 Å²	44.5	80%	0.799	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-54.4	-20.5	173.3	-62.2	167.8	-167.3	0	0	114.3	P551	P551-E553 PolarHBondContact O-N 2.98Å
554	R	68.4	Low	68.6	Low	65 Å²	65	43.6 Å²	43.6	25%	0.245	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-104.7	0.4	179	-53.7	-60	-78.9	173.3	-8.4	113.3	E178 P551 Q552 S557 L558	E178-R554 IonicContact OE1-CZ 3.39Å; E178-R554 IonicContact OE1-NH1 2.71Å; E178-R554 PolarHBondContact OE1-NH1 2.84Å; E178-R554 IonicContact OE1-NH2 2.84Å; E178-R554 PolarHBondContact OE1-NH2 2.98Å; E178-R554 IonicContact OE2-NH1 3.37Å; P551-R554 PolarHBondContact O-N 3.46Å; Q552-R554 PolarHBondContact O-N 2.82Å; R554-S557 WeakPolarHBondContact O-CB 3.44Å; R554-L558 PolarHBondContact O-N 2.68Å
555	V	66.1	Low	67.5	Low	8 Å²	8	46 Å²	46	5%	0.048	23%	0.23	C	C	.	.	H	α-helix	trans	-69.4	-47.9	178.9	168.1	0	0	0	0	111.4	L244 M511 Q552 S557 L558 Y559 W602	L244-V555 HydrophobicContact CD2-CB 4.11Å; L244-V555 HydrophobicContact CD2-CG1 3.32Å; L244-V555 HydrophobicContact CD2-CG2 3.6Å; M511-V555 HydrophobicContact CB-CG2 4.3Å; M511-V555 HydrophobicContact CG-CG2 4.29Å; Q552-V555 VanDerWaalsContact O-CB 3.28Å; Q552-V555 WeakPolarHBondContact O-CB 3.41Å; Q552-V555 PolarHBondContact O-N 3.42Å; V555-S557 PolarHBondContact O-N 2.84Å; V555-L558 WeakPolarHBondContact O-CA 3.47Å; V555-L558 WeakPolarHBondContact O-CB 3.13Å; V555-L558 PolarHBondContact O-N 3.37Å; V555-L558 VanDerWaalsContact O-N 3.07Å; V555-Y559 PolarHBondContact O-N 2.85Å; V555-W602 HydrophobicContact CG1-CZ2 4.04Å
556	D	61.5	Low	65.7	Low	114 Å²	114	44.7 Å²	44.7	61%	0.61	23%	0.226	S	C	*	.	H	α-helix	trans	-67.6	-30.9	179.2	-55.4	-33.4	0	0	0	111.4	S560	D556-S560 VanDerWaalsContact O-CB 3.25Å; D556-S560 WeakPolarHBondContact O-CB 3.41Å; D556-S560 PolarHBondContact O-N 2.7Å; D556-S560 PolarHBondContact O-OG 3.39Å
557	S	61.4	Low	63.8	Low	39 Å²	39	47 Å²	47	27%	0.273	24%	0.244	S	C	.	.	H	α-helix	trans	-63.9	-46.2	169.6	-64.1	0	0	0	0	111.4	I186 R554 V555 S560 F561	I186-S557 VanDerWaalsContact CD1-O 3.31Å; I186-S557 WeakPolarHBondContact CD1-O 3.35Å; R554-S557 WeakPolarHBondContact O-CB 3.44Å; V555-S557 PolarHBondContact O-N 2.84Å; S557-S560 PolarHBondContact O-N 3.05Å; S557-F561 VanDerWaalsContact O-CB 3.29Å; S557-F561 WeakPolarHBondContact O-CB 3.47Å; S557-F561 PolarHBondContact O-N 2.72Å
558	L	67.4	Low	61.7	Low	1 Å²	1	51.8 Å²	51.8	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-49.5	175.8	-88.7	165.6	0	0	0	112.2	I186 M188 V206 L513 V550 R554 V555 F561 F562	I186-L558 HydrophobicContact CD1-CD2 4.15Å; I186-L558 HydrophobicContact CD1-CG 4.24Å; I186-L558 HydrophobicContact CG2-CD2 4.43Å; M188-L558 HydrophobicContact CE-CD1 3.7Å; M188-L558 HydrophobicContact CE-CD2 3.72Å; M188-L558 HydrophobicContact CE-CG 3.88Å; M188-L558 HydrophobicContact SD-CD1 4.12Å; V206-L558 HydrophobicContact CG2-CD2 4.08Å; L513-L558 HydrophobicContact CD2-CD1 4.32Å; V550-L558 HydrophobicContact CG1-CD1 4.14Å; R554-L558 PolarHBondContact O-N 2.68Å; V555-L558 WeakPolarHBondContact O-CA 3.47Å; V555-L558 WeakPolarHBondContact O-CB 3.13Å; V555-L558 PolarHBondContact O-N 3.37Å; V555-L558 VanDerWaalsContact O-N 3.07Å; L558-F561 PolarHBondContact O-N 2.71Å; L558-F562 HydrophobicContact CB-CE2 4.45Å; L558-F562 HydrophobicContact CD2-CE2 3.81Å; L558-F562 HydrophobicContact CD2-CZ 4.26Å; L558-F562 WeakPolarHBondContact O-CD2 3.39Å; L558-F562 PolarHBondContact O-N 2.83Å
559	Y	63	Low	59.6	Low	52 Å²	52	53.4 Å²	53.4	20%	0.204	28%	0.281	C	S	.	.	H	α-helix	trans	-55.6	-53.7	176.6	-172.5	-113	0	0	0	110.7	V555 F561 F562 V563 V581 E583 W602	V555-Y559 PolarHBondContact O-N 2.85Å; Y559-F561 VanDerWaalsContact C-N 3.28Å; Y559-F561 PolarHBondContact O-N 3.37Å; Y559-F562 PolarHBondContact O-N 3.47Å; Y559-V563 WeakPolarHBondContact O-CG2 3.49Å; Y559-V563 PolarHBondContact O-N 3.04Å; Y559-V563 VanDerWaalsContact O-N 3.13Å; Y559-V581 HydrophobicContact CE2-CG1 3.96Å; Y559-V581 WeakPolarHBondContact OH-CG1 3.17Å; Y559-E583 PolarHBondContact OH-OE1 3.21Å; Y559-W602 HydrophobicContact CD2-CD2 4.1Å; Y559-W602 HydrophobicContact CD2-CE3 4.42Å; Y559-W602 HydrophobicContact CD2-CG 4.41Å; Y559-W602 HydrophobicContact CD2-CZ2 4.37Å
560	S	56.8	Low	58.1	Low	51 Å²	51	54.2 Å²	54.2	36%	0.357	28%	0.281	S	S	.	.	H	α-helix	trans	-57.1	-38.7	177.7	-59.2	0	0	0	0	112.8	D556 S557 Q564	D556-S560 VanDerWaalsContact O-CB 3.25Å; D556-S560 WeakPolarHBondContact O-CB 3.41Å; D556-S560 PolarHBondContact O-N 2.7Å; D556-S560 PolarHBondContact O-OG 3.39Å; S557-S560 PolarHBondContact O-N 3.05Å; S560-Q564 WeakPolarHBondContact O-CB 3.1Å; S560-Q564 PolarHBondContact O-N 2.93Å
561	F	64.2	Low	56	Low	13 Å²	13	55.7 Å²	55.7	6%	0.057	30%	0.297	C	S	.	.	H	α-helix	trans	-72.4	-43.4	-178.6	176	-90.4	0	0	0	113.1	V183 I186 V206 P208 S557 L558 Y559 V563 Q564 W565	V183-F561 WeakPolarHBondContact O-CE2 3.48Å; I186-F561 HydrophobicContact CD1-CB 3.35Å; I186-F561 HydrophobicContact CD1-CD1 4.25Å; I186-F561 HydrophobicContact CD1-CD2 4.27Å; I186-F561 HydrophobicContact CD1-CG 3.72Å; I186-F561 HydrophobicContact CG1-CB 3.96Å; I186-F561 HydrophobicContact CG1-CD1 4.35Å; I186-F561 HydrophobicContact CG1-CD2 3.9Å; I186-F561 HydrophobicContact CG1-CG 3.81Å; V206-F561 HydrophobicContact CB-CE1 4.38Å; V206-F561 HydrophobicContact CG1-CD1 4.29Å; V206-F561 HydrophobicContact CG1-CE1 3.87Å; V206-F561 WeakPolarHBondContact O-CZ 3.31Å; P208-F561 HydrophobicContact CG-CZ 4.13Å; S557-F561 VanDerWaalsContact O-CB 3.29Å; S557-F561 WeakPolarHBondContact O-CB 3.47Å; S557-F561 PolarHBondContact O-N 2.72Å; L558-F561 PolarHBondContact O-N 2.71Å; Y559-F561 VanDerWaalsContact C-N 3.28Å; Y559-F561 PolarHBondContact O-N 3.37Å; F561-V563 VanDerWaalsContact C-N 3.3Å; F561-V563 PolarHBondContact O-N 3.02Å; F561-Q564 PolarHBondContact O-N 3.46Å; F561-W565 HydrophobicContact CD2-CB 4.35Å; F561-W565 AromaticContact CD2-CD1 3.43Å; F561-W565 VanDerWaalsContact CD2-CD1 3.43Å; F561-W565 AromaticContact CD2-CG 4Å; F561-W565 HydrophobicContact CD2-CG 4Å; F561-W565 HydrophobicContact CE2-CB 4.08Å; F561-W565 AromaticContact CE2-CD1 3.58Å; F561-W565 HydrophobicContact CE2-CD2 4.46Å; F561-W565 AromaticContact CE2-CG 3.75Å; F561-W565 HydrophobicContact CE2-CG 3.75Å; F561-W565 HydrophobicContact CZ-CB 4.23Å; F561-W565 HydrophobicContact CZ-CG 4.34Å; F561-W565 PolarHBondContact O-N 3.26Å
562	F	64.7	Low	54.4	Low	4 Å²	4	63.5 Å²	63.5	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-61	-41.8	175	-72.9	-59.9	0	0	0	111.2	V206 M236 L558 Y559 S566 Y570 I604	V206-F562 HydrophobicContact CG1-CE1 3.73Å; V206-F562 HydrophobicContact CG1-CZ 3.85Å; M236-F562 HydrophobicContact CE-CD1 3.99Å; M236-F562 HydrophobicContact CE-CE1 3.78Å; M236-F562 HydrophobicContact SD-CE1 4.5Å; L558-F562 HydrophobicContact CB-CE2 4.45Å; L558-F562 HydrophobicContact CD2-CE2 3.81Å; L558-F562 HydrophobicContact CD2-CZ 4.26Å; L558-F562 WeakPolarHBondContact O-CD2 3.39Å; L558-F562 PolarHBondContact O-N 2.83Å; Y559-F562 PolarHBondContact O-N 3.47Å; F562-S566 PolarHBondContact O-OG 2.73Å; F562-Y570 VanDerWaalsContact O-CD2 3.25Å; F562-Y570 WeakPolarHBondContact O-CD2 3.38Å; F562-I604 HydrophobicContact CB-CD1 3.97Å; F562-I604 HydrophobicContact CD2-CD1 3.92Å; F562-I604 HydrophobicContact CG-CD1 4.08Å
563	V	55.4	Low	52.9	Low	63 Å²	63	68.6 Å²	68.6	38%	0.382	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-45	174.9	173	0	0	0	0	112	Y559 F561	Y559-V563 WeakPolarHBondContact O-CG2 3.49Å; Y559-V563 PolarHBondContact O-N 3.04Å; Y559-V563 VanDerWaalsContact O-N 3.13Å; F561-V563 VanDerWaalsContact C-N 3.3Å; F561-V563 PolarHBondContact O-N 3.02Å
564	Q	44	Very low	51.5	Low	85 Å²	85	60.6 Å²	60.6	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-84.5	-36.8	-169.6	-174.2	164.9	16.9	0	0	114.8	S560 F561	S560-Q564 WeakPolarHBondContact O-CB 3.1Å; S560-Q564 PolarHBondContact O-N 2.93Å; F561-Q564 PolarHBondContact O-N 3.46Å
565	W	47.8	Very low	50.1	Low	80 Å²	80	68 Å²	68	30%	0.303	34%	0.341	S	S	.	.	H	α-helix	trans	-91.9	1.5	-172.8	-82.2	87	0	0	0	115	V183 K184 P208 F561	V183-W565 VanDerWaalsContact O-CE2 3.24Å; V183-W565 PolarHBondContact O-NE1 2.91Å; K184-W565 HydrophobicContact CB-CH2 4.37Å; K184-W565 HydrophobicContact CG-CH2 3.46Å; K184-W565 VanDerWaalsContact CG-CH2 3.46Å; K184-W565 HydrophobicContact CG-CZ2 4.09Å; K184-W565 HydrophobicContact CG-CZ3 3.83Å; P208-W565 HydrophobicContact CG-CB 4.02Å; P208-W565 HydrophobicContact CG-CE3 4.23Å; F561-W565 HydrophobicContact CD2-CB 4.35Å; F561-W565 AromaticContact CD2-CD1 3.43Å; F561-W565 VanDerWaalsContact CD2-CD1 3.43Å; F561-W565 AromaticContact CD2-CG 4Å; F561-W565 HydrophobicContact CD2-CG 4Å; F561-W565 HydrophobicContact CE2-CB 4.08Å; F561-W565 AromaticContact CE2-CD1 3.58Å; F561-W565 HydrophobicContact CE2-CD2 4.46Å; F561-W565 AromaticContact CE2-CG 3.75Å; F561-W565 HydrophobicContact CE2-CG 3.75Å; F561-W565 HydrophobicContact CZ-CB 4.23Å; F561-W565 HydrophobicContact CZ-CG 4.34Å; F561-W565 PolarHBondContact O-N 3.26Å
566	S	44	Very low	48.7	Very low	20 Å²	20	76.7 Å²	76.7	14%	0.14	38%	0.381	C	S	.	.			trans	-139.9	59.6	177.7	20.1	0	0	0	0	113	F562 D568 V569 Y570	F562-S566 PolarHBondContact O-OG 2.73Å; S566-D568 VanDerWaalsContact C-N 3.26Å; S566-D568 PolarHBondContact O-N 2.71Å; S566-V569 PolarHBondContact O-N 3.4Å; S566-Y570 WeakPolarHBondContact O-CD2 3.32Å; S566-Y570 PolarHBondContact O-N 3.07Å; S566-Y570 VanDerWaalsContact OG-CD2 3.29Å; S566-Y570 WeakPolarHBondContact OG-CD2 3.45Å; S566-Y570 VanDerWaalsContact OG-CE2 3.29Å; S566-Y570 WeakPolarHBondContact OG-CE2 3.36Å
567	P	40.3	Very low	47.4	Very low	75 Å²	75	77.5 Å²	77.5	49%	0.487	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-33.6	-177.9	-21.9	34.6	0	0	0	113.7	V569 G571	P567-V569 PolarHBondContact O-N 2.9Å; P567-V569 VanDerWaalsContact O-N 3.16Å; P567-G571 VanDerWaalsContact O-CA 3.27Å; P567-G571 WeakPolarHBondContact O-CA 3.21Å; P567-G571 PolarHBondContact O-N 3.03Å
568	D	38.8	Very low	46.5	Very low	112 Å²	112	76.6 Å²	76.6	60%	0.599	38%	0.378	S	S	*	.	H	α-helix	trans	-68.1	-9.2	177.3	-58.2	-15.7	0	0	0	113.1	S566 Q577	S566-D568 VanDerWaalsContact C-N 3.26Å; S566-D568 PolarHBondContact O-N 2.71Å; D568-Q577 WeakPolarHBondContact O-CB 3.37Å; D568-Q577 PolarHBondContact O-NE2 2.67Å
569	V	40.6	Very low	45.1	Very low	34 Å²	34	78.1 Å²	78.1	21%	0.206	38%	0.384	C	S	.	.	H	α-helix	trans	-124.6	-24.6	-174.3	-167.8	0	0	0	0	112.8	S566 P567 A574 F579	S566-V569 PolarHBondContact O-N 3.4Å; P567-V569 PolarHBondContact O-N 2.9Å; P567-V569 VanDerWaalsContact O-N 3.16Å; V569-A574 VanDerWaalsContact O-CB 3.29Å; V569-A574 WeakPolarHBondContact O-CB 3.28Å; V569-F579 HydrophobicContact CG1-CB 4.36Å; V569-F579 HydrophobicContact CG1-CD2 3.35Å; V569-F579 HydrophobicContact CG1-CE2 3.98Å; V569-F579 HydrophobicContact CG1-CG 4.15Å
570	Y	48.2	Very low	44.1	Very low	29 Å²	29	77.2 Å²	77.2	11%	0.114	39%	0.385	C	S	.	.	H	α-helix	trans	-132.8	3.5	179.7	-50.4	-82.8	0	0	0	114.9	M236 F562 S566 F579 V581 I604	M236-Y570 WeakPolarHBondContact CE-OH 3.3Å; F562-Y570 VanDerWaalsContact O-CD2 3.25Å; F562-Y570 WeakPolarHBondContact O-CD2 3.38Å; S566-Y570 WeakPolarHBondContact O-CD2 3.32Å; S566-Y570 PolarHBondContact O-N 3.07Å; S566-Y570 VanDerWaalsContact OG-CD2 3.29Å; S566-Y570 WeakPolarHBondContact OG-CD2 3.45Å; S566-Y570 VanDerWaalsContact OG-CE2 3.29Å; S566-Y570 WeakPolarHBondContact OG-CE2 3.36Å; Y570-F579 HydrophobicContact CD1-CB 3.8Å; Y570-F579 HydrophobicContact CE1-CB 3.34Å; Y570-F579 AromaticContact CE1-CD1 3.92Å; Y570-F579 HydrophobicContact CE1-CD1 3.92Å; Y570-F579 HydrophobicContact CE1-CD2 4.3Å; Y570-F579 AromaticContact CE1-CG 3.61Å; Y570-F579 HydrophobicContact CE1-CG 3.61Å; Y570-F579 AromaticContact CZ-CG 3.95Å; Y570-V581 HydrophobicContact CD1-CG2 4.48Å; Y570-I604 HydrophobicContact CD1-CG2 4.28Å; Y570-I604 HydrophobicContact CE1-CG2 3.65Å
571	G	36.9	Very low	43.4	Very low	33 Å²	33	76.6 Å²	76.6	34%	0.34	38%	0.378	S	S	.	.	S	Bend	trans	-85.4	175	171.9	0	0	0	0	0	113.2	P567 E573 A574	P567-G571 VanDerWaalsContact O-CA 3.27Å; P567-G571 WeakPolarHBondContact O-CA 3.21Å; P567-G571 PolarHBondContact O-N 3.03Å; G571-E573 PolarHBondContact O-N 2.93Å; G571-E573 VanDerWaalsContact O-N 3.09Å; G571-A574 WeakPolarHBondContact O-CB 3.39Å; G571-A574 PolarHBondContact O-N 3.29Å
572	K	39.9	Very low	42.5	Very low	214 Å²	214	77.7 Å²	77.7	93%	0.93	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.5	-179.3	-81.9	-171.1	173	-177.8	0	115
573	E	34.2	Very low	41.4	Very low	177 Å²	177	82.9 Å²	82.9	83%	0.827	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-8.7	174.7	-62	-176.9	154.7	0	0	112.6	G571 R575	G571-E573 PolarHBondContact O-N 2.93Å; G571-E573 VanDerWaalsContact O-N 3.09Å; E573-R575 PolarHBondContact O-N 2.56Å; E573-R575 VanDerWaalsContact O-N 3.13Å
574	A	37.3	Very low	40.7	Very low	4 Å²	4	85.8 Å²	85.8	3%	0.033	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-75.9	3.5	-175.2	0	0	0	0	0	115.9	V569 G571 E576 Q577	V569-A574 VanDerWaalsContact O-CB 3.29Å; V569-A574 WeakPolarHBondContact O-CB 3.28Å; G571-A574 WeakPolarHBondContact O-CB 3.39Å; G571-A574 PolarHBondContact O-N 3.29Å; A574-E576 PolarHBondContact O-N 2.99Å; A574-Q577 PolarHBondContact O-N 3.14Å
575	R	38.8	Very low	40.7	Very low	221 Å²	221	88.6 Å²	88.6	83%	0.834	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-55.3	-20.5	170.5	-83.6	-174.3	169.3	-172.2	-4.4	112.7	E573	E573-R575 PolarHBondContact O-N 2.56Å; E573-R575 VanDerWaalsContact O-N 3.13Å
576	E	37	Very low	40.5	Very low	190 Å²	190	91.5 Å²	91.5	89%	0.888	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-87.2	-14.5	175.5	-61.7	-165.3	167.8	0	0	115.3	A574	A574-E576 PolarHBondContact O-N 2.99Å
577	Q	34.1	Very low	40.6	Very low	131 Å²	131	93.9 Å²	93.9	61%	0.612	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.9	-5.8	-164.1	-103.4	-166.7	112.9	0	0	119	D568 A574	D568-Q577 WeakPolarHBondContact O-CB 3.37Å; D568-Q577 PolarHBondContact O-NE2 2.67Å; A574-Q577 PolarHBondContact O-N 3.14Å
578	G	42.4	Very low	40.4	Very low	20 Å²	20	97.5 Å²	97.5	21%	0.206	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	128.7	18.7	146.5	0	0	0	0	0	120.2	T606 I607	G578-T606 CarbonylContact O-C 3.38Å; G578-T606 VanDerWaalsContact O-CA 3.27Å; G578-T606 WeakPolarHBondContact O-CA 3.25Å; G578-I607 VanDerWaalsContact C-N 3.32Å; G578-I607 PolarHBondContact O-N 2.64Å
579	F	37.8	Very low	40.5	Very low	32 Å²	32	99.3 Å²	99.3	14%	0.14	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	158.3	174.8	-69.3	-101.3	0	0	0	113.4	V569 Y570 I604 I605 T606	V569-F579 HydrophobicContact CG1-CB 4.36Å; V569-F579 HydrophobicContact CG1-CD2 3.35Å; V569-F579 HydrophobicContact CG1-CE2 3.98Å; V569-F579 HydrophobicContact CG1-CG 4.15Å; Y570-F579 HydrophobicContact CD1-CB 3.8Å; Y570-F579 HydrophobicContact CE1-CB 3.34Å; Y570-F579 AromaticContact CE1-CD1 3.92Å; Y570-F579 HydrophobicContact CE1-CD1 3.92Å; Y570-F579 HydrophobicContact CE1-CD2 4.3Å; Y570-F579 AromaticContact CE1-CG 3.61Å; Y570-F579 HydrophobicContact CE1-CG 3.61Å; Y570-F579 AromaticContact CZ-CG 3.95Å; F579-I604 HydrophobicContact CD1-CG2 4.36Å; F579-I605 CarbonylContact C-O 3.58Å; F579-I605 VanDerWaalsContact CA-O 3.31Å; F579-I605 WeakPolarHBondContact CA-O 3.4Å; F579-I605 WeakPolarHBondContact CD1-O 3.45Å; F579-T606 HydrophobicContact CD1-CG2 3.99Å; F579-T606 HydrophobicContact CE1-CG2 3.4Å; F579-T606 VanDerWaalsContact CE1-CG2 3.4Å; F579-T606 HydrophobicContact CE2-CG2 4.18Å; F579-T606 HydrophobicContact CZ-CG2 3.51Å
580	V	42.2	Very low	40.5	Very low	34 Å²	34	101 Å²	101	21%	0.206	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.8	174.3	-177.5	0	0	0	0	109.2	V582 I605 I607 A610	V580-V582 HydrophobicContact CG1-CG2 4.31Å; V580-I605 HydrophobicContact CB-CG1 4.44Å; V580-I605 PolarHBondContact N-O 3.1Å; V580-I605 PolarHBondContact O-N 2.85Å; V580-I607 HydrophobicContact CG2-CD1 4.47Å; V580-I607 HydrophobicContact CG2-CG1 3.59Å; V580-A610 HydrophobicContact CB-CB 3.65Å; V580-A610 HydrophobicContact CG1-CB 4.42Å; V580-A610 HydrophobicContact CG2-CB 3.39Å
581	V	43.8	Very low	39.7	Very low	37 Å²	37	103.9 Å²	103.9	22%	0.224	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	131.8	166.9	-179.9	0	0	0	0	107.5	Y559 Y570 E583	Y559-V581 HydrophobicContact CE2-CG1 3.96Å; Y559-V581 WeakPolarHBondContact OH-CG1 3.17Å; Y570-V581 HydrophobicContact CD1-CG2 4.48Å; V581-E583 HydrophobicContact CG1-CG 4.35Å
582	V	45.3	Very low	39.6	Very low	36 Å²	36	110 Å²	110	22%	0.218	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	108	176.1	-173.3	0	0	0	0	108.1	V580 L587 I605	V580-V582 HydrophobicContact CG1-CG2 4.31Å; V582-L587 HydrophobicContact CG1-CD1 3.73Å; V582-I605 HydrophobicContact CG2-CD1 3.88Å; V582-I605 HydrophobicContact CG2-CG1 4.25Å
583	E	41.2	Very low	39.3	Very low	113 Å²	113	106.5 Å²	106.5	53%	0.528	52%	0.52	S	S	.	.			trans	-82.3	150.6	175.3	-65.1	-168.9	152.2	0	0	110.3	Y559 V581 D585 E586	Y559-E583 PolarHBondContact OH-OE1 3.21Å; V581-E583 HydrophobicContact CG1-CG 4.35Å; E583-D585 PolarHBondContact O-N 2.56Å; E583-D585 VanDerWaalsContact O-N 3.16Å; E583-E586 PolarHBondContact O-N 3.25Å; E583-E586 VanDerWaalsContact O-N 3.1Å
584	K	40.9	Very low	39.2	Very low	124 Å²	124	105.8 Å²	105.8	54%	0.539	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-55.4	-37.7	-171	-176.1	172.5	178.7	171.5	0	113.4	E586 L587	K584-E586 VanDerWaalsContact C-N 3.27Å; K584-E586 PolarHBondContact O-N 3.4Å; K584-L587 VanDerWaalsContact O-CB 3.26Å; K584-L587 WeakPolarHBondContact O-CB 3.49Å; K584-L587 PolarHBondContact O-N 2.9Å; K584-L587 VanDerWaalsContact O-N 3.07Å
585	D	42.7	Very low	39	Very low	145 Å²	145	110 Å²	110	78%	0.775	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-75.7	-13.5	-174.3	-57.3	-5.1	0	0	0	112.8	E583 L587	E583-D585 PolarHBondContact O-N 2.56Å; E583-D585 VanDerWaalsContact O-N 3.16Å; D585-L587 VanDerWaalsContact C-N 3.32Å
586	E	44.4	Very low	38.8	Very low	140 Å²	140	105.8 Å²	105.8	65%	0.654	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-84.6	-6.3	169.5	-63.6	-164.9	153.5	0	0	112.6	E583 K584	E583-E586 PolarHBondContact O-N 3.25Å; E583-E586 VanDerWaalsContact O-N 3.1Å; K584-E586 VanDerWaalsContact C-N 3.27Å; K584-E586 PolarHBondContact O-N 3.4Å
587	L	46	Very low	39.1	Very low	70 Å²	70	100.3 Å²	100.3	37%	0.366	52%	0.518	S	S	.	.			trans	-94	-13.9	-173.3	-144.3	77.2	0	0	0	114.5	V582 K584 D585 M589 I590	V582-L587 HydrophobicContact CG1-CD1 3.73Å; K584-L587 VanDerWaalsContact O-CB 3.26Å; K584-L587 WeakPolarHBondContact O-CB 3.49Å; K584-L587 PolarHBondContact O-N 2.9Å; K584-L587 VanDerWaalsContact O-N 3.07Å; D585-L587 VanDerWaalsContact C-N 3.32Å; L587-M589 PolarHBondContact O-N 2.85Å; L587-I590 CarbonylContact O-C 3.53Å; L587-I590 PolarHBondContact O-N 3.18Å
588	D	36.9	Very low	39.3	Very low	151 Å²	151	98.2 Å²	98.2	81%	0.807	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.2	-173.7	-90.7	-3.8	0	0	0	114.9
589	M	39.1	Very low	39.4	Very low	151 Å²	151	98.2 Å²	98.2	74%	0.744	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-0.6	171.8	-69.8	-175.8	-81.3	0	0	113.8	L587	L587-M589 PolarHBondContact O-N 2.85Å
590	I	40.6	Very low	39.8	Very low	70 Å²	70	98.4 Å²	98.4	36%	0.359	53%	0.526	S	S	.	.	S	Bend	trans	-150.9	62.3	-164.1	-36.4	163.5	0	0	0	114.7	L587 S617	L587-I590 CarbonylContact O-C 3.53Å; L587-I590 PolarHBondContact O-N 3.18Å; I590-S617 WeakPolarHBondContact CD1-OG 3.36Å; I590-S617 WeakPolarHBondContact CG2-OG 3.41Å
591	D	31.9	Very low	40.1	Very low	89 Å²	89	99 Å²	99	48%	0.476	53%	0.531	S	S	.	.				-168	134.9	116.7	-158.5	-31.5	0	0	0	108.4	F593 F594	D591-F593 PolarHBondContact OD1-N 2.85Å; D591-F594 PolarHBondContact OD1-N 3.47Å
592	N	34.4	Very low	40.6	Very low	162 Å²	162	98.6 Å²	98.6	87%	0.866	53%	0.526	S	S	*	.			trans	-151.7	42.4	169.9	-157.2	2.2	0	0	0	110.2
593	F	35.2	Very low	41	Very low	140 Å²	140	98.2 Å²	98.2	61%	0.614	52%	0.522	S	S	*	.	S	Bend	trans	-137.9	-25.1	177.9	-143.4	-105.8	0	0	0	116.5	D591	D591-F593 PolarHBondContact OD1-N 2.85Å
594	F	31.4	Very low	41.8	Very low	162 Å²	162	93 Å²	93	71%	0.711	50%	0.497	S	S	*	.	S	Bend	trans	-145.9	105.9	169.2	-78	-68.3	0	0	0	115.2	D591	D591-F594 PolarHBondContact OD1-N 3.47Å
595	S	32.3	Very low	42.3	Very low	93 Å²	93	87.3 Å²	87.3	65%	0.65	47%	0.472	S	S	*	.	S	Bend	trans	88.9	139.1	177.9	-33.8	0	0	0	0	114.9
596	D	35.7	Very low	42.6	Very low	131 Å²	131	81.4 Å²	81.4	70%	0.701	44%	0.442	S	S	*	.			trans	-61.2	129.2	175	-74.3	-73.8	0	0	0	111.9	R250 A598	R250-D596 PolarHBondContact NH2-O 3.07Å; D596-A598 VanDerWaalsContact C-N 3.31Å; D596-A598 PolarHBondContact O-N 3.16Å
597	P	42.2	Very low	42.7	Very low	75 Å²	75	75.5 Å²	75.5	49%	0.487	42%	0.415	S	S	.	.	S	Bend	trans	-82.9	-3.1	-177.3	32.8	-36	0	0	0	113.8	S599	P597-S599 PolarHBondContact O-N 3.36Å
598	A	38.3	Very low	42.6	Very low	87 Å²	87	77.6 Å²	77.6	72%	0.719	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-3.6	-169.5	0	0	0	0	0	116.5	D596	D596-A598 VanDerWaalsContact C-N 3.31Å; D596-A598 PolarHBondContact O-N 3.16Å
599	S	44.6	Very low	43.2	Very low	20 Å²	20	72 Å²	72	14%	0.14	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-8.4	-154	126.4	0	0	0	0	114.9	D246 R250 P597	D246-S599 VanDerWaalsContact CG-CB 3.44Å; D246-S599 PolarHBondContact N-O 2.63Å; D246-S599 WeakPolarHBondContact OD1-CB 3.22Å; D246-S599 PolarHBondContact OD1-OG 2.93Å; D246-S599 VanDerWaalsContact OD2-CA 3.28Å; D246-S599 WeakPolarHBondContact OD2-CA 3.4Å; D246-S599 WeakPolarHBondContact OD2-CB 3.31Å; R250-S599 PolarHBondContact NE-OG 2.84Å; R250-S599 PolarHBondContact NH2-OG 3.13Å; P597-S599 PolarHBondContact O-N 3.36Å
600	C	46.7	Very low	43.7	Very low	37 Å²	37	64.9 Å²	64.9	25%	0.25	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.8	175.1	-166.7	0	0	0	0	110.3	L244 Y245	L244-C600 PolarHBondContact O-SG 2.88Å; Y245-C600 HydrophobicContact CD1-CB 4.47Å
601	S	47.8	Very low	43.9	Very low	47 Å²	47	67.3 Å²	67.3	33%	0.329	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-39	175.9	61.6	0	0	0	0	112.6	L244	L244-S601 PolarHBondContact O-N 2.87Å
602	W	55.3	Low	44.7	Very low	27 Å²	27	69.2 Å²	69.2	10%	0.102	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.6	154.3	173.9	49.3	-97.6	0	0	0	110.8	L244 V555 Y559 I604	L244-W602 HydrophobicContact CB-CD2 4.5Å; L244-W602 HydrophobicContact CD2-CZ2 4.07Å; L244-W602 PolarHBondContact N-O 2.8Å; V555-W602 HydrophobicContact CG1-CZ2 4.04Å; Y559-W602 HydrophobicContact CD2-CD2 4.1Å; Y559-W602 HydrophobicContact CD2-CE3 4.42Å; Y559-W602 HydrophobicContact CD2-CG 4.41Å; Y559-W602 HydrophobicContact CD2-CZ2 4.37Å; W602-I604 HydrophobicContact CE3-CD1 4.26Å; W602-I604 HydrophobicContact CE3-CG1 4.02Å; W602-I604 HydrophobicContact CH2-CD1 4.49Å; W602-I604 HydrophobicContact CZ3-CD1 3.71Å; W602-I604 HydrophobicContact CZ3-CG1 3.9Å
603	E	52.8	Low	45.6	Very low	29 Å²	29	66.3 Å²	66.3	14%	0.136	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.4	170.7	-170.6	-177.8	173.9	0	0	110.1	S241 A243 I605 R613	S241-E603 PolarHBondContact OG-OE1 2.93Å; A243-E603 HydrophobicContact CB-CB 4.43Å; A243-E603 HydrophobicContact CB-CG 3.78Å; E603-I605 HydrophobicContact CG-CG2 3.75Å; E603-I605 WeakPolarHBondContact OE1-CG2 3.29Å; E603-R613 IonicContact OE1-CZ 2.77Å; E603-R613 IonicContact OE1-NH1 2.68Å; E603-R613 IonicContact OE1-NH2 3.57Å; E603-R613 PolarHBondContact OE1-NH2 2.92Å; E603-R613 IonicContact OE2-CZ 3.6Å; E603-R613 IonicContact OE2-NH1 3.14Å; E603-R613 PolarHBondContact OE2-NH1 3Å; E603-R613 IonicContact OE2-NH2 2.66Å; E603-R613 PolarHBondContact OE2-NH2 2.71Å
604	I	57.8	Low	45.8	Very low	4 Å²	4	63.2 Å²	63.2	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.7	170.6	-61	174.1	0	0	0	108	S241 V242 F562 Y570 F579 W602	S241-I604 CarbonylContact C-O 3.6Å; S241-I604 VanDerWaalsContact CA-O 3.29Å; S241-I604 WeakPolarHBondContact CA-O 3.38Å; S241-I604 WeakPolarHBondContact CB-O 3.48Å; V242-I604 HydrophobicContact CB-CB 4.44Å; V242-I604 PolarHBondContact N-O 2.87Å; V242-I604 PolarHBondContact O-N 2.6Å; F562-I604 HydrophobicContact CB-CD1 3.97Å; F562-I604 HydrophobicContact CD2-CD1 3.92Å; F562-I604 HydrophobicContact CG-CD1 4.08Å; Y570-I604 HydrophobicContact CD1-CG2 4.28Å; Y570-I604 HydrophobicContact CE1-CG2 3.65Å; F579-I604 HydrophobicContact CD1-CG2 4.36Å; W602-I604 HydrophobicContact CE3-CD1 4.26Å; W602-I604 HydrophobicContact CE3-CG1 4.02Å; W602-I604 HydrophobicContact CH2-CD1 4.49Å; W602-I604 HydrophobicContact CZ3-CD1 3.71Å; W602-I604 HydrophobicContact CZ3-CG1 3.9Å
605	I	52.5	Low	46.2	Very low	3 Å²	3	59 Å²	59	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	146.9	-174.3	54	177.3	0	0	0	111.5	F579 V580 V582 E603 E609 A610	F579-I605 CarbonylContact C-O 3.58Å; F579-I605 VanDerWaalsContact CA-O 3.31Å; F579-I605 WeakPolarHBondContact CA-O 3.4Å; F579-I605 WeakPolarHBondContact CD1-O 3.45Å; V580-I605 HydrophobicContact CB-CG1 4.44Å; V580-I605 PolarHBondContact N-O 3.1Å; V580-I605 PolarHBondContact O-N 2.85Å; V582-I605 HydrophobicContact CG2-CD1 3.88Å; V582-I605 HydrophobicContact CG2-CG1 4.25Å; E603-I605 HydrophobicContact CG-CG2 3.75Å; E603-I605 WeakPolarHBondContact OE1-CG2 3.29Å; I605-E609 HydrophobicContact CB-CB 4.09Å; I605-E609 HydrophobicContact CB-CG 3.85Å; I605-E609 HydrophobicContact CD1-CG 4.5Å; I605-E609 HydrophobicContact CG2-CG 3.9Å; I605-A610 HydrophobicContact CD1-CB 3.64Å; I605-A610 HydrophobicContact CG1-CB 3.93Å
606	T	49.7	Very low	46.6	Very low	22 Å²	22	60 Å²	60	14%	0.135	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	152.7	167.1	39.6	0	0	0	0	111.1	V240 G578 F579 D608 E609 A610	V240-T606 WeakPolarHBondContact O-CG2 3.4Å; V240-T606 PolarHBondContact O-N 2.88Å; V240-T606 PolarHBondContact O-OG1 3.35Å; G578-T606 CarbonylContact O-C 3.38Å; G578-T606 VanDerWaalsContact O-CA 3.27Å; G578-T606 WeakPolarHBondContact O-CA 3.25Å; F579-T606 HydrophobicContact CD1-CG2 3.99Å; F579-T606 HydrophobicContact CE1-CG2 3.4Å; F579-T606 VanDerWaalsContact CE1-CG2 3.4Å; F579-T606 HydrophobicContact CE2-CG2 4.18Å; F579-T606 HydrophobicContact CZ-CG2 3.51Å; T606-D608 PolarHBondContact O-N 2.93Å; T606-E609 CarbonylContact O-C 3.5Å; T606-E609 WeakPolarHBondContact O-CA 3.41Å; T606-E609 WeakPolarHBondContact O-CB 3.02Å; T606-E609 PolarHBondContact O-N 2.8Å; T606-E609 VanDerWaalsContact OG1-CB 3.29Å; T606-E609 WeakPolarHBondContact OG1-CB 3.27Å; T606-E609 PolarHBondContact OG1-N 3.29Å; T606-A610 WeakPolarHBondContact O-CB 3.42Å; T606-A610 PolarHBondContact O-N 3.2Å
607	I	46	Very low	46.6	Very low	15 Å²	15	55.1 Å²	55.1	8%	0.077	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-26	173.4	-90.9	171.8	0	0	0	111.3	G578 V580 K611	G578-I607 VanDerWaalsContact C-N 3.32Å; G578-I607 PolarHBondContact O-N 2.64Å; V580-I607 HydrophobicContact CG2-CD1 4.47Å; V580-I607 HydrophobicContact CG2-CG1 3.59Å; I607-K611 HydrophobicContact CG2-CD 3.61Å; I607-K611 HydrophobicContact CG2-CG 4.07Å; I607-K611 VanDerWaalsContact CG2-NZ 3.35Å; I607-K611 WeakPolarHBondContact O-CA 3.14Å; I607-K611 WeakPolarHBondContact O-CB 3.36Å; I607-K611 WeakPolarHBondContact O-CG 3.04Å; I607-K611 PolarHBondContact O-N 2.92Å
608	D	44.6	Very low	46	Very low	114 Å²	114	55 Å²	55	61%	0.61	29%	0.294	S	S	*	.	H	α-helix	trans	-81	-18.6	175.2	-67.4	-17.8	0	0	0	112.5	T606 R612	T606-D608 PolarHBondContact O-N 2.93Å; D608-R612 WeakPolarHBondContact O-CG 3.39Å; D608-R612 PolarHBondContact O-NE 3.37Å; D608-R612 PolarHBondContact O-NH2 3.03Å
609	E	49.1	Very low	45.9	Very low	34 Å²	34	54.6 Å²	54.6	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-81.5	-46.1	164.2	-178.4	66.2	-133.4	0	0	110.4	I605 T606 R612 R613	I605-E609 HydrophobicContact CB-CB 4.09Å; I605-E609 HydrophobicContact CB-CG 3.85Å; I605-E609 HydrophobicContact CD1-CG 4.5Å; I605-E609 HydrophobicContact CG2-CG 3.9Å; T606-E609 CarbonylContact O-C 3.5Å; T606-E609 WeakPolarHBondContact O-CA 3.41Å; T606-E609 WeakPolarHBondContact O-CB 3.02Å; T606-E609 PolarHBondContact O-N 2.8Å; T606-E609 VanDerWaalsContact OG1-CB 3.29Å; T606-E609 WeakPolarHBondContact OG1-CB 3.27Å; T606-E609 PolarHBondContact OG1-N 3.29Å; E609-R612 VanDerWaalsContact CA-NH2 3.34Å; E609-R612 CarbonylContact O-C 3.56Å; E609-R612 WeakPolarHBondContact O-CA 3.49Å; E609-R612 WeakPolarHBondContact O-CB 3.35Å; E609-R612 PolarHBondContact O-N 2.92Å; E609-R612 VanDerWaalsContact O-N 3.08Å; E609-R612 IonicContact OE1-NH1 3.41Å; E609-R612 PolarHBondContact OE1-NH1 3.23Å; E609-R612 IonicContact OE2-CZ 3.22Å; E609-R612 IonicContact OE2-NH1 2.77Å; E609-R612 PolarHBondContact OE2-NH1 2.97Å; E609-R612 IonicContact OE2-NH2 2.79Å; E609-R612 PolarHBondContact OE2-NH2 3.13Å; E609-R613 WeakPolarHBondContact O-CG 3.26Å; E609-R613 PolarHBondContact O-N 2.83Å; E609-R613 IonicContact OE1-CZ 2.7Å; E609-R613 IonicContact OE1-NE 2.75Å; E609-R613 PolarHBondContact OE1-NE 2.79Å; E609-R613 IonicContact OE1-NH2 3.81Å; E609-R613 PolarHBondContact OE1-NH2 2.84Å
610	A	49.4	Very low	45.3	Very low	1 Å²	1	60.5 Å²	60.5	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-46.7	177.5	0	0	0	0	0	111.9	V580 I605 T606 R612 R613 Q614	V580-A610 HydrophobicContact CB-CB 3.65Å; V580-A610 HydrophobicContact CG1-CB 4.42Å; V580-A610 HydrophobicContact CG2-CB 3.39Å; I605-A610 HydrophobicContact CD1-CB 3.64Å; I605-A610 HydrophobicContact CG1-CB 3.93Å; T606-A610 WeakPolarHBondContact O-CB 3.42Å; T606-A610 PolarHBondContact O-N 3.2Å; A610-R612 VanDerWaalsContact C-N 3.26Å; A610-R612 PolarHBondContact O-N 3.25Å; A610-R613 CarbonylContact O-C 3.49Å; A610-R613 PolarHBondContact O-N 2.78Å; A610-R613 VanDerWaalsContact O-N 3.16Å; A610-Q614 WeakPolarHBondContact O-CA 3.45Å; A610-Q614 WeakPolarHBondContact O-CB 3.49Å; A610-Q614 VanDerWaalsContact O-CG 3.25Å; A610-Q614 WeakPolarHBondContact O-CG 3.45Å; A610-Q614 PolarHBondContact O-N 2.87Å
611	K	44.4	Very low	45.1	Very low	122 Å²	122	68.1 Å²	68.1	53%	0.53	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-31.3	172.9	-76.5	169.9	178.3	162.8	0	112	I607 S615	I607-K611 HydrophobicContact CG2-CD 3.61Å; I607-K611 HydrophobicContact CG2-CG 4.07Å; I607-K611 VanDerWaalsContact CG2-NZ 3.35Å; I607-K611 WeakPolarHBondContact O-CA 3.14Å; I607-K611 WeakPolarHBondContact O-CB 3.36Å; I607-K611 WeakPolarHBondContact O-CG 3.04Å; I607-K611 PolarHBondContact O-N 2.92Å; K611-S615 WeakPolarHBondContact O-CA 3.45Å; K611-S615 WeakPolarHBondContact O-CB 3.39Å; K611-S615 PolarHBondContact O-N 2.78Å; K611-S615 PolarHBondContact O-OG 2.85Å
612	R	49.8	Very low	44.3	Very low	129 Å²	129	71.7 Å²	71.7	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-69.9	-42	171.9	-85.5	-176.9	-70.1	107.3	-5.1	111.9	D608 E609 A610 S615	D608-R612 WeakPolarHBondContact O-CG 3.39Å; D608-R612 PolarHBondContact O-NE 3.37Å; D608-R612 PolarHBondContact O-NH2 3.03Å; E609-R612 VanDerWaalsContact CA-NH2 3.34Å; E609-R612 CarbonylContact O-C 3.56Å; E609-R612 WeakPolarHBondContact O-CA 3.49Å; E609-R612 WeakPolarHBondContact O-CB 3.35Å; E609-R612 PolarHBondContact O-N 2.92Å; E609-R612 VanDerWaalsContact O-N 3.08Å; E609-R612 IonicContact OE1-NH1 3.41Å; E609-R612 PolarHBondContact OE1-NH1 3.23Å; E609-R612 IonicContact OE2-CZ 3.22Å; E609-R612 IonicContact OE2-NH1 2.77Å; E609-R612 PolarHBondContact OE2-NH1 2.97Å; E609-R612 IonicContact OE2-NH2 2.79Å; E609-R612 PolarHBondContact OE2-NH2 3.13Å; A610-R612 VanDerWaalsContact C-N 3.26Å; A610-R612 PolarHBondContact O-N 3.25Å; R612-S615 PolarHBondContact O-N 2.85Å; R612-S615 PolarHBondContact O-OG 2.96Å
613	R	53.1	Low	43.3	Very low	100 Å²	100	75.6 Å²	75.6	38%	0.377	39%	0.385	S	S	.	.	H	α-helix	trans	-68.9	-49	176.1	-63	-176.7	-167.6	-173	10.3	111.2	E603 E609 A610 S615 F616 S617	E603-R613 IonicContact OE1-CZ 2.77Å; E603-R613 IonicContact OE1-NH1 2.68Å; E603-R613 IonicContact OE1-NH2 3.57Å; E603-R613 PolarHBondContact OE1-NH2 2.92Å; E603-R613 IonicContact OE2-CZ 3.6Å; E603-R613 IonicContact OE2-NH1 3.14Å; E603-R613 PolarHBondContact OE2-NH1 3Å; E603-R613 IonicContact OE2-NH2 2.66Å; E603-R613 PolarHBondContact OE2-NH2 2.71Å; E609-R613 WeakPolarHBondContact O-CG 3.26Å; E609-R613 PolarHBondContact O-N 2.83Å; E609-R613 IonicContact OE1-CZ 2.7Å; E609-R613 IonicContact OE1-NE 2.75Å; E609-R613 PolarHBondContact OE1-NE 2.79Å; E609-R613 IonicContact OE1-NH2 3.81Å; E609-R613 PolarHBondContact OE1-NH2 2.84Å; A610-R613 CarbonylContact O-C 3.49Å; A610-R613 PolarHBondContact O-N 2.78Å; A610-R613 VanDerWaalsContact O-N 3.16Å; R613-S615 VanDerWaalsContact C-N 3.28Å; R613-S615 PolarHBondContact O-N 3.47Å; R613-F616 PolarHBondContact O-N 3.28Å; R613-S617 PolarHBondContact O-OG 3.03Å
614	Q	38.6	Very low	42.4	Very low	76 Å²	76	80.9 Å²	80.9	36%	0.355	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-26.1	171.9	-71.6	170.5	-14.1	0	0	113.6	A610 F616 S617 S618	A610-Q614 WeakPolarHBondContact O-CA 3.45Å; A610-Q614 WeakPolarHBondContact O-CB 3.49Å; A610-Q614 VanDerWaalsContact O-CG 3.25Å; A610-Q614 WeakPolarHBondContact O-CG 3.45Å; A610-Q614 PolarHBondContact O-N 2.87Å; Q614-F616 PolarHBondContact O-N 3.35Å; Q614-F616 VanDerWaalsContact O-N 3.13Å; Q614-S617 CarbonylContact O-C 3.56Å; Q614-S617 PolarHBondContact O-N 2.84Å; Q614-S618 PolarHBondContact O-N 3.06Å
615	S	39.6	Very low	41.6	Very low	73 Å²	73	87.6 Å²	87.6	51%	0.51	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-7.7	171.1	69.8	0	0	0	0	113.9	K611 R612 R613	K611-S615 WeakPolarHBondContact O-CA 3.45Å; K611-S615 WeakPolarHBondContact O-CB 3.39Å; K611-S615 PolarHBondContact O-N 2.78Å; K611-S615 PolarHBondContact O-OG 2.85Å; R612-S615 PolarHBondContact O-N 2.85Å; R612-S615 PolarHBondContact O-OG 2.96Å; R613-S615 VanDerWaalsContact C-N 3.28Å; R613-S615 PolarHBondContact O-N 3.47Å
616	F	39.9	Very low	41	Very low	114 Å²	114	94.8 Å²	94.8	50%	0.5	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.3	164.5	-89.3	-89.3	0	0	0	113.9	R613 Q614 R649	R613-F616 PolarHBondContact O-N 3.28Å; Q614-F616 PolarHBondContact O-N 3.35Å; Q614-F616 VanDerWaalsContact O-N 3.13Å; F616-R649 PolarHBondContact O-NH1 3.45Å
617	S	36.1	Very low	40.8	Very low	28 Å²	28	98.2 Å²	98.2	20%	0.196	53%	0.529	C	S	.	.	S	Bend	trans	-175.7	68.3	-168.6	56.3	0	0	0	0	115.5	I590 R613 Q614	I590-S617 WeakPolarHBondContact CD1-OG 3.36Å; I590-S617 WeakPolarHBondContact CG2-OG 3.41Å; R613-S617 PolarHBondContact O-OG 3.03Å; Q614-S617 CarbonylContact O-C 3.56Å; Q614-S617 PolarHBondContact O-N 2.84Å
618	S	29.5	Very low	40.6	Very low	74 Å²	74	102.3 Å²	102.3	52%	0.517	55%	0.551	S	S	.	*			trans	-159.4	75.9	152	67.6	0	0	0	0	111.1	Q614 D620	Q614-S618 PolarHBondContact O-N 3.06Å; S618-D620 VanDerWaalsContact C-N 3.3Å; S618-D620 PolarHBondContact O-N 3.39Å; S618-D620 VanDerWaalsContact O-N 3.12Å
619	C	36.6	Very low	40.9	Very low	77 Å²	77	98.6 Å²	98.6	52%	0.52	53%	0.533	S	S	.	.			trans	-80.9	77.8	168.2	56.4	0	0	0	0	110	K645	C619-K645 VanDerWaalsContact SG-CE 3.59Å
620	D	31.8	Very low	40.9	Very low	145 Å²	145	103.7 Å²	103.7	78%	0.775	56%	0.559	S	S	*	*			trans	-151.2	156	160.4	-133.4	-32.1	0	0	0	114.3	S618	S618-D620 VanDerWaalsContact C-N 3.3Å; S618-D620 PolarHBondContact O-N 3.39Å; S618-D620 VanDerWaalsContact O-N 3.12Å
621	R	43.3	Very low	41.4	Very low	196 Å²	196	106.1 Å²	106.1	74%	0.74	57%	0.571	S	S	*	*			trans	-38.5	145.1	-178.5	-73.6	161.6	151.4	-77.3	5.6	116.3
622	D	30.4	Very low	42.3	Very low	123 Å²	123	104.6 Å²	104.6	66%	0.658	57%	0.568	S	S	*	*			cis	-145.6	157.1	16.7	-84	-47.5	0	0	0	111.6
623	S	35.2	Very low	42.8	Very low	109 Å²	109	101.1 Å²	101.1	76%	0.762	56%	0.559	S	S	*	*			trans	45.6	112.4	160.6	59.3	0	0	0	0	117.9
624	T	33.3	Very low	43.6	Very low	139 Å²	139	103 Å²	103	85%	0.853	58%	0.576	S	S	*	*				-150.6	160.9	58.4	35.3	0	0	0	0	114	D626	T624-D626 PolarHBondContact O-N 2.92Å
625	V	41.3	Very low	45.4	Very low	146 Å²	146	100.5 Å²	100.5	89%	0.885	57%	0.567	S	S	*	*			trans	-73.8	103.6	-178.2	-173	0	0	0	0	111.3
626	D	39.1	Very low	47.2	Very low	153 Å²	153	101.1 Å²	101.1	82%	0.818	57%	0.565	S	S	*	*			trans	-151.9	127.9	159.5	-129	-27.5	0	0	0	110.6	T624	T624-D626 PolarHBondContact O-N 2.92Å
627	A	46.3	Very low	49.3	Very low	94 Å²	94	96.3 Å²	96.3	78%	0.777	54%	0.544	S	S	*	.			trans	51	60.6	175.8	0	0	0	0	0	118.4
628	L	42.6	Very low	51.6	Low	101 Å²	101	95.4 Å²	95.4	53%	0.529	54%	0.537	S	S	.	.			trans	-56.6	144.5	145.8	-77.8	171.9	0	0	0	109.1	M630 E644	L628-M630 PolarHBondContact O-N 3.25Å; L628-E644 HydrophobicContact CD2-CG 3.87Å
629	P	49.9	Very low	54.2	Low	36 Å²	36	98 Å²	98	23%	0.234	54%	0.541	C	S	.	.			trans	-63.9	108.8	172.1	27.7	-33.3	0	0	0	108.7	L631 I643 A647	P629-L631 PolarHBondContact O-N 3.36Å; P629-L631 VanDerWaalsContact O-N 3.13Å; P629-I643 HydrophobicContact CG-CG2 4.05Å; P629-A647 HydrophobicContact CG-CB 4.06Å
630	M	49.7	Very low	56.2	Low	142 Å²	142	99.6 Å²	99.6	70%	0.7	55%	0.545	S	S	*	.			trans	-65.5	115.3	-178.4	-69.1	176.6	63.9	0	0	109.7	L628 L658	L628-M630 PolarHBondContact O-N 3.25Å; M630-L658 HydrophobicContact CB-CD2 3.83Å; M630-L658 VanDerWaalsContact O-CD2 3.28Å; M630-L658 WeakPolarHBondContact O-CD2 3.34Å
631	L	60.1	Low	58.5	Low	51 Å²	51	95.7 Å²	95.7	27%	0.267	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-73.7	141.4	162.5	-46.7	96.2	0	0	0	108.2	P629 D633 I643 W659 W794	P629-L631 PolarHBondContact O-N 3.36Å; P629-L631 VanDerWaalsContact O-N 3.13Å; L631-D633 VanDerWaalsContact C-N 3.34Å; L631-D633 WeakPolarHBondContact CB-O 3.47Å; L631-I643 HydrophobicContact CD1-CD1 3.85Å; L631-I643 HydrophobicContact CD1-CG2 4.28Å; L631-I643 HydrophobicContact CD2-CD1 3.89Å; L631-I643 HydrophobicContact CD2-CG1 4.23Å; L631-W659 WeakPolarHBondContact CA-O 3.25Å; L631-W659 HydrophobicContact CB-CB 4.26Å; L631-W659 HydrophobicContact CD2-CB 4.06Å; L631-W659 HydrophobicContact CD2-CD2 4.48Å; L631-W659 HydrophobicContact CD2-CE3 4.11Å; L631-W659 HydrophobicContact CG-CB 4.07Å; L631-W794 HydrophobicContact CB-CZ3 4.41Å; L631-W794 HydrophobicContact CD2-CE3 4.43Å; L631-W794 HydrophobicContact CD2-CH2 4.02Å; L631-W794 HydrophobicContact CD2-CZ3 3.92Å
632	I	61.8	Low	60.4	Low	90 Å²	90	88 Å²	88	46%	0.462	50%	0.499	S	S	.	.	S	Bend	trans	-74.7	-33.9	171.7	-71.9	156.2	0	0	0	109.8	L658 W659 R660	I632-L658 HydrophobicContact CD1-CB 3.55Å; I632-L658 HydrophobicContact CD1-CD1 4.01Å; I632-L658 HydrophobicContact CD1-CG 4.44Å; I632-L658 HydrophobicContact CG1-CB 3.93Å; I632-L658 HydrophobicContact CG1-CD1 4.1Å; I632-W659 PolarHBondContact N-O 2.85Å; I632-R660 HydrophobicContact CD1-CB 4.02Å
633	D	60.8	Low	63.1	Low	57 Å²	57	82.6 Å²	82.6	31%	0.305	47%	0.469	S	S	.	.	S	Bend	trans	-119	146.6	-178.8	-55.5	-77.3	0	0	0	110.2	L631 L661 W794	L631-D633 VanDerWaalsContact C-N 3.34Å; L631-D633 WeakPolarHBondContact CB-O 3.47Å; D633-L661 HydrophobicContact CB-CB 3.7Å; D633-L661 PolarHBondContact OD2-N 3.45Å; D633-W794 HydrophobicContact CB-CH2 4.05Å; D633-W794 HydrophobicContact CB-CZ3 4.03Å; D633-W794 VanDerWaalsContact O-CH2 3.31Å; D633-W794 WeakPolarHBondContact O-CH2 3.38Å
634	N	69.1	Low	65.3	Low	139 Å²	139	81 Å²	81	74%	0.743	45%	0.45	S	S	*	.			trans	-71.1	134.8	169.1	-62.8	-28.2	0	0	0	109.7
635	S	77.9	Confident	67.8	Low	23 Å²	23	77.7 Å²	77.7	16%	0.161	42%	0.424	C	S	.	.			trans	-81.1	139.5	166.1	-177.1	0	0	0	0	110.1	L637 L638 E792 W794	S635-L637 PolarHBondContact OG-N 2.81Å; S635-L638 WeakPolarHBondContact OG-CB 3.39Å; S635-L638 PolarHBondContact OG-N 2.97Å; S635-E792 WeakPolarHBondContact CA-OE1 3.22Å; S635-E792 VanDerWaalsContact OG-CD 3.31Å; S635-E792 PolarHBondContact OG-OE1 2.75Å; S635-E792 PolarHBondContact OG-OE2 3.16Å; S635-W794 VanDerWaalsContact CB-CZ2 3.42Å
636	D	77.6	Confident	70	Confident	86 Å²	86	70.7 Å²	70.7	46%	0.46	38%	0.382	S	S	.	.	S	Bend	trans	-92.1	-8.3	172.9	-53.5	-62.1	0	0	0	111.1	K667 E792	D636-K667 IonicContact OD1-NZ 3.73Å; D636-K667 VanDerWaalsContact OD2-CE 3.27Å; D636-K667 WeakPolarHBondContact OD2-CE 3.29Å; D636-K667 IonicContact OD2-NZ 3.37Å; D636-K667 PolarHBondContact OD2-NZ 2.82Å; D636-E792 PolarHBondContact N-OE1 2.89Å
637	L	83.7	Confident	72.2	Confident	14 Å²	14	64.3 Å²	64.3	7%	0.073	35%	0.35	C	S	.	.	S	Bend	trans	-116.7	-37.9	-174.9	-50.1	-175	0	0	0	114.2	S635 V689 K691 I697 E792	S635-L637 PolarHBondContact OG-N 2.81Å; L637-V689 HydrophobicContact CB-CG1 4.4Å; L637-V689 HydrophobicContact CD1-CG1 4.44Å; L637-K691 HydrophobicContact CD1-CB 4.26Å; L637-K691 HydrophobicContact CD2-CB 4.32Å; L637-K691 HydrophobicContact CD2-CD 4.05Å; L637-I697 VanDerWaalsContact O-CD1 3.28Å; L637-I697 WeakPolarHBondContact O-CD1 3.21Å; L637-E792 HydrophobicContact CD1-CB 4.32Å; L637-E792 HydrophobicContact CD1-CG 3.73Å; L637-E792 HydrophobicContact CG-CG 4.03Å
638	L	83.7	Confident	74	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.047	33%	0.329	C	S	.	.			trans	-91.2	124.7	-179.8	-60.1	178.8	0	0	0	110.6	S635 H642 I643 L646 W659 V689 I697	S635-L638 WeakPolarHBondContact OG-CB 3.39Å; S635-L638 PolarHBondContact OG-N 2.97Å; L638-H642 HydrophobicContact CB-CB 4.37Å; L638-H642 HydrophobicContact CD2-CB 4.01Å; L638-I643 HydrophobicContact CB-CD1 4.04Å; L638-I643 HydrophobicContact CB-CG1 3.78Å; L638-I643 HydrophobicContact CD1-CG1 4.06Å; L638-L646 HydrophobicContact CD1-CD1 4.22Å; L638-L646 HydrophobicContact CD2-CD1 4.03Å; L638-W659 HydrophobicContact CD1-CZ3 3.83Å; L638-V689 HydrophobicContact CD1-CG2 3.96Å; L638-V689 HydrophobicContact CD2-CG1 3.7Å; L638-V689 HydrophobicContact CD2-CG2 4.27Å; L638-V689 HydrophobicContact CG-CG1 4.09Å; L638-V689 HydrophobicContact CG-CG2 4.24Å; L638-I697 HydrophobicContact CD2-CG2 4.19Å
639	Q	83.3	Confident	76	Confident	127 Å²	127	61.6 Å²	61.6	59%	0.593	32%	0.32	S	S	*	.			trans	-79.6	159	166	-61.2	179	1.4	0	0	109.8	T641 H642 I643	Q639-T641 PolarHBondContact O-N 2.87Å; Q639-T641 VanDerWaalsContact O-N 3.1Å; Q639-H642 WeakPolarHBondContact O-CA 3.45Å; Q639-H642 WeakPolarHBondContact O-CB 3.49Å; Q639-H642 PolarHBondContact O-N 3.2Å; Q639-I643 PolarHBondContact O-N 3.27Å; Q639-I643 VanDerWaalsContact O-N 3.07Å
640	D	78.8	Confident	77.9	Confident	112 Å²	112	60.1 Å²	60.1	60%	0.599	31%	0.31	S	S	*	.	H	α-helix	trans	-48	-43	177.8	-54.3	-22.1	0	0	0	112.2	H642 I643 E644	D640-H642 VanDerWaalsContact C-N 3.3Å; D640-H642 PolarHBondContact O-N 3.08Å; D640-I643 WeakPolarHBondContact O-CB 3.47Å; D640-I643 PolarHBondContact O-N 3.41Å; D640-I643 VanDerWaalsContact O-N 3.12Å; D640-E644 WeakPolarHBondContact O-CG 3.12Å; D640-E644 PolarHBondContact O-N 2.92Å
641	T	80.5	Confident	79.6	Confident	63 Å²	63	54 Å²	54	39%	0.387	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-26.2	177.8	60	0	0	0	0	114	Q639 K645	Q639-T641 PolarHBondContact O-N 2.87Å; Q639-T641 VanDerWaalsContact O-N 3.1Å; T641-K645 VanDerWaalsContact O-CB 3.32Å; T641-K645 WeakPolarHBondContact O-CB 3.31Å; T641-K645 WeakPolarHBondContact O-CD 3.21Å; T641-K645 WeakPolarHBondContact O-CG 3.33Å; T641-K645 PolarHBondContact O-N 2.9Å
642	H	84.1	Confident	80.8	Confident	34 Å²	34	55.5 Å²	55.5	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-78.7	-37.2	172.1	-60.1	159.1	0	0	0	110.8	L638 Q639 D640 K645 L646 F723	L638-H642 HydrophobicContact CB-CB 4.37Å; L638-H642 HydrophobicContact CD2-CB 4.01Å; Q639-H642 WeakPolarHBondContact O-CA 3.45Å; Q639-H642 WeakPolarHBondContact O-CB 3.49Å; Q639-H642 PolarHBondContact O-N 3.2Å; D640-H642 VanDerWaalsContact C-N 3.3Å; D640-H642 PolarHBondContact O-N 3.08Å; H642-K645 PolarHBondContact O-N 3.16Å; H642-L646 WeakPolarHBondContact O-CB 3.16Å; H642-L646 WeakPolarHBondContact O-CG 3.28Å; H642-L646 PolarHBondContact O-N 3.35Å; H642-F723 HydrophobicContact CB-CE1 4.13Å; H642-F723 HydrophobicContact CB-CE2 4.27Å; H642-F723 HydrophobicContact CB-CZ 3.7Å; H642-F723 AromaticContact CD2-CD1 3.96Å; H642-F723 AromaticContact CD2-CE1 3.74Å
643	I	85.6	Confident	81.8	Confident	9 Å²	9	56.7 Å²	56.7	5%	0.046	30%	0.299	C	S	.	.	H	α-helix	trans	-67.2	-48.5	178.2	-65	150.2	0	0	0	110.4	P629 L631 L638 Q639 D640 K645 L646 A647 W659	P629-I643 HydrophobicContact CG-CG2 4.05Å; L631-I643 HydrophobicContact CD1-CD1 3.85Å; L631-I643 HydrophobicContact CD1-CG2 4.28Å; L631-I643 HydrophobicContact CD2-CD1 3.89Å; L631-I643 HydrophobicContact CD2-CG1 4.23Å; L638-I643 HydrophobicContact CB-CD1 4.04Å; L638-I643 HydrophobicContact CB-CG1 3.78Å; L638-I643 HydrophobicContact CD1-CG1 4.06Å; Q639-I643 PolarHBondContact O-N 3.27Å; Q639-I643 VanDerWaalsContact O-N 3.07Å; D640-I643 WeakPolarHBondContact O-CB 3.47Å; D640-I643 PolarHBondContact O-N 3.41Å; D640-I643 VanDerWaalsContact O-N 3.12Å; I643-K645 PolarHBondContact O-N 2.98Å; I643-L646 PolarHBondContact O-N 2.92Å; I643-A647 VanDerWaalsContact O-CB 3.3Å; I643-A647 WeakPolarHBondContact O-CB 3.33Å; I643-A647 PolarHBondContact O-N 3.38Å; I643-W659 HydrophobicContact CG2-CH2 4.3Å; I643-W659 HydrophobicContact CG2-CZ2 4.4Å; I643-W659 HydrophobicContact CG2-CZ3 4.46Å
644	E	82.1	Confident	83	Confident	77 Å²	77	54.2 Å²	54.2	36%	0.36	29%	0.286	S	S	.	.	H	α-helix	trans	-52	-52.9	171.9	-73	174.2	174.2	0	0	111.3	L628 D640 L646 A647 C648	L628-E644 HydrophobicContact CD2-CG 3.87Å; D640-E644 WeakPolarHBondContact O-CG 3.12Å; D640-E644 PolarHBondContact O-N 2.92Å; E644-L646 VanDerWaalsContact C-N 3.33Å; E644-L646 PolarHBondContact O-N 3.09Å; E644-A647 PolarHBondContact O-N 3.3Å; E644-C648 PolarHBondContact O-N 3.19Å; E644-C648 PolarHBondContact O-SG 2.86Å
645	K	85.6	Confident	83.6	Confident	68 Å²	68	50.8 Å²	50.8	30%	0.296	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-35.4	-178.4	-78.6	176.6	-176.2	178.5	0	113.1	C619 T641 H642 I643 R649 F723 I727	C619-K645 VanDerWaalsContact SG-CE 3.59Å; T641-K645 VanDerWaalsContact O-CB 3.32Å; T641-K645 WeakPolarHBondContact O-CB 3.31Å; T641-K645 WeakPolarHBondContact O-CD 3.21Å; T641-K645 WeakPolarHBondContact O-CG 3.33Å; T641-K645 PolarHBondContact O-N 2.9Å; H642-K645 PolarHBondContact O-N 3.16Å; I643-K645 PolarHBondContact O-N 2.98Å; K645-R649 VanDerWaalsContact O-CG 3.3Å; K645-R649 WeakPolarHBondContact O-CG 3.42Å; K645-F723 HydrophobicContact CB-CE1 4.11Å; K645-F723 HydrophobicContact CD-CE1 4.35Å; K645-I727 HydrophobicContact CB-CD1 4.18Å; K645-I727 HydrophobicContact CB-CG2 4.13Å; K645-I727 HydrophobicContact CD-CG2 4.48Å; K645-I727 HydrophobicContact CG-CG2 4.46Å
646	L	87.9	Confident	83.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-75.7	-43.3	175.3	-82.1	161.1	0	0	0	112.2	L638 H642 I643 E644 C648 R649 L650 W659 L687 Y721 F723 I727	L638-L646 HydrophobicContact CD1-CD1 4.22Å; L638-L646 HydrophobicContact CD2-CD1 4.03Å; H642-L646 WeakPolarHBondContact O-CB 3.16Å; H642-L646 WeakPolarHBondContact O-CG 3.28Å; H642-L646 PolarHBondContact O-N 3.35Å; I643-L646 PolarHBondContact O-N 2.92Å; E644-L646 VanDerWaalsContact C-N 3.33Å; E644-L646 PolarHBondContact O-N 3.09Å; L646-C648 VanDerWaalsContact C-N 3.28Å; L646-C648 PolarHBondContact O-N 3.07Å; L646-R649 WeakPolarHBondContact O-CA 3.27Å; L646-R649 PolarHBondContact O-N 3.03Å; L646-L650 WeakPolarHBondContact O-CG 3.42Å; L646-L650 PolarHBondContact O-N 3.03Å; L646-W659 HydrophobicContact CB-CH2 3.76Å; L646-W659 HydrophobicContact CB-CZ2 4.46Å; L646-W659 HydrophobicContact CD1-CH2 4.43Å; L646-L687 HydrophobicContact CD1-CD2 4.4Å; L646-L687 HydrophobicContact CD2-CD1 4.5Å; L646-Y721 HydrophobicContact CD1-CE2 4.32Å; L646-Y721 HydrophobicContact CD2-CD1 4.04Å; L646-Y721 HydrophobicContact CD2-CD2 3.99Å; L646-Y721 HydrophobicContact CD2-CE1 3.95Å; L646-Y721 HydrophobicContact CD2-CE2 3.92Å; L646-Y721 HydrophobicContact CD2-CG 4.06Å; L646-F723 HydrophobicContact CD1-CE2 3.96Å; L646-F723 HydrophobicContact CD1-CZ 3.92Å; L646-F723 HydrophobicContact CG-CE2 4.23Å; L646-F723 HydrophobicContact CG-CZ 3.88Å; L646-I727 HydrophobicContact CD2-CD1 3.89Å; L646-I727 HydrophobicContact CG-CD1 3.94Å
647	A	86	Confident	83.9	Confident	19 Å²	19	55.2 Å²	55.2	16%	0.157	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-40.9	-179.2	0	0	0	0	0	112.3	P629 I643 E644 R649 Q655 W659	P629-A647 HydrophobicContact CG-CB 4.06Å; I643-A647 VanDerWaalsContact O-CB 3.3Å; I643-A647 WeakPolarHBondContact O-CB 3.33Å; I643-A647 PolarHBondContact O-N 3.38Å; E644-A647 PolarHBondContact O-N 3.3Å; A647-R649 PolarHBondContact O-N 3.46Å; A647-Q655 PolarHBondContact O-NE2 2.81Å; A647-W659 HydrophobicContact CB-CZ2 4.21Å
648	C	83	Confident	84	Confident	51 Å²	51	58 Å²	58	35%	0.345	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.8	174.9	-65	0	0	0	0	114.7	E644 L646	E644-C648 PolarHBondContact O-N 3.19Å; E644-C648 PolarHBondContact O-SG 2.86Å; L646-C648 VanDerWaalsContact C-N 3.28Å; L646-C648 PolarHBondContact O-N 3.07Å
649	R	85.5	Confident	84.3	Confident	86 Å²	86	57.8 Å²	57.8	33%	0.325	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-15.5	-177.7	-59.8	-61	-167.6	-147.9	4.5	114.3	F616 K645 L646 A647 I727 V729 R731	F616-R649 PolarHBondContact O-NH1 3.45Å; K645-R649 VanDerWaalsContact O-CG 3.3Å; K645-R649 WeakPolarHBondContact O-CG 3.42Å; L646-R649 WeakPolarHBondContact O-CA 3.27Å; L646-R649 PolarHBondContact O-N 3.03Å; A647-R649 PolarHBondContact O-N 3.46Å; R649-I727 HydrophobicContact CG-CD1 4.37Å; R649-V729 HydrophobicContact CB-CG2 4.08Å; R649-V729 HydrophobicContact CG-CG2 4.06Å; R649-R731 PolarHBondContact O-NH1 2.96Å
650	L	88.5	Confident	84.6	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.031	30%	0.3	C	S	.	.	S	Bend	trans	-62.9	156.4	172.4	-74.3	175.6	0	0	0	112.2	L646 V654 Q655 W659 L687 F701 F719 F796	L646-L650 WeakPolarHBondContact O-CG 3.42Å; L646-L650 PolarHBondContact O-N 3.03Å; L650-V654 HydrophobicContact CB-CG2 3.8Å; L650-V654 HydrophobicContact CD1-CG2 4.19Å; L650-V654 HydrophobicContact CD2-CG2 4.41Å; L650-V654 HydrophobicContact CG-CG2 4.37Å; L650-Q655 HydrophobicContact CB-CG 4.44Å; L650-Q655 PolarHBondContact O-NE2 3.25Å; L650-W659 HydrophobicContact CD1-CH2 4.34Å; L650-W659 HydrophobicContact CD1-CZ2 3.55Å; L650-L687 HydrophobicContact CD2-CD1 4.44Å; L650-F701 HydrophobicContact CD2-CB 4.49Å; L650-F701 HydrophobicContact CD2-CD2 3.38Å; L650-F701 HydrophobicContact CD2-CE2 3.8Å; L650-F701 HydrophobicContact CD2-CG 4.1Å; L650-F719 HydrophobicContact CD2-CZ 4.24Å; L650-F796 HydrophobicContact CD1-CD1 4.49Å; L650-F796 HydrophobicContact CD1-CE1 3.47Å; L650-F796 VanDerWaalsContact CD1-CE1 3.47Å; L650-F796 HydrophobicContact CD1-CZ 3.64Å; L650-F796 HydrophobicContact CD2-CZ 3.95Å; L650-F796 HydrophobicContact CG-CZ 4.49Å
651	P	86.9	Confident	85.3	Confident	12 Å²	12	51.7 Å²	51.7	8%	0.078	28%	0.276	C	S	.	.			trans	-63.3	144.2	176.7	-21.4	34	0	0	0	112.7	R653 V654 Q655 F701 E717	P651-R653 HydrophobicContact CB-CG 4.4Å; P651-R653 PolarHBondContact O-N 3.07Å; P651-V654 VanDerWaalsContact O-CG2 3.26Å; P651-V654 WeakPolarHBondContact O-CG2 3.4Å; P651-V654 PolarHBondContact O-N 2.94Å; P651-Q655 PolarHBondContact O-N 3.43Å; P651-F701 HydrophobicContact CG-CD1 4.2Å; P651-F701 HydrophobicContact CG-CE1 3.51Å; P651-F701 HydrophobicContact CG-CZ 3.7Å; P651-E717 HydrophobicContact CG-CB 4.42Å
652	A	83.6	Confident	85.9	Confident	83 Å²	83	49 Å²	49	69%	0.686	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-13.3	-178.3	0	0	0	0	0	115.6
653	R	83.3	Confident	86.4	Confident	115 Å²	115	47.4 Å²	47.4	43%	0.434	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11.2	173.2	70.3	141	175.7	-83.2	-5.3	115.2	P651 Y657 E717	P651-R653 HydrophobicContact CB-CG 4.4Å; P651-R653 PolarHBondContact O-N 3.07Å; R653-Y657 WeakPolarHBondContact O-CE2 3.47Å; R653-E717 IonicContact CZ-OE1 2.7Å; R653-E717 IonicContact CZ-OE2 3.23Å; R653-E717 IonicContact NH1-OE1 3.98Å; R653-E717 PolarHBondContact NH1-OE1 3.25Å; R653-E717 IonicContact NH1-OE2 2.7Å; R653-E717 PolarHBondContact NH1-OE2 2.85Å; R653-E717 IonicContact NH2-OE1 3.41Å; R653-E717 IonicContact NH2-OE2 2.78Å; R653-E717 PolarHBondContact NH2-OE2 3.46Å
654	V	85.7	Confident	86.9	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.03	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-10.2	173.3	-60.9	0	0	0	0	112.7	L650 P651 G656 Y657 P685 F701 F796	L650-V654 HydrophobicContact CB-CG2 3.8Å; L650-V654 HydrophobicContact CD1-CG2 4.19Å; L650-V654 HydrophobicContact CD2-CG2 4.41Å; L650-V654 HydrophobicContact CG-CG2 4.37Å; P651-V654 VanDerWaalsContact O-CG2 3.26Å; P651-V654 WeakPolarHBondContact O-CG2 3.4Å; P651-V654 PolarHBondContact O-N 2.94Å; V654-G656 PolarHBondContact O-N 3.09Å; V654-Y657 PolarHBondContact O-N 2.8Å; V654-P685 HydrophobicContact CG1-CG 3.49Å; V654-P685 VanDerWaalsContact CG1-CG 3.49Å; V654-F701 HydrophobicContact CG2-CE2 4.23Å; V654-F701 HydrophobicContact CG2-CZ 4.47Å; V654-F796 HydrophobicContact CB-CB 4.08Å; V654-F796 HydrophobicContact CB-CD1 4.07Å; V654-F796 HydrophobicContact CB-CD2 4.06Å; V654-F796 HydrophobicContact CB-CG 3.77Å; V654-F796 HydrophobicContact CG1-CB 4.04Å; V654-F796 HydrophobicContact CG1-CD2 3.87Å; V654-F796 HydrophobicContact CG1-CG 3.93Å; V654-F796 HydrophobicContact CG2-CD2 4.47Å; V654-F796 HydrophobicContact CG2-CG 4.47Å
655	Q	83.3	Confident	87.4	Confident	67 Å²	67	44 Å²	44	31%	0.313	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	127.4	171.5	-71.2	-178	-39.3	0	0	110.1	A647 L650 P651	A647-Q655 PolarHBondContact O-NE2 2.81Å; L650-Q655 HydrophobicContact CB-CG 4.44Å; L650-Q655 PolarHBondContact O-NE2 3.25Å; P651-Q655 PolarHBondContact O-N 3.43Å
656	G	76.8	Confident	87.7	Confident	80 Å²	80	46.2 Å²	46.2	83%	0.825	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-4	-176.5	0	0	0	0	0	115.7	V654	V654-G656 PolarHBondContact O-N 3.09Å
657	Y	84.3	Confident	87.8	Confident	123 Å²	123	51.2 Å²	51.2	48%	0.482	27%	0.27	S	S	.	.	S	Bend	trans	-79.7	156.7	166.2	-77.5	-93.4	0	0	0	111	R653 V654	R653-Y657 WeakPolarHBondContact O-CE2 3.47Å; V654-Y657 PolarHBondContact O-N 2.8Å
658	L	85.3	Confident	88.2	Confident	72 Å²	72	53.8 Å²	53.8	38%	0.377	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-80.4	142.5	-179.1	-58.1	177.2	0	0	0	110.1	M630 I632 F796 E797	M630-L658 HydrophobicContact CB-CD2 3.83Å; M630-L658 VanDerWaalsContact O-CD2 3.28Å; M630-L658 WeakPolarHBondContact O-CD2 3.34Å; I632-L658 HydrophobicContact CD1-CB 3.55Å; I632-L658 HydrophobicContact CD1-CD1 4.01Å; I632-L658 HydrophobicContact CD1-CG 4.44Å; I632-L658 HydrophobicContact CG1-CB 3.93Å; I632-L658 HydrophobicContact CG1-CD1 4.1Å; L658-F796 WeakPolarHBondContact O-CA 3.46Å; L658-E797 PolarHBondContact N-O 3.02Å; L658-E797 PolarHBondContact O-N 3.39Å
659	W	89.7	Confident	88.7	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.7	179.8	-68.8	37.3	0	0	0	109.3	L631 I632 L638 I643 L646 A647 L650 L687 W794 F796	L631-W659 WeakPolarHBondContact CA-O 3.25Å; L631-W659 HydrophobicContact CB-CB 4.26Å; L631-W659 HydrophobicContact CD2-CB 4.06Å; L631-W659 HydrophobicContact CD2-CD2 4.48Å; L631-W659 HydrophobicContact CD2-CE3 4.11Å; L631-W659 HydrophobicContact CG-CB 4.07Å; I632-W659 PolarHBondContact N-O 2.85Å; L638-W659 HydrophobicContact CD1-CZ3 3.83Å; I643-W659 HydrophobicContact CG2-CH2 4.3Å; I643-W659 HydrophobicContact CG2-CZ2 4.4Å; I643-W659 HydrophobicContact CG2-CZ3 4.46Å; L646-W659 HydrophobicContact CB-CH2 3.76Å; L646-W659 HydrophobicContact CB-CZ2 4.46Å; L646-W659 HydrophobicContact CD1-CH2 4.43Å; A647-W659 HydrophobicContact CB-CZ2 4.21Å; L650-W659 HydrophobicContact CD1-CH2 4.34Å; L650-W659 HydrophobicContact CD1-CZ2 3.55Å; W659-L687 HydrophobicContact CE3-CD2 4.25Å; W659-L687 HydrophobicContact CH2-CD2 3.66Å; W659-L687 HydrophobicContact CZ3-CD2 3.49Å; W659-L687 VanDerWaalsContact CZ3-CD2 3.49Å; W659-W794 HydrophobicContact CB-CE3 3.9Å; W659-W794 HydrophobicContact CB-CZ3 4.35Å; W659-W794 HydrophobicContact CE3-CD2 4.44Å; W659-W794 HydrophobicContact CE3-CG 4.43Å; W659-F796 AromaticContact CD1-CD1 3.94Å; W659-F796 AromaticContact CD1-CE1 3.89Å; W659-F796 HydrophobicContact CD2-CE1 4.07Å; W659-F796 AromaticContact CE2-CE1 3.81Å; W659-F796 HydrophobicContact CG-CD1 4.42Å; W659-F796 HydrophobicContact CG-CE1 4.16Å; W659-F796 HydrophobicContact CZ2-CE1 4.39Å; W659-F796 AromaticContact NE1-CE1 3.66Å
660	R	90.6	Very high	89.1	Confident	92 Å²	92	52.6 Å²	52.6	35%	0.347	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.1	180	-179.9	-174.3	163.6	-132.1	-12.8	110.9	I632 V662 W794 T795 E797	I632-R660 HydrophobicContact CD1-CB 4.02Å; R660-V662 PolarHBondContact O-N 3.04Å; R660-W794 VanDerWaalsContact C-CE3 3.46Å; R660-W794 CarbonylContact O-C 3.41Å; R660-W794 WeakPolarHBondContact O-CA 3.2Å; R660-T795 HydrophobicContact CB-CG2 3.92Å; R660-T795 HydrophobicContact CG-CG2 4.4Å; R660-T795 PolarHBondContact N-O 2.85Å; R660-T795 PolarHBondContact O-N 3.45Å; R660-E797 VanDerWaalsContact CD-OE2 3.28Å; R660-E797 WeakPolarHBondContact CD-OE2 3.48Å; R660-E797 IonicContact CZ-OE1 2.63Å; R660-E797 IonicContact NE-OE2 3.98Å; R660-E797 IonicContact NH1-OE1 2.64Å; R660-E797 PolarHBondContact NH1-OE1 3.45Å; R660-E797 IonicContact NH1-OE2 2.72Å; R660-E797 PolarHBondContact NH1-OE2 2.96Å
661	L	92.4	Very high	89.4	Confident	20 Å²	20	54.4 Å²	54.4	11%	0.105	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	112.4	-179.9	-174.7	63.5	0	0	0	110.4	D633 Y663 K667 E792 W794	D633-L661 HydrophobicContact CB-CB 3.7Å; D633-L661 PolarHBondContact OD2-N 3.45Å; L661-Y663 WeakPolarHBondContact CD1-O 3.43Å; L661-K667 HydrophobicContact CD2-CD 3.79Å; L661-E792 HydrophobicContact CD1-CB 3.94Å; L661-E792 HydrophobicContact CD1-CG 3.98Å; L661-W794 HydrophobicContact CB-CE3 4.16Å; L661-W794 HydrophobicContact CB-CH2 3.88Å; L661-W794 HydrophobicContact CB-CZ2 4.26Å; L661-W794 HydrophobicContact CB-CZ3 3.84Å; L661-W794 HydrophobicContact CD1-CD2 4.15Å; L661-W794 HydrophobicContact CD1-CH2 4.2Å; L661-W794 HydrophobicContact CD1-CZ2 3.7Å; L661-W794 HydrophobicContact CG-CH2 4.45Å; L661-W794 HydrophobicContact CG-CZ2 4.4Å
662	V	93.7	Very high	89.8	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-35	178.6	-177.2	0	0	0	0	111.6	R660 N678 L679 V682 V793 T795	R660-V662 PolarHBondContact O-N 3.04Å; V662-N678 HydrophobicContact CG1-CB 4.04Å; V662-N678 WeakPolarHBondContact CG1-O 3.44Å; V662-N678 PolarHBondContact O-ND2 3.01Å; V662-L679 HydrophobicContact CB-CD2 4.39Å; V662-L679 HydrophobicContact CG1-CD2 3.78Å; V662-L679 HydrophobicContact CG1-CG 4.12Å; V662-V682 HydrophobicContact CG1-CG2 4.1Å; V662-V682 HydrophobicContact CG2-CG2 4.3Å; V662-V793 PolarHBondContact N-O 2.94Å; V662-T795 HydrophobicContact CG2-CG2 3.31Å
663	Y	94.8	Very high	90.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.8	179.6	-166.7	-95.6	0	0	0	111	L661 T665 H668 G669 S671 T674 L675 N678 L764 L791 E792 V793	L661-Y663 WeakPolarHBondContact CD1-O 3.43Å; Y663-T665 HydrophobicContact CE1-CG2 4.18Å; Y663-H668 HydrophobicContact CD2-CB 3.92Å; Y663-H668 HydrophobicContact CE2-CB 3.58Å; Y663-G669 PolarHBondContact OH-O 3.22Å; Y663-S671 PolarHBondContact OH-O 2.89Å; Y663-T674 HydrophobicContact CE2-CG2 3.95Å; Y663-L675 HydrophobicContact CD1-CB 4.25Å; Y663-L675 HydrophobicContact CD1-CD1 3.91Å; Y663-L675 HydrophobicContact CD1-CG 4.23Å; Y663-L675 HydrophobicContact CD2-CB 3.98Å; Y663-L675 HydrophobicContact CD2-CG 4.44Å; Y663-L675 HydrophobicContact CE1-CB 4.12Å; Y663-L675 HydrophobicContact CE1-CD1 4.11Å; Y663-L675 HydrophobicContact CE1-CG 4.5Å; Y663-L675 VanDerWaalsContact CE2-CA 3.42Å; Y663-L675 HydrophobicContact CE2-CB 3.8Å; Y663-L675 VanDerWaalsContact CE2-N 3.3Å; Y663-L675 HydrophobicContact CG-CB 4.17Å; Y663-L675 HydrophobicContact CG-CD1 4.34Å; Y663-L675 HydrophobicContact CG-CG 4.18Å; Y663-N678 HydrophobicContact CD2-CB 4.4Å; Y663-L764 HydrophobicContact CE1-CD1 3.72Å; Y663-L791 HydrophobicContact CD1-CD2 3.97Å; Y663-L791 HydrophobicContact CE1-CD2 4.26Å; Y663-E792 CarbonylContact O-C 3.59Å; Y663-E792 VanDerWaalsContact O-CA 3.32Å; Y663-E792 WeakPolarHBondContact O-CA 3.36Å; Y663-V793 PolarHBondContact N-O 2.84Å; Y663-V793 VanDerWaalsContact N-O 3.14Å; Y663-V793 PolarHBondContact O-N 3.25Å
664	S	95.3	Very high	90.9	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	132.4	173	155.6	0	0	0	0	107	E666 K667 H668 L791	S664-E666 PolarHBondContact O-N 3.07Å; S664-E666 PolarHBondContact OG-N 3.42Å; S664-K667 PolarHBondContact O-N 2.89Å; S664-H668 PolarHBondContact N-ND1 3.38Å; S664-H668 VanDerWaalsContact N-ND1 3.17Å; S664-H668 WeakPolarHBondContact O-CB 3.49Å; S664-H668 PolarHBondContact O-N 2.7Å; S664-H668 PolarHBondContact O-ND1 3.31Å; S664-H668 VanDerWaalsContact O-ND1 3.15Å; S664-L791 CarbonylContact C-O 3.52Å; S664-L791 VanDerWaalsContact CA-O 3.31Å; S664-L791 WeakPolarHBondContact CA-O 3.24Å
665	T	94.1	Very high	91.4	Very high	13 Å²	13	50.5 Å²	50.5	8%	0.08	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-33.2	-179.1	45.1	0	0	0	0	112.9	Y663 G669 T670 L764 S790 L791	Y663-T665 HydrophobicContact CE1-CG2 4.18Å; T665-G669 WeakPolarHBondContact CA-O 3.31Å; T665-G669 CarbonylContact O-C 3.58Å; T665-G669 WeakPolarHBondContact O-CA 3.47Å; T665-G669 PolarHBondContact O-N 2.83Å; T665-T670 HydrophobicContact CG2-CG2 4.37Å; T665-L764 HydrophobicContact CG2-CB 4.49Å; T665-S790 WeakPolarHBondContact OG1-CA 3.47Å; T665-L791 HydrophobicContact CG2-CB 3.83Å; T665-L791 PolarHBondContact N-O 2.93Å; T665-L791 PolarHBondContact OG1-N 3.28Å; T665-L791 PolarHBondContact OG1-O 3.15Å
666	E	90.9	Very high	91.9	Very high	114 Å²	114	48.1 Å²	48.1	53%	0.533	26%	0.26	S	S	.	.	H	α-helix	trans	-74.9	-32	-179.5	-62.3	178.5	-148.1	0	0	112	S664 S790	S664-E666 PolarHBondContact O-N 3.07Å; S664-E666 PolarHBondContact OG-N 3.42Å; E666-S790 WeakPolarHBondContact OE1-CB 3.36Å; E666-S790 PolarHBondContact OE1-OG 2.88Å
667	K	91.3	Very high	92.8	Very high	105 Å²	105	52.3 Å²	52.3	46%	0.457	25%	0.251	S	S	.	.	H	α-helix	trans	-92.6	-23.6	-178.7	-68.1	156.7	179.3	155.1	0	113.4	D636 L661 S664	D636-K667 IonicContact OD1-NZ 3.73Å; D636-K667 VanDerWaalsContact OD2-CE 3.27Å; D636-K667 WeakPolarHBondContact OD2-CE 3.29Å; D636-K667 IonicContact OD2-NZ 3.37Å; D636-K667 PolarHBondContact OD2-NZ 2.82Å; L661-K667 HydrophobicContact CD2-CD 3.79Å; S664-K667 PolarHBondContact O-N 2.89Å
668	H	92.8	Very high	93.2	Very high	73 Å²	73	48.7 Å²	48.7	34%	0.338	24%	0.24	S	C	.	.	H	α-helix	trans	-128	-0.7	-170.9	-55.6	92.4	0	0	0	115	Y663 S664 T674 N678	Y663-H668 HydrophobicContact CD2-CB 3.92Å; Y663-H668 HydrophobicContact CE2-CB 3.58Å; S664-H668 PolarHBondContact N-ND1 3.38Å; S664-H668 VanDerWaalsContact N-ND1 3.17Å; S664-H668 WeakPolarHBondContact O-CB 3.49Å; S664-H668 PolarHBondContact O-N 2.7Å; S664-H668 PolarHBondContact O-ND1 3.31Å; S664-H668 VanDerWaalsContact O-ND1 3.15Å; H668-T674 HydrophobicContact CB-CG2 4.39Å; H668-N678 PolarHBondContact CD2-ND2 3.49Å; H668-N678 PolarHBondContact NE2-ND2 2.92Å
669	G	93.7	Very high	93.6	Very high	36 Å²	36	45.5 Å²	45.5	37%	0.371	22%	0.223	S	C	.	.			trans	78.9	-176.3	-172.4	0	0	0	0	0	112.7	Y663 T665	Y663-G669 PolarHBondContact OH-O 3.22Å; T665-G669 WeakPolarHBondContact CA-O 3.31Å; T665-G669 CarbonylContact O-C 3.58Å; T665-G669 WeakPolarHBondContact O-CA 3.47Å; T665-G669 PolarHBondContact O-N 2.83Å
670	T	93.8	Very high	93.5	Very high	75 Å²	75	51.5 Å²	51.5	46%	0.46	26%	0.255	S	S	.	.	S	Bend	trans	-102.6	6.8	-170.2	69.5	0	0	0	0	114.6	T665 L672 E763 L764	T665-T670 HydrophobicContact CG2-CG2 4.37Å; T670-L672 PolarHBondContact O-N 2.78Å; T670-E763 WeakPolarHBondContact CB-O 3.28Å; T670-E763 CarbonylContact O-C 3.52Å; T670-E763 PolarHBondContact OG1-O 3.36Å; T670-L764 WeakPolarHBondContact O-CB 3.23Å; T670-L764 WeakPolarHBondContact O-CD1 2.88Å; T670-L764 WeakPolarHBondContact O-CG 3.38Å; T670-L764 PolarHBondContact O-N 3.07Å
671	S	95.3	Very high	93.3	Very high	44 Å²	44	54.8 Å²	54.8	31%	0.308	28%	0.28	S	S	.	.			trans	-78.7	123	-177.2	-167.1	0	0	0	0	113.3	Y663 K673 T674 L675	Y663-S671 PolarHBondContact OH-O 2.89Å; S671-K673 PolarHBondContact O-N 3.26Å; S671-K673 VanDerWaalsContact O-N 3.1Å; S671-K673 PolarHBondContact OG-N 3.13Å; S671-T674 WeakPolarHBondContact O-CA 3.32Å; S671-T674 WeakPolarHBondContact O-CB 3.29Å; S671-T674 PolarHBondContact O-N 3.21Å; S671-L675 PolarHBondContact O-N 2.85Å; S671-L675 VanDerWaalsContact O-N 3.16Å
672	L	95.4	Very high	93.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-54.9	-29.2	171.3	179.3	64.3	0	0	0	112.4	T670 T674 L675 Y676 S746 L747 G762 L764	T670-L672 PolarHBondContact O-N 2.78Å; L672-T674 VanDerWaalsContact C-N 3.32Å; L672-T674 PolarHBondContact O-N 3.35Å; L672-L675 HydrophobicContact CD1-CD2 4.08Å; L672-L675 WeakPolarHBondContact O-CB 3.47Å; L672-L675 PolarHBondContact O-N 3.02Å; L672-Y676 HydrophobicContact CD1-CE1 4.24Å; L672-Y676 HydrophobicContact CD1-CE2 4.06Å; L672-Y676 HydrophobicContact CD2-CE2 3.92Å; L672-Y676 HydrophobicContact CG-CD2 4.18Å; L672-Y676 HydrophobicContact CG-CE2 3.58Å; L672-Y676 VanDerWaalsContact O-CD2 3.27Å; L672-Y676 WeakPolarHBondContact O-CD2 3.46Å; L672-Y676 PolarHBondContact O-N 3.28Å; L672-S746 VanDerWaalsContact CD2-C 3.48Å; L672-L747 HydrophobicContact CD1-CB 3.95Å; L672-L747 HydrophobicContact CD1-CD2 4.38Å; L672-L747 HydrophobicContact CD2-CB 4.34Å; L672-G762 WeakPolarHBondContact CB-O 3.23Å; L672-G762 PolarHBondContact N-O 2.84Å; L672-L764 HydrophobicContact CB-CD2 4.19Å; L672-L764 HydrophobicContact CB-CG 4.28Å; L672-L764 HydrophobicContact CD1-CD2 4.03Å
673	K	95	Very high	92.8	Very high	97 Å²	97	62.2 Å²	62.2	42%	0.422	32%	0.32	S	S	.	.	H	α-helix	trans	-67.2	-30.3	174.6	-70.1	154.8	-177.9	150	0	112.4	S671 R677 T744 D745	S671-K673 PolarHBondContact O-N 3.26Å; S671-K673 VanDerWaalsContact O-N 3.1Å; S671-K673 PolarHBondContact OG-N 3.13Å; K673-R677 VanDerWaalsContact O-CG 3.32Å; K673-R677 WeakPolarHBondContact O-CG 3.47Å; K673-R677 PolarHBondContact O-N 2.97Å; K673-T744 VanDerWaalsContact CE-O 3.31Å; K673-T744 WeakPolarHBondContact CE-O 3.31Å; K673-D745 IonicContact NZ-OD1 3.51Å; K673-D745 PolarHBondContact NZ-OD1 3.13Å
674	T	95	Very high	92.6	Very high	37 Å²	37	63.3 Å²	63.3	23%	0.227	33%	0.328	C	S	.	.	H	α-helix	trans	-75.8	-40.4	171.3	-52.9	0	0	0	0	111	Y663 H668 S671 L672 Y676 R677 N678	Y663-T674 HydrophobicContact CE2-CG2 3.95Å; H668-T674 HydrophobicContact CB-CG2 4.39Å; S671-T674 WeakPolarHBondContact O-CA 3.32Å; S671-T674 WeakPolarHBondContact O-CB 3.29Å; S671-T674 PolarHBondContact O-N 3.21Å; L672-T674 VanDerWaalsContact C-N 3.32Å; L672-T674 PolarHBondContact O-N 3.35Å; T674-Y676 PolarHBondContact O-N 3.01Å; T674-R677 PolarHBondContact O-N 3.25Å; T674-R677 VanDerWaalsContact O-N 3.08Å; T674-N678 PolarHBondContact O-N 3.28Å
675	L	95.1	Very high	92.5	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-55.3	-49.4	174.6	-178.8	152.5	0	0	0	111.5	Y663 S671 L672 R677 N678 L679 F706 L764 L791 V793	Y663-L675 HydrophobicContact CD1-CB 4.25Å; Y663-L675 HydrophobicContact CD1-CD1 3.91Å; Y663-L675 HydrophobicContact CD1-CG 4.23Å; Y663-L675 HydrophobicContact CD2-CB 3.98Å; Y663-L675 HydrophobicContact CD2-CG 4.44Å; Y663-L675 HydrophobicContact CE1-CB 4.12Å; Y663-L675 HydrophobicContact CE1-CD1 4.11Å; Y663-L675 HydrophobicContact CE1-CG 4.5Å; Y663-L675 VanDerWaalsContact CE2-CA 3.42Å; Y663-L675 HydrophobicContact CE2-CB 3.8Å; Y663-L675 VanDerWaalsContact CE2-N 3.3Å; Y663-L675 HydrophobicContact CG-CB 4.17Å; Y663-L675 HydrophobicContact CG-CD1 4.34Å; Y663-L675 HydrophobicContact CG-CG 4.18Å; S671-L675 PolarHBondContact O-N 2.85Å; S671-L675 VanDerWaalsContact O-N 3.16Å; L672-L675 HydrophobicContact CD1-CD2 4.08Å; L672-L675 WeakPolarHBondContact O-CB 3.47Å; L672-L675 PolarHBondContact O-N 3.02Å; L675-R677 VanDerWaalsContact C-N 3.33Å; L675-R677 PolarHBondContact O-N 2.83Å; L675-N678 PolarHBondContact O-N 2.87Å; L675-L679 HydrophobicContact CD2-CD1 3.64Å; L675-L679 HydrophobicContact CG-CD1 4.16Å; L675-L679 WeakPolarHBondContact O-CD1 3.29Å; L675-L679 WeakPolarHBondContact O-CG 3.29Å; L675-L679 PolarHBondContact O-N 2.72Å; L675-F706 HydrophobicContact CD2-CB 3.97Å; L675-F706 HydrophobicContact CD2-CD2 4.26Å; L675-F706 HydrophobicContact CD2-CG 4.5Å; L675-L764 HydrophobicContact CB-CD1 4.31Å; L675-L764 HydrophobicContact CD1-CD1 3.88Å; L675-L791 HydrophobicContact CD1-CD2 3.97Å; L675-V793 HydrophobicContact CD1-CG2 3.85Å; L675-V793 HydrophobicContact CG-CG2 4.36Å
676	Y	95.4	Very high	92.6	Very high	17 Å²	17	63.4 Å²	63.4	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-40.6	174.8	-66.1	-45	0	0	0	112.6	L672 T674 L679 L680 F706 V708 G742 N743	L672-Y676 HydrophobicContact CD1-CE1 4.24Å; L672-Y676 HydrophobicContact CD1-CE2 4.06Å; L672-Y676 HydrophobicContact CD2-CE2 3.92Å; L672-Y676 HydrophobicContact CG-CD2 4.18Å; L672-Y676 HydrophobicContact CG-CE2 3.58Å; L672-Y676 VanDerWaalsContact O-CD2 3.27Å; L672-Y676 WeakPolarHBondContact O-CD2 3.46Å; L672-Y676 PolarHBondContact O-N 3.28Å; T674-Y676 PolarHBondContact O-N 3.01Å; Y676-L679 PolarHBondContact O-N 2.94Å; Y676-L679 VanDerWaalsContact O-N 3.16Å; Y676-L680 WeakPolarHBondContact O-CG 3.17Å; Y676-L680 PolarHBondContact O-N 3.46Å; Y676-F706 HydrophobicContact CD1-CB 4.3Å; Y676-F706 WeakPolarHBondContact CD1-O 3.25Å; Y676-F706 HydrophobicContact CE1-CB 4.17Å; Y676-V708 HydrophobicContact CD2-CG2 3.65Å; Y676-V708 HydrophobicContact CE2-CG2 3.42Å; Y676-V708 VanDerWaalsContact CE2-CG2 3.42Å; Y676-V708 HydrophobicContact CG-CG2 4.3Å; Y676-G742 WeakPolarHBondContact OH-CA 3.48Å; Y676-N743 VanDerWaalsContact CE2-O 3.23Å; Y676-N743 WeakPolarHBondContact CE2-O 3.47Å; Y676-N743 PolarHBondContact OH-N 3.25Å; Y676-N743 PolarHBondContact OH-O 2.74Å
677	R	94.3	Very high	92.8	Very high	167 Å²	167	58 Å²	58	63%	0.63	30%	0.303	S	S	*	.	H	α-helix	trans	-64.2	-39.6	-179.5	-78.8	179.3	65.9	-114.2	-8.2	113	K673 T674 L675 L679	K673-R677 VanDerWaalsContact O-CG 3.32Å; K673-R677 WeakPolarHBondContact O-CG 3.47Å; K673-R677 PolarHBondContact O-N 2.97Å; T674-R677 PolarHBondContact O-N 3.25Å; T674-R677 VanDerWaalsContact O-N 3.08Å; L675-R677 VanDerWaalsContact C-N 3.33Å; L675-R677 PolarHBondContact O-N 2.83Å; R677-L679 PolarHBondContact O-N 3.4Å
678	N	93	Very high	93	Very high	48 Å²	48	53 Å²	53	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-68.3	-23.4	175.7	-77.6	24.4	0	0	0	112.7	V662 Y663 H668 T674 L675	V662-N678 HydrophobicContact CG1-CB 4.04Å; V662-N678 WeakPolarHBondContact CG1-O 3.44Å; V662-N678 PolarHBondContact O-ND2 3.01Å; Y663-N678 HydrophobicContact CD2-CB 4.4Å; H668-N678 PolarHBondContact CD2-ND2 3.49Å; H668-N678 PolarHBondContact NE2-ND2 2.92Å; T674-N678 PolarHBondContact O-N 3.28Å; L675-N678 PolarHBondContact O-N 2.87Å
679	L	93.1	Very high	93.2	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-2.5	-177.9	-74.4	166	0	0	0	114.5	V662 L675 Y676 R677 D681 V682 V686 P705 F706 V793	V662-L679 HydrophobicContact CB-CD2 4.39Å; V662-L679 HydrophobicContact CG1-CD2 3.78Å; V662-L679 HydrophobicContact CG1-CG 4.12Å; L675-L679 HydrophobicContact CD2-CD1 3.64Å; L675-L679 HydrophobicContact CG-CD1 4.16Å; L675-L679 WeakPolarHBondContact O-CD1 3.29Å; L675-L679 WeakPolarHBondContact O-CG 3.29Å; L675-L679 PolarHBondContact O-N 2.72Å; Y676-L679 PolarHBondContact O-N 2.94Å; Y676-L679 VanDerWaalsContact O-N 3.16Å; R677-L679 PolarHBondContact O-N 3.4Å; L679-D681 VanDerWaalsContact C-N 3.32Å; L679-D681 PolarHBondContact O-N 2.94Å; L679-V682 HydrophobicContact CD2-CB 4.42Å; L679-V682 PolarHBondContact O-N 3.27Å; L679-V686 HydrophobicContact CD2-CG1 3.81Å; L679-P705 HydrophobicContact CB-CB 4.31Å; L679-P705 HydrophobicContact CD2-CB 4.29Å; L679-F706 HydrophobicContact CD1-CB 3.82Å; L679-F706 HydrophobicContact CD1-CD2 3.86Å; L679-F706 HydrophobicContact CD1-CG 4.33Å; L679-V793 HydrophobicContact CD1-CG1 4.35Å; L679-V793 HydrophobicContact CD2-CG1 4.36Å
680	L	89.4	Confident	93.3	Very high	131 Å²	131	47.9 Å²	47.9	69%	0.686	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-36.2	179.6	-72.8	176.5	0	0	0	113.3	Y676	Y676-L680 WeakPolarHBondContact O-CG 3.17Å; Y676-L680 PolarHBondContact O-N 3.46Å
681	D	85.4	Confident	93.3	Very high	161 Å²	161	45.9 Å²	45.9	86%	0.861	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	8	-174.7	-60.7	-45.4	0	0	0	113.1	L679	L679-D681 VanDerWaalsContact C-N 3.32Å; L679-D681 PolarHBondContact O-N 2.94Å
682	V	88.4	Confident	93.2	Very high	14 Å²	14	44 Å²	44	9%	0.085	22%	0.22	C	C	.	.			trans	-105.2	109.2	-175.8	178.6	0	0	0	0	110.8	V662 L679 V686 P705 T795	V662-V682 HydrophobicContact CG1-CG2 4.1Å; V662-V682 HydrophobicContact CG2-CG2 4.3Å; L679-V682 HydrophobicContact CD2-CB 4.42Å; L679-V682 PolarHBondContact O-N 3.27Å; V682-V686 HydrophobicContact CG1-CG1 4.48Å; V682-P705 VanDerWaalsContact O-CG 3.27Å; V682-P705 WeakPolarHBondContact O-CG 3.5Å; V682-T795 HydrophobicContact CG1-CG2 4.46Å; V682-T795 WeakPolarHBondContact CG1-OG1 3.37Å
683	D	87.4	Confident	93	Very high	169 Å²	169	48 Å²	48	90%	0.904	24%	0.243	S	C	*	.			trans	-101.5	44.6	176.8	-161.7	30.3	0	0	0	112.2
684	S	90.3	Very high	92.7	Very high	23 Å²	23	46.9 Å²	46.9	16%	0.161	24%	0.242	C	C	.	.	S	Bend	trans	-134.5	150.7	-179.3	-175.2	0	0	0	0	110	T795 F796	S684-T795 WeakPolarHBondContact CB-OG1 3.27Å; S684-F796 PolarHBondContact OG-O 2.92Å
685	P	93.3	Very high	92.4	Very high	17 Å²	17	50.6 Å²	50.6	11%	0.11	26%	0.257	C	S	.	.			trans	-55.1	154.1	169.2	23.6	-36.7	0	0	0	112.4	V654 F701 S702 F796	V654-P685 HydrophobicContact CG1-CG 3.49Å; V654-P685 VanDerWaalsContact CG1-CG 3.49Å; P685-F701 HydrophobicContact CB-CE2 3.89Å; P685-F701 HydrophobicContact CB-CZ 3.61Å; P685-F701 HydrophobicContact CG-CZ 4.26Å; P685-S702 CarbonylContact C-O 3.53Å; P685-S702 WeakPolarHBondContact CA-O 3.09Å; P685-S702 WeakPolarHBondContact CB-O 3.44Å; P685-F796 HydrophobicContact CG-CD2 4.22Å; P685-F796 VanDerWaalsContact O-CD2 3.31Å; P685-F796 WeakPolarHBondContact O-CD2 3.47Å
686	V	95.4	Very high	92.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.3	-174	-61.1	0	0	0	0	112.7	L679 V682 S702 F706 V793 W794	L679-V686 HydrophobicContact CD2-CG1 3.81Å; V682-V686 HydrophobicContact CG1-CG1 4.48Å; V686-S702 PolarHBondContact N-O 2.97Å; V686-S702 PolarHBondContact O-N 2.94Å; V686-F706 HydrophobicContact CG2-CD2 3.91Å; V686-F706 HydrophobicContact CG2-CE2 3.62Å; V686-F706 HydrophobicContact CG2-CZ 4.01Å; V686-V793 HydrophobicContact CB-CG1 3.9Å; V686-V793 HydrophobicContact CG1-CG1 4.42Å; V686-V793 HydrophobicContact CG2-CG1 4.32Å; V686-W794 CarbonylContact C-O 3.41Å; V686-W794 WeakPolarHBondContact CA-O 3.44Å; V686-W794 WeakPolarHBondContact CB-O 3.42Å
687	L	95.6	Very high	92.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.5	176.2	178.8	70.5	0	0	0	109.2	L646 L650 W659 V689 F701 Y721 V793 W794 F796	L646-L687 HydrophobicContact CD1-CD2 4.4Å; L646-L687 HydrophobicContact CD2-CD1 4.5Å; L650-L687 HydrophobicContact CD2-CD1 4.44Å; W659-L687 HydrophobicContact CE3-CD2 4.25Å; W659-L687 HydrophobicContact CH2-CD2 3.66Å; W659-L687 HydrophobicContact CZ3-CD2 3.49Å; W659-L687 VanDerWaalsContact CZ3-CD2 3.49Å; L687-V689 HydrophobicContact CG-CG2 4.4Å; L687-F701 HydrophobicContact CD1-CB 4.17Å; L687-Y721 HydrophobicContact CD1-CD1 4.45Å; L687-Y721 HydrophobicContact CD1-CE1 3.63Å; L687-V793 WeakPolarHBondContact O-CA 3.39Å; L687-W794 HydrophobicContact CB-CB 4.28Å; L687-W794 PolarHBondContact N-O 2.97Å; L687-W794 PolarHBondContact O-N 3.48Å; L687-F796 HydrophobicContact CB-CE2 4.23Å; L687-F796 HydrophobicContact CB-CZ 3.91Å; L687-F796 HydrophobicContact CD2-CZ 4.47Å
688	L	96.4	Very high	92.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.9	172.4	174.1	64.3	0	0	0	109.2	V690 G699 A700 F706 Y721 L758 L760 L791 V793	L688-V690 HydrophobicContact CD1-CG2 4.2Å; L688-V690 HydrophobicContact CD2-CG2 4.43Å; L688-V690 HydrophobicContact CG-CG2 4.07Å; L688-G699 VanDerWaalsContact O-CA 3.31Å; L688-G699 WeakPolarHBondContact O-CA 3.43Å; L688-A700 HydrophobicContact CB-CB 4.5Å; L688-A700 WeakPolarHBondContact CB-O 3.48Å; L688-A700 PolarHBondContact N-O 2.9Å; L688-A700 PolarHBondContact O-N 2.87Å; L688-F706 HydrophobicContact CB-CE2 3.89Å; L688-F706 HydrophobicContact CB-CZ 3.88Å; L688-F706 HydrophobicContact CD2-CZ 4.23Å; L688-Y721 PolarHBondContact O-OH 3.34Å; L688-L758 HydrophobicContact CD2-CD2 3.98Å; L688-L760 HydrophobicContact CD2-CD1 4.16Å; L688-L791 HydrophobicContact CD1-CD1 3.89Å; L688-L791 HydrophobicContact CD1-CD2 3.86Å; L688-L791 HydrophobicContact CD1-CG 3.76Å; L688-V793 HydrophobicContact CD1-CG2 4Å
689	V	95.8	Very high	92.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.9	173.7	-174.3	0	0	0	0	108.1	L637 L638 L687 I697 L791 E792	L637-V689 HydrophobicContact CB-CG1 4.4Å; L637-V689 HydrophobicContact CD1-CG1 4.44Å; L638-V689 HydrophobicContact CD1-CG2 3.96Å; L638-V689 HydrophobicContact CD2-CG1 3.7Å; L638-V689 HydrophobicContact CD2-CG2 4.27Å; L638-V689 HydrophobicContact CG-CG1 4.09Å; L638-V689 HydrophobicContact CG-CG2 4.24Å; L687-V689 HydrophobicContact CG-CG2 4.4Å; V689-I697 HydrophobicContact CG1-CG2 4.02Å; V689-L791 CarbonylContact O-C 3.57Å; V689-L791 VanDerWaalsContact O-CA 3.31Å; V689-L791 WeakPolarHBondContact O-CA 3.22Å; V689-E792 HydrophobicContact CB-CB 4.27Å; V689-E792 PolarHBondContact N-O 3.43Å; V689-E792 PolarHBondContact O-N 2.99Å
690	V	95.4	Very high	92.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134	177	-174.3	0	0	0	0	108.7	L688 I697 F698 F786 I788 L791	L688-V690 HydrophobicContact CD1-CG2 4.2Å; L688-V690 HydrophobicContact CD2-CG2 4.43Å; L688-V690 HydrophobicContact CG-CG2 4.07Å; V690-I697 WeakPolarHBondContact O-CA 3.46Å; V690-F698 HydrophobicContact CB-CD2 4.16Å; V690-F698 HydrophobicContact CB-CE2 3.95Å; V690-F698 HydrophobicContact CB-CZ 4.46Å; V690-F698 HydrophobicContact CG1-CE2 3.89Å; V690-F698 HydrophobicContact CG1-CZ 4.06Å; V690-F698 PolarHBondContact N-O 2.74Å; V690-F698 PolarHBondContact O-N 3.46Å; V690-F698 VanDerWaalsContact O-O 3.12Å; V690-F786 HydrophobicContact CG1-CE2 4.11Å; V690-I788 HydrophobicContact CG1-CD1 4.46Å; V690-I788 HydrophobicContact CG1-CG1 4.05Å; V690-I788 HydrophobicContact CG1-CG2 4.27Å; V690-L791 HydrophobicContact CG2-CD1 4.17Å; V690-L791 HydrophobicContact CG2-CG 4.33Å
691	K	93.9	Very high	92.7	Very high	34 Å²	34	35.4 Å²	35.4	15%	0.148	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.1	169.8	-166.1	-172.6	-172.5	-155.1	0	109.5	L637 E695 Q696 I697 H789 S790	L637-K691 HydrophobicContact CD1-CB 4.26Å; L637-K691 HydrophobicContact CD2-CB 4.32Å; L637-K691 HydrophobicContact CD2-CD 4.05Å; K691-E695 VanDerWaalsContact CE-CD 3.42Å; K691-E695 WeakPolarHBondContact CE-OE1 3.35Å; K691-E695 VanDerWaalsContact CE-OE2 3.22Å; K691-E695 WeakPolarHBondContact CE-OE2 3.35Å; K691-E695 IonicContact NZ-OE1 3.48Å; K691-E695 PolarHBondContact NZ-OE1 2.81Å; K691-E695 IonicContact NZ-OE2 2.65Å; K691-E695 PolarHBondContact NZ-OE2 2.7Å; K691-Q696 WeakPolarHBondContact CA-O 3.48Å; K691-I697 HydrophobicContact CG-CG1 4.13Å; K691-H789 PolarHBondContact O-N 3.41Å; K691-S790 PolarHBondContact N-O 3.33Å; K691-S790 PolarHBondContact O-N 2.82Å
692	D	93.2	Very high	93.2	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.027	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	161.9	175.8	-177.5	18.1	0	0	0	111.3	D694 E695 Q696 F698 N787	D692-D694 PolarHBondContact O-N 2.89Å; D692-E695 WeakPolarHBondContact O-CA 3.45Å; D692-E695 PolarHBondContact O-N 3.46Å; D692-Q696 PolarHBondContact N-O 3.03Å; D692-F698 HydrophobicContact CB-CE1 3.87Å; D692-F698 HydrophobicContact CB-CZ 4.3Å; D692-N787 WeakPolarHBondContact CA-O 3.44Å; D692-N787 PolarHBondContact OD1-N 3.46Å
693	V	92.2	Very high	93.4	Very high	82 Å²	82	27.6 Å²	27.6	50%	0.497	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-27.8	172.4	172.7	0	0	0	0	111.8	E695 N787 H789	V693-E695 PolarHBondContact O-N 2.87Å; V693-N787 HydrophobicContact CG2-CB 3.97Å; V693-N787 PolarHBondContact N-O 3.39Å; V693-H789 HydrophobicContact CG2-CB 4.26Å
694	D	89.6	Confident	93.7	Very high	74 Å²	74	22.6 Å²	22.6	40%	0.396	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	24.5	168.9	-74.8	-13.8	0	0	0	112.3	D692 Q696 R783	D692-D694 PolarHBondContact O-N 2.89Å; D694-Q696 PolarHBondContact O-N 3.43Å; D694-Q696 PolarHBondContact O-NE2 2.98Å; D694-R783 IonicContact OD2-NE 2.59Å; D694-R783 IonicContact OD2-NH2 3.96Å
695	E	88.5	Confident	93.9	Very high	116 Å²	116	22.1 Å²	22.1	54%	0.542	12%	0.115	S	C	.	.	S	Bend	trans	55.2	6.8	178.9	-72.3	-74.4	112.4	0	0	116.6	K691 D692 V693	K691-E695 VanDerWaalsContact CE-CD 3.42Å; K691-E695 WeakPolarHBondContact CE-OE1 3.35Å; K691-E695 VanDerWaalsContact CE-OE2 3.22Å; K691-E695 WeakPolarHBondContact CE-OE2 3.35Å; K691-E695 IonicContact NZ-OE1 3.48Å; K691-E695 PolarHBondContact NZ-OE1 2.81Å; K691-E695 IonicContact NZ-OE2 2.65Å; K691-E695 PolarHBondContact NZ-OE2 2.7Å; D692-E695 WeakPolarHBondContact O-CA 3.45Å; D692-E695 PolarHBondContact O-N 3.46Å; V693-E695 PolarHBondContact O-N 2.87Å
696	Q	90.4	Very high	94	Very high	33 Å²	33	21.4 Å²	21.4	15%	0.154	11%	0.11	C	C	.	.			trans	-75.8	138.4	180	-77.1	156.5	72.3	0	0	112	K691 D692 D694 F698	K691-Q696 WeakPolarHBondContact CA-O 3.48Å; D692-Q696 PolarHBondContact N-O 3.03Å; D694-Q696 PolarHBondContact O-N 3.43Å; D694-Q696 PolarHBondContact O-NE2 2.98Å; Q696-F698 HydrophobicContact CB-CD1 4.38Å; Q696-F698 HydrophobicContact CB-CE1 4.47Å
697	I	92.9	Very high	93.9	Very high	14 Å²	14	26.8 Å²	26.8	7%	0.072	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.9	177	-60.7	168	0	0	0	109.3	L637 L638 V689 V690 K691 F723	L637-I697 VanDerWaalsContact O-CD1 3.28Å; L637-I697 WeakPolarHBondContact O-CD1 3.21Å; L638-I697 HydrophobicContact CD2-CG2 4.19Å; V689-I697 HydrophobicContact CG1-CG2 4.02Å; V690-I697 WeakPolarHBondContact O-CA 3.46Å; K691-I697 HydrophobicContact CG-CG1 4.13Å; I697-F723 HydrophobicContact CB-CD2 4.12Å; I697-F723 HydrophobicContact CG2-CD2 3.87Å; I697-F723 HydrophobicContact CG2-CE2 4.16Å; I697-F723 WeakPolarHBondContact O-CB 3.48Å; I697-F723 WeakPolarHBondContact O-CD2 3.2Å; I697-F723 PolarHBondContact O-N 2.94Å
698	F	95.1	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-177	175.5	52.4	-92.2	0	0	0	109.5	V690 D692 Q696 Y721 L758 L780 F786	V690-F698 HydrophobicContact CB-CD2 4.16Å; V690-F698 HydrophobicContact CB-CE2 3.95Å; V690-F698 HydrophobicContact CB-CZ 4.46Å; V690-F698 HydrophobicContact CG1-CE2 3.89Å; V690-F698 HydrophobicContact CG1-CZ 4.06Å; V690-F698 PolarHBondContact N-O 2.74Å; V690-F698 PolarHBondContact O-N 3.46Å; V690-F698 VanDerWaalsContact O-O 3.12Å; D692-F698 HydrophobicContact CB-CE1 3.87Å; D692-F698 HydrophobicContact CB-CZ 4.3Å; Q696-F698 HydrophobicContact CB-CD1 4.38Å; Q696-F698 HydrophobicContact CB-CE1 4.47Å; F698-Y721 WeakPolarHBondContact CA-O 3.42Å; F698-Y721 VanDerWaalsContact CB-O 3.27Å; F698-Y721 WeakPolarHBondContact CB-O 3.01Å; F698-L758 HydrophobicContact CD2-CD1 4.43Å; F698-L758 HydrophobicContact CE2-CD1 4.07Å; F698-L780 HydrophobicContact CB-CB 3.94Å; F698-L780 HydrophobicContact CD2-CB 3.88Å; F698-L780 HydrophobicContact CD2-CD1 4.24Å; F698-L780 HydrophobicContact CG-CB 3.9Å; F698-F786 HydrophobicContact CE2-CD1 4.45Å; F698-F786 HydrophobicContact CE2-CD2 4.4Å; F698-F786 AromaticContact CE2-CE1 3.91Å; F698-F786 HydrophobicContact CE2-CE1 3.91Å; F698-F786 AromaticContact CE2-CE2 3.87Å; F698-F786 HydrophobicContact CE2-CE2 3.87Å; F698-F786 AromaticContact CE2-CZ 3.6Å; F698-F786 HydrophobicContact CE2-CZ 3.6Å; F698-F786 HydrophobicContact CZ-CD1 4.03Å; F698-F786 AromaticContact CZ-CD2 3.76Å; F698-F786 HydrophobicContact CZ-CD2 3.76Å; F698-F786 AromaticContact CZ-CE1 3.95Å; F698-F786 HydrophobicContact CZ-CE1 3.95Å; F698-F786 AromaticContact CZ-CE2 3.69Å; F698-F786 HydrophobicContact CZ-CE2 3.69Å; F698-F786 AromaticContact CZ-CG 3.94Å; F698-F786 HydrophobicContact CZ-CG 3.94Å; F698-F786 AromaticContact CZ-CZ 3.79Å; F698-F786 HydrophobicContact CZ-CZ 3.79Å
699	G	95.3	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-151.6	178.4	0	0	0	0	0	113.5	L688 Y721	L688-G699 VanDerWaalsContact O-CA 3.31Å; L688-G699 WeakPolarHBondContact O-CA 3.43Å; G699-Y721 PolarHBondContact N-O 3.44Å; G699-Y721 PolarHBondContact O-N 3.29Å
700	A	96.2	Very high	93.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	142.4	-173.3	0	0	0	0	0	113.2	L688 F719 L720 Y721 M749	L688-A700 HydrophobicContact CB-CB 4.5Å; L688-A700 WeakPolarHBondContact CB-O 3.48Å; L688-A700 PolarHBondContact N-O 2.9Å; L688-A700 PolarHBondContact O-N 2.87Å; A700-F719 CarbonylContact C-O 3.53Å; A700-F719 VanDerWaalsContact CA-O 3.29Å; A700-F719 WeakPolarHBondContact CA-O 3.36Å; A700-L720 HydrophobicContact CB-CD2 3.59Å; A700-Y721 VanDerWaalsContact N-CE1 3.29Å; A700-M749 HydrophobicContact CB-CE 3.41Å; A700-M749 VanDerWaalsContact CB-CE 3.41Å; A700-M749 HydrophobicContact CB-SD 3.46Å; A700-M749 WeakPolarHBondContact CB-SD 3.22Å
701	F	95.9	Very high	93.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.3	164.4	174.7	-95.6	0	0	0	108.9	L650 P651 V654 P685 L687 T703 E717 T718 F719 F796	L650-F701 HydrophobicContact CD2-CB 4.49Å; L650-F701 HydrophobicContact CD2-CD2 3.38Å; L650-F701 HydrophobicContact CD2-CE2 3.8Å; L650-F701 HydrophobicContact CD2-CG 4.1Å; P651-F701 HydrophobicContact CG-CD1 4.2Å; P651-F701 HydrophobicContact CG-CE1 3.51Å; P651-F701 HydrophobicContact CG-CZ 3.7Å; V654-F701 HydrophobicContact CG2-CE2 4.23Å; V654-F701 HydrophobicContact CG2-CZ 4.47Å; P685-F701 HydrophobicContact CB-CE2 3.89Å; P685-F701 HydrophobicContact CB-CZ 3.61Å; P685-F701 HydrophobicContact CG-CZ 4.26Å; L687-F701 HydrophobicContact CD1-CB 4.17Å; F701-T703 HydrophobicContact CE1-CG2 3.95Å; F701-E717 WeakPolarHBondContact CD1-O 3.28Å; F701-T718 VanDerWaalsContact O-CA 3.27Å; F701-T718 WeakPolarHBondContact O-CA 3.39Å; F701-T718 VanDerWaalsContact O-CG2 3.3Å; F701-T718 WeakPolarHBondContact O-CG2 3.41Å; F701-F719 HydrophobicContact CB-CD1 3.87Å; F701-F719 HydrophobicContact CB-CD2 3.97Å; F701-F719 HydrophobicContact CB-CE1 3.55Å; F701-F719 HydrophobicContact CB-CE2 3.67Å; F701-F719 HydrophobicContact CB-CG 4.08Å; F701-F719 HydrophobicContact CB-CZ 3.46Å; F701-F719 VanDerWaalsContact CB-CZ 3.46Å; F701-F719 AromaticContact CD1-CD1 3.98Å; F701-F719 HydrophobicContact CD1-CD1 3.98Å; F701-F719 AromaticContact CD1-CE1 3.82Å; F701-F719 HydrophobicContact CD1-CE1 3.82Å; F701-F719 HydrophobicContact CG-CD1 4.25Å; F701-F719 AromaticContact CG-CE1 3.79Å; F701-F719 HydrophobicContact CG-CE1 3.79Å; F701-F719 HydrophobicContact CG-CZ 4.05Å; F701-F719 PolarHBondContact N-O 2.93Å; F701-F719 PolarHBondContact O-N 3.19Å; F701-F796 HydrophobicContact CD2-CE2 4.17Å; F701-F796 HydrophobicContact CE2-CD2 4.44Å; F701-F796 AromaticContact CE2-CE2 3.72Å; F701-F796 HydrophobicContact CE2-CE2 3.72Å; F701-F796 HydrophobicContact CE2-CZ 4.33Å
702	S	95.3	Very high	93.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	133.1	174	179.8	0	0	0	0	110.9	P685 V686 H704	P685-S702 CarbonylContact C-O 3.53Å; P685-S702 WeakPolarHBondContact CA-O 3.09Å; P685-S702 WeakPolarHBondContact CB-O 3.44Å; V686-S702 PolarHBondContact N-O 2.97Å; V686-S702 PolarHBondContact O-N 2.94Å; S702-H704 WeakPolarHBondContact CB-O 3.48Å; S702-H704 PolarHBondContact O-N 3.46Å; S702-H704 PolarHBondContact OG-N 2.99Å; S702-H704 PolarHBondContact OG-O 3.19Å
703	T	93.6	Very high	93.4	Very high	11 Å²	11	48.7 Å²	48.7	7%	0.067	24%	0.238	C	C	.	.	S	Bend	trans	-71.9	-10.5	179.2	47	0	0	0	0	114.5	F701 G714 T715 E717 T718	F701-T703 HydrophobicContact CE1-CG2 3.95Å; T703-G714 WeakPolarHBondContact OG1-CA 3.14Å; T703-T715 WeakPolarHBondContact CG2-OG1 3.31Å; T703-T715 PolarHBondContact OG1-N 2.96Å; T703-E717 HydrophobicContact CG2-CB 3.6Å; T703-T718 WeakPolarHBondContact CG2-OG1 3.45Å; T703-T718 PolarHBondContact N-OG1 2.94Å; T703-T718 PolarHBondContact OG1-OG1 3.32Å
704	H	93.2	Very high	93.4	Very high	64 Å²	64	45.8 Å²	45.8	30%	0.296	23%	0.225	S	C	.	.	S	Bend	trans	-138.9	152.2	179.4	-69.7	72.9	0	0	0	109.3	S702 Y713	S702-H704 WeakPolarHBondContact CB-O 3.48Å; S702-H704 PolarHBondContact O-N 3.46Å; S702-H704 PolarHBondContact OG-N 2.99Å; S702-H704 PolarHBondContact OG-O 3.19Å; H704-Y713 HydrophobicContact CB-CD2 4.04Å; H704-Y713 HydrophobicContact CB-CE2 4.11Å
705	P	94.6	Very high	93.5	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.091	22%	0.221	C	C	.	.			trans	-56.8	147.1	172.2	28.8	-40.4	0	0	0	111.5	L679 V682 R707	L679-P705 HydrophobicContact CB-CB 4.31Å; L679-P705 HydrophobicContact CD2-CB 4.29Å; V682-P705 VanDerWaalsContact O-CG 3.27Å; V682-P705 WeakPolarHBondContact O-CG 3.5Å; P705-R707 PolarHBondContact O-N 2.86Å
706	F	95.4	Very high	93.6	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	21%	0.207	C	C	.	.			trans	-69.4	129.7	176.3	-58.5	-62	0	0	0	111	L675 Y676 L679 V686 L688 Y713 V740 L747 M749 V793	L675-F706 HydrophobicContact CD2-CB 3.97Å; L675-F706 HydrophobicContact CD2-CD2 4.26Å; L675-F706 HydrophobicContact CD2-CG 4.5Å; Y676-F706 HydrophobicContact CD1-CB 4.3Å; Y676-F706 WeakPolarHBondContact CD1-O 3.25Å; Y676-F706 HydrophobicContact CE1-CB 4.17Å; L679-F706 HydrophobicContact CD1-CB 3.82Å; L679-F706 HydrophobicContact CD1-CD2 3.86Å; L679-F706 HydrophobicContact CD1-CG 4.33Å; V686-F706 HydrophobicContact CG2-CD2 3.91Å; V686-F706 HydrophobicContact CG2-CE2 3.62Å; V686-F706 HydrophobicContact CG2-CZ 4.01Å; L688-F706 HydrophobicContact CB-CE2 3.89Å; L688-F706 HydrophobicContact CB-CZ 3.88Å; L688-F706 HydrophobicContact CD2-CZ 4.23Å; F706-Y713 WeakPolarHBondContact CA-OH 3.37Å; F706-V740 HydrophobicContact CD1-CG1 3.95Å; F706-V740 HydrophobicContact CE1-CG1 4.09Å; F706-L747 HydrophobicContact CB-CD1 4.42Å; F706-L747 HydrophobicContact CB-CD2 4.43Å; F706-L747 HydrophobicContact CD1-CD1 3.86Å; F706-L747 HydrophobicContact CD1-CD2 3.94Å; F706-L747 HydrophobicContact CD1-CG 4.46Å; F706-L747 HydrophobicContact CD2-CD2 4.27Å; F706-L747 HydrophobicContact CE1-CD2 4.25Å; F706-L747 HydrophobicContact CG-CD1 4.33Å; F706-L747 HydrophobicContact CG-CD2 3.95Å; F706-M749 HydrophobicContact CE1-SD 3.69Å; F706-M749 HydrophobicContact CZ-SD 4.02Å; F706-V793 HydrophobicContact CD2-CG1 4.34Å; F706-V793 HydrophobicContact CE2-CG1 4.18Å
707	R	94.1	Very high	93.7	Very high	112 Å²	112	41.9 Å²	41.9	42%	0.423	21%	0.214	S	C	.	.			trans	-148.4	156.1	-179.2	61.3	-173.8	177.4	-151.8	-1.9	111.2	P705 Y713 G742	P705-R707 PolarHBondContact O-N 2.86Å; R707-Y713 HydrophobicContact CG-CE1 4.09Å; R707-Y713 HydrophobicContact CG-CE2 4.13Å; R707-Y713 PolarHBondContact N-OH 3.07Å; R707-Y713 PolarHBondContact O-OH 3.36Å; R707-Y713 VanDerWaalsContact O-OH 3.12Å; R707-G742 WeakPolarHBondContact O-CA 3.25Å
708	V	95.4	Very high	93.8	Very high	80 Å²	80	41.2 Å²	41.2	49%	0.485	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-67.4	135.2	170.9	-178.1	0	0	0	0	110	Y676 G742	Y676-V708 HydrophobicContact CD2-CG2 3.65Å; Y676-V708 HydrophobicContact CE2-CG2 3.42Å; Y676-V708 VanDerWaalsContact CE2-CG2 3.42Å; Y676-V708 HydrophobicContact CG-CG2 4.3Å; V708-G742 CarbonylContact C-O 3.19Å; V708-G742 WeakPolarHBondContact CA-O 3.3Å
709	S	93.6	Very high	93.8	Very high	20 Å²	20	41.2 Å²	41.2	14%	0.14	21%	0.211	C	C	.	.			trans	-158.6	123.9	-169.1	62.2	0	0	0	0	111.8	H711 Y713 G742	S709-H711 WeakPolarHBondContact CB-O 3.35Å; S709-H711 PolarHBondContact O-N 2.97Å; S709-H711 PolarHBondContact OG-O 2.95Å; S709-Y713 WeakPolarHBondContact OG-CD1 3.3Å; S709-Y713 WeakPolarHBondContact OG-CE1 3.48Å; S709-G742 PolarHBondContact N-O 2.95Å; S709-G742 PolarHBondContact OG-N 2.87Å; S709-G742 VanDerWaalsContact OG-N 3.1Å; S709-G742 PolarHBondContact OG-O 2.65Å
710	E	90.4	Very high	93.8	Very high	162 Å²	162	41.2 Å²	41.2	76%	0.757	21%	0.211	S	C	*	.	S	Bend	trans	-64.3	-33.5	172.3	-63.5	179	157.2	0	0	112.3	K741	E710-K741 WeakPolarHBondContact O-CE 3.49Å; E710-K741 PolarHBondContact O-NZ 3.08Å
711	H	91.6	Very high	93.8	Very high	142 Å²	142	41.2 Å²	41.2	66%	0.657	21%	0.211	S	C	*	.	S	Bend	trans	-110.2	153.7	-174.8	-60.8	79.4	0	0	0	110.9	S709	S709-H711 WeakPolarHBondContact CB-O 3.35Å; S709-H711 PolarHBondContact O-N 2.97Å; S709-H711 PolarHBondContact OG-O 2.95Å
712	F	93.2	Very high	93.7	Very high	72 Å²	72	41.4 Å²	41.4	32%	0.316	21%	0.212	S	C	.	.			trans	-66.4	144.7	173.6	-69.2	-89.8	0	0	0	111.6	Y738 V740 K741	F712-Y738 HydrophobicContact CB-CD1 4.27Å; F712-Y738 AromaticContact CD2-CD1 3.45Å; F712-Y738 HydrophobicContact CD2-CD1 3.45Å; F712-Y738 VanDerWaalsContact CD2-CD1 3.45Å; F712-Y738 HydrophobicContact CD2-CE1 4.18Å; F712-Y738 HydrophobicContact CD2-CG 4.11Å; F712-Y738 AromaticContact CE2-CD1 3.84Å; F712-Y738 HydrophobicContact CE2-CD1 3.84Å; F712-Y738 HydrophobicContact CE2-CE1 4.5Å; F712-Y738 HydrophobicContact CE2-CG 4.16Å; F712-Y738 AromaticContact CG-CD1 3.84Å; F712-Y738 HydrophobicContact CG-CD1 3.84Å; F712-Y738 HydrophobicContact CG-CG 4.33Å; F712-Y738 HydrophobicContact CZ-CG 4.43Å; F712-V740 CarbonylContact C-O 3.54Å; F712-V740 VanDerWaalsContact CA-O 3.23Å; F712-V740 WeakPolarHBondContact CA-O 3.31Å; F712-K741 HydrophobicContact CD1-CB 3.62Å; F712-K741 HydrophobicContact CE1-CB 3.63Å; F712-K741 HydrophobicContact CE1-CD 4.44Å; F712-K741 HydrophobicContact CE2-CD 4.31Å; F712-K741 HydrophobicContact CG-CB 4.23Å; F712-K741 HydrophobicContact CZ-CB 4.27Å; F712-K741 HydrophobicContact CZ-CD 4.23Å
713	Y	94.5	Very high	93.3	Very high	24 Å²	24	42.5 Å²	42.5	9%	0.094	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-139.9	165.1	177.7	65.8	-84.1	0	0	0	111.8	H704 F706 R707 S709 F739 V740	H704-Y713 HydrophobicContact CB-CD2 4.04Å; H704-Y713 HydrophobicContact CB-CE2 4.11Å; F706-Y713 WeakPolarHBondContact CA-OH 3.37Å; R707-Y713 HydrophobicContact CG-CE1 4.09Å; R707-Y713 HydrophobicContact CG-CE2 4.13Å; R707-Y713 PolarHBondContact N-OH 3.07Å; R707-Y713 PolarHBondContact O-OH 3.36Å; R707-Y713 VanDerWaalsContact O-OH 3.12Å; S709-Y713 WeakPolarHBondContact OG-CD1 3.3Å; S709-Y713 WeakPolarHBondContact OG-CE1 3.48Å; Y713-F739 WeakPolarHBondContact O-CB 3.47Å; Y713-V740 WeakPolarHBondContact CD1-O 3.38Å; Y713-V740 HydrophobicContact CD2-CB 4.42Å; Y713-V740 HydrophobicContact CE1-CB 4.25Å; Y713-V740 HydrophobicContact CE1-CG1 4.04Å; Y713-V740 HydrophobicContact CE2-CB 4.11Å; Y713-V740 HydrophobicContact CE2-CG1 4.04Å; Y713-V740 PolarHBondContact N-O 3.27Å; Y713-V740 WeakPolarHBondContact O-CB 3.45Å; Y713-V740 PolarHBondContact O-N 3.42Å; Y713-V740 VanDerWaalsContact O-N 3.08Å; Y713-V740 WeakPolarHBondContact OH-CG1 3.49Å
714	G	92.1	Very high	92.1	Very high	21 Å²	21	44.2 Å²	44.2	22%	0.216	23%	0.229	C	C	.	.			trans	121.4	179.2	-174.6	0	0	0	0	0	112.2	T703	T703-G714 WeakPolarHBondContact OG1-CA 3.14Å
715	T	92.4	Very high	90.7	Very high	52 Å²	52	47.1 Å²	47.1	32%	0.319	25%	0.254	S	S	.	.			trans	-127.9	170.5	171.9	74.9	0	0	0	0	110.5	T703 E717 T718	T703-T715 WeakPolarHBondContact CG2-OG1 3.31Å; T703-T715 PolarHBondContact OG1-N 2.96Å; T715-E717 PolarHBondContact O-N 2.71Å; T715-E717 PolarHBondContact OG1-OE2 2.9Å; T715-T718 VanDerWaalsContact O-CB 3.28Å; T715-T718 WeakPolarHBondContact O-CB 3.34Å; T715-T718 PolarHBondContact O-N 2.88Å; T715-T718 PolarHBondContact O-OG1 2.87Å
716	G	91.1	Very high	89.8	Confident	25 Å²	25	51.8 Å²	51.8	26%	0.258	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-1.3	179.6	0	0	0	0	0	116.7	W732	G716-W732 VanDerWaalsContact CA-CE3 3.5Å; G716-W732 WeakPolarHBondContact O-CB 3.43Å
717	E	92	Very high	89.4	Confident	64 Å²	64	52.9 Å²	52.9	30%	0.299	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.7	169.4	-57.3	163.9	105.3	0	0	112.5	P651 R653 F701 T703 T715 F719	P651-E717 HydrophobicContact CG-CB 4.42Å; R653-E717 IonicContact CZ-OE1 2.7Å; R653-E717 IonicContact CZ-OE2 3.23Å; R653-E717 IonicContact NH1-OE1 3.98Å; R653-E717 PolarHBondContact NH1-OE1 3.25Å; R653-E717 IonicContact NH1-OE2 2.7Å; R653-E717 PolarHBondContact NH1-OE2 2.85Å; R653-E717 IonicContact NH2-OE1 3.41Å; R653-E717 IonicContact NH2-OE2 2.78Å; R653-E717 PolarHBondContact NH2-OE2 3.46Å; F701-E717 WeakPolarHBondContact CD1-O 3.28Å; T703-E717 HydrophobicContact CG2-CB 3.6Å; T715-E717 PolarHBondContact O-N 2.71Å; T715-E717 PolarHBondContact OG1-OE2 2.9Å; E717-F719 WeakPolarHBondContact O-CD1 3.48Å
718	T	94.9	Very high	89.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.			trans	-62.2	137.5	169.1	-64.5	0	0	0	0	109	F701 T703 T715 F739 V740 M749 F775	F701-T718 VanDerWaalsContact O-CA 3.27Å; F701-T718 WeakPolarHBondContact O-CA 3.39Å; F701-T718 VanDerWaalsContact O-CG2 3.3Å; F701-T718 WeakPolarHBondContact O-CG2 3.41Å; T703-T718 WeakPolarHBondContact CG2-OG1 3.45Å; T703-T718 PolarHBondContact N-OG1 2.94Å; T703-T718 PolarHBondContact OG1-OG1 3.32Å; T715-T718 VanDerWaalsContact O-CB 3.28Å; T715-T718 WeakPolarHBondContact O-CB 3.34Å; T715-T718 PolarHBondContact O-N 2.88Å; T715-T718 PolarHBondContact O-OG1 2.87Å; T718-F739 HydrophobicContact CG2-CB 4.21Å; T718-V740 HydrophobicContact CG2-CG2 4.16Å; T718-M749 HydrophobicContact CG2-CE 3.44Å; T718-M749 VanDerWaalsContact CG2-CE 3.44Å; T718-F775 HydrophobicContact CG2-CZ 3.9Å; T718-F775 VanDerWaalsContact O-CE1 3.28Å; T718-F775 WeakPolarHBondContact O-CE1 3.31Å
719	F	95.2	Very high	89.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.2	179.2	63.5	-107.3	0	0	0	112.5	L650 A700 F701 E717 Y721 V729 Y730	L650-F719 HydrophobicContact CD2-CZ 4.24Å; A700-F719 CarbonylContact C-O 3.53Å; A700-F719 VanDerWaalsContact CA-O 3.29Å; A700-F719 WeakPolarHBondContact CA-O 3.36Å; F701-F719 HydrophobicContact CB-CD1 3.87Å; F701-F719 HydrophobicContact CB-CD2 3.97Å; F701-F719 HydrophobicContact CB-CE1 3.55Å; F701-F719 HydrophobicContact CB-CE2 3.67Å; F701-F719 HydrophobicContact CB-CG 4.08Å; F701-F719 HydrophobicContact CB-CZ 3.46Å; F701-F719 VanDerWaalsContact CB-CZ 3.46Å; F701-F719 AromaticContact CD1-CD1 3.98Å; F701-F719 HydrophobicContact CD1-CD1 3.98Å; F701-F719 AromaticContact CD1-CE1 3.82Å; F701-F719 HydrophobicContact CD1-CE1 3.82Å; F701-F719 HydrophobicContact CG-CD1 4.25Å; F701-F719 AromaticContact CG-CE1 3.79Å; F701-F719 HydrophobicContact CG-CE1 3.79Å; F701-F719 HydrophobicContact CG-CZ 4.05Å; F701-F719 PolarHBondContact N-O 2.93Å; F701-F719 PolarHBondContact O-N 3.19Å; E717-F719 WeakPolarHBondContact O-CD1 3.48Å; F719-Y721 HydrophobicContact CD2-CD1 4.48Å; F719-Y721 HydrophobicContact CE2-CD1 4.09Å; F719-V729 HydrophobicContact CB-CG1 4.34Å; F719-V729 HydrophobicContact CD1-CG1 4.46Å; F719-V729 HydrophobicContact CD2-CG1 3.56Å; F719-V729 HydrophobicContact CE2-CG1 3.83Å; F719-V729 HydrophobicContact CG-CG1 3.9Å; F719-V729 HydrophobicContact CZ-CG1 4.39Å; F719-Y730 WeakPolarHBondContact CA-O 3.21Å; F719-Y730 WeakPolarHBondContact CB-O 3.26Å
720	L	95.8	Very high	89.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	155.4	168.3	-58.7	178.4	0	0	0	110.3	A700 Y730 M749 L758 F775 N777 L780	A700-L720 HydrophobicContact CB-CD2 3.59Å; L720-Y730 HydrophobicContact CB-CD2 4.38Å; L720-Y730 PolarHBondContact N-O 2.79Å; L720-Y730 VanDerWaalsContact N-O 3.1Å; L720-Y730 PolarHBondContact O-N 2.81Å; L720-M749 HydrophobicContact CD2-CB 4.11Å; L720-M749 HydrophobicContact CD2-CE 4.31Å; L720-L758 HydrophobicContact CD2-CB 4.16Å; L720-F775 HydrophobicContact CD1-CB 4.49Å; L720-F775 HydrophobicContact CD1-CD2 3.52Å; L720-F775 HydrophobicContact CD1-CE2 4.12Å; L720-F775 HydrophobicContact CD1-CG 4.31Å; L720-F775 HydrophobicContact CD2-CD2 4.46Å; L720-F775 HydrophobicContact CD2-CE2 4.3Å; L720-F775 HydrophobicContact CG-CD2 3.56Å; L720-F775 HydrophobicContact CG-CE2 3.84Å; L720-F775 HydrophobicContact CG-CG 4.23Å; L720-N777 HydrophobicContact CD1-CB 4.41Å; L720-L780 HydrophobicContact CB-CD1 4.18Å; L720-L780 HydrophobicContact CB-CD2 4.3Å; L720-L780 HydrophobicContact CD1-CD1 4.31Å
721	Y	95.1	Very high	89.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	159.7	172.3	71.7	-91.4	0	0	0	112.7	L646 L687 L688 F698 G699 A700 F719 F723 K728	L646-Y721 HydrophobicContact CD1-CE2 4.32Å; L646-Y721 HydrophobicContact CD2-CD1 4.04Å; L646-Y721 HydrophobicContact CD2-CD2 3.99Å; L646-Y721 HydrophobicContact CD2-CE1 3.95Å; L646-Y721 HydrophobicContact CD2-CE2 3.92Å; L646-Y721 HydrophobicContact CD2-CG 4.06Å; L687-Y721 HydrophobicContact CD1-CD1 4.45Å; L687-Y721 HydrophobicContact CD1-CE1 3.63Å; L688-Y721 PolarHBondContact O-OH 3.34Å; F698-Y721 WeakPolarHBondContact CA-O 3.42Å; F698-Y721 VanDerWaalsContact CB-O 3.27Å; F698-Y721 WeakPolarHBondContact CB-O 3.01Å; G699-Y721 PolarHBondContact N-O 3.44Å; G699-Y721 PolarHBondContact O-N 3.29Å; A700-Y721 VanDerWaalsContact N-CE1 3.29Å; F719-Y721 HydrophobicContact CD2-CD1 4.48Å; F719-Y721 HydrophobicContact CE2-CD1 4.09Å; Y721-F723 HydrophobicContact CD2-CD2 4.23Å; Y721-F723 HydrophobicContact CD2-CE2 4.05Å; Y721-F723 HydrophobicContact CE2-CD2 4.09Å; Y721-F723 AromaticContact CE2-CE2 3.74Å; Y721-F723 HydrophobicContact CE2-CE2 3.74Å; Y721-K728 CarbonylContact C-O 3.59Å; Y721-K728 WeakPolarHBondContact CA-O 3.45Å; Y721-K728 WeakPolarHBondContact CB-O 3.35Å
722	S	93.6	Very high	89.5	Confident	5 Å²	5	45.8 Å²	45.8	4%	0.035	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146	173.4	168.8	0	0	0	0	111	K728 L780	S722-K728 PolarHBondContact N-O 2.82Å; S722-K728 PolarHBondContact O-N 3.5Å; S722-L780 WeakPolarHBondContact CB-O 3.3Å; S722-L780 PolarHBondContact OG-O 3.49Å
723	F	88.4	Confident	89.5	Confident	22 Å²	22	45.2 Å²	45.2	10%	0.096	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	87	174.1	-71.5	-88.4	0	0	0	110.6	H642 K645 L646 I697 Y721 I727	H642-F723 HydrophobicContact CB-CE1 4.13Å; H642-F723 HydrophobicContact CB-CE2 4.27Å; H642-F723 HydrophobicContact CB-CZ 3.7Å; H642-F723 AromaticContact CD2-CD1 3.96Å; H642-F723 AromaticContact CD2-CE1 3.74Å; K645-F723 HydrophobicContact CB-CE1 4.11Å; K645-F723 HydrophobicContact CD-CE1 4.35Å; L646-F723 HydrophobicContact CD1-CE2 3.96Å; L646-F723 HydrophobicContact CD1-CZ 3.92Å; L646-F723 HydrophobicContact CG-CE2 4.23Å; L646-F723 HydrophobicContact CG-CZ 3.88Å; I697-F723 HydrophobicContact CB-CD2 4.12Å; I697-F723 HydrophobicContact CG2-CD2 3.87Å; I697-F723 HydrophobicContact CG2-CE2 4.16Å; I697-F723 WeakPolarHBondContact O-CB 3.48Å; I697-F723 WeakPolarHBondContact O-CD2 3.2Å; I697-F723 PolarHBondContact O-N 2.94Å; Y721-F723 HydrophobicContact CD2-CD2 4.23Å; Y721-F723 HydrophobicContact CD2-CE2 4.05Å; Y721-F723 HydrophobicContact CE2-CD2 4.09Å; Y721-F723 AromaticContact CE2-CE2 3.74Å; Y721-F723 HydrophobicContact CE2-CE2 3.74Å; F723-I727 HydrophobicContact CD1-CB 3.9Å; F723-I727 HydrophobicContact CD1-CG1 4.26Å; F723-I727 HydrophobicContact CE1-CB 3.79Å; F723-I727 HydrophobicContact CE1-CD1 3.92Å; F723-I727 HydrophobicContact CE1-CG1 3.96Å; F723-I727 HydrophobicContact CZ-CD1 3.83Å; F723-I727 HydrophobicContact CZ-CG1 4.19Å
724	C	68.4	Low	89.3	Confident	47 Å²	47	46.3 Å²	46.3	32%	0.318	26%	0.257	S	S	.	.	S	Bend	trans	-149.7	101.4	-179.5	-94.3	0	0	0	0	114	E726 K728	C724-E726 PolarHBondContact N-O 3.05Å; C724-K728 PolarHBondContact O-NZ 2.98Å
725	P	64	Low	89.2	Confident	125 Å²	125	52.1 Å²	52.1	81%	0.812	28%	0.278	S	S	*	.	S	Bend	cis	-74.1	-9.4	-29.4	34.5	-34.7	0	0	0	112
726	E	75.6	Confident	89.2	Confident	112 Å²	112	50.7 Å²	50.7	52%	0.523	27%	0.269	S	S	.	.	S	Bend	trans	-104.5	164.7	175.3	-68.3	170	177.4	0	0	110.9	C724 K728	C724-E726 PolarHBondContact N-O 3.05Å; E726-K728 PolarHBondContact O-N 3.09Å
727	I	86.5	Confident	89.3	Confident	26 Å²	26	53 Å²	53	13%	0.133	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	112.2	177.6	-168.6	176.2	0	0	0	110.9	K645 L646 R649 F723 V729	K645-I727 HydrophobicContact CB-CD1 4.18Å; K645-I727 HydrophobicContact CB-CG2 4.13Å; K645-I727 HydrophobicContact CD-CG2 4.48Å; K645-I727 HydrophobicContact CG-CG2 4.46Å; L646-I727 HydrophobicContact CD2-CD1 3.89Å; L646-I727 HydrophobicContact CG-CD1 3.94Å; R649-I727 HydrophobicContact CG-CD1 4.37Å; F723-I727 HydrophobicContact CD1-CB 3.9Å; F723-I727 HydrophobicContact CD1-CG1 4.26Å; F723-I727 HydrophobicContact CE1-CB 3.79Å; F723-I727 HydrophobicContact CE1-CD1 3.92Å; F723-I727 HydrophobicContact CE1-CG1 3.96Å; F723-I727 HydrophobicContact CZ-CD1 3.83Å; F723-I727 HydrophobicContact CZ-CG1 4.19Å; I727-V729 HydrophobicContact CD1-CG2 4.37Å; I727-V729 HydrophobicContact CG1-CG2 4.14Å
728	K	90.9	Very high	89.4	Confident	96 Å²	96	55.3 Å²	55.3	42%	0.417	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.1	173.3	-72	163.4	-177.8	157.1	0	109.1	Y721 S722 C724 E726 Y730	Y721-K728 CarbonylContact C-O 3.59Å; Y721-K728 WeakPolarHBondContact CA-O 3.45Å; Y721-K728 WeakPolarHBondContact CB-O 3.35Å; S722-K728 PolarHBondContact N-O 2.82Å; S722-K728 PolarHBondContact O-N 3.5Å; C724-K728 PolarHBondContact O-NZ 2.98Å; E726-K728 PolarHBondContact O-N 3.09Å; K728-Y730 HydrophobicContact CB-CE2 4.23Å
729	V	93.4	Very high	89.4	Confident	38 Å²	38	55.7 Å²	55.7	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	114.3	-174.7	-179.9	0	0	0	0	109.7	R649 F719 I727 R731	R649-V729 HydrophobicContact CB-CG2 4.08Å; R649-V729 HydrophobicContact CG-CG2 4.06Å; F719-V729 HydrophobicContact CB-CG1 4.34Å; F719-V729 HydrophobicContact CD1-CG1 4.46Å; F719-V729 HydrophobicContact CD2-CG1 3.56Å; F719-V729 HydrophobicContact CE2-CG1 3.83Å; F719-V729 HydrophobicContact CG-CG1 3.9Å; F719-V729 HydrophobicContact CZ-CG1 4.39Å; I727-V729 HydrophobicContact CD1-CG2 4.37Å; I727-V729 HydrophobicContact CG1-CG2 4.14Å; V729-R731 HydrophobicContact CG1-CG 4.15Å
730	Y	94.3	Very high	89.4	Confident	42 Å²	42	55.7 Å²	55.7	17%	0.165	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	94.6	-176.1	-53	-76.8	0	0	0	109.5	F719 L720 K728 N777 L780	F719-Y730 WeakPolarHBondContact CA-O 3.21Å; F719-Y730 WeakPolarHBondContact CB-O 3.26Å; L720-Y730 HydrophobicContact CB-CD2 4.38Å; L720-Y730 PolarHBondContact N-O 2.79Å; L720-Y730 VanDerWaalsContact N-O 3.1Å; L720-Y730 PolarHBondContact O-N 2.81Å; K728-Y730 HydrophobicContact CB-CE2 4.23Å; Y730-N777 HydrophobicContact CD1-CB 3.93Å; Y730-N777 HydrophobicContact CD2-CB 3.83Å; Y730-N777 HydrophobicContact CE1-CB 4.37Å; Y730-N777 HydrophobicContact CE2-CB 4.29Å; Y730-N777 HydrophobicContact CG-CB 3.62Å; Y730-L780 HydrophobicContact CD2-CD2 3.78Å; Y730-L780 HydrophobicContact CE2-CD2 3.57Å
731	R	94.6	Very high	89.4	Confident	88 Å²	88	57.9 Å²	57.9	33%	0.332	30%	0.299	S	S	.	.			trans	-79.6	168.6	179.8	-50	-167.7	81	86.1	0.7	111	R649 V729 T733	R649-R731 PolarHBondContact O-NH1 2.96Å; V729-R731 HydrophobicContact CG1-CG 4.15Å; R731-T733 PolarHBondContact O-N 3.3Å
732	W	94.6	Very high	89.4	Confident	103 Å²	103	57.9 Å²	57.9	39%	0.39	30%	0.299	S	S	.	.			trans	-58.2	134.2	177.9	179.6	43.6	0	0	0	113	G716 G734 N736 F739	G716-W732 VanDerWaalsContact CA-CE3 3.5Å; G716-W732 WeakPolarHBondContact O-CB 3.43Å; W732-G734 VanDerWaalsContact CE2-CA 3.44Å; W732-N736 PolarHBondContact NE1-O 3.18Å; W732-F739 HydrophobicContact CB-CE1 4.06Å; W732-F739 AromaticContact CD1-CE1 3.39Å; W732-F739 AromaticContact CD1-CZ 3.9Å; W732-F739 AromaticContact CD2-CE1 3.95Å; W732-F739 HydrophobicContact CD2-CE1 3.95Å; W732-F739 AromaticContact CD2-CZ 3.89Å; W732-F739 HydrophobicContact CD2-CZ 3.89Å; W732-F739 AromaticContact CE2-CE1 3.97Å; W732-F739 AromaticContact CE2-CZ 3.64Å; W732-F739 AromaticContact CG-CE1 3.56Å; W732-F739 HydrophobicContact CG-CE1 3.56Å; W732-F739 HydrophobicContact CG-CZ 4.02Å; W732-F739 HydrophobicContact CZ2-CZ 4.11Å; W732-F739 AromaticContact NE1-CE1 3.64Å; W732-F739 AromaticContact NE1-CZ 3.67Å
733	T	91.9	Very high	89.5	Confident	60 Å²	60	59.8 Å²	59.8	37%	0.368	31%	0.309	S	S	.	.			trans	-80	-16.8	179.5	55.7	0	0	0	0	114.6	R731 E735 A773 T774 N776	R731-T733 PolarHBondContact O-N 3.3Å; T733-E735 VanDerWaalsContact C-N 3.25Å; T733-E735 PolarHBondContact O-N 2.92Å; T733-E735 WeakPolarHBondContact OG1-CB 3.32Å; T733-E735 PolarHBondContact OG1-N 3.29Å; T733-A773 WeakPolarHBondContact CG2-O 3.36Å; T733-A773 PolarHBondContact OG1-O 3.19Å; T733-T774 PolarHBondContact N-O 2.89Å; T733-T774 PolarHBondContact OG1-O 2.81Å; T733-N776 HydrophobicContact CG2-CB 3.63Å
734	G	91	Very high	89.7	Confident	47 Å²	47	62 Å²	62	49%	0.485	32%	0.324	S	S	.	.	S	Bend	trans	83.4	-12.6	-167.8	0	0	0	0	0	114.7	W732	W732-G734 VanDerWaalsContact CE2-CA 3.44Å
735	E	89.3	Confident	90.9	Very high	142 Å²	142	64.3 Å²	64.3	66%	0.664	33%	0.333	S	S	*	.	S	Bend	trans	-70.5	-39.2	-169.8	-167.5	-172.9	150.7	0	0	113.4	T733	T733-E735 VanDerWaalsContact C-N 3.25Å; T733-E735 PolarHBondContact O-N 2.92Å; T733-E735 WeakPolarHBondContact OG1-CB 3.32Å; T733-E735 PolarHBondContact OG1-N 3.29Å
736	N	92	Very high	92.4	Very high	23 Å²	23	59 Å²	59	12%	0.123	30%	0.299	C	S	.	.			trans	-155.8	166	179.5	75.7	81.3	0	0	0	111.3	W732 Y738 T774	W732-N736 PolarHBondContact NE1-O 3.18Å; N736-Y738 HydrophobicContact CB-CD2 4.05Å; N736-Y738 HydrophobicContact CB-CE2 4.14Å; N736-Y738 VanDerWaalsContact OD1-CB 3.25Å; N736-Y738 WeakPolarHBondContact OD1-CB 3.47Å; N736-Y738 WeakPolarHBondContact OD1-CD2 3.35Å; N736-Y738 VanDerWaalsContact OD1-CG 3.27Å; N736-Y738 PolarHBondContact OD1-N 2.95Å; N736-T774 PolarHBondContact ND2-N 2.78Å; N736-T774 PolarHBondContact OD1-OG1 3.45Å
737	S	93.3	Very high	93.4	Very high	73 Å²	73	53.8 Å²	53.8	51%	0.51	28%	0.275	S	S	.	.			trans	-105.8	26.9	-174.9	-54.1	0	0	0	0	114.5	F739	S737-F739 VanDerWaalsContact O-CD2 3.27Å; S737-F739 WeakPolarHBondContact O-CD2 3.34Å; S737-F739 PolarHBondContact O-N 3.4Å
738	Y	94.3	Very high	93.8	Very high	112 Å²	112	54.1 Å²	54.1	44%	0.439	28%	0.276	S	S	.	.			trans	-83.1	55.1	-176.6	-55.2	-42.6	0	0	0	112.6	F712 N736 G750 G751	F712-Y738 HydrophobicContact CB-CD1 4.27Å; F712-Y738 AromaticContact CD2-CD1 3.45Å; F712-Y738 HydrophobicContact CD2-CD1 3.45Å; F712-Y738 VanDerWaalsContact CD2-CD1 3.45Å; F712-Y738 HydrophobicContact CD2-CE1 4.18Å; F712-Y738 HydrophobicContact CD2-CG 4.11Å; F712-Y738 AromaticContact CE2-CD1 3.84Å; F712-Y738 HydrophobicContact CE2-CD1 3.84Å; F712-Y738 HydrophobicContact CE2-CE1 4.5Å; F712-Y738 HydrophobicContact CE2-CG 4.16Å; F712-Y738 AromaticContact CG-CD1 3.84Å; F712-Y738 HydrophobicContact CG-CD1 3.84Å; F712-Y738 HydrophobicContact CG-CG 4.33Å; F712-Y738 HydrophobicContact CZ-CG 4.43Å; N736-Y738 HydrophobicContact CB-CD2 4.05Å; N736-Y738 HydrophobicContact CB-CE2 4.14Å; N736-Y738 VanDerWaalsContact OD1-CB 3.25Å; N736-Y738 WeakPolarHBondContact OD1-CB 3.47Å; N736-Y738 WeakPolarHBondContact OD1-CD2 3.35Å; N736-Y738 VanDerWaalsContact OD1-CG 3.27Å; N736-Y738 PolarHBondContact OD1-N 2.95Å; Y738-G750 WeakPolarHBondContact O-CA 3.43Å; Y738-G750 PolarHBondContact O-N 3.2Å; Y738-G751 PolarHBondContact O-N 2.94Å
739	F	95	Very high	94	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.035	26%	0.257	C	S	.	.			trans	-66.1	-60.8	-171	-58.1	-67.3	0	0	0	114.2	Y713 T718 W732 S737 M749 G750 T774 F775	Y713-F739 WeakPolarHBondContact O-CB 3.47Å; T718-F739 HydrophobicContact CG2-CB 4.21Å; W732-F739 HydrophobicContact CB-CE1 4.06Å; W732-F739 AromaticContact CD1-CE1 3.39Å; W732-F739 AromaticContact CD1-CZ 3.9Å; W732-F739 AromaticContact CD2-CE1 3.95Å; W732-F739 HydrophobicContact CD2-CE1 3.95Å; W732-F739 AromaticContact CD2-CZ 3.89Å; W732-F739 HydrophobicContact CD2-CZ 3.89Å; W732-F739 AromaticContact CE2-CE1 3.97Å; W732-F739 AromaticContact CE2-CZ 3.64Å; W732-F739 AromaticContact CG-CE1 3.56Å; W732-F739 HydrophobicContact CG-CE1 3.56Å; W732-F739 HydrophobicContact CG-CZ 4.02Å; W732-F739 HydrophobicContact CZ2-CZ 4.11Å; W732-F739 AromaticContact NE1-CE1 3.64Å; W732-F739 AromaticContact NE1-CZ 3.67Å; S737-F739 VanDerWaalsContact O-CD2 3.27Å; S737-F739 WeakPolarHBondContact O-CD2 3.34Å; S737-F739 PolarHBondContact O-N 3.4Å; F739-M749 CarbonylContact O-C 3.55Å; F739-M749 VanDerWaalsContact O-CA 3.26Å; F739-M749 WeakPolarHBondContact O-CA 3.38Å; F739-G750 PolarHBondContact O-N 3.49Å; F739-T774 HydrophobicContact CD1-CG2 3.89Å; F739-T774 HydrophobicContact CE1-CG2 4.2Å; F739-F775 HydrophobicContact CD1-CE1 4.18Å; F739-F775 HydrophobicContact CD1-CZ 4.14Å
740	V	96.3	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.9	-176.2	-168.9	0	0	0	0	109.7	F706 F712 Y713 T718 L747 Q748 M749	F706-V740 HydrophobicContact CD1-CG1 3.95Å; F706-V740 HydrophobicContact CE1-CG1 4.09Å; F712-V740 CarbonylContact C-O 3.54Å; F712-V740 VanDerWaalsContact CA-O 3.23Å; F712-V740 WeakPolarHBondContact CA-O 3.31Å; Y713-V740 WeakPolarHBondContact CD1-O 3.38Å; Y713-V740 HydrophobicContact CD2-CB 4.42Å; Y713-V740 HydrophobicContact CE1-CB 4.25Å; Y713-V740 HydrophobicContact CE1-CG1 4.04Å; Y713-V740 HydrophobicContact CE2-CB 4.11Å; Y713-V740 HydrophobicContact CE2-CG1 4.04Å; Y713-V740 PolarHBondContact N-O 3.27Å; Y713-V740 WeakPolarHBondContact O-CB 3.45Å; Y713-V740 PolarHBondContact O-N 3.42Å; Y713-V740 VanDerWaalsContact O-N 3.08Å; Y713-V740 WeakPolarHBondContact OH-CG1 3.49Å; T718-V740 HydrophobicContact CG2-CG2 4.16Å; V740-L747 HydrophobicContact CG1-CD1 4.36Å; V740-Q748 CarbonylContact C-O 3.54Å; V740-Q748 WeakPolarHBondContact CA-O 3.36Å; V740-M749 HydrophobicContact CB-CG 4.44Å; V740-M749 HydrophobicContact CG1-CG 4.09Å; V740-M749 HydrophobicContact CG2-CE 3.94Å; V740-M749 HydrophobicContact CG2-CG 4.16Å; V740-M749 HydrophobicContact CG2-SD 4.33Å
741	K	95.1	Very high	93.7	Very high	47 Å²	47	46 Å²	46	20%	0.204	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	122.3	166.2	174.6	166.8	175.8	165.1	0	109.8	E710 F712 N743 Q748	E710-K741 WeakPolarHBondContact O-CE 3.49Å; E710-K741 PolarHBondContact O-NZ 3.08Å; F712-K741 HydrophobicContact CD1-CB 3.62Å; F712-K741 HydrophobicContact CE1-CB 3.63Å; F712-K741 HydrophobicContact CE1-CD 4.44Å; F712-K741 HydrophobicContact CE2-CD 4.31Å; F712-K741 HydrophobicContact CG-CB 4.23Å; F712-K741 HydrophobicContact CZ-CB 4.27Å; F712-K741 HydrophobicContact CZ-CD 4.23Å; K741-N743 WeakPolarHBondContact CE-OD1 3.5Å; K741-Q748 HydrophobicContact CB-CB 4.49Å; K741-Q748 PolarHBondContact N-O 3.11Å; K741-Q748 WeakPolarHBondContact O-CB 3.48Å; K741-Q748 PolarHBondContact O-N 2.8Å
742	G	94.9	Very high	93	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.6	171.6	0	0	0	0	0	111.1	Y676 R707 V708 S709	Y676-G742 WeakPolarHBondContact OH-CA 3.48Å; R707-G742 WeakPolarHBondContact O-CA 3.25Å; V708-G742 CarbonylContact C-O 3.19Å; V708-G742 WeakPolarHBondContact CA-O 3.3Å; S709-G742 PolarHBondContact N-O 2.95Å; S709-G742 PolarHBondContact OG-N 2.87Å; S709-G742 VanDerWaalsContact OG-N 3.1Å; S709-G742 PolarHBondContact OG-O 2.65Å
743	N	94.7	Very high	91.9	Very high	44 Å²	44	41.3 Å²	41.3	24%	0.235	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	169.2	164.7	-54	-54.3	0	0	0	109	Y676 K741 D745 S746 Q748	Y676-N743 VanDerWaalsContact CE2-O 3.23Å; Y676-N743 WeakPolarHBondContact CE2-O 3.47Å; Y676-N743 PolarHBondContact OH-N 3.25Å; Y676-N743 PolarHBondContact OH-O 2.74Å; K741-N743 WeakPolarHBondContact CE-OD1 3.5Å; N743-D745 PolarHBondContact O-N 3.02Å; N743-S746 WeakPolarHBondContact CA-O 3.5Å; N743-S746 PolarHBondContact N-O 3.34Å; N743-S746 PolarHBondContact ND2-OG 3.14Å; N743-S746 VanDerWaalsContact ND2-OG 3.11Å; N743-S746 VanDerWaalsContact O-O 3.11Å; N743-Q748 PolarHBondContact ND2-NE2 3.21Å; N743-Q748 VanDerWaalsContact ND2-NE2 3.18Å
744	T	93.5	Very high	91.3	Very high	69 Å²	69	42.3 Å²	42.3	42%	0.423	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-32.2	175.4	-53.8	0	0	0	0	113.2	K673	K673-T744 VanDerWaalsContact CE-O 3.31Å; K673-T744 WeakPolarHBondContact CE-O 3.31Å
745	D	93.9	Very high	91.1	Very high	95 Å²	95	45.1 Å²	45.1	51%	0.508	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	15.4	-169.8	-42.2	-72	0	0	0	112.9	K673 N743 G762	K673-D745 IonicContact NZ-OD1 3.51Å; K673-D745 PolarHBondContact NZ-OD1 3.13Å; N743-D745 PolarHBondContact O-N 3.02Å; D745-G762 PolarHBondContact O-N 2.62Å
746	S	94.9	Very high	91.2	Very high	14 Å²	14	40.3 Å²	40.3	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	150	166.5	47.5	0	0	0	0	112.2	L672 N743 Q748 L760	L672-S746 VanDerWaalsContact CD2-C 3.48Å; N743-S746 WeakPolarHBondContact CA-O 3.5Å; N743-S746 PolarHBondContact N-O 3.34Å; N743-S746 PolarHBondContact ND2-OG 3.14Å; N743-S746 VanDerWaalsContact ND2-OG 3.11Å; N743-S746 VanDerWaalsContact O-O 3.11Å; S746-Q748 PolarHBondContact OG-NE2 2.99Å; S746-L760 CarbonylContact C-O 3.46Å; S746-L760 WeakPolarHBondContact CA-O 3.29Å; S746-L760 WeakPolarHBondContact CB-O 3.08Å
747	L	96.3	Very high	91.3	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.9	170.1	-179.3	59.9	0	0	0	109.4	L672 F706 V740 W759 L760	L672-L747 HydrophobicContact CD1-CB 3.95Å; L672-L747 HydrophobicContact CD1-CD2 4.38Å; L672-L747 HydrophobicContact CD2-CB 4.34Å; F706-L747 HydrophobicContact CB-CD1 4.42Å; F706-L747 HydrophobicContact CB-CD2 4.43Å; F706-L747 HydrophobicContact CD1-CD1 3.86Å; F706-L747 HydrophobicContact CD1-CD2 3.94Å; F706-L747 HydrophobicContact CD1-CG 4.46Å; F706-L747 HydrophobicContact CD2-CD2 4.27Å; F706-L747 HydrophobicContact CE1-CD2 4.25Å; F706-L747 HydrophobicContact CG-CD1 4.33Å; F706-L747 HydrophobicContact CG-CD2 3.95Å; V740-L747 HydrophobicContact CG1-CD1 4.36Å; L747-W759 WeakPolarHBondContact O-CA 3.24Å; L747-L760 PolarHBondContact N-O 2.96Å; L747-L760 PolarHBondContact O-N 3.06Å
748	Q	95.3	Very high	91.4	Very high	33 Å²	33	35.9 Å²	35.9	15%	0.154	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.6	-169.5	-42.2	-169.7	-12.5	0	0	110.5	V740 K741 N743 S746 L756	V740-Q748 CarbonylContact C-O 3.54Å; V740-Q748 WeakPolarHBondContact CA-O 3.36Å; K741-Q748 HydrophobicContact CB-CB 4.49Å; K741-Q748 PolarHBondContact N-O 3.11Å; K741-Q748 WeakPolarHBondContact O-CB 3.48Å; K741-Q748 PolarHBondContact O-N 2.8Å; N743-Q748 PolarHBondContact ND2-NE2 3.21Å; N743-Q748 VanDerWaalsContact ND2-NE2 3.18Å; S746-Q748 PolarHBondContact OG-NE2 2.99Å; Q748-L756 HydrophobicContact CB-CD1 4.39Å; Q748-L756 HydrophobicContact CG-CD1 4.39Å
749	M	95.8	Very high	91.5	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.02	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.8	175.3	-69.5	-168.8	59.9	0	0	112.1	A700 F706 T718 L720 F739 V740 G757 L758	A700-M749 HydrophobicContact CB-CE 3.41Å; A700-M749 VanDerWaalsContact CB-CE 3.41Å; A700-M749 HydrophobicContact CB-SD 3.46Å; A700-M749 WeakPolarHBondContact CB-SD 3.22Å; F706-M749 HydrophobicContact CE1-SD 3.69Å; F706-M749 HydrophobicContact CZ-SD 4.02Å; T718-M749 HydrophobicContact CG2-CE 3.44Å; T718-M749 VanDerWaalsContact CG2-CE 3.44Å; L720-M749 HydrophobicContact CD2-CB 4.11Å; L720-M749 HydrophobicContact CD2-CE 4.31Å; F739-M749 CarbonylContact O-C 3.55Å; F739-M749 VanDerWaalsContact O-CA 3.26Å; F739-M749 WeakPolarHBondContact O-CA 3.38Å; V740-M749 HydrophobicContact CB-CG 4.44Å; V740-M749 HydrophobicContact CG1-CG 4.09Å; V740-M749 HydrophobicContact CG2-CE 3.94Å; V740-M749 HydrophobicContact CG2-CG 4.16Å; V740-M749 HydrophobicContact CG2-SD 4.33Å; M749-G757 WeakPolarHBondContact O-CA 3.35Å; M749-G757 PolarHBondContact O-N 3.27Å; M749-L758 HydrophobicContact CB-CB 4.45Å; M749-L758 PolarHBondContact N-O 3.09Å; M749-L758 PolarHBondContact O-N 2.93Å
750	G	91.7	Very high	91.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.212	C	C	.	.			trans	71.1	89.4	-179.8	0	0	0	0	0	112.9	Y738 F739 L756 G757 C772	Y738-G750 WeakPolarHBondContact O-CA 3.43Å; Y738-G750 PolarHBondContact O-N 3.2Å; F739-G750 PolarHBondContact O-N 3.49Å; G750-L756 CarbonylContact O-C 3.58Å; G750-L756 WeakPolarHBondContact O-CA 3.47Å; G750-G757 PolarHBondContact O-N 3Å; G750-C772 WeakPolarHBondContact O-CB 3.37Å; G750-C772 PolarHBondContact O-SG 3.13Å
751	G	88.6	Confident	91.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.01	22%	0.217	C	C	.	.			trans	-91.5	-163.4	175	0	0	0	0	0	114.5	Y738 A773 T774	Y738-G751 PolarHBondContact O-N 2.94Å; G751-A773 PolarHBondContact O-N 3.31Å; G751-T774 PolarHBondContact N-OG1 2.85Å; G751-T774 VanDerWaalsContact N-OG1 3.11Å; G751-T774 PolarHBondContact O-N 3.46Å; G751-T774 PolarHBondContact O-OG1 2.89Å
752	G	80.4	Confident	91.6	Very high	17 Å²	17	33 Å²	33	18%	0.175	21%	0.214	C	C	.	.			trans	93.4	142.9	177.2	0	0	0	0	0	113.2	G754	G752-G754 VanDerWaalsContact C-N 3.25Å; G752-G754 PolarHBondContact O-N 3.46Å
753	G	70.7	Confident	91.5	Very high	76 Å²	76	39.5 Å²	39.5	78%	0.784	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	4.8	-178.5	0	0	0	0	0	115.9	H755	G753-H755 VanDerWaalsContact C-N 3.29Å; G753-H755 PolarHBondContact O-CD2 3.08Å
754	G	80.1	Confident	91.5	Very high	80 Å²	80	37.5 Å²	37.5	83%	0.825	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.2	-5.4	-175.6	0	0	0	0	0	114.6	G752	G752-G754 VanDerWaalsContact C-N 3.25Å; G752-G754 PolarHBondContact O-N 3.46Å
755	H	86.3	Confident	91.5	Very high	106 Å²	106	40 Å²	40	49%	0.491	24%	0.237	S	C	.	.			trans	-107.7	162.3	-179.4	-69.3	-81.2	0	0	0	111.5	G753 T770 K771	G753-H755 VanDerWaalsContact C-N 3.29Å; G753-H755 PolarHBondContact O-CD2 3.08Å; H755-T770 WeakPolarHBondContact CB-OG1 3.37Å; H755-K771 VanDerWaalsContact CB-O 3.28Å; H755-K771 WeakPolarHBondContact CB-O 3.14Å
756	L	91.9	Very high	91.6	Very high	41 Å²	41	42.4 Å²	42.4	22%	0.215	24%	0.239	C	C	.	.			trans	-126.4	127.4	-177.5	-63.7	179.6	0	0	0	110.9	Q748 G750 L758 W759 T770	Q748-L756 HydrophobicContact CB-CD1 4.39Å; Q748-L756 HydrophobicContact CG-CD1 4.39Å; G750-L756 CarbonylContact O-C 3.58Å; G750-L756 WeakPolarHBondContact O-CA 3.47Å; L756-L758 PolarHBondContact O-N 3.18Å; L756-W759 HydrophobicContact CB-CB 4.37Å; L756-W759 HydrophobicContact CD1-CB 3.97Å; L756-W759 HydrophobicContact CD1-CG 4.09Å; L756-T770 PolarHBondContact N-OG1 3.45Å; L756-T770 PolarHBondContact O-N 2.92Å; L756-T770 PolarHBondContact O-OG1 3.1Å
757	G	93.3	Very high	91.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-62	-43.8	-178.7	0	0	0	0	0	112.2	M749 G750 T769 T770	M749-G757 WeakPolarHBondContact O-CA 3.35Å; M749-G757 PolarHBondContact O-N 3.27Å; G750-G757 PolarHBondContact O-N 3Å; G757-T769 WeakPolarHBondContact O-CA 3.35Å; G757-T769 WeakPolarHBondContact O-CB 3.46Å; G757-T769 PolarHBondContact O-OG1 3.32Å; G757-T770 WeakPolarHBondContact CA-O 3.5Å
758	L	95.9	Very high	91.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	128.6	170.9	-177.7	62.7	0	0	0	109.4	L688 F698 L720 M749 L756 L760 L780 F786	L688-L758 HydrophobicContact CD2-CD2 3.98Å; F698-L758 HydrophobicContact CD2-CD1 4.43Å; F698-L758 HydrophobicContact CE2-CD1 4.07Å; L720-L758 HydrophobicContact CD2-CB 4.16Å; M749-L758 HydrophobicContact CB-CB 4.45Å; M749-L758 PolarHBondContact N-O 3.09Å; M749-L758 PolarHBondContact O-N 2.93Å; L756-L758 PolarHBondContact O-N 3.18Å; L758-L760 HydrophobicContact CD1-CD2 4.02Å; L758-L760 HydrophobicContact CG-CD2 4.29Å; L758-L780 HydrophobicContact CB-CD1 4.35Å; L758-L780 HydrophobicContact CD1-CD1 4.41Å; L758-F786 HydrophobicContact CD1-CE1 4.01Å; L758-F786 HydrophobicContact CD1-CZ 3.66Å
759	W	96.2	Very high	91.5	Very high	70 Å²	70	41.8 Å²	41.8	27%	0.265	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.4	173.2	177.8	96.5	0	0	0	109	L747 L756 D761 G767 T768	L747-W759 WeakPolarHBondContact O-CA 3.24Å; L756-W759 HydrophobicContact CB-CB 4.37Å; L756-W759 HydrophobicContact CD1-CB 3.97Å; L756-W759 HydrophobicContact CD1-CG 4.09Å; W759-D761 HydrophobicContact CH2-CB 3.6Å; W759-D761 HydrophobicContact CZ2-CB 4.37Å; W759-D761 HydrophobicContact CZ3-CB 3.97Å; W759-G767 CarbonylContact O-C 3.54Å; W759-G767 WeakPolarHBondContact O-CA 3.5Å; W759-T768 PolarHBondContact N-O 3.42Å; W759-T768 PolarHBondContact O-N 2.72Å
760	L	96.9	Very high	91.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	147.2	174.2	-46	176.6	0	0	0	109.5	L688 S746 L747 L758 L764 F786 I788 L791	L688-L760 HydrophobicContact CD2-CD1 4.16Å; S746-L760 CarbonylContact C-O 3.46Å; S746-L760 WeakPolarHBondContact CA-O 3.29Å; S746-L760 WeakPolarHBondContact CB-O 3.08Å; L747-L760 PolarHBondContact N-O 2.96Å; L747-L760 PolarHBondContact O-N 3.06Å; L758-L760 HydrophobicContact CD1-CD2 4.02Å; L758-L760 HydrophobicContact CG-CD2 4.29Å; L760-L764 HydrophobicContact CB-CD2 4.38Å; L760-L764 HydrophobicContact CD1-CD2 4.31Å; L760-F786 HydrophobicContact CD2-CE2 4.14Å; L760-F786 HydrophobicContact CD2-CZ 3.87Å; L760-I788 HydrophobicContact CD2-CD1 3.82Å; L760-L791 HydrophobicContact CD1-CD1 3.73Å
761	D	96.4	Very high	91.4	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.102	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	173.2	176.5	70.2	10	0	0	0	113.9	W759 E763 L764 Y765 R766	W759-D761 HydrophobicContact CH2-CB 3.6Å; W759-D761 HydrophobicContact CZ2-CB 4.37Å; W759-D761 HydrophobicContact CZ3-CB 3.97Å; D761-E763 PolarHBondContact O-N 3.03Å; D761-E763 PolarHBondContact OD1-N 3.05Å; D761-L764 PolarHBondContact O-N 3.42Å; D761-L764 WeakPolarHBondContact OD1-CA 3.38Å; D761-L764 PolarHBondContact OD1-N 3.06Å; D761-Y765 PolarHBondContact OD1-N 3.38Å; D761-R766 PolarHBondContact N-O 3.43Å; D761-R766 PolarHBondContact OD1-N 3.35Å; D761-R766 VanDerWaalsContact OD2-CB 3.25Å; D761-R766 WeakPolarHBondContact OD2-CB 3.45Å; D761-R766 PolarHBondContact OD2-N 3.03Å
762	G	94.8	Very high	91.7	Very high	15 Å²	15	47.2 Å²	47.2	16%	0.155	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-12.9	178.4	0	0	0	0	0	115	L672 D745	L672-G762 WeakPolarHBondContact CB-O 3.23Å; L672-G762 PolarHBondContact N-O 2.84Å; D745-G762 PolarHBondContact O-N 2.62Å
763	E	94	Very high	92.2	Very high	137 Å²	137	47.4 Å²	47.4	64%	0.64	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	6.8	-178.8	-60.9	-169	167.5	0	0	112.7	T670 D761 Y765	T670-E763 WeakPolarHBondContact CB-O 3.28Å; T670-E763 CarbonylContact O-C 3.52Å; T670-E763 PolarHBondContact OG1-O 3.36Å; D761-E763 PolarHBondContact O-N 3.03Å; D761-E763 PolarHBondContact OD1-N 3.05Å; E763-Y765 PolarHBondContact O-N 3.08Å; E763-Y765 VanDerWaalsContact O-N 3.1Å
764	L	94.5	Very high	93.3	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.224	C	C	.	.	S	Bend	trans	40.4	44	-176	-54.5	174.8	0	0	0	112.5	Y663 T665 T670 L672 L675 L760 D761 I788 L791	Y663-L764 HydrophobicContact CE1-CD1 3.72Å; T665-L764 HydrophobicContact CG2-CB 4.49Å; T670-L764 WeakPolarHBondContact O-CB 3.23Å; T670-L764 WeakPolarHBondContact O-CD1 2.88Å; T670-L764 WeakPolarHBondContact O-CG 3.38Å; T670-L764 PolarHBondContact O-N 3.07Å; L672-L764 HydrophobicContact CB-CD2 4.19Å; L672-L764 HydrophobicContact CB-CG 4.28Å; L672-L764 HydrophobicContact CD1-CD2 4.03Å; L675-L764 HydrophobicContact CB-CD1 4.31Å; L675-L764 HydrophobicContact CD1-CD1 3.88Å; L760-L764 HydrophobicContact CB-CD2 4.38Å; L760-L764 HydrophobicContact CD1-CD2 4.31Å; D761-L764 PolarHBondContact O-N 3.42Å; D761-L764 WeakPolarHBondContact OD1-CA 3.38Å; D761-L764 PolarHBondContact OD1-N 3.06Å; L764-I788 WeakPolarHBondContact O-CB 3.36Å; L764-L791 HydrophobicContact CD1-CD2 4.49Å; L764-L791 HydrophobicContact CD2-CD1 4.11Å
765	Y	94.3	Very high	93.9	Very high	121 Å²	121	40.2 Å²	40.2	48%	0.475	19%	0.186	S	C	.	.	S	Bend	trans	-120.4	-37.4	-177.4	178	-116.7	0	0	0	112.1	D761 E763 N787 I788	D761-Y765 PolarHBondContact OD1-N 3.38Å; E763-Y765 PolarHBondContact O-N 3.08Å; E763-Y765 VanDerWaalsContact O-N 3.1Å; Y765-N787 CarbonylContact O-C 2.93Å; Y765-N787 WeakPolarHBondContact O-CA 3.25Å; Y765-I788 PolarHBondContact O-N 2.88Å
766	R	95	Very high	94.1	Very high	147 Å²	147	39.6 Å²	39.6	56%	0.555	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.1	147.3	173.7	-56.9	172.1	179.2	-107.5	-2.6	110.9	D761	D761-R766 PolarHBondContact N-O 3.43Å; D761-R766 PolarHBondContact OD1-N 3.35Å; D761-R766 VanDerWaalsContact OD2-CB 3.25Å; D761-R766 WeakPolarHBondContact OD2-CB 3.45Å; D761-R766 PolarHBondContact OD2-N 3.03Å
767	G	95.6	Very high	94.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	164.9	166.6	0	0	0	0	0	112.4	W759 F786	W759-G767 CarbonylContact O-C 3.54Å; W759-G767 WeakPolarHBondContact O-CA 3.5Å; G767-F786 VanDerWaalsContact C-CE1 3.4Å; G767-F786 VanDerWaalsContact CA-CZ 3.47Å; G767-F786 PolarHBondContact N-O 3.1Å; G767-F786 WeakPolarHBondContact O-CD1 3.47Å; G767-F786 PolarHBondContact O-N 3.04Å
768	T	94.7	Very high	94	Very high	36 Å²	36	42.9 Å²	42.9	22%	0.221	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	135.4	178.5	-52.5	0	0	0	0	108.6	W759 T770 E784 D785	W759-T768 PolarHBondContact N-O 3.42Å; W759-T768 PolarHBondContact O-N 2.72Å; T768-T770 HydrophobicContact CG2-CG2 4.19Å; T768-E784 CarbonylContact C-O 3.55Å; T768-E784 VanDerWaalsContact CA-O 3.22Å; T768-E784 WeakPolarHBondContact CA-O 3.09Å; T768-D785 WeakPolarHBondContact CB-OD1 3.21Å; T768-D785 VanDerWaalsContact CG2-OD1 3.29Å; T768-D785 WeakPolarHBondContact CG2-OD1 3.34Å; T768-D785 PolarHBondContact OG1-OD1 3.37Å
769	T	94.4	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.214	C	C	.	.			trans	-128.1	123.5	174.4	178.8	0	0	0	0	109.9	G757 P779 L780 S781 E784 F786	G757-T769 WeakPolarHBondContact O-CA 3.35Å; G757-T769 WeakPolarHBondContact O-CB 3.46Å; G757-T769 PolarHBondContact O-OG1 3.32Å; T769-P779 HydrophobicContact CG2-CB 4.26Å; T769-L780 HydrophobicContact CG2-CB 4.16Å; T769-L780 VanDerWaalsContact CG2-N 3.34Å; T769-L780 WeakPolarHBondContact OG1-CG 3.44Å; T769-L780 PolarHBondContact OG1-N 3.13Å; T769-S781 WeakPolarHBondContact CG2-OG 3.34Å; T769-E784 PolarHBondContact N-O 2.67Å; T769-E784 WeakPolarHBondContact O-CA 3.4Å; T769-F786 HydrophobicContact CG2-CD1 4.03Å; T769-F786 HydrophobicContact CG2-CE1 3.98Å
770	T	93.8	Very high	93.5	Very high	15 Å²	15	41.7 Å²	41.7	9%	0.092	20%	0.202	C	C	.	.			trans	-132.1	171.3	178.2	57.2	0	0	0	0	109.4	H755 L756 G757 T768 C772 N777 E784	H755-T770 WeakPolarHBondContact CB-OG1 3.37Å; L756-T770 PolarHBondContact N-OG1 3.45Å; L756-T770 PolarHBondContact O-N 2.92Å; L756-T770 PolarHBondContact O-OG1 3.1Å; G757-T770 WeakPolarHBondContact CA-O 3.5Å; T768-T770 HydrophobicContact CG2-CG2 4.19Å; T770-C772 PolarHBondContact O-N 2.87Å; T770-N777 PolarHBondContact O-ND2 3.23Å; T770-E784 HydrophobicContact CG2-CB 4.4Å; T770-E784 HydrophobicContact CG2-CG 4.49Å
771	K	92.6	Very high	93.2	Very high	101 Å²	101	42 Å²	42	44%	0.439	20%	0.204	S	C	.	.			trans	-72.5	121.8	174.8	171.6	160.2	-177.6	160.2	0	111	H755 N776 N777	H755-K771 VanDerWaalsContact CB-O 3.28Å; H755-K771 WeakPolarHBondContact CB-O 3.14Å; K771-N776 WeakPolarHBondContact CE-OD1 3.42Å; K771-N776 PolarHBondContact NZ-OD1 2.84Å; K771-N777 WeakPolarHBondContact CA-O 3.33Å; K771-N777 WeakPolarHBondContact CB-O 3.27Å; K771-N777 VanDerWaalsContact CG-O 3.27Å; K771-N777 WeakPolarHBondContact CG-O 3.47Å
772	C	93.2	Very high	92.7	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.02	23%	0.229	C	C	.	.			trans	-111.3	155.9	174.8	79.7	0	0	0	0	113.5	G750 T770 N776 N777	G750-C772 WeakPolarHBondContact O-CB 3.37Å; G750-C772 PolarHBondContact O-SG 3.13Å; T770-C772 PolarHBondContact O-N 2.87Å; C772-N776 VanDerWaalsContact O-CA 3.29Å; C772-N776 WeakPolarHBondContact O-CA 3.32Å; C772-N776 PolarHBondContact O-N 2.99Å; C772-N777 PolarHBondContact N-OD1 3.03Å; C772-N777 PolarHBondContact SG-OD1 3.37Å
773	A	91.5	Very high	92.3	Very high	20 Å²	20	51.7 Å²	51.7	17%	0.165	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-28	176.3	0	0	0	0	0	113.2	T733 G751 F775	T733-A773 WeakPolarHBondContact CG2-O 3.36Å; T733-A773 PolarHBondContact OG1-O 3.19Å; G751-A773 PolarHBondContact O-N 3.31Å; A773-F775 VanDerWaalsContact C-N 3.3Å; A773-F775 PolarHBondContact O-N 3.35Å
774	T	93	Very high	92.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.3	-178.4	-51.5	0	0	0	0	113.1	T733 N736 F739 G751	T733-T774 PolarHBondContact N-O 2.89Å; T733-T774 PolarHBondContact OG1-O 2.81Å; N736-T774 PolarHBondContact ND2-N 2.78Å; N736-T774 PolarHBondContact OD1-OG1 3.45Å; F739-T774 HydrophobicContact CD1-CG2 3.89Å; F739-T774 HydrophobicContact CE1-CG2 4.2Å; G751-T774 PolarHBondContact N-OG1 2.85Å; G751-T774 VanDerWaalsContact N-OG1 3.11Å; G751-T774 PolarHBondContact O-N 3.46Å; G751-T774 PolarHBondContact O-OG1 2.89Å
775	F	93.4	Very high	92.2	Very high	5 Å²	5	55.9 Å²	55.9	2%	0.022	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-6	-173.5	-56.3	-58.1	0	0	0	114.1	T718 L720 F739 A773 N777	T718-F775 HydrophobicContact CG2-CZ 3.9Å; T718-F775 VanDerWaalsContact O-CE1 3.28Å; T718-F775 WeakPolarHBondContact O-CE1 3.31Å; L720-F775 HydrophobicContact CD1-CB 4.49Å; L720-F775 HydrophobicContact CD1-CD2 3.52Å; L720-F775 HydrophobicContact CD1-CE2 4.12Å; L720-F775 HydrophobicContact CD1-CG 4.31Å; L720-F775 HydrophobicContact CD2-CD2 4.46Å; L720-F775 HydrophobicContact CD2-CE2 4.3Å; L720-F775 HydrophobicContact CG-CD2 3.56Å; L720-F775 HydrophobicContact CG-CE2 3.84Å; L720-F775 HydrophobicContact CG-CG 4.23Å; F739-F775 HydrophobicContact CD1-CE1 4.18Å; F739-F775 HydrophobicContact CD1-CZ 4.14Å; A773-F775 VanDerWaalsContact C-N 3.3Å; A773-F775 PolarHBondContact O-N 3.35Å; F775-N777 HydrophobicContact CB-CB 4.43Å; F775-N777 PolarHBondContact O-N 3.39Å; F775-N777 VanDerWaalsContact O-N 3.07Å
776	N	91.8	Very high	92.2	Very high	94 Å²	94	50.5 Å²	50.5	50%	0.503	25%	0.253	S	S	.	.			trans	49.1	32.4	-174.2	-169.4	28.2	0	0	0	112.9	T733 K771 C772	T733-N776 HydrophobicContact CG2-CB 3.63Å; K771-N776 WeakPolarHBondContact CE-OD1 3.42Å; K771-N776 PolarHBondContact NZ-OD1 2.84Å; C772-N776 VanDerWaalsContact O-CA 3.29Å; C772-N776 WeakPolarHBondContact O-CA 3.32Å; C772-N776 PolarHBondContact O-N 2.99Å
777	N	92.4	Very high	92.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.3	154	-174.7	67.5	-72.9	0	0	0	111.9	L720 Y730 T770 K771 C772 F775	L720-N777 HydrophobicContact CD1-CB 4.41Å; Y730-N777 HydrophobicContact CD1-CB 3.93Å; Y730-N777 HydrophobicContact CD2-CB 3.83Å; Y730-N777 HydrophobicContact CE1-CB 4.37Å; Y730-N777 HydrophobicContact CE2-CB 4.29Å; Y730-N777 HydrophobicContact CG-CB 3.62Å; T770-N777 PolarHBondContact O-ND2 3.23Å; K771-N777 WeakPolarHBondContact CA-O 3.33Å; K771-N777 WeakPolarHBondContact CB-O 3.27Å; K771-N777 VanDerWaalsContact CG-O 3.27Å; K771-N777 WeakPolarHBondContact CG-O 3.47Å; C772-N777 PolarHBondContact N-OD1 3.03Å; C772-N777 PolarHBondContact SG-OD1 3.37Å; F775-N777 HydrophobicContact CB-CB 4.43Å; F775-N777 PolarHBondContact O-N 3.39Å; F775-N777 VanDerWaalsContact O-N 3.07Å
778	Q	90.6	Very high	92.2	Very high	109 Å²	109	46.7 Å²	46.7	51%	0.509	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-81.9	163.8	155.7	-57.9	-63	-5.5	0	0	108.9	L780	Q778-L780 PolarHBondContact O-N 2.99Å
779	P	90.1	Very high	92.2	Very high	47 Å²	47	50.1 Å²	50.1	31%	0.305	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-48.4	134.4	168.4	-27.7	36.5	0	0	0	111.1	T769	T769-P779 HydrophobicContact CG2-CB 4.26Å
780	L	90.6	Very high	92.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.257	C	S	.	.	S	Bend	trans	-80.2	-22.5	-173.5	-60.6	-179.3	0	0	0	113.3	F698 L720 S722 Y730 L758 T769 Q778	F698-L780 HydrophobicContact CB-CB 3.94Å; F698-L780 HydrophobicContact CD2-CB 3.88Å; F698-L780 HydrophobicContact CD2-CD1 4.24Å; F698-L780 HydrophobicContact CG-CB 3.9Å; L720-L780 HydrophobicContact CB-CD1 4.18Å; L720-L780 HydrophobicContact CB-CD2 4.3Å; L720-L780 HydrophobicContact CD1-CD1 4.31Å; S722-L780 WeakPolarHBondContact CB-O 3.3Å; S722-L780 PolarHBondContact OG-O 3.49Å; Y730-L780 HydrophobicContact CD2-CD2 3.78Å; Y730-L780 HydrophobicContact CE2-CD2 3.57Å; L758-L780 HydrophobicContact CB-CD1 4.35Å; L758-L780 HydrophobicContact CD1-CD1 4.41Å; T769-L780 HydrophobicContact CG2-CB 4.16Å; T769-L780 VanDerWaalsContact CG2-N 3.34Å; T769-L780 WeakPolarHBondContact OG1-CG 3.44Å; T769-L780 PolarHBondContact OG1-N 3.13Å; Q778-L780 PolarHBondContact O-N 2.99Å
781	S	89.6	Confident	92.2	Very high	8 Å²	8	49.5 Å²	49.5	6%	0.056	25%	0.253	C	S	.	.	S	Bend	trans	-114.3	165.1	174.3	42.9	0	0	0	0	111.1	T769 R783 F786	T769-S781 WeakPolarHBondContact CG2-OG 3.34Å; S781-R783 PolarHBondContact O-N 2.7Å; S781-R783 PolarHBondContact OG-O 2.87Å; S781-F786 WeakPolarHBondContact OG-CD1 3.37Å
782	A	86.2	Confident	92.4	Very high	75 Å²	75	44.8 Å²	44.8	62%	0.62	23%	0.232	S	C	*	.	S	Bend	trans	-61.6	-12.4	177.3	0	0	0	0	0	114.9
783	R	87.6	Confident	92.5	Very high	163 Å²	163	44.6 Å²	44.6	62%	0.615	23%	0.231	S	C	*	.	S	Bend	trans	-132.7	156.7	175	-55.4	-178.3	-159.8	-152.1	3.4	109.3	D694 S781 D785	D694-R783 IonicContact OD2-NE 2.59Å; D694-R783 IonicContact OD2-NH2 3.96Å; S781-R783 PolarHBondContact O-N 2.7Å; S781-R783 PolarHBondContact OG-O 2.87Å; R783-D785 WeakPolarHBondContact CB-O 3.25Å
784	E	90.6	Very high	92.7	Very high	116 Å²	116	43.7 Å²	43.7	54%	0.542	22%	0.224	S	C	.	.	S	Bend	trans	-67.6	-48.2	174.4	-61.4	-169.8	144.5	0	0	111	T768 T769 T770	T768-E784 CarbonylContact C-O 3.55Å; T768-E784 VanDerWaalsContact CA-O 3.22Å; T768-E784 WeakPolarHBondContact CA-O 3.09Å; T769-E784 PolarHBondContact N-O 2.67Å; T769-E784 WeakPolarHBondContact O-CA 3.4Å; T770-E784 HydrophobicContact CG2-CB 4.4Å; T770-E784 HydrophobicContact CG2-CG 4.49Å
785	D	94.3	Very high	92.7	Very high	111 Å²	111	43.7 Å²	43.7	59%	0.594	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.1	170.6	-67.3	-41.7	0	0	0	111.6	T768 R783	T768-D785 WeakPolarHBondContact CB-OD1 3.21Å; T768-D785 VanDerWaalsContact CG2-OD1 3.29Å; T768-D785 WeakPolarHBondContact CG2-OD1 3.34Å; T768-D785 PolarHBondContact OG1-OD1 3.37Å; R783-D785 WeakPolarHBondContact CB-O 3.25Å
786	F	94.6	Very high	92.6	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.035	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	162.3	-177.7	63.5	-97.1	0	0	0	112.1	V690 F698 L758 L760 G767 T769 S781 I788	V690-F786 HydrophobicContact CG1-CE2 4.11Å; F698-F786 HydrophobicContact CE2-CD1 4.45Å; F698-F786 HydrophobicContact CE2-CD2 4.4Å; F698-F786 AromaticContact CE2-CE1 3.91Å; F698-F786 HydrophobicContact CE2-CE1 3.91Å; F698-F786 AromaticContact CE2-CE2 3.87Å; F698-F786 HydrophobicContact CE2-CE2 3.87Å; F698-F786 AromaticContact CE2-CZ 3.6Å; F698-F786 HydrophobicContact CE2-CZ 3.6Å; F698-F786 HydrophobicContact CZ-CD1 4.03Å; F698-F786 AromaticContact CZ-CD2 3.76Å; F698-F786 HydrophobicContact CZ-CD2 3.76Å; F698-F786 AromaticContact CZ-CE1 3.95Å; F698-F786 HydrophobicContact CZ-CE1 3.95Å; F698-F786 AromaticContact CZ-CE2 3.69Å; F698-F786 HydrophobicContact CZ-CE2 3.69Å; F698-F786 AromaticContact CZ-CG 3.94Å; F698-F786 HydrophobicContact CZ-CG 3.94Å; F698-F786 AromaticContact CZ-CZ 3.79Å; F698-F786 HydrophobicContact CZ-CZ 3.79Å; L758-F786 HydrophobicContact CD1-CE1 4.01Å; L758-F786 HydrophobicContact CD1-CZ 3.66Å; L760-F786 HydrophobicContact CD2-CE2 4.14Å; L760-F786 HydrophobicContact CD2-CZ 3.87Å; G767-F786 VanDerWaalsContact C-CE1 3.4Å; G767-F786 VanDerWaalsContact CA-CZ 3.47Å; G767-F786 PolarHBondContact N-O 3.1Å; G767-F786 WeakPolarHBondContact O-CD1 3.47Å; G767-F786 PolarHBondContact O-N 3.04Å; T769-F786 HydrophobicContact CG2-CD1 4.03Å; T769-F786 HydrophobicContact CG2-CE1 3.98Å; S781-F786 WeakPolarHBondContact OG-CD1 3.37Å; F786-I788 HydrophobicContact CD2-CG1 4.26Å; F786-I788 HydrophobicContact CE2-CD1 4.46Å; F786-I788 HydrophobicContact CE2-CG1 3.87Å
787	N	95.8	Very high	92	Very high	60 Å²	60	44.8 Å²	44.8	32%	0.321	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	127.2	177.3	-66.9	-47.6	0	0	0	109.6	D692 V693 Y765 H789	D692-N787 WeakPolarHBondContact CA-O 3.44Å; D692-N787 PolarHBondContact OD1-N 3.46Å; V693-N787 HydrophobicContact CG2-CB 3.97Å; V693-N787 PolarHBondContact N-O 3.39Å; Y765-N787 CarbonylContact O-C 2.93Å; Y765-N787 WeakPolarHBondContact O-CA 3.25Å; N787-H789 PolarHBondContact O-N 2.89Å
788	I	95.1	Very high	91.9	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	117.2	-179.3	-56.4	176.2	0	0	0	108.2	V690 L760 L764 Y765 F786 L791	V690-I788 HydrophobicContact CG1-CD1 4.46Å; V690-I788 HydrophobicContact CG1-CG1 4.05Å; V690-I788 HydrophobicContact CG1-CG2 4.27Å; L760-I788 HydrophobicContact CD2-CD1 3.82Å; L764-I788 WeakPolarHBondContact O-CB 3.36Å; Y765-I788 PolarHBondContact O-N 2.88Å; F786-I788 HydrophobicContact CD2-CG1 4.26Å; F786-I788 HydrophobicContact CE2-CD1 4.46Å; F786-I788 HydrophobicContact CE2-CG1 3.87Å; I788-L791 HydrophobicContact CD1-CD1 4.25Å; I788-L791 HydrophobicContact CG2-CB 3.9Å
789	H	94.2	Very high	92	Very high	108 Å²	108	43.8 Å²	43.8	50%	0.5	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-54.8	166.3	-179.1	-60.8	0	0	0	109.2	K691 V693 N787	K691-H789 PolarHBondContact O-N 3.41Å; V693-H789 HydrophobicContact CG2-CB 4.26Å; N787-H789 PolarHBondContact O-N 2.89Å
790	S	94.1	Very high	92.1	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.4	-179.7	-60	0	0	0	0	111	T665 E666 K691	T665-S790 WeakPolarHBondContact OG1-CA 3.47Å; E666-S790 WeakPolarHBondContact OE1-CB 3.36Å; E666-S790 PolarHBondContact OE1-OG 2.88Å; K691-S790 PolarHBondContact N-O 3.33Å; K691-S790 PolarHBondContact O-N 2.82Å
791	L	95.8	Very high	92.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.5	-179.8	171.8	166.5	0	0	0	110	Y663 S664 T665 L675 L688 V689 V690 L760 L764 I788 V793	Y663-L791 HydrophobicContact CD1-CD2 3.97Å; Y663-L791 HydrophobicContact CE1-CD2 4.26Å; S664-L791 CarbonylContact C-O 3.52Å; S664-L791 VanDerWaalsContact CA-O 3.31Å; S664-L791 WeakPolarHBondContact CA-O 3.24Å; T665-L791 HydrophobicContact CG2-CB 3.83Å; T665-L791 PolarHBondContact N-O 2.93Å; T665-L791 PolarHBondContact OG1-N 3.28Å; T665-L791 PolarHBondContact OG1-O 3.15Å; L675-L791 HydrophobicContact CD1-CD2 3.97Å; L688-L791 HydrophobicContact CD1-CD1 3.89Å; L688-L791 HydrophobicContact CD1-CD2 3.86Å; L688-L791 HydrophobicContact CD1-CG 3.76Å; V689-L791 CarbonylContact O-C 3.57Å; V689-L791 VanDerWaalsContact O-CA 3.31Å; V689-L791 WeakPolarHBondContact O-CA 3.22Å; V690-L791 HydrophobicContact CG2-CD1 4.17Å; V690-L791 HydrophobicContact CG2-CG 4.33Å; L760-L791 HydrophobicContact CD1-CD1 3.73Å; L764-L791 HydrophobicContact CD1-CD2 4.49Å; L764-L791 HydrophobicContact CD2-CD1 4.11Å; I788-L791 HydrophobicContact CD1-CD1 4.25Å; I788-L791 HydrophobicContact CG2-CB 3.9Å; L791-V793 HydrophobicContact CD2-CG2 4.04Å
792	E	95.9	Very high	92.4	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.1	174.4	-68.5	178.1	157.8	0	0	111.1	S635 D636 L637 L661 Y663 V689 W794	S635-E792 WeakPolarHBondContact CA-OE1 3.22Å; S635-E792 VanDerWaalsContact OG-CD 3.31Å; S635-E792 PolarHBondContact OG-OE1 2.75Å; S635-E792 PolarHBondContact OG-OE2 3.16Å; D636-E792 PolarHBondContact N-OE1 2.89Å; L637-E792 HydrophobicContact CD1-CB 4.32Å; L637-E792 HydrophobicContact CD1-CG 3.73Å; L637-E792 HydrophobicContact CG-CG 4.03Å; L661-E792 HydrophobicContact CD1-CB 3.94Å; L661-E792 HydrophobicContact CD1-CG 3.98Å; Y663-E792 CarbonylContact O-C 3.59Å; Y663-E792 VanDerWaalsContact O-CA 3.32Å; Y663-E792 WeakPolarHBondContact O-CA 3.36Å; V689-E792 HydrophobicContact CB-CB 4.27Å; V689-E792 PolarHBondContact N-O 3.43Å; V689-E792 PolarHBondContact O-N 2.99Å; E792-W794 WeakPolarHBondContact OE2-CZ2 3.41Å; E792-W794 PolarHBondContact OE2-NE1 3.27Å
793	V	95.8	Very high	92.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.4	167.1	-171.6	0	0	0	0	109.2	V662 Y663 L675 L679 V686 L687 L688 F706 L791	V662-V793 PolarHBondContact N-O 2.94Å; Y663-V793 PolarHBondContact N-O 2.84Å; Y663-V793 VanDerWaalsContact N-O 3.14Å; Y663-V793 PolarHBondContact O-N 3.25Å; L675-V793 HydrophobicContact CD1-CG2 3.85Å; L675-V793 HydrophobicContact CG-CG2 4.36Å; L679-V793 HydrophobicContact CD1-CG1 4.35Å; L679-V793 HydrophobicContact CD2-CG1 4.36Å; V686-V793 HydrophobicContact CB-CG1 3.9Å; V686-V793 HydrophobicContact CG1-CG1 4.42Å; V686-V793 HydrophobicContact CG2-CG1 4.32Å; L687-V793 WeakPolarHBondContact O-CA 3.39Å; L688-V793 HydrophobicContact CD1-CG2 4Å; F706-V793 HydrophobicContact CD2-CG1 4.34Å; F706-V793 HydrophobicContact CE2-CG1 4.18Å; L791-V793 HydrophobicContact CD2-CG2 4.04Å
794	W	94.4	Very high	93.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	150.2	179.4	-63.5	83.7	0	0	0	111	L631 D633 S635 W659 R660 L661 V686 L687 E792	L631-W794 HydrophobicContact CB-CZ3 4.41Å; L631-W794 HydrophobicContact CD2-CE3 4.43Å; L631-W794 HydrophobicContact CD2-CH2 4.02Å; L631-W794 HydrophobicContact CD2-CZ3 3.92Å; D633-W794 HydrophobicContact CB-CH2 4.05Å; D633-W794 HydrophobicContact CB-CZ3 4.03Å; D633-W794 VanDerWaalsContact O-CH2 3.31Å; D633-W794 WeakPolarHBondContact O-CH2 3.38Å; S635-W794 VanDerWaalsContact CB-CZ2 3.42Å; W659-W794 HydrophobicContact CB-CE3 3.9Å; W659-W794 HydrophobicContact CB-CZ3 4.35Å; W659-W794 HydrophobicContact CE3-CD2 4.44Å; W659-W794 HydrophobicContact CE3-CG 4.43Å; R660-W794 VanDerWaalsContact C-CE3 3.46Å; R660-W794 CarbonylContact O-C 3.41Å; R660-W794 WeakPolarHBondContact O-CA 3.2Å; L661-W794 HydrophobicContact CB-CE3 4.16Å; L661-W794 HydrophobicContact CB-CH2 3.88Å; L661-W794 HydrophobicContact CB-CZ2 4.26Å; L661-W794 HydrophobicContact CB-CZ3 3.84Å; L661-W794 HydrophobicContact CD1-CD2 4.15Å; L661-W794 HydrophobicContact CD1-CH2 4.2Å; L661-W794 HydrophobicContact CD1-CZ2 3.7Å; L661-W794 HydrophobicContact CG-CH2 4.45Å; L661-W794 HydrophobicContact CG-CZ2 4.4Å; V686-W794 CarbonylContact C-O 3.41Å; V686-W794 WeakPolarHBondContact CA-O 3.44Å; V686-W794 WeakPolarHBondContact CB-O 3.42Å; L687-W794 HydrophobicContact CB-CB 4.28Å; L687-W794 PolarHBondContact N-O 2.97Å; L687-W794 PolarHBondContact O-N 3.48Å; E792-W794 WeakPolarHBondContact OE2-CZ2 3.41Å; E792-W794 PolarHBondContact OE2-NE1 3.27Å
795	T	93.9	Very high	93.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	166	171.1	-167	0	0	0	0	110.5	R660 V662 V682 S684 E797	R660-T795 HydrophobicContact CB-CG2 3.92Å; R660-T795 HydrophobicContact CG-CG2 4.4Å; R660-T795 PolarHBondContact N-O 2.85Å; R660-T795 PolarHBondContact O-N 3.45Å; V662-T795 HydrophobicContact CG2-CG2 3.31Å; V682-T795 HydrophobicContact CG1-CG2 4.46Å; V682-T795 WeakPolarHBondContact CG1-OG1 3.37Å; S684-T795 WeakPolarHBondContact CB-OG1 3.27Å; T795-E797 HydrophobicContact CG2-CG 4.28Å; T795-E797 WeakPolarHBondContact CG2-OE1 3.17Å
796	F	90.9	Very high	93.3	Very high	5 Å²	5	25.9 Å²	25.9	2%	0.022	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.7	-177.8	-51.4	-81.3	0	0	0	109.8	L650 V654 L658 W659 S684 P685 L687 F701	L650-F796 HydrophobicContact CD1-CD1 4.49Å; L650-F796 HydrophobicContact CD1-CE1 3.47Å; L650-F796 VanDerWaalsContact CD1-CE1 3.47Å; L650-F796 HydrophobicContact CD1-CZ 3.64Å; L650-F796 HydrophobicContact CD2-CZ 3.95Å; L650-F796 HydrophobicContact CG-CZ 4.49Å; V654-F796 HydrophobicContact CB-CB 4.08Å; V654-F796 HydrophobicContact CB-CD1 4.07Å; V654-F796 HydrophobicContact CB-CD2 4.06Å; V654-F796 HydrophobicContact CB-CG 3.77Å; V654-F796 HydrophobicContact CG1-CB 4.04Å; V654-F796 HydrophobicContact CG1-CD2 3.87Å; V654-F796 HydrophobicContact CG1-CG 3.93Å; V654-F796 HydrophobicContact CG2-CD2 4.47Å; V654-F796 HydrophobicContact CG2-CG 4.47Å; L658-F796 WeakPolarHBondContact O-CA 3.46Å; W659-F796 AromaticContact CD1-CD1 3.94Å; W659-F796 AromaticContact CD1-CE1 3.89Å; W659-F796 HydrophobicContact CD2-CE1 4.07Å; W659-F796 AromaticContact CE2-CE1 3.81Å; W659-F796 HydrophobicContact CG-CD1 4.42Å; W659-F796 HydrophobicContact CG-CE1 4.16Å; W659-F796 HydrophobicContact CZ2-CE1 4.39Å; W659-F796 AromaticContact NE1-CE1 3.66Å; S684-F796 PolarHBondContact OG-O 2.92Å; P685-F796 HydrophobicContact CG-CD2 4.22Å; P685-F796 VanDerWaalsContact O-CD2 3.31Å; P685-F796 WeakPolarHBondContact O-CD2 3.47Å; L687-F796 HydrophobicContact CB-CE2 4.23Å; L687-F796 HydrophobicContact CB-CZ 3.91Å; L687-F796 HydrophobicContact CD2-CZ 4.47Å; F701-F796 HydrophobicContact CD2-CE2 4.17Å; F701-F796 HydrophobicContact CE2-CD2 4.44Å; F701-F796 AromaticContact CE2-CE2 3.72Å; F701-F796 HydrophobicContact CE2-CE2 3.72Å; F701-F796 HydrophobicContact CE2-CZ 4.33Å
797	E	78.9	Confident	93.2	Very high	118 Å²	118	27.5 Å²	27.5	55%	0.551	13%	0.133	S	C	*	.			trans	-134.8	0	-175.4	-75.9	173.9	-150.8	0	0	112.4	L658 R660 T795	L658-E797 PolarHBondContact N-O 3.02Å; L658-E797 PolarHBondContact O-N 3.39Å; R660-E797 VanDerWaalsContact CD-OE2 3.28Å; R660-E797 WeakPolarHBondContact CD-OE2 3.48Å; R660-E797 IonicContact CZ-OE1 2.63Å; R660-E797 IonicContact NE-OE2 3.98Å; R660-E797 IonicContact NH1-OE1 2.64Å; R660-E797 PolarHBondContact NH1-OE1 3.45Å; R660-E797 IonicContact NH1-OE2 2.72Å; R660-E797 PolarHBondContact NH1-OE2 2.96Å; T795-E797 HydrophobicContact CG2-CG 4.28Å; T795-E797 WeakPolarHBondContact CG2-OE1 3.17Å

Retrieved 797 of 797 residues in 925.4 ms (Link to these results)

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