A0A087YFY9_POEFO Loading...

Synaptotagmin-like protein 4

Modulates exocytosis of dense-core granules and secretion of hormones in the pancreas and the pituitary. Interacts with vesicles containing negatively charged phospholipids in a Ca(2+)-independent manner.

AlphaFold DB , UniProt , Accession A0A087YFY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 766 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	34.4	Very low	38.5	Very low	236 Å²	236	155.8 Å²	155.8	100%	1.163	78%	0.778	S	S	*	*				0	111.3	0	-65.6	161.1	175.1	0	0	106.3
2	V	35.1	Very low	38.1	Very low	127 Å²	127	157.7 Å²	157.7	77%	0.77	78%	0.778	S	S	*	*				87.7	127.2	50.1	173	0	0	0	0	111.8
3	R	33.5	Very low	37.7	Very low	228 Å²	228	155.2 Å²	155.2	86%	0.86	78%	0.777	S	S	*	*			trans	71.5	125.8	-179.4	-68.6	163.2	-171.1	175	2	114.5
4	I	34.8	Very low	37.6	Very low	153 Å²	153	153.4 Å²	153.4	79%	0.785	78%	0.778	S	S	*	*			cis	73	135	8.2	-107.5	177.9	0	0	0	114.7
5	P	65.7	Low	38.7	Very low	96 Å²	96	151.8 Å²	151.8	62%	0.623	78%	0.783	S	S	*	*			cis	-141.4	-152.8	-49.9	35.3	-11.7	0	0	0	111.6
6	Q	35.3	Very low	38.4	Very low	158 Å²	158	146.3 Å²	146.3	74%	0.738	78%	0.775	S	S	*	*			trans	74.2	149.7	168.8	-43.5	-173	30.1	0	0	116.6
7	G	34.5	Very low	38.3	Very low	68 Å²	68	148.6 Å²	148.6	70%	0.701	79%	0.786	S	S	*	*			cis	142.1	179.5	-7.8	0	0	0	0	0	113.5
8	R	37.3	Very low	37.9	Very low	198 Å²	198	143.9 Å²	143.9	75%	0.747	78%	0.779	S	S	*	*			trans	74.5	154	171	-66.4	170.7	165.5	-176.8	-2.4	115.1
9	K	37.3	Very low	37.7	Very low	150 Å²	150	142.5 Å²	142.5	65%	0.652	79%	0.788	S	S	*	*			cis	-165.3	142	5	-123.8	164.5	-174.3	178.6	0	111.1
10	K	38.3	Very low	37.4	Very low	180 Å²	180	138.7 Å²	138.7	78%	0.783	78%	0.783	S	S	*	*			trans	60.1	163.1	141.9	-71.2	-175.5	175.1	-164	0	118.3
11	T	36.8	Very low	37.3	Very low	120 Å²	120	144 Å²	144	74%	0.736	79%	0.791	S	S	*	*			cis	-156.6	-175.2	-9.7	18.1	0	0	0	0	106.8
12	K	33.9	Very low	37.3	Very low	178 Å²	178	139.4 Å²	139.4	77%	0.774	77%	0.771	S	S	*	*			cis	-179.1	160.1	39.4	-152.8	-177.5	-177.4	-175.2	0	111.8
13	T	32.6	Very low	37.3	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	77%	0.766	S	S	*	*			trans	68.7	133.8	150.6	22.4	0	0	0	0	124.3
14	T	36.8	Very low	37.2	Very low	130 Å²	130	134.9 Å²	134.9	80%	0.798	76%	0.758	S	S	*	*			trans	-83.1	-171.4	156.2	37.3	0	0	0	0	111
15	P	54.6	Low	37.1	Very low	130 Å²	130	134.6 Å²	134.6	84%	0.844	75%	0.754	S	S	*	*			cis	-131.9	-168.7	10.6	42.8	-22.8	0	0	0	114.8
16	G	33.2	Very low	35.4	Very low	64 Å²	64	134.1 Å²	134.1	66%	0.66	75%	0.752	S	S	*	*			cis	162.2	-177.3	-10.5	0	0	0	0	0	113.3
17	I	37.3	Very low	35.3	Very low	186 Å²	186	137 Å²	137	95%	0.954	76%	0.756	S	S	*	*			trans	70	137	170.8	-48.3	174.7	0	0	0	115.9
18	G	31.3	Very low	35	Very low	64 Å²	64	139.1 Å²	139.1	66%	0.66	76%	0.756	S	S	*	*			cis	169.4	160.9	-9.1	0	0	0	0	0	114.2
19	A	34.6	Very low	34.6	Very low	116 Å²	116	135.2 Å²	135.2	96%	0.959	75%	0.754	S	S	*	*			trans	58.2	145.7	169.6	0	0	0	0	0	120.2
20	G	30.8	Very low	34.3	Very low	67 Å²	67	138.5 Å²	138.5	69%	0.691	76%	0.763	S	S	*	*			cis	163.9	159.9	-11.7	0	0	0	0	0	114.6
21	R	35.5	Very low	33.9	Very low	249 Å²	249	136.1 Å²	136.1	94%	0.94	76%	0.762	S	S	*	*			trans	70.5	156.4	172.7	-56	-179.8	-174	-178.4	3.4	117.5
22	N	33.5	Very low	33.5	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	76%	0.764	S	S	*	*			cis	-167.1	176.4	-40.9	-153.5	-5.3	0	0	0	110
23	I	36.1	Very low	33.3	Very low	130 Å²	130	132.5 Å²	132.5	67%	0.667	76%	0.759	S	S	*	*			trans	75.5	106	150	-74.2	162.4	0	0	0	118.5
24	N	30.4	Very low	33.1	Very low	131 Å²	131	133.6 Å²	133.6	70%	0.701	76%	0.76	S	S	*	*				56.1	153.4	116.7	-82.4	-11	0	0	0	122
25	Q	32.9	Very low	32.7	Very low	146 Å²	146	132.9 Å²	132.9	68%	0.682	76%	0.76	S	S	*	*			cis	-176.6	167.1	-18	-145.4	-177.9	73.5	0	0	109.1
26	S	30.4	Very low	31.4	Very low	86 Å²	86	129.5 Å²	129.5	60%	0.601	75%	0.749	S	S	*	*			trans	67.9	160.2	147.6	-76	0	0	0	0	117.5
27	R	32.8	Very low	31.1	Very low	218 Å²	218	134.4 Å²	134.4	82%	0.823	76%	0.759	S	S	*	*			cis	-171.5	161.2	-14.7	-117.5	-178.4	152.5	-168.6	-3.6	109
28	V	29.2	Very low	30.7	Very low	113 Å²	113	131.3 Å²	131.3	69%	0.685	75%	0.749	S	S	*	*			trans	65.4	143.2	137.9	164.8	0	0	0	0	118.8
29	T	28.7	Very low	30.4	Very low	116 Å²	116	132.9 Å²	132.9	71%	0.712	75%	0.749	S	S	*	*			cis	-159.7	170.7	-14.2	27.2	0	0	0	0	111.7
30	R	30.3	Very low	30.1	Very low	220 Å²	220	133 Å²	133	83%	0.83	74%	0.738	S	S	*	*			trans	-30.7	151.3	152.2	-47.2	169.1	-179.5	166.4	-3.3	116.5
31	V	30.2	Very low	29.9	Very low	129 Å²	129	138.9 Å²	138.9	78%	0.782	75%	0.745	S	S	*	*				-157	132.1	116.4	-98.9	0	0	0	0	107.6
32	N	28.1	Very low	29.6	Very low	142 Å²	142	131.9 Å²	131.9	76%	0.759	73%	0.73	S	S	*	*				64.6	144	89.2	-58	17.3	0	0	0	113.4
33	A	30.4	Very low	29.3	Very low	81 Å²	81	131.6 Å²	131.6	67%	0.669	73%	0.728	S	S	*	*			cis	-151.1	167.3	11.4	0	0	0	0	0	114
34	D	28	Very low	29	Very low	148 Å²	148	135 Å²	135	79%	0.791	73%	0.733	S	S	*	*				5.3	154.9	128.6	-53.4	-65	0	0	0	119.6
35	S	29.4	Very low	29	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	73%	0.733	S	S	*	*			cis	-169.7	-170.8	-6.7	57.3	0	0	0	0	107.5
36	G	25.6	Very low	28.7	Very low	59 Å²	59	134.8 Å²	134.8	61%	0.608	74%	0.735	S	S	*	*			cis	161.8	174.6	-0.4	0	0	0	0	0	111.8
37	L	28.8	Very low	28.5	Very low	167 Å²	167	136.8 Å²	136.8	87%	0.874	74%	0.743	S	S	*	*			trans	65	167.1	169.1	-64	131.4	0	0	0	118.1
38	V	27	Very low	28.2	Very low	121 Å²	121	131 Å²	131	73%	0.733	74%	0.737	S	S	*	*				-173.3	169.1	-55.6	132.8	0	0	0	0	109.4
39	S	25.9	Very low	28	Very low	96 Å²	96	133.7 Å²	133.7	67%	0.671	74%	0.743	S	S	*	*			trans	73.2	120.3	178	-64.2	0	0	0	0	115.8
40	T	28.9	Very low	27.9	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.724	75%	0.745	S	S	*	*				66.1	115.9	58	72	0	0	0	0	115
41	F	25.3	Very low	27.8	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.842	75%	0.745	S	S	*	*				-167.4	172.1	111	-119.7	-96.2	0	0	0	111.8
42	T	29.1	Very low	28	Very low	101 Å²	101	130.3 Å²	130.3	62%	0.62	74%	0.74	S	S	*	*			trans	-102.6	169.3	-152.1	55.2	0	0	0	0	116.3
43	N	27.1	Very low	27.8	Very low	134 Å²	134	131.6 Å²	131.6	72%	0.717	75%	0.746	S	S	*	*				100.2	123.4	128.2	-94.1	-35.4	0	0	0	123.5
44	R	31.1	Very low	27.5	Very low	202 Å²	202	132.5 Å²	132.5	76%	0.762	75%	0.748	S	S	*	*			trans	86.8	116.8	132.6	-70.1	-159.7	166.6	-171.6	-5.9	123.7
45	L	28.9	Very low	27.8	Very low	135 Å²	135	137 Å²	137	71%	0.707	75%	0.753	S	S	*	*			trans	67.8	155.3	130.4	-81.8	65.9	0	0	0	118
46	L	27.1	Very low	27.7	Very low	137 Å²	137	137.6 Å²	137.6	72%	0.717	75%	0.754	S	S	*	*			cis	-160.3	155.6	1.2	-123.8	-176.5	0	0	0	109.4
47	V	26.6	Very low	27.7	Very low	128 Å²	128	139.9 Å²	139.9	78%	0.776	76%	0.761	S	S	*	*			trans	55.1	147.4	143.7	143.1	0	0	0	0	120.4
48	S	26.1	Very low	28	Very low	98 Å²	98	138.1 Å²	138.1	69%	0.685	76%	0.763	S	S	*	*			cis	-175.3	-167	-18.6	-168.6	0	0	0	0	109.2
49	M	26.1	Very low	28.2	Very low	168 Å²	168	136.6 Å²	136.6	83%	0.828	76%	0.758	S	S	*	*			trans	84	89	157.2	-47.6	-138.7	78.9	0	0	118.2
50	C	25.3	Very low	28.5	Very low	111 Å²	111	140.9 Å²	140.9	75%	0.75	77%	0.767	S	S	*	*			trans	-61.8	155.6	145.4	-44.9	0	0	0	0	110.5
51	H	27.8	Very low	28.7	Very low	180 Å²	180	143.1 Å²	143.1	83%	0.833	77%	0.774	S	S	*	*				-167.6	162.4	117.6	-104.7	67.7	0	0	0	112.1
52	P	34.9	Very low	29	Very low	104 Å²	104	139.9 Å²	139.9	68%	0.675	77%	0.77	S	S	*	*			trans	-114.3	156.6	-159.4	40.6	-32	0	0	0	115.9
53	L	24.1	Very low	29.1	Very low	168 Å²	168	143 Å²	143	88%	0.88	78%	0.782	S	S	*	*			trans	-153.3	153.1	160.5	-65.2	176.8	0	0	0	107.5
54	S	25.3	Very low	29.5	Very low	100 Å²	100	145.1 Å²	145.1	70%	0.699	79%	0.793	S	S	*	*			cis	-163.1	161.6	-21	-96.6	0	0	0	0	108.5
55	R	33.6	Very low	29.5	Very low	243 Å²	243	144.9 Å²	144.9	92%	0.917	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75.1	139.6	174.4	-71.9	-178.5	176.2	172.5	-1.8	112.2
56	P	27.6	Very low	29.7	Very low	127 Å²	127	146.3 Å²	146.3	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.1	166.5	153.2	-17.1	32.8	0	0	0	112.5
57	S	25.5	Very low	30	Very low	107 Å²	107	149 Å²	149	75%	0.748	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-95	167.2	-168	48	0	0	0	0	115.5	S59	S57-S59 PolarHBondContact O-N 3.35Å
58	S	34.8	Very low	30.2	Very low	130 Å²	130	151.6 Å²	151.6	91%	0.909	82%	0.823	S	S	*	*	S	Bend	trans	-92.7	70.5	-168.7	57.3	0	0	0	0	114.1
59	S	31.2	Very low	30.9	Very low	89 Å²	89	152.9 Å²	152.9	62%	0.622	83%	0.829	S	S	*	*			trans	-133.3	-3.8	-175.9	50.9	0	0	0	0	116.9	S57	S57-S59 PolarHBondContact O-N 3.35Å
60	E	32	Very low	31.3	Very low	186 Å²	186	153.6 Å²	153.6	87%	0.869	83%	0.83	S	S	*	*	S	Bend	trans	-127	55.9	-178.1	-66.3	-178.8	109.8	0	0	111.8
61	L	33.8	Very low	32.1	Very low	166 Å²	166	150.8 Å²	150.8	87%	0.869	82%	0.815	S	S	*	*			trans	-143.6	35.5	179.7	-151.4	90	0	0	0	114.8
62	T	31.4	Very low	33.5	Very low	124 Å²	124	147.6 Å²	147.6	76%	0.761	81%	0.81	S	S	*	*			trans	-144.5	88.3	173.6	49.4	0	0	0	0	110.8
63	D	31.8	Very low	34.5	Very low	165 Å²	165	149.4 Å²	149.4	88%	0.882	81%	0.814	S	S	*	*	S	Bend	trans	-174.2	28.8	153.2	-96.6	-15.2	0	0	0	114.4
64	L	35.7	Very low	36.3	Very low	179 Å²	179	144.6 Å²	144.6	94%	0.937	79%	0.789	S	S	*	*			trans	-134.6	61.5	172.5	-76.6	176.8	0	0	0	110.7
65	K	30.3	Very low	38.5	Very low	198 Å²	198	143.4 Å²	143.4	86%	0.861	77%	0.774	S	S	*	*			trans	-146	44.5	-172.9	-149.9	-176.5	-178.7	177.7	0	116.2
66	D	31.9	Very low	40.4	Very low	165 Å²	165	138 Å²	138	88%	0.882	76%	0.764	S	S	*	*			trans	-150.2	92.3	159.7	-95.3	-40.1	0	0	0	111.1
67	M	34.2	Very low	42.6	Very low	193 Å²	193	133.1 Å²	133.1	95%	0.951	73%	0.73	S	S	*	*			trans	-171	84.5	153.6	-82.2	-133.8	101.7	0	0	108.5
68	M	32	Very low	44.9	Very low	183 Å²	183	130.9 Å²	130.9	90%	0.901	72%	0.724	S	S	*	*			trans	-127	134.8	168.3	-74.9	-173.3	66.3	0	0	109.7
69	P	39	Very low	47.1	Very low	125 Å²	125	131.9 Å²	131.9	81%	0.812	71%	0.712	S	S	*	*			trans	-74.4	147.2	175.4	30.6	-34	0	0	0	111.8
70	E	35.9	Very low	49.5	Very low	183 Å²	183	128.7 Å²	128.7	86%	0.855	69%	0.688	S	S	*	*			trans	-61.3	153.5	177	-81.6	-66	163.8	0	0	113.4
71	A	41.5	Very low	52.1	Low	52 Å²	52	122.1 Å²	122.1	43%	0.43	66%	0.663	S	S	.	*			trans	-109.9	133.7	-176.1	0	0	0	0	0	111.8
72	P	57	Low	54.4	Low	113 Å²	113	119.7 Å²	119.7	73%	0.734	65%	0.651	S	S	*	*	S	Bend	trans	-71.8	156.6	-175.3	30.2	-36.1	0	0	0	113.3
73	D	56.9	Low	56.9	Low	142 Å²	142	117.8 Å²	117.8	76%	0.759	64%	0.642	S	S	*	*			trans	45.1	70.7	166.9	-62.7	-4.2	0	0	0	115.9	L205	D73-L205 WeakPolarHBondContact O-CD1 3.43Å
74	L	61	Low	59.5	Low	67 Å²	67	114.3 Å²	114.3	35%	0.351	62%	0.621	S	S	.	*			trans	-100.4	140.7	153.9	-85.3	84.1	0	0	0	110.3	K212	L74-K212 HydrophobicContact CD2-CB 4.3Å; L74-K212 HydrophobicContact CD2-CD 3.51Å; L74-K212 HydrophobicContact CD2-CG 3.96Å
75	I	71.9	Confident	61.8	Low	74 Å²	74	107.8 Å²	107.8	38%	0.379	59%	0.586	S	S	.	*			trans	-77	127.4	166.5	-60.9	172.7	0	0	0	107.1	L77 L205 V206 S209	I75-L77 HydrophobicContact CB-CD2 4.44Å; I75-L77 HydrophobicContact CB-CG 4.33Å; I75-L77 HydrophobicContact CG2-CD2 3.63Å; I75-L77 HydrophobicContact CG2-CG 3.98Å; I75-L77 PolarHBondContact O-N 3.17Å; I75-L205 HydrophobicContact CD1-CD2 3.75Å; I75-L205 HydrophobicContact CD1-CG 3.83Å; I75-L205 HydrophobicContact CG1-CD2 4Å; I75-L205 HydrophobicContact CG1-CG 4Å; I75-V206 HydrophobicContact CD1-CG2 4.29Å; I75-S209 PolarHBondContact N-OG 3.34Å; I75-S209 VanDerWaalsContact N-OG 3.11Å; I75-S209 WeakPolarHBondContact O-CB 3.13Å
76	N	73	Confident	64.3	Low	130 Å²	130	105.1 Å²	105.1	70%	0.695	58%	0.576	S	S	*	*			trans	-70.5	105.3	171.9	-175.2	-6.2	0	0	0	109.4	G78 F79	N76-G78 PolarHBondContact OD1-N 2.67Å; N76-F79 WeakPolarHBondContact O-CD1 3.38Å; N76-F79 VanDerWaalsContact O-CE1 3.26Å; N76-F79 WeakPolarHBondContact O-CE1 3.25Å
77	L	74.8	Confident	67	Low	25 Å²	25	102.8 Å²	102.8	13%	0.131	56%	0.563	C	S	.	*			trans	-105	8.1	178.6	-64.7	179.2	0	0	0	112.7	I75 F79 L80 V206 L210	I75-L77 HydrophobicContact CB-CD2 4.44Å; I75-L77 HydrophobicContact CB-CG 4.33Å; I75-L77 HydrophobicContact CG2-CD2 3.63Å; I75-L77 HydrophobicContact CG2-CG 3.98Å; I75-L77 PolarHBondContact O-N 3.17Å; L77-F79 HydrophobicContact CD2-CE1 4.25Å; L77-F79 HydrophobicContact CD2-CZ 4.48Å; L77-F79 PolarHBondContact O-N 2.66Å; L77-L80 HydrophobicContact CB-CD1 4.15Å; L77-L80 HydrophobicContact CD2-CD1 4.08Å; L77-L80 WeakPolarHBondContact O-CB 3.17Å; L77-L80 PolarHBondContact O-N 3.43Å; L77-L80 VanDerWaalsContact O-N 3.1Å; L77-V206 HydrophobicContact CD1-CG1 4.04Å; L77-L210 HydrophobicContact CB-CD2 4.14Å; L77-L210 HydrophobicContact CD1-CD2 3.59Å; L77-L210 HydrophobicContact CD1-CG 3.64Å; L77-L210 HydrophobicContact CG-CD2 4.49Å
78	G	72.6	Confident	69.5	Low	59 Å²	59	96.1 Å²	96.1	61%	0.608	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	3.5	-178.2	0	0	0	0	0	115.4	N76	N76-G78 PolarHBondContact OD1-N 2.67Å
79	F	80.3	Confident	72	Confident	152 Å²	152	90.8 Å²	90.8	67%	0.667	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-13.9	171	68.2	-93.5	0	0	0	113.1	N76 L77	N76-F79 WeakPolarHBondContact O-CD1 3.38Å; N76-F79 VanDerWaalsContact O-CE1 3.26Å; N76-F79 WeakPolarHBondContact O-CE1 3.25Å; L77-F79 HydrophobicContact CD2-CE1 4.25Å; L77-F79 HydrophobicContact CD2-CZ 4.48Å; L77-F79 PolarHBondContact O-N 2.66Å
80	L	81.9	Confident	74.5	Confident	21 Å²	21	87 Å²	87	11%	0.11	48%	0.477	C	S	.	.	S	Bend	trans	-83	133.7	-179.4	-63.7	173.1	0	0	0	111.1	L77 E84 Q85 I88 L210	L77-L80 HydrophobicContact CB-CD1 4.15Å; L77-L80 HydrophobicContact CD2-CD1 4.08Å; L77-L80 WeakPolarHBondContact O-CB 3.17Å; L77-L80 PolarHBondContact O-N 3.43Å; L77-L80 VanDerWaalsContact O-N 3.1Å; L80-E84 HydrophobicContact CB-CB 4.21Å; L80-E84 HydrophobicContact CD2-CB 4.1Å; L80-Q85 HydrophobicContact CB-CG 3.74Å; L80-Q85 HydrophobicContact CD1-CG 4.37Å; L80-Q85 PolarHBondContact O-NE2 3.2Å; L80-I88 HydrophobicContact CD1-CD1 3.57Å; L80-I88 HydrophobicContact CD2-CD1 4.45Å; L80-L210 HydrophobicContact CD1-CD2 4.42Å
81	S	87.4	Confident	77.2	Confident	49 Å²	49	82.3 Å²	82.3	34%	0.343	46%	0.46	S	S	.	.			trans	-62.9	156.3	168.3	65.3	0	0	0	0	111.7	S83 E84 Q85	S81-S83 PolarHBondContact O-N 3.11Å; S81-S83 VanDerWaalsContact O-N 3.16Å; S81-S83 PolarHBondContact OG-OG 3.42Å; S81-E84 VanDerWaalsContact CB-OE2 3.26Å; S81-E84 WeakPolarHBondContact CB-OE2 3.32Å; S81-E84 PolarHBondContact N-OE2 3.14Å; S81-E84 PolarHBondContact O-N 2.97Å; S81-E84 WeakPolarHBondContact OG-CG 3.49Å; S81-E84 PolarHBondContact OG-N 3.21Å; S81-E84 PolarHBondContact OG-OE2 2.92Å; S81-Q85 WeakPolarHBondContact O-CG 3.32Å; S81-Q85 PolarHBondContact O-N 3.41Å
82	D	80.9	Confident	79.3	Confident	115 Å²	115	80.6 Å²	80.6	62%	0.615	44%	0.444	S	S	*	.	H	α-helix	trans	-54.6	-36.6	178.3	-68.7	-52.8	0	0	0	112.1	Q85 E86	D82-Q85 PolarHBondContact O-N 2.71Å; D82-E86 WeakPolarHBondContact O-CB 3.41Å; D82-E86 PolarHBondContact O-N 2.92Å
83	S	84.4	Confident	80.6	Confident	84 Å²	84	81.8 Å²	81.8	59%	0.587	43%	0.434	S	S	*	.	H	α-helix	trans	-65.5	-35.2	174.5	41.5	0	0	0	0	114.5	S81 L87	S81-S83 PolarHBondContact O-N 3.11Å; S81-S83 VanDerWaalsContact O-N 3.16Å; S81-S83 PolarHBondContact OG-OG 3.42Å; S83-L87 WeakPolarHBondContact O-CB 3.36Å; S83-L87 PolarHBondContact O-N 3.43Å; S83-L87 VanDerWaalsContact O-N 3.09Å
84	E	86.5	Confident	82.2	Confident	91 Å²	91	81.4 Å²	81.4	43%	0.425	42%	0.422	S	S	.	.	H	α-helix	trans	-75.4	-37.9	175.1	-70.9	163.3	113.1	0	0	111	L80 S81 L87 I88	L80-E84 HydrophobicContact CB-CB 4.21Å; L80-E84 HydrophobicContact CD2-CB 4.1Å; S81-E84 VanDerWaalsContact CB-OE2 3.26Å; S81-E84 WeakPolarHBondContact CB-OE2 3.32Å; S81-E84 PolarHBondContact N-OE2 3.14Å; S81-E84 PolarHBondContact O-N 2.97Å; S81-E84 WeakPolarHBondContact OG-CG 3.49Å; S81-E84 PolarHBondContact OG-N 3.21Å; S81-E84 PolarHBondContact OG-OE2 2.92Å; E84-L87 PolarHBondContact O-N 2.61Å; E84-I88 WeakPolarHBondContact O-CD1 3.38Å; E84-I88 VanDerWaalsContact O-CG1 3.27Å; E84-I88 WeakPolarHBondContact O-CG1 3.45Å; E84-I88 PolarHBondContact O-N 2.89Å
85	Q	83.8	Confident	83.3	Confident	43 Å²	43	80.3 Å²	80.3	20%	0.201	42%	0.416	C	S	.	.	H	α-helix	trans	-61.3	-44.1	173.3	-64.3	-180	44.2	0	0	111	L80 S81 D82 I88 L89 L210	L80-Q85 HydrophobicContact CB-CG 3.74Å; L80-Q85 HydrophobicContact CD1-CG 4.37Å; L80-Q85 PolarHBondContact O-NE2 3.2Å; S81-Q85 WeakPolarHBondContact O-CG 3.32Å; S81-Q85 PolarHBondContact O-N 3.41Å; D82-Q85 PolarHBondContact O-N 2.71Å; Q85-I88 PolarHBondContact O-N 3.29Å; Q85-L89 VanDerWaalsContact O-CG 3.31Å; Q85-L89 WeakPolarHBondContact O-CG 3.34Å; Q85-L89 PolarHBondContact O-N 2.79Å; Q85-L210 HydrophobicContact CB-CD2 4.08Å; Q85-L210 HydrophobicContact CG-CD2 3.8Å
86	E	84.3	Confident	83.9	Confident	142 Å²	142	81.3 Å²	81.3	66%	0.664	42%	0.419	S	S	*	.	H	α-helix	trans	-64.9	-41.7	176.8	-174	151.1	-126.9	0	0	112.4	D82 I88 L89 E90	D82-E86 WeakPolarHBondContact O-CB 3.41Å; D82-E86 PolarHBondContact O-N 2.92Å; E86-I88 VanDerWaalsContact C-N 3.32Å; E86-I88 PolarHBondContact O-N 3.36Å; E86-L89 PolarHBondContact O-N 3.17Å; E86-E90 WeakPolarHBondContact O-CB 3.4Å; E86-E90 PolarHBondContact O-N 3.11Å
87	L	88.5	Confident	84.6	Confident	115 Å²	115	81.2 Å²	81.2	60%	0.602	42%	0.415	S	S	*	.	H	α-helix	trans	-60.2	-39.7	173.4	-177.6	62.7	0	0	0	112.4	S83 E84 E90 V91	S83-L87 WeakPolarHBondContact O-CB 3.36Å; S83-L87 PolarHBondContact O-N 3.43Å; S83-L87 VanDerWaalsContact O-N 3.09Å; E84-L87 PolarHBondContact O-N 2.61Å; L87-E90 WeakPolarHBondContact O-CB 3.32Å; L87-E90 PolarHBondContact O-N 3.46Å; L87-V91 WeakPolarHBondContact O-CG2 3.2Å; L87-V91 PolarHBondContact O-N 3.05Å
88	I	86.9	Confident	85	Confident	53 Å²	53	85.9 Å²	85.9	27%	0.272	44%	0.439	S	S	.	.	H	α-helix	trans	-70.8	-39.6	176.8	-66.1	160.1	0	0	0	111.1	L80 E84 Q85 E86 E90 V91 L92 V206 L210	L80-I88 HydrophobicContact CD1-CD1 3.57Å; L80-I88 HydrophobicContact CD2-CD1 4.45Å; E84-I88 WeakPolarHBondContact O-CD1 3.38Å; E84-I88 VanDerWaalsContact O-CG1 3.27Å; E84-I88 WeakPolarHBondContact O-CG1 3.45Å; E84-I88 PolarHBondContact O-N 2.89Å; Q85-I88 PolarHBondContact O-N 3.29Å; E86-I88 VanDerWaalsContact C-N 3.32Å; E86-I88 PolarHBondContact O-N 3.36Å; I88-E90 VanDerWaalsContact C-N 3.3Å; I88-E90 PolarHBondContact O-N 3.4Å; I88-V91 PolarHBondContact O-N 3.05Å; I88-L92 HydrophobicContact CG2-CD1 4.01Å; I88-L92 HydrophobicContact CG2-CG 4.34Å; I88-L92 WeakPolarHBondContact O-CB 3.21Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.28Å; I88-L92 PolarHBondContact O-N 2.86Å; I88-V206 HydrophobicContact CG2-CG1 3.78Å; I88-L210 HydrophobicContact CB-CD1 4.15Å; I88-L210 HydrophobicContact CG2-CD1 3.69Å
89	L	84.5	Confident	85.5	Confident	71 Å²	71	87.7 Å²	87.7	37%	0.372	43%	0.428	S	S	.	.	H	α-helix	trans	-62.5	-37.1	174.1	-71.4	171.4	0	0	0	112.1	Q85 E86 L92 R93 L210	Q85-L89 VanDerWaalsContact O-CG 3.31Å; Q85-L89 WeakPolarHBondContact O-CG 3.34Å; Q85-L89 PolarHBondContact O-N 2.79Å; E86-L89 PolarHBondContact O-N 3.17Å; L89-L92 PolarHBondContact O-N 2.99Å; L89-R93 PolarHBondContact O-N 3.33Å; L89-L210 HydrophobicContact CD2-CB 4.3Å; L89-L210 HydrophobicContact CD2-CD1 3.92Å; L89-L210 HydrophobicContact CG-CD1 4.03Å
90	E	90.6	Very high	85.4	Confident	47 Å²	47	83 Å²	83	22%	0.22	41%	0.411	C	S	.	.	H	α-helix	trans	-63.7	-46.8	173.3	-178.4	64.1	-144.8	0	0	111.7	E86 L87 I88 L92 R93 R94	E86-E90 WeakPolarHBondContact O-CB 3.4Å; E86-E90 PolarHBondContact O-N 3.11Å; L87-E90 WeakPolarHBondContact O-CB 3.32Å; L87-E90 PolarHBondContact O-N 3.46Å; I88-E90 VanDerWaalsContact C-N 3.3Å; I88-E90 PolarHBondContact O-N 3.4Å; E90-L92 PolarHBondContact O-N 2.9Å; E90-R93 VanDerWaalsContact CD-NH1 3.27Å; E90-R93 PolarHBondContact O-N 3.13Å; E90-R93 IonicContact OE1-NH1 3.92Å; E90-R93 PolarHBondContact OE1-NH1 2.59Å; E90-R93 IonicContact OE2-CZ 3.12Å; E90-R93 IonicContact OE2-NH1 3.52Å; E90-R93 PolarHBondContact OE2-NH1 3.39Å; E90-R93 IonicContact OE2-NH2 2.65Å; E90-R93 PolarHBondContact OE2-NH2 3.3Å; E90-R94 VanDerWaalsContact CD-NH2 3.26Å; E90-R94 VanDerWaalsContact CG-CZ 3.48Å; E90-R94 WeakPolarHBondContact O-CG 3.25Å; E90-R94 PolarHBondContact O-N 3.43Å; E90-R94 VanDerWaalsContact O-N 3.12Å; E90-R94 IonicContact OE1-CZ 3.27Å; E90-R94 IonicContact OE1-NE 2.69Å; E90-R94 PolarHBondContact OE1-NE 3.12Å; E90-R94 IonicContact OE1-NH2 3.7Å; E90-R94 PolarHBondContact OE1-NH2 3.19Å
91	V	92	Very high	85.7	Confident	83 Å²	83	85.8 Å²	85.8	50%	0.503	43%	0.429	S	S	.	.	H	α-helix	trans	-61.3	-44	174.9	170.3	0	0	0	0	111.4	L87 I88 R93 R94 D95	L87-V91 WeakPolarHBondContact O-CG2 3.2Å; L87-V91 PolarHBondContact O-N 3.05Å; I88-V91 PolarHBondContact O-N 3.05Å; V91-R93 VanDerWaalsContact C-N 3.29Å; V91-R93 PolarHBondContact O-N 3.41Å; V91-R94 PolarHBondContact O-N 3.21Å; V91-D95 WeakPolarHBondContact O-CB 3.45Å; V91-D95 PolarHBondContact O-N 2.96Å
92	L	85.9	Confident	85.5	Confident	16 Å²	16	86.8 Å²	86.8	8%	0.084	43%	0.428	C	S	.	.	H	α-helix	trans	-61.8	-35.2	176.4	-72.7	169.8	0	0	0	112.4	I88 L89 E90 E96 H203 V206 R207 L210	I88-L92 HydrophobicContact CG2-CD1 4.01Å; I88-L92 HydrophobicContact CG2-CG 4.34Å; I88-L92 WeakPolarHBondContact O-CB 3.21Å; I88-L92 VanDerWaalsContact O-CG 3.26Å; I88-L92 WeakPolarHBondContact O-CG 3.28Å; I88-L92 PolarHBondContact O-N 2.86Å; L89-L92 PolarHBondContact O-N 2.99Å; E90-L92 PolarHBondContact O-N 2.9Å; L92-E96 VanDerWaalsContact O-CB 3.28Å; L92-E96 WeakPolarHBondContact O-CB 3.41Å; L92-E96 PolarHBondContact O-N 3.38Å; L92-H203 HydrophobicContact CD2-CB 3.68Å; L92-V206 HydrophobicContact CD1-CG1 4.08Å; L92-R207 HydrophobicContact CD1-CB 4.21Å; L92-L210 HydrophobicContact CD1-CD1 4.32Å
93	R	85.3	Confident	85.3	Confident	138 Å²	138	85.6 Å²	85.6	52%	0.521	42%	0.422	S	S	.	.	H	α-helix	trans	-68.4	-41.1	176.8	-154.5	-167	-44.9	117	11.4	111.8	L89 E90 V91 E96 E97	L89-R93 PolarHBondContact O-N 3.33Å; E90-R93 VanDerWaalsContact CD-NH1 3.27Å; E90-R93 PolarHBondContact O-N 3.13Å; E90-R93 IonicContact OE1-NH1 3.92Å; E90-R93 PolarHBondContact OE1-NH1 2.59Å; E90-R93 IonicContact OE2-CZ 3.12Å; E90-R93 IonicContact OE2-NH1 3.52Å; E90-R93 PolarHBondContact OE2-NH1 3.39Å; E90-R93 IonicContact OE2-NH2 2.65Å; E90-R93 PolarHBondContact OE2-NH2 3.3Å; V91-R93 VanDerWaalsContact C-N 3.29Å; V91-R93 PolarHBondContact O-N 3.41Å; R93-E96 PolarHBondContact O-N 2.99Å; R93-E97 WeakPolarHBondContact O-CB 3.25Å; R93-E97 PolarHBondContact O-N 2.98Å
94	R	89.5	Confident	85.4	Confident	135 Å²	135	87.2 Å²	87.2	51%	0.509	42%	0.419	S	S	.	.	H	α-helix	trans	-69.6	-39.8	177	-64.9	171.9	-167.7	174.4	0.3	112	E90 V91 E97 L98	E90-R94 VanDerWaalsContact CD-NH2 3.26Å; E90-R94 VanDerWaalsContact CG-CZ 3.48Å; E90-R94 WeakPolarHBondContact O-CG 3.25Å; E90-R94 PolarHBondContact O-N 3.43Å; E90-R94 VanDerWaalsContact O-N 3.12Å; E90-R94 IonicContact OE1-CZ 3.27Å; E90-R94 IonicContact OE1-NE 2.69Å; E90-R94 PolarHBondContact OE1-NE 3.12Å; E90-R94 IonicContact OE1-NH2 3.7Å; E90-R94 PolarHBondContact OE1-NH2 3.19Å; V91-R94 PolarHBondContact O-N 3.21Å; R94-E97 PolarHBondContact O-N 3.07Å; R94-L98 WeakPolarHBondContact O-CB 3.48Å; R94-L98 VanDerWaalsContact O-CG 3.24Å; R94-L98 WeakPolarHBondContact O-CG 3.16Å; R94-L98 PolarHBondContact O-N 2.87Å
95	D	85.1	Confident	85.6	Confident	43 Å²	43	87.5 Å²	87.5	23%	0.23	42%	0.416	C	S	.	.	H	α-helix	trans	-60.8	-43.6	171.6	171.6	57.8	0	0	0	111.6	V91 R99 H203	V91-D95 WeakPolarHBondContact O-CB 3.45Å; V91-D95 PolarHBondContact O-N 2.96Å; D95-R99 VanDerWaalsContact CG-NE 3.33Å; D95-R99 WeakPolarHBondContact O-CB 3.48Å; D95-R99 WeakPolarHBondContact O-CG 3.35Å; D95-R99 PolarHBondContact O-N 2.82Å; D95-R99 IonicContact OD1-CZ 3.1Å; D95-R99 IonicContact OD1-NE 2.63Å; D95-R99 PolarHBondContact OD1-NE 3.19Å; D95-R99 IonicContact OD1-NH2 3.94Å; D95-R99 PolarHBondContact OD1-NH2 3.21Å; D95-R99 IonicContact OD2-CZ 2.67Å; D95-R99 IonicContact OD2-NE 3.69Å; D95-R99 PolarHBondContact OD2-NE 2.79Å; D95-R99 IonicContact OD2-NH1 2.63Å; D95-R99 IonicContact OD2-NH2 2.7Å; D95-R99 PolarHBondContact OD2-NH2 2.88Å; D95-H203 IonicContact OD2-CD2 3.36Å; D95-H203 PolarHBondContact OD2-CD2 2.69Å; D95-H203 IonicContact OD2-CG 2.71Å
96	E	83.4	Confident	85.5	Confident	96 Å²	96	86.3 Å²	86.3	45%	0.449	41%	0.411	S	S	.	.	H	α-helix	trans	-62.3	-47.2	173.7	-172.6	164.3	-175.3	0	0	112	L92 R93 R99 T100 R207	L92-E96 VanDerWaalsContact O-CB 3.28Å; L92-E96 WeakPolarHBondContact O-CB 3.41Å; L92-E96 PolarHBondContact O-N 3.38Å; R93-E96 PolarHBondContact O-N 2.99Å; E96-R99 PolarHBondContact O-N 3.07Å; E96-T100 WeakPolarHBondContact O-CG2 3.36Å; E96-T100 PolarHBondContact O-N 3.4Å; E96-R207 VanDerWaalsContact CD-NH2 3.28Å; E96-R207 IonicContact OE2-CZ 2.72Å; E96-R207 IonicContact OE2-NE 3.13Å; E96-R207 IonicContact OE2-NH2 3.41Å; E96-R207 PolarHBondContact OE2-NH2 2.91Å
97	E	88.7	Confident	85.4	Confident	128 Å²	128	86.6 Å²	86.6	60%	0.598	41%	0.406	S	S	*	.	H	α-helix	trans	-59.3	-51.8	176.9	-179.4	170.2	-157.5	0	0	112.3	R93 R94 R99 T100 V101	R93-E97 WeakPolarHBondContact O-CB 3.25Å; R93-E97 PolarHBondContact O-N 2.98Å; R94-E97 PolarHBondContact O-N 3.07Å; E97-R99 VanDerWaalsContact C-N 3.28Å; E97-R99 PolarHBondContact O-N 3.18Å; E97-T100 WeakPolarHBondContact O-CA 3.46Å; E97-T100 PolarHBondContact O-N 3.17Å; E97-T100 PolarHBondContact O-OG1 2.78Å; E97-V101 WeakPolarHBondContact O-CG2 3.3Å; E97-V101 PolarHBondContact O-N 3.26Å
98	L	83.4	Confident	85.3	Confident	123 Å²	123	88 Å²	88	64%	0.644	41%	0.408	S	S	*	.	H	α-helix	trans	-56.8	-41.3	177.4	-74.6	169.7	0	0	0	111.5	R94 V101 E102	R94-L98 WeakPolarHBondContact O-CB 3.48Å; R94-L98 VanDerWaalsContact O-CG 3.24Å; R94-L98 WeakPolarHBondContact O-CG 3.16Å; R94-L98 PolarHBondContact O-N 2.87Å; L98-V101 PolarHBondContact O-N 3.23Å; L98-E102 WeakPolarHBondContact O-CB 3.44Å; L98-E102 PolarHBondContact O-N 3.16Å
99	R	81.3	Confident	85.2	Confident	97 Å²	97	85.7 Å²	85.7	37%	0.366	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-40.7	172.9	-71.8	172.2	-163.2	-161	9.3	112.1	D95 E96 E97 V101 E102 D103 H203	D95-R99 VanDerWaalsContact CG-NE 3.33Å; D95-R99 WeakPolarHBondContact O-CB 3.48Å; D95-R99 WeakPolarHBondContact O-CG 3.35Å; D95-R99 PolarHBondContact O-N 2.82Å; D95-R99 IonicContact OD1-CZ 3.1Å; D95-R99 IonicContact OD1-NE 2.63Å; D95-R99 PolarHBondContact OD1-NE 3.19Å; D95-R99 IonicContact OD1-NH2 3.94Å; D95-R99 PolarHBondContact OD1-NH2 3.21Å; D95-R99 IonicContact OD2-CZ 2.67Å; D95-R99 IonicContact OD2-NE 3.69Å; D95-R99 PolarHBondContact OD2-NE 2.79Å; D95-R99 IonicContact OD2-NH1 2.63Å; D95-R99 IonicContact OD2-NH2 2.7Å; D95-R99 PolarHBondContact OD2-NH2 2.88Å; E96-R99 PolarHBondContact O-N 3.07Å; E97-R99 VanDerWaalsContact C-N 3.28Å; E97-R99 PolarHBondContact O-N 3.18Å; R99-V101 VanDerWaalsContact C-N 3.27Å; R99-V101 PolarHBondContact O-N 2.79Å; R99-E102 PolarHBondContact O-N 2.8Å; R99-D103 WeakPolarHBondContact O-CB 3.38Å; R99-D103 PolarHBondContact O-N 3.07Å; R99-H203 PolarHBondContact NH1-CD2 3.39Å; R99-H203 PolarHBondContact NH1-CE1 3.18Å; R99-H203 PolarHBondContact NH1-ND1 2.88Å; R99-H203 PolarHBondContact NH1-NE2 2.74Å
100	T	78.6	Confident	85.1	Confident	53 Å²	53	86.8 Å²	86.8	33%	0.325	40%	0.397	S	S	.	.	H	α-helix	trans	-63.7	-34.3	175.4	82.3	0	0	0	0	112.5	E96 E97 K104	E96-T100 WeakPolarHBondContact O-CG2 3.36Å; E96-T100 PolarHBondContact O-N 3.4Å; E97-T100 WeakPolarHBondContact O-CA 3.46Å; E97-T100 PolarHBondContact O-N 3.17Å; E97-T100 PolarHBondContact O-OG1 2.78Å; T100-K104 VanDerWaalsContact O-CD 3.23Å; T100-K104 WeakPolarHBondContact O-CD 3.29Å; T100-K104 WeakPolarHBondContact O-CG 3.36Å; T100-K104 PolarHBondContact O-N 2.91Å; T100-K104 PolarHBondContact OG1-NZ 3.05Å; T100-K104 VanDerWaalsContact OG1-NZ 3.16Å
101	V	88.3	Confident	84.7	Confident	80 Å²	80	87.8 Å²	87.8	49%	0.485	41%	0.409	S	S	.	.	H	α-helix	trans	-69.2	-45.7	176.1	173.6	0	0	0	0	110.4	E97 L98 R99 K104 R105	E97-V101 WeakPolarHBondContact O-CG2 3.3Å; E97-V101 PolarHBondContact O-N 3.26Å; L98-V101 PolarHBondContact O-N 3.23Å; R99-V101 VanDerWaalsContact C-N 3.27Å; R99-V101 PolarHBondContact O-N 2.79Å; V101-K104 WeakPolarHBondContact O-CB 3.43Å; V101-K104 PolarHBondContact O-N 3.4Å; V101-R105 PolarHBondContact O-N 3.3Å
102	E	83.4	Confident	84.4	Confident	70 Å²	70	86.5 Å²	86.5	33%	0.327	40%	0.398	S	S	.	.	H	α-helix	trans	-62.2	-44.3	175	177.8	56.8	-168.6	0	0	111.6	L98 R99 K104 R105 V106	L98-E102 WeakPolarHBondContact O-CB 3.44Å; L98-E102 PolarHBondContact O-N 3.16Å; R99-E102 PolarHBondContact O-N 2.8Å; E102-K104 VanDerWaalsContact C-N 3.3Å; E102-K104 PolarHBondContact O-N 2.84Å; E102-R105 VanDerWaalsContact CD-NH2 3.32Å; E102-R105 CarbonylContact O-C 3.49Å; E102-R105 WeakPolarHBondContact O-CA 3.32Å; E102-R105 WeakPolarHBondContact O-CB 3.29Å; E102-R105 PolarHBondContact O-N 3.11Å; E102-R105 IonicContact OE1-CZ 2.65Å; E102-R105 IonicContact OE1-NE 3.96Å; E102-R105 IonicContact OE1-NH2 2.75Å; E102-R105 PolarHBondContact OE1-NH2 2.65Å; E102-R105 IonicContact OE2-CZ 3.5Å; E102-R105 VanDerWaalsContact OE2-CZ 3.32Å; E102-R105 IonicContact OE2-NE 2.68Å; E102-R105 PolarHBondContact OE2-NE 2.62Å; E102-R105 IonicContact OE2-NH2 3.85Å; E102-R105 PolarHBondContact OE2-NH2 2.72Å; E102-R105 VanDerWaalsContact OE2-NH2 3.15Å; E102-V106 HydrophobicContact CG-CG2 4.22Å; E102-V106 WeakPolarHBondContact O-CB 3.39Å; E102-V106 VanDerWaalsContact O-CG2 3.28Å; E102-V106 WeakPolarHBondContact O-CG2 3.47Å; E102-V106 PolarHBondContact O-N 3Å; E102-V106 VanDerWaalsContact OE1-CG2 3.31Å; E102-V106 WeakPolarHBondContact OE1-CG2 3.23Å
103	D	76.4	Confident	84.3	Confident	90 Å²	90	86.6 Å²	86.6	48%	0.481	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-32.5	174.7	-85.8	-32	0	0	0	113	R99 R107	R99-D103 WeakPolarHBondContact O-CB 3.38Å; R99-D103 PolarHBondContact O-N 3.07Å; D103-R107 VanDerWaalsContact O-CB 3.24Å; D103-R107 WeakPolarHBondContact O-CB 3.38Å; D103-R107 VanDerWaalsContact O-CG 3.22Å; D103-R107 WeakPolarHBondContact O-CG 3.34Å; D103-R107 PolarHBondContact O-N 3Å; D103-R107 PolarHBondContact O-NE 3.11Å
104	K	87.5	Confident	84	Confident	118 Å²	118	84.7 Å²	84.7	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-65.4	-44.1	170.6	-71.5	156.3	-169.3	155.7	0	110	T100 V101 E102 R107 K108	T100-K104 VanDerWaalsContact O-CD 3.23Å; T100-K104 WeakPolarHBondContact O-CD 3.29Å; T100-K104 WeakPolarHBondContact O-CG 3.36Å; T100-K104 PolarHBondContact O-N 2.91Å; T100-K104 PolarHBondContact OG1-NZ 3.05Å; T100-K104 VanDerWaalsContact OG1-NZ 3.16Å; V101-K104 WeakPolarHBondContact O-CB 3.43Å; V101-K104 PolarHBondContact O-N 3.4Å; E102-K104 VanDerWaalsContact C-N 3.3Å; E102-K104 PolarHBondContact O-N 2.84Å; K104-R107 PolarHBondContact O-N 2.91Å; K104-K108 PolarHBondContact O-N 3.49Å
105	R	90.4	Very high	83.7	Confident	97 Å²	97	82.3 Å²	82.3	37%	0.366	39%	0.393	S	S	.	.	H	α-helix	trans	-62.9	-50.4	177	-167	-174	71.6	94.6	6.9	112	V101 E102 R107 K108 L109 R184	V101-R105 PolarHBondContact O-N 3.3Å; E102-R105 VanDerWaalsContact CD-NH2 3.32Å; E102-R105 CarbonylContact O-C 3.49Å; E102-R105 WeakPolarHBondContact O-CA 3.32Å; E102-R105 WeakPolarHBondContact O-CB 3.29Å; E102-R105 PolarHBondContact O-N 3.11Å; E102-R105 IonicContact OE1-CZ 2.65Å; E102-R105 IonicContact OE1-NE 3.96Å; E102-R105 IonicContact OE1-NH2 2.75Å; E102-R105 PolarHBondContact OE1-NH2 2.65Å; E102-R105 IonicContact OE2-CZ 3.5Å; E102-R105 VanDerWaalsContact OE2-CZ 3.32Å; E102-R105 IonicContact OE2-NE 2.68Å; E102-R105 PolarHBondContact OE2-NE 2.62Å; E102-R105 IonicContact OE2-NH2 3.85Å; E102-R105 PolarHBondContact OE2-NH2 2.72Å; E102-R105 VanDerWaalsContact OE2-NH2 3.15Å; R105-R107 VanDerWaalsContact C-N 3.34Å; R105-R107 PolarHBondContact O-N 2.85Å; R105-K108 WeakPolarHBondContact O-CB 3.34Å; R105-K108 PolarHBondContact O-N 2.88Å; R105-L109 WeakPolarHBondContact O-CG 3.38Å; R105-L109 PolarHBondContact O-N 2.79Å; R105-R184 PolarHBondContact NH1-O 3.09Å; R105-R184 PolarHBondContact NH2-O 2.98Å
106	V	82.4	Confident	83.4	Confident	17 Å²	17	82.4 Å²	82.4	10%	0.103	40%	0.395	C	S	.	.	H	α-helix	trans	-60.5	-41.3	177.9	172.3	0	0	0	0	111.2	E102 L109 K110 T185	E102-V106 HydrophobicContact CG-CG2 4.22Å; E102-V106 WeakPolarHBondContact O-CB 3.39Å; E102-V106 VanDerWaalsContact O-CG2 3.28Å; E102-V106 WeakPolarHBondContact O-CG2 3.47Å; E102-V106 PolarHBondContact O-N 3Å; E102-V106 VanDerWaalsContact OE1-CG2 3.31Å; E102-V106 WeakPolarHBondContact OE1-CG2 3.23Å; V106-L109 PolarHBondContact O-N 2.9Å; V106-K110 HydrophobicContact CG1-CD 3.87Å; V106-K110 VanDerWaalsContact CG1-NZ 3.3Å; V106-K110 WeakPolarHBondContact O-CG 3.43Å; V106-K110 PolarHBondContact O-N 2.83Å; V106-T185 HydrophobicContact CG1-CG2 4.17Å; V106-T185 HydrophobicContact CG2-CG2 4.11Å
107	R	80.3	Confident	83.2	Confident	149 Å²	149	81.1 Å²	81.1	56%	0.562	39%	0.388	S	S	*	.	H	α-helix	trans	-62.2	-45.8	173.2	-80.7	178	-73	173	-9.3	112.2	D103 K104 R105 L109 K110 S111	D103-R107 VanDerWaalsContact O-CB 3.24Å; D103-R107 WeakPolarHBondContact O-CB 3.38Å; D103-R107 VanDerWaalsContact O-CG 3.22Å; D103-R107 WeakPolarHBondContact O-CG 3.34Å; D103-R107 PolarHBondContact O-N 3Å; D103-R107 PolarHBondContact O-NE 3.11Å; K104-R107 PolarHBondContact O-N 2.91Å; R105-R107 VanDerWaalsContact C-N 3.34Å; R105-R107 PolarHBondContact O-N 2.85Å; R107-L109 VanDerWaalsContact C-N 3.34Å; R107-L109 PolarHBondContact O-N 2.64Å; R107-K110 PolarHBondContact O-N 2.82Å; R107-S111 PolarHBondContact O-N 2.85Å; R107-S111 PolarHBondContact O-OG 3.08Å
108	K	87.9	Confident	82.5	Confident	145 Å²	145	82.8 Å²	82.8	63%	0.63	39%	0.389	S	S	*	.	H	α-helix	trans	-56.5	-47.3	176.2	-174.3	176.2	178.3	177.4	0	111.5	K104 R105 K110 S111 E112	K104-K108 PolarHBondContact O-N 3.49Å; R105-K108 WeakPolarHBondContact O-CB 3.34Å; R105-K108 PolarHBondContact O-N 2.88Å; K108-K110 PolarHBondContact O-N 2.82Å; K108-S111 PolarHBondContact O-N 3.22Å; K108-E112 WeakPolarHBondContact O-CG 3.41Å; K108-E112 PolarHBondContact O-N 2.62Å
109	L	84.2	Confident	81.9	Confident	4 Å²	4	84.2 Å²	84.2	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-61.1	-39.5	177	-66.9	178.5	0	0	0	113.3	R105 V106 R107 L113 V181 R184 T185	R105-L109 WeakPolarHBondContact O-CG 3.38Å; R105-L109 PolarHBondContact O-N 2.79Å; V106-L109 PolarHBondContact O-N 2.9Å; R107-L109 VanDerWaalsContact C-N 3.34Å; R107-L109 PolarHBondContact O-N 2.64Å; L109-L113 PolarHBondContact O-N 2.8Å; L109-V181 HydrophobicContact CB-CG1 4.26Å; L109-V181 HydrophobicContact CB-CG2 4.3Å; L109-R184 HydrophobicContact CD1-CB 3.98Å; L109-R184 VanDerWaalsContact CD2-NH1 3.26Å; L109-T185 HydrophobicContact CD1-CG2 3.99Å
110	K	81.4	Confident	80.9	Confident	93 Å²	93	80.2 Å²	80.2	40%	0.404	38%	0.379	S	S	.	.	H	α-helix	trans	-70.8	-36.1	176.7	-72.3	170.5	-179.4	169.4	0	111.5	V106 R107 K108 L113 L114	V106-K110 HydrophobicContact CG1-CD 3.87Å; V106-K110 VanDerWaalsContact CG1-NZ 3.3Å; V106-K110 WeakPolarHBondContact O-CG 3.43Å; V106-K110 PolarHBondContact O-N 2.83Å; R107-K110 PolarHBondContact O-N 2.82Å; K108-K110 PolarHBondContact O-N 2.82Å; K110-L113 PolarHBondContact O-N 2.63Å; K110-L114 WeakPolarHBondContact O-CG 3.39Å; K110-L114 PolarHBondContact O-N 2.69Å
111	S	83.8	Confident	79.9	Confident	68 Å²	68	80 Å²	80	48%	0.476	38%	0.382	S	S	.	.	H	α-helix	trans	-65.2	-42.7	172.7	-67.7	0	0	0	0	113.1	R107 K108 L113 L114 E115	R107-S111 PolarHBondContact O-N 2.85Å; R107-S111 PolarHBondContact O-OG 3.08Å; K108-S111 PolarHBondContact O-N 3.22Å; S111-L113 VanDerWaalsContact C-N 3.31Å; S111-L113 PolarHBondContact O-N 2.85Å; S111-L114 PolarHBondContact O-N 2.84Å; S111-E115 PolarHBondContact O-N 2.88Å
112	E	84.7	Confident	78.1	Confident	56 Å²	56	80.3 Å²	80.3	26%	0.262	38%	0.377	S	S	.	.	H	α-helix	trans	-56.4	-45.2	172.1	-72.9	173.6	-146.7	0	0	111.3	K108 L114 E115 V116 K177	K108-E112 WeakPolarHBondContact O-CG 3.41Å; K108-E112 PolarHBondContact O-N 2.62Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 3.05Å; E112-E115 WeakPolarHBondContact O-CB 3.38Å; E112-E115 PolarHBondContact O-N 3.25Å; E112-V116 WeakPolarHBondContact O-CG2 3.34Å; E112-V116 PolarHBondContact O-N 2.95Å; E112-K177 WeakPolarHBondContact OE2-CE 3.32Å; E112-K177 IonicContact OE2-NZ 2.7Å; E112-K177 PolarHBondContact OE2-NZ 2.86Å
113	L	84.4	Confident	76.5	Confident	18 Å²	18	88.3 Å²	88.3	9%	0.094	40%	0.404	C	S	.	.	H	α-helix	trans	-64.3	-38.2	177.8	-179.1	61.9	0	0	0	112.3	L109 K110 S111 E115 V116 K117 K177 E178 V181	L109-L113 PolarHBondContact O-N 2.8Å; K110-L113 PolarHBondContact O-N 2.63Å; S111-L113 VanDerWaalsContact C-N 3.31Å; S111-L113 PolarHBondContact O-N 2.85Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-V116 PolarHBondContact O-N 2.82Å; L113-K117 HydrophobicContact CG-CD 4.36Å; L113-K117 WeakPolarHBondContact O-CB 3.39Å; L113-K117 WeakPolarHBondContact O-CG 3.2Å; L113-K117 PolarHBondContact O-N 2.86Å; L113-K177 HydrophobicContact CD1-CB 4.11Å; L113-K177 HydrophobicContact CD1-CG 3.89Å; L113-E178 HydrophobicContact CD1-CB 4.04Å; L113-E178 HydrophobicContact CD2-CB 4.13Å; L113-E178 HydrophobicContact CD2-CG 4.05Å; L113-V181 HydrophobicContact CB-CG2 4.36Å
114	L	78.9	Confident	74.7	Confident	99 Å²	99	88 Å²	88	52%	0.518	42%	0.423	S	S	.	.	H	α-helix	trans	-68.9	-28.5	174.2	-71.6	172.5	0	0	0	112.8	K110 S111 E112 R118	K110-L114 WeakPolarHBondContact O-CG 3.39Å; K110-L114 PolarHBondContact O-N 2.69Å; S111-L114 PolarHBondContact O-N 2.84Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 3.05Å; L114-R118 WeakPolarHBondContact O-CB 3.29Å; L114-R118 VanDerWaalsContact O-CG 3.27Å; L114-R118 WeakPolarHBondContact O-CG 3.31Å; L114-R118 PolarHBondContact O-N 2.88Å; L114-R118 PolarHBondContact O-NE 2.83Å
115	E	82.8	Confident	73	Confident	84 Å²	84	86.3 Å²	86.3	39%	0.393	44%	0.439	S	S	.	.	H	α-helix	trans	-70.5	-47.2	171.3	-162.5	-165.8	128.1	0	0	111.9	S111 E112 L113 K117 R118 K119	S111-E115 PolarHBondContact O-N 2.88Å; E112-E115 WeakPolarHBondContact O-CB 3.38Å; E112-E115 PolarHBondContact O-N 3.25Å; L113-E115 VanDerWaalsContact C-N 3.32Å; E115-K117 VanDerWaalsContact C-N 3.27Å; E115-K117 PolarHBondContact O-N 3.43Å; E115-R118 PolarHBondContact O-N 2.98Å; E115-R118 VanDerWaalsContact O-N 3.12Å; E115-K119 HydrophobicContact CG-CD 4.38Å; E115-K119 PolarHBondContact O-N 2.66Å; E115-K119 WeakPolarHBondContact OE1-CE 3.37Å; E115-K119 IonicContact OE1-NZ 2.9Å; E115-K119 PolarHBondContact OE1-NZ 2.81Å
116	V	79.6	Confident	70.9	Confident	46 Å²	46	88.4 Å²	88.4	28%	0.279	45%	0.452	S	S	.	.	H	α-helix	trans	-61.8	-35.7	175.6	178.4	0	0	0	0	111.2	E112 L113 V174	E112-V116 WeakPolarHBondContact O-CG2 3.34Å; E112-V116 PolarHBondContact O-N 2.95Å; L113-V116 PolarHBondContact O-N 2.82Å; V116-V174 HydrophobicContact CG1-CG2 3.98Å
117	K	79.2	Confident	69.3	Low	68 Å²	68	93 Å²	93	30%	0.296	49%	0.485	S	S	.	.	H	α-helix	trans	-66.3	-42.8	171.8	-76.5	176.2	177.9	-177.8	0	112.6	L113 E115 G120 V174 E178	L113-K117 HydrophobicContact CG-CD 4.36Å; L113-K117 WeakPolarHBondContact O-CB 3.39Å; L113-K117 WeakPolarHBondContact O-CG 3.2Å; L113-K117 PolarHBondContact O-N 2.86Å; E115-K117 VanDerWaalsContact C-N 3.27Å; E115-K117 PolarHBondContact O-N 3.43Å; K117-G120 PolarHBondContact O-N 3.12Å; K117-V174 HydrophobicContact CD-CG1 4.22Å; K117-V174 HydrophobicContact CG-CG1 3.6Å; K117-V174 HydrophobicContact CG-CG2 4.17Å; K117-E178 WeakPolarHBondContact CE-OE2 3.5Å; K117-E178 IonicContact NZ-OE2 2.69Å; K117-E178 PolarHBondContact NZ-OE2 2.97Å
118	R	74.6	Confident	68.1	Low	163 Å²	163	92.4 Å²	92.4	62%	0.615	48%	0.484	S	S	*	.	H	α-helix	trans	-68	-38.8	177.5	-78.6	175.9	-66.1	153.9	1.2	113.2	L114 E115 G120 A121	L114-R118 WeakPolarHBondContact O-CB 3.29Å; L114-R118 VanDerWaalsContact O-CG 3.27Å; L114-R118 WeakPolarHBondContact O-CG 3.31Å; L114-R118 PolarHBondContact O-N 2.88Å; L114-R118 PolarHBondContact O-NE 2.83Å; E115-R118 PolarHBondContact O-N 2.98Å; E115-R118 VanDerWaalsContact O-N 3.12Å; R118-G120 PolarHBondContact O-N 3.33Å; R118-G120 VanDerWaalsContact O-N 3.11Å; R118-A121 PolarHBondContact O-N 3.05Å
119	K	69.6	Low	66.7	Low	154 Å²	154	87.7 Å²	87.7	67%	0.67	48%	0.476	S	S	*	.	H	α-helix	trans	-60	-19.8	178.4	-81.9	174.1	164.6	169.8	0	113.7	E115	E115-K119 HydrophobicContact CG-CD 4.38Å; E115-K119 PolarHBondContact O-N 2.66Å; E115-K119 WeakPolarHBondContact OE1-CE 3.37Å; E115-K119 IonicContact OE1-NZ 2.9Å; E115-K119 PolarHBondContact OE1-NZ 2.81Å
120	G	60.1	Low	65.4	Low	13 Å²	13	95.7 Å²	95.7	13%	0.134	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	0.4	174	0	0	0	0	0	116.3	K117 R118 R135 Q137	K117-G120 PolarHBondContact O-N 3.12Å; R118-G120 PolarHBondContact O-N 3.33Å; R118-G120 VanDerWaalsContact O-N 3.11Å; G120-R135 WeakPolarHBondContact CA-O 3.19Å; G120-Q137 PolarHBondContact O-NE2 3.14Å
121	A	58.2	Low	64.9	Low	47 Å²	47	98.7 Å²	98.7	39%	0.388	52%	0.522	S	S	.	.	S	Bend	trans	-93.4	139.3	178.3	0	0	0	0	0	111.2	R118 Q137	R118-A121 PolarHBondContact O-N 3.05Å; A121-Q137 PolarHBondContact O-NE2 3.33Å
122	K	49.9	Very low	64.6	Low	88 Å²	88	97.4 Å²	97.4	38%	0.383	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-77	132.7	-178.1	-163.2	161.5	-172.5	178.9	0	109.5	G124 E126 Q137	K122-G124 PolarHBondContact O-N 3.04Å; K122-E126 WeakPolarHBondContact CE-OE2 3.43Å; K122-E126 IonicContact NZ-OE2 3.15Å; K122-E126 PolarHBondContact NZ-OE2 2.72Å; K122-Q137 VanDerWaalsContact CB-OE1 3.28Å; K122-Q137 VanDerWaalsContact CG-OE1 3.23Å; K122-Q137 VanDerWaalsContact N-NE2 3.11Å
123	R	50.5	Low	64.4	Low	237 Å²	237	94.7 Å²	94.7	89%	0.894	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-67.1	131	167.5	-62.6	-172.1	-174.6	-161.1	3.4	107.1
124	G	39.3	Very low	64	Low	85 Å²	85	95 Å²	95	88%	0.876	51%	0.507	S	S	*	.	S	Bend	trans	-59.6	139.8	-164.4	0	0	0	0	0	113.9	K122	K122-G124 PolarHBondContact O-N 3.04Å
125	G	50.3	Low	64.2	Low	82 Å²	82	92.1 Å²	92.1	85%	0.845	49%	0.49	S	S	*	.	S	Bend	trans	160.3	-29.4	174.8	0	0	0	0	0	115.2
126	E	47.3	Very low	64	Low	141 Å²	141	90.3 Å²	90.3	66%	0.659	49%	0.486	S	S	*	.	S	Bend	trans	-129.2	143.9	-172.2	-65.6	-178.6	149.9	0	0	112.7	K122	K122-E126 WeakPolarHBondContact CE-OE2 3.43Å; K122-E126 IonicContact NZ-OE2 3.15Å; K122-E126 PolarHBondContact NZ-OE2 2.72Å
127	S	49.3	Very low	63.8	Low	112 Å²	112	91.3 Å²	91.3	78%	0.783	49%	0.487	S	S	*	.			trans	-69.8	162.2	-176.4	55.4	0	0	0	0	114.3	G129	S127-G129 PolarHBondContact O-N 2.82Å
128	Y	54.6	Low	63.6	Low	138 Å²	138	92.6 Å²	92.6	54%	0.541	50%	0.495	S	S	.	.			trans	-71.5	111.7	176.7	-89.1	-96.9	0	0	0	111.6	S427 L428	Y128-S427 WeakPolarHBondContact CE2-OG 3.43Å; Y128-L428 WeakPolarHBondContact OH-CD1 3.33Å; Y128-L428 VanDerWaalsContact OH-CG 3.29Å; Y128-L428 WeakPolarHBondContact OH-CG 3.33Å
129	G	57.2	Low	63.6	Low	45 Å²	45	90.1 Å²	90.1	46%	0.464	50%	0.5	S	S	.	.			trans	-78.9	123.4	161	0	0	0	0	0	110.5	S127 R131 S132	S127-G129 PolarHBondContact O-N 2.82Å; G129-R131 PolarHBondContact O-N 3.48Å; G129-S132 PolarHBondContact O-N 2.54Å; G129-S132 PolarHBondContact O-OG 2.86Å
130	E	58.7	Low	63.7	Low	173 Å²	173	85.1 Å²	85.1	81%	0.808	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-6.6	-179.9	-162.4	-175.1	-145	0	0	114.7
131	R	69.4	Low	64.1	Low	156 Å²	156	88.9 Å²	88.9	59%	0.589	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127	38.8	-172.5	-57	179.7	-174.3	-114.1	-2.8	112.3	G129 P139 L140	G129-R131 PolarHBondContact O-N 3.48Å; R131-P139 CarbonylContact O-C 3.51Å; R131-P139 WeakPolarHBondContact O-CA 3.42Å; R131-L140 PolarHBondContact O-N 2.85Å
132	S	77.5	Confident	64.1	Low	40 Å²	40	97.2 Å²	97.2	28%	0.28	53%	0.525	S	S	.	.	B	Isolated β-bridge	trans	-119.8	149.7	177.6	57.9	0	0	0	0	112.1	G129 G134 E138	G129-S132 PolarHBondContact O-N 2.54Å; G129-S132 PolarHBondContact O-OG 2.86Å; S132-G134 PolarHBondContact O-N 3.05Å; S132-E138 WeakPolarHBondContact CA-O 3.15Å
133	C	81.3	Confident	64.5	Low	0 Å²	0	100.9 Å²	100.9	0%	0	55%	0.549	C	S	.	.			trans	-71.4	120.6	177.3	176.1	0	0	0	0	111.2	R135 C136 Q137 E138 L140 C158	C133-R135 PolarHBondContact O-N 3Å; C133-C136 WeakPolarHBondContact CB-SG 2.92Å; C133-C136 PolarHBondContact SG-SG 3.43Å; C133-Q137 WeakPolarHBondContact O-CA 3.4Å; C133-Q137 PolarHBondContact O-N 2.81Å; C133-E138 PolarHBondContact N-O 2.83Å; C133-L140 HydrophobicContact CB-CD2 4.2Å; C133-C158 HydrophobicContact CB-CB 4.17Å; C133-C158 PolarHBondContact SG-N 3.41Å
134	G	75.4	Confident	64.6	Low	23 Å²	23	93 Å²	93	24%	0.237	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	22	177.2	0	0	0	0	0	115.7	S132 Y156	S132-G134 PolarHBondContact O-N 3.05Å; G134-Y156 PolarHBondContact N-O 3.43Å
135	R	82.8	Confident	65.1	Low	40 Å²	40	95.3 Å²	95.3	15%	0.151	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141	-36.6	-179	-64.1	-64.1	171	-117.9	10.5	114.5	G120 C133 C153 V157 C161 C172	G120-R135 WeakPolarHBondContact CA-O 3.19Å; C133-R135 PolarHBondContact O-N 3Å; R135-C153 PolarHBondContact NH2-SG 3.13Å; R135-C153 VanDerWaalsContact NH2-SG 3.42Å; R135-V157 HydrophobicContact CB-CG1 4.32Å; R135-V157 HydrophobicContact CG-CG1 3.97Å; R135-V157 HydrophobicContact CG-CG2 3.86Å; R135-C161 HydrophobicContact CB-CB 3.66Å; R135-C161 HydrophobicContact CG-CB 4.26Å; R135-C172 HydrophobicContact CG-CB 4.15Å; R135-C172 PolarHBondContact NE-SG 2.87Å; R135-C172 PolarHBondContact NH2-SG 2.8Å; R135-C172 VanDerWaalsContact NH2-SG 3.41Å
136	C	79	Confident	65.3	Low	46 Å²	46	99.4 Å²	99.4	31%	0.311	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-4.5	173.2	60.3	0	0	0	0	113.6	C133 E138 C158	C133-C136 WeakPolarHBondContact CB-SG 2.92Å; C133-C136 PolarHBondContact SG-SG 3.43Å; C136-E138 HydrophobicContact CB-CG 4.23Å; C136-E138 PolarHBondContact O-N 3.31Å; C136-E138 VanDerWaalsContact SG-CD 3.6Å; C136-E138 VanDerWaalsContact SG-CG 3.58Å; C136-E138 PolarHBondContact SG-OE2 2.94Å; C136-C158 PolarHBondContact SG-SG 3.01Å
137	Q	74.8	Confident	65.9	Low	66 Å²	66	97.9 Å²	97.9	31%	0.308	53%	0.526	S	S	.	.			trans	63.1	0.7	-179.6	-61.9	160.2	40.7	0	0	116.1	G120 A121 K122 C133	G120-Q137 PolarHBondContact O-NE2 3.14Å; A121-Q137 PolarHBondContact O-NE2 3.33Å; K122-Q137 VanDerWaalsContact CB-OE1 3.28Å; K122-Q137 VanDerWaalsContact CG-OE1 3.23Å; K122-Q137 VanDerWaalsContact N-NE2 3.11Å; C133-Q137 WeakPolarHBondContact O-CA 3.4Å; C133-Q137 PolarHBondContact O-N 2.81Å
138	E	75.4	Confident	66.8	Low	96 Å²	96	94.2 Å²	94.2	45%	0.449	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-53.1	140.5	169.7	-63.5	172.7	140.1	0	0	111.6	S132 C133 C136 C158	S132-E138 WeakPolarHBondContact CA-O 3.15Å; C133-E138 PolarHBondContact N-O 2.83Å; C136-E138 HydrophobicContact CB-CG 4.23Å; C136-E138 PolarHBondContact O-N 3.31Å; C136-E138 VanDerWaalsContact SG-CD 3.6Å; C136-E138 VanDerWaalsContact SG-CG 3.58Å; C136-E138 PolarHBondContact SG-OE2 2.94Å; E138-C158 PolarHBondContact OE2-SG 2.76Å
139	P	74.1	Confident	68.1	Low	111 Å²	111	91.4 Å²	91.4	72%	0.721	49%	0.49	S	S	*	.	B	Isolated β-bridge	trans	-68.6	137.2	176	28.9	-34.2	0	0	0	111.2	R131	R131-P139 CarbonylContact O-C 3.51Å; R131-P139 WeakPolarHBondContact O-CA 3.42Å
140	L	72.9	Confident	69.4	Low	49 Å²	49	89.3 Å²	89.3	26%	0.257	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-89.3	117.4	-179.8	-61.2	175.3	0	0	0	110.1	R131 C133 C158	R131-L140 PolarHBondContact O-N 2.85Å; C133-L140 HydrophobicContact CB-CD2 4.2Å; L140-C158 HydrophobicContact CD2-CB 3.79Å
141	S	67.6	Low	70.5	Confident	92 Å²	92	88.1 Å²	88.1	64%	0.643	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-57.5	136.9	-173.9	-55.1	0	0	0	0	113.6	L143 S144	S141-L143 PolarHBondContact O-N 2.9Å; S141-S144 PolarHBondContact O-N 3.43Å
142	R	58.9	Low	71	Confident	221 Å²	221	84.5 Å²	84.5	83%	0.834	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-14.4	-173.5	-65.9	-176.2	178.7	-174.5	-0.5	115.6
143	L	58.4	Low	71.1	Confident	166 Å²	166	83.4 Å²	83.4	87%	0.869	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.2	-175.7	-61.4	173.7	0	0	0	114.4	S141	S141-L143 PolarHBondContact O-N 2.9Å
144	S	53.1	Low	71.1	Confident	71 Å²	71	88.5 Å²	88.5	50%	0.497	47%	0.471	S	S	.	.			trans	-106.6	66.6	-173.6	-67.4	0	0	0	0	113.2	S141 F146	S141-S144 PolarHBondContact O-N 3.43Å; S144-F146 PolarHBondContact O-N 2.85Å
145	V	49.9	Very low	71.3	Confident	134 Å²	134	89.9 Å²	89.9	81%	0.812	47%	0.471	S	S	*	.			trans	-79.3	56	176.7	-164.3	0	0	0	0	111.4
146	F	53	Low	71.2	Confident	167 Å²	167	93.4 Å²	93.4	73%	0.732	49%	0.485	S	S	*	.	S	Bend	trans	-121.1	152.2	172.7	-66.1	-72.2	0	0	0	110.1	S144 N148	S144-F146 PolarHBondContact O-N 2.85Å; F146-N148 VanDerWaalsContact C-N 3.27Å; F146-N148 PolarHBondContact O-N 3.48Å; F146-N148 PolarHBondContact O-ND2 2.85Å
147	S	61.6	Low	71.4	Confident	109 Å²	109	91.2 Å²	91.2	76%	0.762	47%	0.47	S	S	*	.			trans	-73.2	66.9	-165.5	49.1	0	0	0	0	114.3	Q149	S147-Q149 PolarHBondContact O-N 3.27Å
148	N	67.9	Low	71.9	Confident	35 Å²	35	88.9 Å²	88.9	19%	0.187	46%	0.461	C	S	.	.			trans	-75	33.5	-179	-69	-68.9	0	0	0	114.2	F146 Y156 V157 Q162 W170	F146-N148 VanDerWaalsContact C-N 3.27Å; F146-N148 PolarHBondContact O-N 3.48Å; F146-N148 PolarHBondContact O-ND2 2.85Å; N148-Y156 CarbonylContact O-C 3.47Å; N148-Y156 VanDerWaalsContact O-CA 3.31Å; N148-Y156 WeakPolarHBondContact O-CA 3.37Å; N148-V157 PolarHBondContact O-N 2.82Å; N148-Q162 PolarHBondContact OD1-NE2 3.4Å; N148-W170 WeakPolarHBondContact O-CH2 3.18Å
149	Q	82.3	Confident	72.3	Confident	80 Å²	80	93.8 Å²	93.8	37%	0.374	48%	0.476	S	S	.	.	B	Isolated β-bridge	trans	-93.5	130.6	175.6	-69.7	-172.8	3	0	0	111.9	S147 K151 N154 H155 Y156 W170	S147-Q149 PolarHBondContact O-N 3.27Å; Q149-K151 PolarHBondContact O-N 3Å; Q149-N154 WeakPolarHBondContact CG-O 3.44Å; Q149-H155 WeakPolarHBondContact CA-O 3.2Å; Q149-Y156 HydrophobicContact CG-CD1 3.85Å; Q149-Y156 HydrophobicContact CG-CE1 3.62Å; Q149-Y156 HydrophobicContact CG-CE2 4.28Å; Q149-Y156 HydrophobicContact CG-CG 4.3Å; Q149-Y156 VanDerWaalsContact NE2-CZ 3.29Å; Q149-Y156 PolarHBondContact NE2-OH 3.14Å; Q149-W170 WeakPolarHBondContact O-CH2 3.19Å; Q149-W170 VanDerWaalsContact O-CZ2 3.26Å; Q149-W170 WeakPolarHBondContact O-CZ2 3.3Å
150	C	83.9	Confident	72.7	Confident	0 Å²	0	95.4 Å²	95.4	0%	0	48%	0.478	C	S	.	.			trans	-71	119.2	178.4	174.8	0	0	0	0	111.7	I152 C153 N154 H155 W170 C172	C150-I152 PolarHBondContact O-N 3.37Å; C150-C153 PolarHBondContact O-N 2.89Å; C150-C153 VanDerWaalsContact SG-SG 3.7Å; C150-N154 WeakPolarHBondContact O-CA 3.36Å; C150-N154 PolarHBondContact O-N 2.83Å; C150-H155 PolarHBondContact N-O 3.31Å; C150-W170 HydrophobicContact CB-CH2 4.23Å; C150-W170 HydrophobicContact CB-CZ3 4Å; C150-C172 HydrophobicContact CB-CB 3.94Å; C150-C172 PolarHBondContact SG-N 2.78Å; C150-C172 PolarHBondContact SG-SG 2.86Å
151	K	81.9	Confident	73.3	Confident	149 Å²	149	94.1 Å²	94.1	65%	0.648	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-11.6	-174.7	-61.1	-171.5	179.3	-172.6	0	117.1	Q149 L171	Q149-K151 PolarHBondContact O-N 3Å; K151-L171 HydrophobicContact CB-CD2 4.35Å
152	I	79.6	Confident	74.3	Confident	79 Å²	79	91.8 Å²	91.8	41%	0.405	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-28.4	179	-70.1	177.8	0	0	0	113.1	C150 L171 C175 T179	C150-I152 PolarHBondContact O-N 3.37Å; I152-L171 HydrophobicContact CB-CD2 4.28Å; I152-L171 HydrophobicContact CD1-CD1 3.65Å; I152-L171 HydrophobicContact CD1-CD2 3.6Å; I152-L171 HydrophobicContact CD1-CG 4.29Å; I152-L171 HydrophobicContact CG1-CD2 3.67Å; I152-C175 HydrophobicContact CB-CB 4.28Å; I152-C175 HydrophobicContact CD1-CB 4.45Å; I152-C175 HydrophobicContact CG2-CB 4.32Å; I152-T179 HydrophobicContact CD1-CG2 4.35Å
153	C	79.5	Confident	75.7	Confident	17 Å²	17	82.6 Å²	82.6	12%	0.115	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	5.8	-174.2	66.9	0	0	0	0	115.1	R135 C150 H155 C172 C175	R135-C153 PolarHBondContact NH2-SG 3.13Å; R135-C153 VanDerWaalsContact NH2-SG 3.42Å; C150-C153 PolarHBondContact O-N 2.89Å; C150-C153 VanDerWaalsContact SG-SG 3.7Å; C153-H155 PolarHBondContact O-N 3.36Å; C153-H155 PolarHBondContact O-ND1 2.71Å; C153-H155 PolarHBondContact SG-ND1 2.85Å; C153-H155 VanDerWaalsContact SG-ND1 3.4Å; C153-C172 VanDerWaalsContact SG-SG 3.65Å; C153-C175 PolarHBondContact SG-SG 3.42Å
154	N	80.3	Confident	77	Confident	107 Å²	107	80 Å²	80	57%	0.572	41%	0.414	S	S	*	.			trans	56.1	-4.5	174.2	-56.2	-4.3	0	0	0	117.3	Q149 C150	Q149-N154 WeakPolarHBondContact CG-O 3.44Å; C150-N154 WeakPolarHBondContact O-CA 3.36Å; C150-N154 PolarHBondContact O-N 2.83Å
155	H	79.6	Confident	78.6	Confident	52 Å²	52	78.5 Å²	78.5	24%	0.241	40%	0.4	C	S	.	.			trans	-57.2	140.5	171.8	-64.5	97.5	0	0	0	111.9	Q149 C150 C153 V157	Q149-H155 WeakPolarHBondContact CA-O 3.2Å; C150-H155 PolarHBondContact N-O 3.31Å; C153-H155 PolarHBondContact O-N 3.36Å; C153-H155 PolarHBondContact O-ND1 2.71Å; C153-H155 PolarHBondContact SG-ND1 2.85Å; C153-H155 VanDerWaalsContact SG-ND1 3.4Å; H155-V157 HydrophobicContact CB-CG2 4.37Å
156	Y	82.6	Confident	80.1	Confident	115 Å²	115	78.9 Å²	78.9	45%	0.451	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-71.1	134.1	166.9	-69.5	-82.5	0	0	0	111.2	G134 N148 Q149	G134-Y156 PolarHBondContact N-O 3.43Å; N148-Y156 CarbonylContact O-C 3.47Å; N148-Y156 VanDerWaalsContact O-CA 3.31Å; N148-Y156 WeakPolarHBondContact O-CA 3.37Å; Q149-Y156 HydrophobicContact CG-CD1 3.85Å; Q149-Y156 HydrophobicContact CG-CE1 3.62Å; Q149-Y156 HydrophobicContact CG-CE2 4.28Å; Q149-Y156 HydrophobicContact CG-CG 4.3Å; Q149-Y156 VanDerWaalsContact NE2-CZ 3.29Å; Q149-Y156 PolarHBondContact NE2-OH 3.14Å
157	V	82.9	Confident	81.4	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	40%	0.401	C	S	.	.			trans	-141.8	129.1	-172.3	-178.7	0	0	0	0	111.5	R135 N148 H155 C161 Q162 W170 C172	R135-V157 HydrophobicContact CB-CG1 4.32Å; R135-V157 HydrophobicContact CG-CG1 3.97Å; R135-V157 HydrophobicContact CG-CG2 3.86Å; N148-V157 PolarHBondContact O-N 2.82Å; H155-V157 HydrophobicContact CB-CG2 4.37Å; V157-C161 HydrophobicContact CG1-CB 3.3Å; V157-C161 WeakPolarHBondContact CG1-O 3.28Å; V157-Q162 HydrophobicContact CB-CG 4.48Å; V157-Q162 HydrophobicContact CG1-CG 4.11Å; V157-Q162 PolarHBondContact O-NE2 2.85Å; V157-W170 HydrophobicContact CB-CZ3 4.38Å; V157-C172 HydrophobicContact CB-CB 4.32Å; V157-C172 HydrophobicContact CG1-CB 4.01Å; V157-C172 HydrophobicContact CG2-CB 3.74Å
158	C	84.8	Confident	82.4	Confident	17 Å²	17	74.6 Å²	74.6	12%	0.115	40%	0.397	C	S	.	.			trans	-66.5	154.8	175.6	75.5	0	0	0	0	111.3	C133 C136 E138 L140 N160 C161 Q162	C133-C158 HydrophobicContact CB-CB 4.17Å; C133-C158 PolarHBondContact SG-N 3.41Å; C136-C158 PolarHBondContact SG-SG 3.01Å; E138-C158 PolarHBondContact OE2-SG 2.76Å; L140-C158 HydrophobicContact CD2-CB 3.79Å; C158-N160 PolarHBondContact O-N 3.41Å; C158-N160 VanDerWaalsContact O-N 3.12Å; C158-C161 PolarHBondContact O-N 3.41Å; C158-Q162 WeakPolarHBondContact O-CG 3.27Å; C158-Q162 PolarHBondContact O-N 3.01Å
159	R	83.3	Confident	83.2	Confident	199 Å²	199	74.1 Å²	74.1	75%	0.751	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-52	-39.6	-175.3	-68.7	-175.1	178.5	-175.4	0.1	113.2	C161 Q162	R159-C161 PolarHBondContact O-N 2.83Å; R159-C161 VanDerWaalsContact O-N 3.14Å; R159-Q162 WeakPolarHBondContact O-CB 3.48Å; R159-Q162 PolarHBondContact O-N 2.86Å
160	N	83.1	Confident	83.5	Confident	145 Å²	145	72.3 Å²	72.3	78%	0.775	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-64.4	-17.3	179.4	-58.2	-2.9	0	0	0	113.8	C158	C158-N160 PolarHBondContact O-N 3.41Å; C158-N160 VanDerWaalsContact O-N 3.12Å
161	C	85.8	Confident	83.8	Confident	21 Å²	21	72.9 Å²	72.9	14%	0.142	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-108.2	6.8	175.5	-75.7	0	0	0	0	113.3	R135 V157 C158 R159 C172 S173	R135-C161 HydrophobicContact CB-CB 3.66Å; R135-C161 HydrophobicContact CG-CB 4.26Å; V157-C161 HydrophobicContact CG1-CB 3.3Å; V157-C161 WeakPolarHBondContact CG1-O 3.28Å; C158-C161 PolarHBondContact O-N 3.41Å; R159-C161 PolarHBondContact O-N 2.83Å; R159-C161 VanDerWaalsContact O-N 3.14Å; C161-C172 CarbonylContact O-C 3.6Å; C161-C172 WeakPolarHBondContact O-CA 3.5Å; C161-S173 PolarHBondContact O-N 2.65Å
162	Q	87.8	Confident	84.1	Confident	43 Å²	43	65.8 Å²	65.8	20%	0.201	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.4	170.5	-55.9	-178.8	7.6	0	0	109.7	N148 V157 C158 R159 W170 L171	N148-Q162 PolarHBondContact OD1-NE2 3.4Å; V157-Q162 HydrophobicContact CB-CG 4.48Å; V157-Q162 HydrophobicContact CG1-CG 4.11Å; V157-Q162 PolarHBondContact O-NE2 2.85Å; C158-Q162 WeakPolarHBondContact O-CG 3.27Å; C158-Q162 PolarHBondContact O-N 3.01Å; R159-Q162 WeakPolarHBondContact O-CB 3.48Å; R159-Q162 PolarHBondContact O-N 2.86Å; Q162-W170 HydrophobicContact CB-CD2 4.23Å; Q162-W170 HydrophobicContact CB-CE3 3.69Å; Q162-W170 HydrophobicContact CB-CZ3 4.21Å; Q162-W170 HydrophobicContact CG-CD2 4.05Å; Q162-W170 HydrophobicContact CG-CE3 3.47Å; Q162-W170 VanDerWaalsContact CG-CE3 3.47Å; Q162-W170 HydrophobicContact CG-CH2 4.12Å; Q162-W170 HydrophobicContact CG-CZ3 3.52Å; Q162-L171 CarbonylContact C-O 3.58Å
163	A	88.2	Confident	84.5	Confident	29 Å²	29	63.9 Å²	63.9	24%	0.24	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.5	170.4	0	0	0	0	0	108.6	W170 L171 I176	A163-W170 CarbonylContact O-C 3.58Å; A163-W170 VanDerWaalsContact O-CA 3.26Å; A163-W170 WeakPolarHBondContact O-CA 3.41Å; A163-W170 WeakPolarHBondContact O-CB 3.29Å; A163-L171 PolarHBondContact N-O 3.05Å; A163-L171 PolarHBondContact O-N 3.15Å; A163-I176 HydrophobicContact CB-CB 4.17Å; A163-I176 HydrophobicContact CB-CG1 4.18Å; A163-I176 HydrophobicContact CB-CG2 3.78Å
164	V	86.9	Confident	84.9	Confident	112 Å²	112	63.4 Å²	63.4	68%	0.679	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	133	-179.9	-175.8	0	0	0	0	109.3	W170	V164-W170 HydrophobicContact CG2-CB 4.49Å
165	L	85.2	Confident	85.2	Confident	38 Å²	38	58.6 Å²	58.6	20%	0.199	32%	0.324	C	S	.	.			trans	-87.5	157.4	174.1	-71.6	167.3	0	0	0	110.4	N167 G168 S169 L171 I176	L165-N167 WeakPolarHBondContact CB-OD1 3.42Å; L165-N167 PolarHBondContact O-N 3.29Å; L165-G168 PolarHBondContact O-N 3.31Å; L165-S169 WeakPolarHBondContact CB-O 3.39Å; L165-S169 PolarHBondContact N-O 3.12Å; L165-L171 HydrophobicContact CD1-CD1 3.89Å; L165-L171 HydrophobicContact CD1-CG 3.99Å; L165-I176 HydrophobicContact CD2-CD1 3.5Å; L165-I176 VanDerWaalsContact CD2-CD1 3.5Å; L165-I176 HydrophobicContact CG-CD1 4.39Å
166	P	81.6	Confident	85.6	Confident	143 Å²	143	57.5 Å²	57.5	93%	0.929	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-15.2	178.7	-27.1	35.7	0	0	0	115.8
167	N	80.7	Confident	85.8	Confident	120 Å²	120	54.7 Å²	54.7	64%	0.642	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	14.8	176.4	69.4	-1.7	0	0	0	113.8	L165 S169	L165-N167 WeakPolarHBondContact CB-OD1 3.42Å; L165-N167 PolarHBondContact O-N 3.29Å; N167-S169 PolarHBondContact ND2-OG 3.34Å; N167-S169 PolarHBondContact O-N 3.43Å; N167-S169 VanDerWaalsContact O-N 3.1Å; N167-S169 WeakPolarHBondContact OD1-CB 3.36Å; N167-S169 PolarHBondContact OD1-N 2.55Å; N167-S169 VanDerWaalsContact OD1-N 3.11Å; N167-S169 PolarHBondContact OD1-OG 2.81Å
168	G	81.7	Confident	85.9	Confident	65 Å²	65	56.5 Å²	56.5	67%	0.67	32%	0.318	S	S	*	.	S	Bend	trans	72.4	-4.4	-179.6	0	0	0	0	0	115.4	L165	L165-G168 PolarHBondContact O-N 3.31Å
169	S	85.9	Confident	85.9	Confident	26 Å²	26	57.8 Å²	57.8	18%	0.182	33%	0.325	C	S	.	.			trans	-83.3	162.7	169.7	76.2	0	0	0	0	111.1	L165 N167	L165-S169 WeakPolarHBondContact CB-O 3.39Å; L165-S169 PolarHBondContact N-O 3.12Å; N167-S169 PolarHBondContact ND2-OG 3.34Å; N167-S169 PolarHBondContact O-N 3.43Å; N167-S169 VanDerWaalsContact O-N 3.1Å; N167-S169 WeakPolarHBondContact OD1-CB 3.36Å; N167-S169 PolarHBondContact OD1-N 2.55Å; N167-S169 VanDerWaalsContact OD1-N 3.11Å; N167-S169 PolarHBondContact OD1-OG 2.81Å
170	W	89	Confident	86.1	Confident	42 Å²	42	50.8 Å²	50.8	16%	0.159	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.7	-178.7	70.8	-94.7	0	0	0	112.3	N148 Q149 C150 V157 Q162 A163 V164	N148-W170 WeakPolarHBondContact O-CH2 3.18Å; Q149-W170 WeakPolarHBondContact O-CH2 3.19Å; Q149-W170 VanDerWaalsContact O-CZ2 3.26Å; Q149-W170 WeakPolarHBondContact O-CZ2 3.3Å; C150-W170 HydrophobicContact CB-CH2 4.23Å; C150-W170 HydrophobicContact CB-CZ3 4Å; V157-W170 HydrophobicContact CB-CZ3 4.38Å; Q162-W170 HydrophobicContact CB-CD2 4.23Å; Q162-W170 HydrophobicContact CB-CE3 3.69Å; Q162-W170 HydrophobicContact CB-CZ3 4.21Å; Q162-W170 HydrophobicContact CG-CD2 4.05Å; Q162-W170 HydrophobicContact CG-CE3 3.47Å; Q162-W170 VanDerWaalsContact CG-CE3 3.47Å; Q162-W170 HydrophobicContact CG-CH2 4.12Å; Q162-W170 HydrophobicContact CG-CZ3 3.52Å; A163-W170 CarbonylContact O-C 3.58Å; A163-W170 VanDerWaalsContact O-CA 3.26Å; A163-W170 WeakPolarHBondContact O-CA 3.41Å; A163-W170 WeakPolarHBondContact O-CB 3.29Å; V164-W170 HydrophobicContact CG2-CB 4.49Å
171	L	89.4	Confident	86.2	Confident	12 Å²	12	44.2 Å²	44.2	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.3	173.8	-66.3	177.1	0	0	0	109.9	K151 I152 Q162 A163 L165 C175 I176	K151-L171 HydrophobicContact CB-CD2 4.35Å; I152-L171 HydrophobicContact CB-CD2 4.28Å; I152-L171 HydrophobicContact CD1-CD1 3.65Å; I152-L171 HydrophobicContact CD1-CD2 3.6Å; I152-L171 HydrophobicContact CD1-CG 4.29Å; I152-L171 HydrophobicContact CG1-CD2 3.67Å; Q162-L171 CarbonylContact C-O 3.58Å; A163-L171 PolarHBondContact N-O 3.05Å; A163-L171 PolarHBondContact O-N 3.15Å; L165-L171 HydrophobicContact CD1-CD1 3.89Å; L165-L171 HydrophobicContact CD1-CG 3.99Å; L171-C175 HydrophobicContact CB-CB 4.38Å; L171-I176 HydrophobicContact CB-CB 4.45Å; L171-I176 HydrophobicContact CD1-CD1 4.46Å
172	C	88.5	Confident	86	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	155.1	173.3	71.6	0	0	0	0	112.3	R135 C150 C153 V157 C161 V174 C175 I176	R135-C172 HydrophobicContact CG-CB 4.15Å; R135-C172 PolarHBondContact NE-SG 2.87Å; R135-C172 PolarHBondContact NH2-SG 2.8Å; R135-C172 VanDerWaalsContact NH2-SG 3.41Å; C150-C172 HydrophobicContact CB-CB 3.94Å; C150-C172 PolarHBondContact SG-N 2.78Å; C150-C172 PolarHBondContact SG-SG 2.86Å; C153-C172 VanDerWaalsContact SG-SG 3.65Å; V157-C172 HydrophobicContact CB-CB 4.32Å; V157-C172 HydrophobicContact CG1-CB 4.01Å; V157-C172 HydrophobicContact CG2-CB 3.74Å; C161-C172 CarbonylContact O-C 3.6Å; C161-C172 WeakPolarHBondContact O-CA 3.5Å; C172-V174 VanDerWaalsContact C-N 3.25Å; C172-V174 PolarHBondContact O-N 3.2Å; C172-V174 VanDerWaalsContact O-N 3.09Å; C172-C175 PolarHBondContact O-N 3.1Å; C172-I176 PolarHBondContact O-N 3.46Å
173	S	87.6	Confident	85.8	Confident	39 Å²	39	50 Å²	50	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-44.3	-41.4	-179.1	55.9	0	0	0	0	115.3	C161 I176 K177	C161-S173 PolarHBondContact O-N 2.65Å; S173-I176 VanDerWaalsContact O-CG2 3.27Å; S173-I176 WeakPolarHBondContact O-CG2 3.3Å; S173-K177 WeakPolarHBondContact O-CB 3.23Å; S173-K177 PolarHBondContact O-N 2.99Å
174	V	87.7	Confident	85.5	Confident	6 Å²	6	55.3 Å²	55.3	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-67.9	-44.4	174.7	168.3	0	0	0	0	112.3	V116 K117 C172 E178	V116-V174 HydrophobicContact CG1-CG2 3.98Å; K117-V174 HydrophobicContact CD-CG1 4.22Å; K117-V174 HydrophobicContact CG-CG1 3.6Å; K117-V174 HydrophobicContact CG-CG2 4.17Å; C172-V174 VanDerWaalsContact C-N 3.25Å; C172-V174 PolarHBondContact O-N 3.2Å; C172-V174 VanDerWaalsContact O-N 3.09Å; V174-E178 VanDerWaalsContact O-CB 3.3Å; V174-E178 WeakPolarHBondContact O-CB 3.49Å; V174-E178 PolarHBondContact O-N 2.92Å
175	C	86.1	Confident	85.4	Confident	7 Å²	7	50.8 Å²	50.8	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-73.9	-35.7	-175.7	-70.6	0	0	0	0	112.3	I152 C153 L171 C172 E178 T179	I152-C175 HydrophobicContact CB-CB 4.28Å; I152-C175 HydrophobicContact CD1-CB 4.45Å; I152-C175 HydrophobicContact CG2-CB 4.32Å; C153-C175 PolarHBondContact SG-SG 3.42Å; L171-C175 HydrophobicContact CB-CB 4.38Å; C172-C175 PolarHBondContact O-N 3.1Å; C175-E178 PolarHBondContact O-N 2.85Å; C175-T179 PolarHBondContact O-N 3.04Å; C175-T179 PolarHBondContact O-OG1 3.1Å
176	I	88.5	Confident	85	Confident	29 Å²	29	49.9 Å²	49.9	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-64.5	-49.5	173.2	-169.3	65.9	0	0	0	110.3	A163 L165 L171 C172 S173 E178 T179 D180	A163-I176 HydrophobicContact CB-CB 4.17Å; A163-I176 HydrophobicContact CB-CG1 4.18Å; A163-I176 HydrophobicContact CB-CG2 3.78Å; L165-I176 HydrophobicContact CD2-CD1 3.5Å; L165-I176 VanDerWaalsContact CD2-CD1 3.5Å; L165-I176 HydrophobicContact CG-CD1 4.39Å; L171-I176 HydrophobicContact CB-CB 4.45Å; L171-I176 HydrophobicContact CD1-CD1 4.46Å; C172-I176 PolarHBondContact O-N 3.46Å; S173-I176 VanDerWaalsContact O-CG2 3.27Å; S173-I176 WeakPolarHBondContact O-CG2 3.3Å; I176-E178 VanDerWaalsContact C-N 3.27Å; I176-E178 PolarHBondContact O-N 3.41Å; I176-T179 CarbonylContact O-C 3.59Å; I176-T179 PolarHBondContact O-N 2.82Å; I176-T179 PolarHBondContact O-OG1 2.85Å; I176-D180 VanDerWaalsContact O-CG 3.32Å; I176-D180 PolarHBondContact O-N 3.23Å
177	K	87	Confident	84.6	Confident	55 Å²	55	45.7 Å²	45.7	24%	0.239	25%	0.246	C	C	.	.	H	α-helix	trans	-58.6	-36.5	174.9	-174.5	74.6	178.2	-169.1	0	112	E112 L113 S173 D180 V181	E112-K177 WeakPolarHBondContact OE2-CE 3.32Å; E112-K177 IonicContact OE2-NZ 2.7Å; E112-K177 PolarHBondContact OE2-NZ 2.86Å; L113-K177 HydrophobicContact CD1-CB 4.11Å; L113-K177 HydrophobicContact CD1-CG 3.89Å; S173-K177 WeakPolarHBondContact O-CB 3.23Å; S173-K177 PolarHBondContact O-N 2.99Å; K177-D180 PolarHBondContact O-N 2.96Å; K177-V181 WeakPolarHBondContact O-CB 3.48Å; K177-V181 VanDerWaalsContact O-CG2 3.31Å; K177-V181 WeakPolarHBondContact O-CG2 3.26Å; K177-V181 PolarHBondContact O-N 3.09Å
178	E	85.8	Confident	84	Confident	39 Å²	39	46.8 Å²	46.8	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-65.3	-43.2	174.3	-171.7	166.9	126	0	0	112.1	L113 K117 V174 C175 I176 D180 K182	L113-E178 HydrophobicContact CD1-CB 4.04Å; L113-E178 HydrophobicContact CD2-CB 4.13Å; L113-E178 HydrophobicContact CD2-CG 4.05Å; K117-E178 WeakPolarHBondContact CE-OE2 3.5Å; K117-E178 IonicContact NZ-OE2 2.69Å; K117-E178 PolarHBondContact NZ-OE2 2.97Å; V174-E178 VanDerWaalsContact O-CB 3.3Å; V174-E178 WeakPolarHBondContact O-CB 3.49Å; V174-E178 PolarHBondContact O-N 2.92Å; C175-E178 PolarHBondContact O-N 2.85Å; I176-E178 VanDerWaalsContact C-N 3.27Å; I176-E178 PolarHBondContact O-N 3.41Å; E178-D180 VanDerWaalsContact C-N 3.35Å; E178-K182 PolarHBondContact O-N 3.4Å
179	T	84.9	Confident	82.7	Confident	43 Å²	43	48 Å²	48	26%	0.264	23%	0.228	S	C	.	.	H	α-helix	trans	-66.3	-35.3	173	57.8	0	0	0	0	112.7	I152 C175 I176 K182 K183	I152-T179 HydrophobicContact CD1-CG2 4.35Å; C175-T179 PolarHBondContact O-N 3.04Å; C175-T179 PolarHBondContact O-OG1 3.1Å; I176-T179 CarbonylContact O-C 3.59Å; I176-T179 PolarHBondContact O-N 2.82Å; I176-T179 PolarHBondContact O-OG1 2.85Å; T179-K182 PolarHBondContact O-N 3.47Å; T179-K183 WeakPolarHBondContact O-CG 3.49Å; T179-K183 PolarHBondContact O-N 2.76Å
180	D	85.8	Confident	81.2	Confident	53 Å²	53	54.2 Å²	54.2	28%	0.283	25%	0.249	S	C	.	.	H	α-helix	trans	-75.6	-33	179.7	-64.3	-31.3	0	0	0	112.7	I176 K177 E178 K183 R184	I176-D180 VanDerWaalsContact O-CG 3.32Å; I176-D180 PolarHBondContact O-N 3.23Å; K177-D180 PolarHBondContact O-N 2.96Å; E178-D180 VanDerWaalsContact C-N 3.35Å; D180-K183 PolarHBondContact O-N 2.98Å; D180-K183 WeakPolarHBondContact OD1-CE 3.03Å; D180-K183 IonicContact OD1-NZ 3.52Å; D180-K183 PolarHBondContact OD1-NZ 3.36Å; D180-R184 WeakPolarHBondContact O-CB 3.14Å; D180-R184 VanDerWaalsContact O-CG 3.26Å; D180-R184 WeakPolarHBondContact O-CG 3.3Å; D180-R184 PolarHBondContact O-N 2.86Å
181	V	85.8	Confident	79.4	Confident	7 Å²	7	57 Å²	57	4%	0.042	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-50.3	166	169.2	0	0	0	0	109.3	L109 L113 K177 K183 R184 T185	L109-V181 HydrophobicContact CB-CG1 4.26Å; L109-V181 HydrophobicContact CB-CG2 4.3Å; L113-V181 HydrophobicContact CB-CG2 4.36Å; K177-V181 WeakPolarHBondContact O-CB 3.48Å; K177-V181 VanDerWaalsContact O-CG2 3.31Å; K177-V181 WeakPolarHBondContact O-CG2 3.26Å; K177-V181 PolarHBondContact O-N 3.09Å; V181-K183 VanDerWaalsContact C-N 3.28Å; V181-K183 PolarHBondContact O-N 2.81Å; V181-R184 PolarHBondContact O-N 2.78Å; V181-T185 HydrophobicContact CG1-CG2 4.06Å; V181-T185 WeakPolarHBondContact O-CG2 3.49Å; V181-T185 PolarHBondContact O-N 3.22Å; V181-T185 PolarHBondContact O-OG1 2.78Å
182	K	82.6	Confident	77.2	Confident	77 Å²	77	64.7 Å²	64.7	34%	0.335	30%	0.302	S	S	.	.	H	α-helix	trans	-57.3	-36.3	177	-78.4	-160.8	170.7	-161.5	0	114	E178 T179 T185 G186 D187 W188 D191	E178-K182 PolarHBondContact O-N 3.4Å; T179-K182 PolarHBondContact O-N 3.47Å; K182-T185 PolarHBondContact O-OG1 2.9Å; K182-G186 PolarHBondContact O-N 2.98Å; K182-D187 HydrophobicContact CB-CB 4.33Å; K182-D187 HydrophobicContact CG-CB 4.11Å; K182-D187 PolarHBondContact O-N 2.85Å; K182-W188 HydrophobicContact CB-CB 4.48Å; K182-W188 VanDerWaalsContact O-CD1 3.26Å; K182-W188 PolarHBondContact O-N 2.85Å; K182-D191 IonicContact NZ-OD2 2.68Å; K182-D191 PolarHBondContact NZ-OD2 2.84Å
183	K	82.9	Confident	75.3	Confident	109 Å²	109	72.3 Å²	72.3	47%	0.474	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-54	171.3	-69.5	168.3	-159.2	164.2	0	110.6	T179 D180 V181 T185 G186	T179-K183 WeakPolarHBondContact O-CG 3.49Å; T179-K183 PolarHBondContact O-N 2.76Å; D180-K183 PolarHBondContact O-N 2.98Å; D180-K183 WeakPolarHBondContact OD1-CE 3.03Å; D180-K183 IonicContact OD1-NZ 3.52Å; D180-K183 PolarHBondContact OD1-NZ 3.36Å; V181-K183 VanDerWaalsContact C-N 3.28Å; V181-K183 PolarHBondContact O-N 2.81Å; K183-T185 VanDerWaalsContact C-N 3.3Å; K183-T185 PolarHBondContact O-N 3.17Å; K183-G186 PolarHBondContact O-N 3.35Å
184	R	82.7	Confident	73.3	Confident	139 Å²	139	75.9 Å²	75.9	53%	0.525	35%	0.351	S	S	.	.	H	α-helix	trans	-70	-18.5	-173.9	-69.6	177.2	76	-163.9	3.8	114.6	R105 L109 D180 V181	R105-R184 PolarHBondContact NH1-O 3.09Å; R105-R184 PolarHBondContact NH2-O 2.98Å; L109-R184 HydrophobicContact CD1-CB 3.98Å; L109-R184 VanDerWaalsContact CD2-NH1 3.26Å; D180-R184 WeakPolarHBondContact O-CB 3.14Å; D180-R184 VanDerWaalsContact O-CG 3.26Å; D180-R184 WeakPolarHBondContact O-CG 3.3Å; D180-R184 PolarHBondContact O-N 2.86Å; V181-R184 PolarHBondContact O-N 2.78Å
185	T	83.6	Confident	71.3	Confident	17 Å²	17	83.3 Å²	83.3	10%	0.104	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.5	174.5	56.8	0	0	0	0	113.6	V106 L109 V181 K182 K183 D187	V106-T185 HydrophobicContact CG1-CG2 4.17Å; V106-T185 HydrophobicContact CG2-CG2 4.11Å; L109-T185 HydrophobicContact CD1-CG2 3.99Å; V181-T185 HydrophobicContact CG1-CG2 4.06Å; V181-T185 WeakPolarHBondContact O-CG2 3.49Å; V181-T185 PolarHBondContact O-N 3.22Å; V181-T185 PolarHBondContact O-OG1 2.78Å; K182-T185 PolarHBondContact O-OG1 2.9Å; K183-T185 VanDerWaalsContact C-N 3.3Å; K183-T185 PolarHBondContact O-N 3.17Å; T185-D187 WeakPolarHBondContact CB-OD2 3.22Å; T185-D187 PolarHBondContact O-N 3.36Å; T185-D187 WeakPolarHBondContact OG1-CB 3.4Å; T185-D187 PolarHBondContact OG1-N 2.83Å; T185-D187 PolarHBondContact OG1-OD2 3.26Å
186	G	76.5	Confident	69.6	Low	20 Å²	20	92.9 Å²	92.9	21%	0.206	43%	0.426	C	S	.	.	S	Bend	trans	75.6	-5.5	-172.3	0	0	0	0	0	114.9	K182 K183 W188 F189 Y190	K182-G186 PolarHBondContact O-N 2.98Å; K183-G186 PolarHBondContact O-N 3.35Å; G186-W188 PolarHBondContact O-N 2.81Å; G186-F189 WeakPolarHBondContact O-CB 3.45Å; G186-F189 PolarHBondContact O-N 3.3Å; G186-Y190 WeakPolarHBondContact O-CD2 3.21Å; G186-Y190 PolarHBondContact O-N 3.5Å
187	D	73.8	Confident	67.4	Low	55 Å²	55	101 Å²	101	29%	0.294	46%	0.461	S	S	.	.	H	α-helix	trans	-52.5	-32	179.1	-68.8	-39.8	0	0	0	112.1	K182 T185 F189 Y190 D191	K182-D187 HydrophobicContact CB-CB 4.33Å; K182-D187 HydrophobicContact CG-CB 4.11Å; K182-D187 PolarHBondContact O-N 2.85Å; T185-D187 WeakPolarHBondContact CB-OD2 3.22Å; T185-D187 PolarHBondContact O-N 3.36Å; T185-D187 WeakPolarHBondContact OG1-CB 3.4Å; T185-D187 PolarHBondContact OG1-N 2.83Å; T185-D187 PolarHBondContact OG1-OD2 3.26Å; D187-F189 PolarHBondContact O-N 3.44Å; D187-Y190 PolarHBondContact O-N 3.33Å; D187-D191 PolarHBondContact O-N 3.15Å
188	W	67.9	Low	65.3	Low	142 Å²	142	104 Å²	104	54%	0.538	49%	0.488	S	S	.	.	H	α-helix	trans	-57.7	-31.1	176.3	75.9	-82.5	0	0	0	114.6	K182 G186	K182-W188 HydrophobicContact CB-CB 4.48Å; K182-W188 VanDerWaalsContact O-CD1 3.26Å; K182-W188 PolarHBondContact O-N 2.85Å; G186-W188 PolarHBondContact O-N 2.81Å
189	F	53.8	Low	63.6	Low	91 Å²	91	110.6 Å²	110.6	40%	0.399	52%	0.521	S	S	.	.	H	α-helix	trans	-87.5	-37.3	-178.2	179.1	-103.4	0	0	0	111.1	G186 D187 Q192	G186-F189 WeakPolarHBondContact O-CB 3.45Å; G186-F189 PolarHBondContact O-N 3.3Å; D187-F189 PolarHBondContact O-N 3.44Å; F189-Q192 PolarHBondContact O-N 3.1Å
190	Y	56.5	Low	62	Low	156 Å²	156	114.9 Å²	114.9	61%	0.612	54%	0.543	S	S	*	.	H	α-helix	trans	-69.4	-39.7	176.9	-66.8	-68.6	0	0	0	112.3	G186 D187 Q192 R193 V194	G186-Y190 WeakPolarHBondContact O-CD2 3.21Å; G186-Y190 PolarHBondContact O-N 3.5Å; D187-Y190 PolarHBondContact O-N 3.33Å; Y190-Q192 PolarHBondContact O-N 3.24Å; Y190-R193 PolarHBondContact O-N 2.85Å; Y190-V194 WeakPolarHBondContact O-CG2 3.36Å; Y190-V194 PolarHBondContact O-N 3.1Å
191	D	50.7	Low	60.9	Low	100 Å²	100	115.7 Å²	115.7	54%	0.535	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.1	-27.8	175.8	-95.6	-20.3	0	0	0	113.5	K182 D187	K182-D191 IonicContact NZ-OD2 2.68Å; K182-D191 PolarHBondContact NZ-OD2 2.84Å; D187-D191 PolarHBondContact O-N 3.15Å
192	Q	43.5	Very low	60	Low	174 Å²	174	117.5 Å²	117.5	81%	0.813	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-10.8	176.4	-73.7	-164.7	-18.8	0	0	114.6	F189 Y190	F189-Q192 PolarHBondContact O-N 3.1Å; Y190-Q192 PolarHBondContact O-N 3.24Å
193	R	47.3	Very low	59.6	Low	160 Å²	160	115.4 Å²	115.4	60%	0.604	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.2	13.1	-163.9	-129.2	172.9	-173	164.8	0	115.3	Y190 N195	Y190-R193 PolarHBondContact O-N 2.85Å; R193-N195 PolarHBondContact O-N 3.28Å
194	V	46.5	Very low	59	Low	115 Å²	115	113.3 Å²	113.3	70%	0.697	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	43.6	-172.7	-155.1	0	0	0	0	115	Y190	Y190-V194 WeakPolarHBondContact O-CG2 3.36Å; Y190-V194 PolarHBondContact O-N 3.1Å
195	N	46.3	Very low	58.7	Low	162 Å²	162	109.6 Å²	109.6	87%	0.866	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155	22.8	-174.4	-132.5	44.8	0	0	0	115	R193	R193-N195 PolarHBondContact O-N 3.28Å
196	R	49.2	Very low	58.4	Low	207 Å²	207	110.4 Å²	110.4	78%	0.781	55%	0.552	S	S	*	*	S	Bend	trans	-135.9	-10.3	-173.3	-118.7	178	-176.3	143.7	1.4	119.2
197	F	42.4	Very low	58.4	Low	200 Å²	200	111 Å²	111	88%	0.877	55%	0.548	S	S	*	.	S	Bend	trans	-140.3	142.8	176.6	-62.3	-70.4	0	0	0	111.4
198	S	44.1	Very low	58.5	Low	117 Å²	117	112.3 Å²	112.3	82%	0.818	56%	0.557	S	S	*	*			trans	-72	154.1	-172.4	-56.7	0	0	0	0	113.2	N200	S198-N200 PolarHBondContact O-N 2.86Å; S198-N200 VanDerWaalsContact O-N 3.09Å
199	M	49.8	Very low	59	Low	178 Å²	178	106 Å²	106	88%	0.877	54%	0.535	S	S	*	.	S	Bend	trans	-77	12.8	-172	-71.2	-172	60.1	0	0	116.1	P201	M199-P201 WeakPolarHBondContact O-CD 3.23Å
200	N	50.4	Low	60	Low	134 Å²	134	102.5 Å²	102.5	72%	0.717	52%	0.52	S	S	*	.	S	Bend	trans	-102.9	106.2	173.2	-72.5	9.1	0	0	0	109.1	S198 G202	S198-N200 PolarHBondContact O-N 2.86Å; S198-N200 VanDerWaalsContact O-N 3.09Å; N200-G202 PolarHBondContact O-N 3.01Å; N200-G202 VanDerWaalsContact O-N 3.09Å
201	P	63	Low	60.6	Low	69 Å²	69	102.5 Å²	102.5	45%	0.448	52%	0.523	S	S	.	.			trans	-66.8	110.9	178.7	-19.2	33.7	0	0	0	109.8	M199 H203 D204	M199-P201 WeakPolarHBondContact O-CD 3.23Å; P201-H203 PolarHBondContact O-N 2.63Å; P201-H203 PolarHBondContact O-ND1 2.93Å; P201-D204 PolarHBondContact O-N 3Å
202	G	67	Low	61.2	Low	46 Å²	46	103.5 Å²	103.5	47%	0.474	52%	0.523	S	S	.	.	H	α-helix	trans	-51.8	-22.6	-167.2	0	0	0	0	0	116.3	N200 D204 L205 V206	N200-G202 PolarHBondContact O-N 3.01Å; N200-G202 VanDerWaalsContact O-N 3.09Å; G202-D204 PolarHBondContact O-N 3.39Å; G202-L205 WeakPolarHBondContact O-CB 3.36Å; G202-L205 PolarHBondContact O-N 3.04Å; G202-V206 PolarHBondContact O-N 3.01Å; G202-V206 VanDerWaalsContact O-N 3.09Å
203	H	73.2	Confident	61.6	Low	32 Å²	32	105.2 Å²	105.2	15%	0.148	52%	0.522	C	S	.	.	H	α-helix	trans	-55.9	-32.9	171.1	88.3	-40.9	0	0	0	113.7	L92 D95 R99 P201 R207	L92-H203 HydrophobicContact CD2-CB 3.68Å; D95-H203 IonicContact OD2-CD2 3.36Å; D95-H203 PolarHBondContact OD2-CD2 2.69Å; D95-H203 IonicContact OD2-CG 2.71Å; R99-H203 PolarHBondContact NH1-CD2 3.39Å; R99-H203 PolarHBondContact NH1-CE1 3.18Å; R99-H203 PolarHBondContact NH1-ND1 2.88Å; R99-H203 PolarHBondContact NH1-NE2 2.74Å; P201-H203 PolarHBondContact O-N 2.63Å; P201-H203 PolarHBondContact O-ND1 2.93Å; H203-R207 PolarHBondContact CD2-NH1 2.74Å; H203-R207 VanDerWaalsContact CD2-NH1 3.27Å; H203-R207 PolarHBondContact CE1-NH1 3.16Å; H203-R207 PolarHBondContact NE2-NH1 2.83Å; H203-R207 WeakPolarHBondContact O-CB 3.49Å; H203-R207 PolarHBondContact O-N 2.86Å
204	D	70.3	Confident	61.7	Low	65 Å²	65	102.6 Å²	102.6	35%	0.348	53%	0.525	S	S	.	.	H	α-helix	trans	-74.9	-39.1	177.8	-73.9	-51.1	0	0	0	111.4	P201 G202 V206 R207 V208	P201-D204 PolarHBondContact O-N 3Å; G202-D204 PolarHBondContact O-N 3.39Å; D204-V206 VanDerWaalsContact C-N 3.33Å; D204-V206 PolarHBondContact O-N 2.89Å; D204-R207 PolarHBondContact O-N 2.74Å; D204-R207 IonicContact OD1-CZ 3.32Å; D204-R207 IonicContact OD1-NH1 3.58Å; D204-R207 PolarHBondContact OD1-NH1 2.77Å; D204-V208 WeakPolarHBondContact O-CB 3.44Å; D204-V208 VanDerWaalsContact O-CG2 3.31Å; D204-V208 WeakPolarHBondContact O-CG2 3.35Å; D204-V208 PolarHBondContact O-N 2.88Å
205	L	77.8	Confident	61.5	Low	62 Å²	62	103 Å²	103	33%	0.325	53%	0.531	S	S	.	.	H	α-helix	trans	-62.9	-42.2	178	-171.3	60.9	0	0	0	110.6	D73 I75 G202 S209	D73-L205 WeakPolarHBondContact O-CD1 3.43Å; I75-L205 HydrophobicContact CD1-CD2 3.75Å; I75-L205 HydrophobicContact CD1-CG 3.83Å; I75-L205 HydrophobicContact CG1-CD2 4Å; I75-L205 HydrophobicContact CG1-CG 4Å; G202-L205 WeakPolarHBondContact O-CB 3.36Å; G202-L205 PolarHBondContact O-N 3.04Å; L205-S209 VanDerWaalsContact O-CB 3.28Å; L205-S209 WeakPolarHBondContact O-CB 3.43Å; L205-S209 PolarHBondContact O-N 3.06Å; L205-S209 PolarHBondContact O-OG 3.24Å
206	V	76.8	Confident	61.5	Low	34 Å²	34	99.7 Å²	99.7	21%	0.206	53%	0.526	C	S	.	.	H	α-helix	trans	-68.2	-47	172.3	-179.7	0	0	0	0	111.3	I75 L77 I88 L92 G202 D204 V208 S209 L210	I75-V206 HydrophobicContact CD1-CG2 4.29Å; L77-V206 HydrophobicContact CD1-CG1 4.04Å; I88-V206 HydrophobicContact CG2-CG1 3.78Å; L92-V206 HydrophobicContact CD1-CG1 4.08Å; G202-V206 PolarHBondContact O-N 3.01Å; G202-V206 VanDerWaalsContact O-N 3.09Å; D204-V206 VanDerWaalsContact C-N 3.33Å; D204-V206 PolarHBondContact O-N 2.89Å; V206-V208 VanDerWaalsContact C-N 3.27Å; V206-V208 PolarHBondContact O-N 2.77Å; V206-S209 PolarHBondContact O-N 3.44Å; V206-S209 VanDerWaalsContact O-N 3.14Å; V206-L210 HydrophobicContact CG1-CD1 3.92Å; V206-L210 HydrophobicContact CG1-CG 4.26Å; V206-L210 WeakPolarHBondContact O-CG 3.16Å; V206-L210 PolarHBondContact O-N 2.79Å
207	R	77.3	Confident	61.2	Low	33 Å²	33	100.4 Å²	100.4	13%	0.125	53%	0.528	C	S	.	.	H	α-helix	trans	-58	-34.5	177.7	-178.9	-166.9	-83.8	120.3	-1.9	112.9	L92 E96 H203 D204 K211	L92-R207 HydrophobicContact CD1-CB 4.21Å; E96-R207 VanDerWaalsContact CD-NH2 3.28Å; E96-R207 IonicContact OE2-CZ 2.72Å; E96-R207 IonicContact OE2-NE 3.13Å; E96-R207 IonicContact OE2-NH2 3.41Å; E96-R207 PolarHBondContact OE2-NH2 2.91Å; H203-R207 PolarHBondContact CD2-NH1 2.74Å; H203-R207 VanDerWaalsContact CD2-NH1 3.27Å; H203-R207 PolarHBondContact CE1-NH1 3.16Å; H203-R207 PolarHBondContact NE2-NH1 2.83Å; H203-R207 WeakPolarHBondContact O-CB 3.49Å; H203-R207 PolarHBondContact O-N 2.86Å; D204-R207 PolarHBondContact O-N 2.74Å; D204-R207 IonicContact OD1-CZ 3.32Å; D204-R207 IonicContact OD1-NH1 3.58Å; D204-R207 PolarHBondContact OD1-NH1 2.77Å; R207-K211 WeakPolarHBondContact O-CD 3.49Å; R207-K211 VanDerWaalsContact O-CG 3.28Å; R207-K211 WeakPolarHBondContact O-CG 3.32Å
208	V	75.6	Confident	61.5	Low	82 Å²	82	100.8 Å²	100.8	50%	0.497	53%	0.53	S	S	.	.	H	α-helix	trans	-78.5	-41.8	174.9	169.7	0	0	0	0	111.1	D204 V206 K211	D204-V208 WeakPolarHBondContact O-CB 3.44Å; D204-V208 VanDerWaalsContact O-CG2 3.31Å; D204-V208 WeakPolarHBondContact O-CG2 3.35Å; D204-V208 PolarHBondContact O-N 2.88Å; V206-V208 VanDerWaalsContact C-N 3.27Å; V206-V208 PolarHBondContact O-N 2.77Å; V208-K211 PolarHBondContact O-N 2.9Å
209	S	78.1	Confident	61.8	Low	9 Å²	9	105.6 Å²	105.6	6%	0.063	53%	0.53	C	S	.	.	H	α-helix	trans	-64	-43.7	-179.2	-59.1	0	0	0	0	112.2	I75 L205 V206 K211 K212	I75-S209 PolarHBondContact N-OG 3.34Å; I75-S209 VanDerWaalsContact N-OG 3.11Å; I75-S209 WeakPolarHBondContact O-CB 3.13Å; L205-S209 VanDerWaalsContact O-CB 3.28Å; L205-S209 WeakPolarHBondContact O-CB 3.43Å; L205-S209 PolarHBondContact O-N 3.06Å; L205-S209 PolarHBondContact O-OG 3.24Å; V206-S209 PolarHBondContact O-N 3.44Å; V206-S209 VanDerWaalsContact O-N 3.14Å; S209-K211 PolarHBondContact O-N 3.08Å; S209-K212 PolarHBondContact O-N 2.93Å
210	L	74.4	Confident	61.4	Low	17 Å²	17	103.1 Å²	103.1	9%	0.089	52%	0.516	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-17.6	175.7	-69.4	176	0	0	0	114.1	L77 L80 Q85 I88 L89 L92 V206	L77-L210 HydrophobicContact CB-CD2 4.14Å; L77-L210 HydrophobicContact CD1-CD2 3.59Å; L77-L210 HydrophobicContact CD1-CG 3.64Å; L77-L210 HydrophobicContact CG-CD2 4.49Å; L80-L210 HydrophobicContact CD1-CD2 4.42Å; Q85-L210 HydrophobicContact CB-CD2 4.08Å; Q85-L210 HydrophobicContact CG-CD2 3.8Å; I88-L210 HydrophobicContact CB-CD1 4.15Å; I88-L210 HydrophobicContact CG2-CD1 3.69Å; L89-L210 HydrophobicContact CD2-CB 4.3Å; L89-L210 HydrophobicContact CD2-CD1 3.92Å; L89-L210 HydrophobicContact CG-CD1 4.03Å; L92-L210 HydrophobicContact CD1-CD1 4.32Å; V206-L210 HydrophobicContact CG1-CD1 3.92Å; V206-L210 HydrophobicContact CG1-CG 4.26Å; V206-L210 WeakPolarHBondContact O-CG 3.16Å; V206-L210 PolarHBondContact O-N 2.79Å
211	K	68.5	Low	61.7	Low	157 Å²	157	101 Å²	101	68%	0.683	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.5	-180	-75.3	176.9	-177.5	-174.7	0	113.8	R207 V208 S209	R207-K211 WeakPolarHBondContact O-CD 3.49Å; R207-K211 VanDerWaalsContact O-CG 3.28Å; R207-K211 WeakPolarHBondContact O-CG 3.32Å; V208-K211 PolarHBondContact O-N 2.9Å; S209-K211 PolarHBondContact O-N 3.08Å
212	K	63.2	Low	60.9	Low	120 Å²	120	101.7 Å²	101.7	52%	0.522	52%	0.52	S	S	.	.			trans	-93.5	94.8	169.4	-69	-159.2	-165	170.4	0	110.1	L74 S209	L74-K212 HydrophobicContact CD2-CB 4.3Å; L74-K212 HydrophobicContact CD2-CD 3.51Å; L74-K212 HydrophobicContact CD2-CG 3.96Å; S209-K212 PolarHBondContact O-N 2.93Å
213	R	53.2	Low	60.2	Low	210 Å²	210	101.3 Å²	101.3	79%	0.792	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-61	132.9	161.5	-80.3	-174.8	167.6	-179.1	-5.2	109
214	P	49.9	Very low	59.2	Low	105 Å²	105	104 Å²	104	68%	0.682	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-63.6	150.5	170.5	27.9	-34	0	0	0	110.1	A216	P214-A216 PolarHBondContact O-N 2.83Å
215	P	42.3	Very low	58	Low	124 Å²	124	107.7 Å²	107.7	81%	0.805	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-64.8	119.6	180	26	-33.5	0	0	0	110.6	R217	P215-R217 PolarHBondContact O-N 2.93Å
216	A	44.8	Very low	56.5	Low	93 Å²	93	110.8 Å²	110.8	77%	0.769	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-62.9	118.5	177.5	0	0	0	0	0	110.5	P214 K218	P214-A216 PolarHBondContact O-N 2.83Å; A216-K218 PolarHBondContact O-N 3.04Å
217	R	43	Very low	55.2	Low	221 Å²	221	116 Å²	116	83%	0.834	58%	0.584	S	S	*	*			trans	-65.1	100.3	-178.6	-73.2	-174.8	171.5	-166.6	-2.6	111.1	P215 R219	P215-R217 PolarHBondContact O-N 2.93Å; R217-R219 PolarHBondContact O-N 3Å
218	K	49.7	Very low	53.8	Low	209 Å²	209	124.6 Å²	124.6	91%	0.909	62%	0.616	S	S	*	*	S	Bend	trans	-75	60.1	173.6	-76.7	-168.1	173.5	-175.4	0	113.2	A216	A216-K218 PolarHBondContact O-N 3.04Å
219	R	49.2	Very low	52.2	Low	218 Å²	218	125.6 Å²	125.6	82%	0.823	62%	0.623	S	S	*	*			trans	178.7	84.9	155	-106.8	175	174.9	172.6	-1.6	109.3	R217 T221	R217-R219 PolarHBondContact O-N 3Å; R219-T221 PolarHBondContact O-N 2.86Å
220	E	41.3	Very low	50.3	Low	125 Å²	125	129 Å²	129	58%	0.584	65%	0.651	S	S	*	*			trans	-73.6	115.3	158	-166	177.3	-126.3	0	0	106.3	E224	E220-E224 HydrophobicContact CG-CB 4.43Å
221	T	56.8	Low	48.5	Very low	91 Å²	91	134.6 Å²	134.6	56%	0.558	69%	0.686	S	S	*	*			trans	-91.4	148.4	-173.9	-54.4	0	0	0	0	109.7	R219 G223 E224	R219-T221 PolarHBondContact O-N 2.86Å; T221-G223 PolarHBondContact O-N 2.88Å; T221-E224 PolarHBondContact N-OE2 2.89Å; T221-E224 VanDerWaalsContact O-CB 3.23Å; T221-E224 WeakPolarHBondContact O-CB 3.49Å; T221-E224 PolarHBondContact O-N 2.93Å
222	A	47.3	Very low	47	Very low	82 Å²	82	134.5 Å²	134.5	68%	0.678	69%	0.692	S	S	*	*	H	α-helix	trans	-53.5	-31.6	-169.9	0	0	0	0	0	115.1	L226	A222-L226 PolarHBondContact O-N 2.94Å
223	G	51.3	Low	45.7	Very low	39 Å²	39	134.2 Å²	134.2	40%	0.402	70%	0.703	S	S	.	*	H	α-helix	trans	-69.3	-30.4	173.7	0	0	0	0	0	114.8	T221 K225 L226 L227	T221-G223 PolarHBondContact O-N 2.88Å; G223-K225 VanDerWaalsContact C-N 3.3Å; G223-K225 PolarHBondContact O-N 2.91Å; G223-L226 PolarHBondContact O-N 2.92Å; G223-L227 PolarHBondContact O-N 3.26Å
224	E	53.2	Low	44.8	Very low	89 Å²	89	133.4 Å²	133.4	42%	0.416	71%	0.705	S	S	.	*	H	α-helix	trans	-67	-34.5	178.5	-158.9	168.6	-162.6	0	0	110.9	E220 T221 R228	E220-E224 HydrophobicContact CG-CB 4.43Å; T221-E224 PolarHBondContact N-OE2 2.89Å; T221-E224 VanDerWaalsContact O-CB 3.23Å; T221-E224 WeakPolarHBondContact O-CB 3.49Å; T221-E224 PolarHBondContact O-N 2.93Å; E224-R228 PolarHBondContact O-N 3.02Å
225	K	44	Very low	44	Very low	141 Å²	141	134 Å²	134	61%	0.613	71%	0.709	S	S	*	*	H	α-helix	trans	-69.9	-33.4	173.9	-163.2	169.8	-174.4	173.2	0	113	G223 T229	G223-K225 VanDerWaalsContact C-N 3.3Å; G223-K225 PolarHBondContact O-N 2.91Å; K225-T229 PolarHBondContact O-OG1 2.92Å; K225-T229 VanDerWaalsContact O-OG1 3.05Å
226	L	47.4	Very low	43.7	Very low	128 Å²	128	132 Å²	132	67%	0.67	70%	0.703	S	S	*	*	H	α-helix	trans	-71.7	-40.4	175.3	-72.8	168.7	0	0	0	112.1	A222 G223 R228 T229 A230	A222-L226 PolarHBondContact O-N 2.94Å; G223-L226 PolarHBondContact O-N 2.92Å; L226-R228 PolarHBondContact O-N 3.14Å; L226-T229 PolarHBondContact O-N 2.89Å; L226-A230 PolarHBondContact O-N 3.27Å
227	L	48.4	Very low	43.1	Very low	144 Å²	144	133.7 Å²	133.7	75%	0.754	71%	0.706	S	S	*	*	H	α-helix	trans	-63	-25.1	176.9	-71	171.9	0	0	0	113.3	G223	G223-L227 PolarHBondContact O-N 3.26Å
228	R	47.8	Very low	42.4	Very low	213 Å²	213	131.5 Å²	131.5	80%	0.804	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-9	170.7	-83.7	-173.2	165	-168.8	-5.3	115.3	E224 L226	E224-R228 PolarHBondContact O-N 3.02Å; L226-R228 PolarHBondContact O-N 3.14Å
229	T	42.3	Very low	41.4	Very low	102 Å²	102	128.3 Å²	128.3	63%	0.626	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-6.4	-177	-49.8	0	0	0	0	112.6	K225 L226 V231	K225-T229 PolarHBondContact O-OG1 2.92Å; K225-T229 VanDerWaalsContact O-OG1 3.05Å; L226-T229 PolarHBondContact O-N 2.89Å; T229-V231 PolarHBondContact O-N 2.82Å
230	A	38.5	Very low	40.6	Very low	80 Å²	80	129.8 Å²	129.8	66%	0.661	71%	0.707	S	S	*	*			trans	-73.4	89.7	173.9	0	0	0	0	0	111.7	L226 L232	L226-A230 PolarHBondContact O-N 3.27Å; A230-L232 PolarHBondContact O-N 2.64Å; A230-L232 VanDerWaalsContact O-N 3.14Å
231	V	37.1	Very low	40	Very low	135 Å²	135	132 Å²	132	82%	0.818	72%	0.718	S	S	*	*			trans	-70	104.9	175.2	178.4	0	0	0	0	110.5	T229	T229-V231 PolarHBondContact O-N 2.82Å
232	L	35.7	Very low	38.6	Very low	155 Å²	155	136.2 Å²	136.2	81%	0.812	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-75	143.7	156.4	-89.6	163.1	0	0	0	109.6	A230 K234	A230-L232 PolarHBondContact O-N 2.64Å; A230-L232 VanDerWaalsContact O-N 3.14Å; L232-K234 PolarHBondContact O-N 3.29Å
233	P	36.3	Very low	37.7	Very low	115 Å²	115	138.2 Å²	138.2	75%	0.747	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-62.4	131.5	-170.6	-25.5	35.4	0	0	0	114	P235	P233-P235 WeakPolarHBondContact O-CD 3.29Å
234	K	34.1	Very low	37	Very low	193 Å²	193	141.6 Å²	141.6	84%	0.839	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-72.1	122.9	171.5	-172.9	-179.8	-173.7	178.6	0	109.4	L232 A236	L232-K234 PolarHBondContact O-N 3.29Å; K234-A236 PolarHBondContact O-N 2.81Å
235	P	32.8	Very low	36	Very low	117 Å²	117	143 Å²	143	76%	0.76	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-58.2	133.9	169.4	-23.6	34.6	0	0	0	110.4	P233	P233-P235 WeakPolarHBondContact O-CD 3.29Å
236	A	36.4	Very low	35.4	Very low	83 Å²	83	141.7 Å²	141.7	69%	0.686	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-64.8	150.4	175.8	0	0	0	0	0	110.8	K234 L238	K234-A236 PolarHBondContact O-N 2.81Å; A236-L238 PolarHBondContact O-N 3.33Å
237	P	32.1	Very low	34.4	Very low	127 Å²	127	142.9 Å²	142.9	83%	0.825	77%	0.77	S	S	*	*			trans	-66.6	107.1	177.7	27.8	-33.9	0	0	0	110	L239	P237-L239 PolarHBondContact O-N 2.99Å
238	L	29.4	Very low	33.5	Very low	175 Å²	175	140 Å²	140	92%	0.916	77%	0.767	S	S	*	*			trans	-65.5	119.2	173.1	-86.4	171.9	0	0	0	109.8	A236	A236-L238 PolarHBondContact O-N 3.33Å
239	L	28.6	Very low	32.5	Very low	143 Å²	143	136.1 Å²	136.1	75%	0.749	76%	0.762	S	S	*	*			trans	-57.3	141.2	175.9	-94.1	147.7	0	0	0	111.2	P237 Q241	P237-L239 PolarHBondContact O-N 2.99Å; L239-Q241 HydrophobicContact CB-CG 4.27Å; L239-Q241 PolarHBondContact O-N 2.83Å
240	R	31.7	Very low	31.9	Very low	248 Å²	248	139.1 Å²	139.1	94%	0.936	77%	0.769	S	S	*	*			trans	-66.5	75.7	163.8	-178.4	-173.9	175.5	-177	-0.8	109.6
241	Q	28.6	Very low	31.5	Very low	173 Å²	173	140.3 Å²	140.3	81%	0.808	77%	0.773	S	S	*	*			trans	-80.4	149.7	166.8	-70.1	-169.3	-11.8	0	0	110.3	L239	L239-Q241 HydrophobicContact CB-CG 4.27Å; L239-Q241 PolarHBondContact O-N 2.83Å
242	K	26.7	Very low	31.2	Very low	179 Å²	179	138.5 Å²	138.5	78%	0.778	77%	0.766	S	S	*	*			trans	-133.1	161.3	-178.9	-166.4	-155	165.6	-159.2	0	107.1
243	N	30	Very low	30.8	Very low	123 Å²	123	140 Å²	140	66%	0.658	77%	0.769	S	S	*	*			trans	82.4	157.6	174.1	-43.5	-32.5	0	0	0	112.9
244	P	36.2	Very low	30.4	Very low	110 Å²	110	142.2 Å²	142.2	71%	0.714	77%	0.769	S	S	*	*			cis	-121.4	162.5	7.9	41.2	-29.3	0	0	0	116.1	V246	P244-V246 HydrophobicContact CB-CG2 4.39Å
245	P	32.7	Very low	30.2	Very low	120 Å²	120	137.5 Å²	137.5	78%	0.779	76%	0.76	S	S	*	*			trans	-94.5	142.1	147.4	35.9	-27.8	0	0	0	111
246	V	29.7	Very low	29.8	Very low	113 Å²	113	135.1 Å²	135.1	69%	0.685	76%	0.757	S	S	*	*			trans	-155	139.2	175	176.3	0	0	0	0	104.9	P244	P244-V246 HydrophobicContact CB-CG2 4.39Å
247	D	28.3	Very low	29.4	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	76%	0.762	S	S	*	*			cis	-102.7	-172.7	1.1	-54.6	-87	0	0	0	111.4
248	A	28.7	Very low	29.2	Very low	83 Å²	83	137.8 Å²	137.8	69%	0.686	76%	0.76	S	S	*	*			cis	-152.6	168	8.1	0	0	0	0	0	113.3
249	D	27.1	Very low	29	Very low	132 Å²	132	133.6 Å²	133.6	71%	0.706	75%	0.75	S	S	*	*			trans	67.9	125.3	158.4	-75.7	-37.8	0	0	0	123.2
250	Q	30.4	Very low	29	Very low	166 Å²	166	131.9 Å²	131.9	78%	0.776	75%	0.75	S	S	*	*				40.3	137.3	127.6	-56	173.8	61.9	0	0	119.3
251	S	29.5	Very low	28.9	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	74%	0.742	S	S	*	*			cis	-179.7	169.3	2	51	0	0	0	0	107.7
252	S	30.3	Very low	28.8	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	73%	0.733	S	S	*	*			cis	-171.7	158.1	-24.5	49.8	0	0	0	0	109.1
253	E	28	Very low	28.8	Very low	186 Å²	186	123.9 Å²	123.9	87%	0.869	73%	0.728	S	S	*	*			trans	65.1	159.4	161.8	-75.2	-172.1	173.6	0	0	118.7
254	H	27.8	Very low	28.8	Very low	162 Å²	162	125.9 Å²	125.9	75%	0.75	74%	0.738	S	S	*	*			cis	-158	170.5	-24.3	-178.5	65.5	0	0	0	109.4
255	S	28.7	Very low	28.6	Very low	94 Å²	94	128 Å²	128	66%	0.657	74%	0.738	S	S	*	*			trans	8.2	142.7	168.6	-65.7	0	0	0	0	122.9
256	G	25	Very low	28.8	Very low	67 Å²	67	127.3 Å²	127.3	69%	0.691	73%	0.734	S	S	*	*			trans	-99.7	-147.7	175.6	0	0	0	0	0	116
257	S	28.4	Very low	28.8	Very low	112 Å²	112	129.7 Å²	129.7	78%	0.783	74%	0.735	S	S	*	*			trans	93.1	150.2	174.9	85.7	0	0	0	0	118.6
258	I	27.3	Very low	28.7	Very low	154 Å²	154	127.6 Å²	127.6	79%	0.79	72%	0.724	S	S	*	*			trans	70	91.7	157.9	-58.9	170.7	0	0	0	119.5
259	A	24.9	Very low	28.7	Very low	86 Å²	86	129.8 Å²	129.8	71%	0.711	72%	0.724	S	S	*	*				48	141.7	118.1	0	0	0	0	0	124.7
260	S	28.3	Very low	28.7	Very low	107 Å²	107	129.5 Å²	129.5	75%	0.748	73%	0.727	S	S	*	*			trans	121.5	127.6	135.8	-55.5	0	0	0	0	117.2
261	R	29.9	Very low	28.5	Very low	206 Å²	206	127.3 Å²	127.3	78%	0.777	73%	0.73	S	S	*	*			trans	45.3	145.2	139.1	-67.4	173.4	68.8	146.1	2.8	119.4
262	E	27	Very low	28.3	Very low	130 Å²	130	126.4 Å²	126.4	61%	0.607	73%	0.728	S	S	*	*			cis	-161.9	152.6	18.1	-142.2	159.5	144.4	0	0	112.6
263	S	26.8	Very low	28.1	Very low	97 Å²	97	131.4 Å²	131.4	68%	0.678	74%	0.738	S	S	*	*			trans	59.4	143.2	149.2	-76	0	0	0	0	120.4
264	L	30.5	Very low	28.5	Very low	164 Å²	164	128.4 Å²	128.4	86%	0.859	74%	0.735	S	S	*	*			cis	-131.8	148.2	11.2	-70.5	170.7	0	0	0	113
265	E	30.3	Very low	29.4	Very low	155 Å²	155	126.4 Å²	126.4	72%	0.724	74%	0.736	S	S	*	*			trans	-61.5	171	154.2	-81	-78.6	134.1	0	0	111.7
266	P	38.9	Very low	29.1	Very low	106 Å²	106	127.6 Å²	127.6	69%	0.688	74%	0.743	S	S	*	*			cis	-135.6	-170.3	16.9	48.3	-30.8	0	0	0	113.7
267	K	28.3	Very low	29.1	Very low	162 Å²	162	128.3 Å²	128.3	70%	0.704	74%	0.738	S	S	*	*			cis	-158	141.8	12.6	-156.7	138.1	-175.6	174.1	0	114
268	D	27.4	Very low	29.1	Very low	108 Å²	108	129.7 Å²	129.7	58%	0.578	74%	0.736	S	S	*	*			trans	39	144	143.3	-63.2	-28	0	0	0	123.3
269	N	27.2	Very low	29.3	Very low	129 Å²	129	128.9 Å²	128.9	69%	0.69	74%	0.738	S	S	*	*			cis	-167.6	157.4	-28.9	-129.1	-44.1	0	0	0	112.1
270	V	27.7	Very low	29.5	Very low	127 Å²	127	132.5 Å²	132.5	77%	0.77	74%	0.741	S	S	*	*			trans	26.4	122.5	150.2	168	0	0	0	0	120.6
271	S	25.4	Very low	29.7	Very low	119 Å²	119	132 Å²	132	83%	0.832	74%	0.738	S	S	*	*				-173.1	164.7	101.1	-161.4	0	0	0	0	113
272	A	26.4	Very low	29.6	Very low	86 Å²	86	126.9 Å²	126.9	71%	0.711	74%	0.739	S	S	*	*			trans	-145	136.5	-177.6	0	0	0	0	0	113.9
273	K	24.9	Very low	29.8	Very low	202 Å²	202	128.4 Å²	128.4	88%	0.878	75%	0.746	S	S	*	*			trans	65.5	169.2	170.8	-73.2	-176.3	178.1	-179.3	0	114.6
274	P	36.9	Very low	29.8	Very low	123 Å²	123	130 Å²	130	80%	0.799	75%	0.747	S	S	*	*			cis	-118.2	-150.9	7.9	48	-32.7	0	0	0	112.1
275	P	46.4	Very low	29.7	Very low	121 Å²	121	128.7 Å²	128.7	79%	0.786	75%	0.745	S	S	*	*			trans	-113.5	177.5	-157.6	44.2	-38.4	0	0	0	116
276	C	23.4	Very low	29.5	Very low	118 Å²	118	126.5 Å²	126.5	80%	0.797	75%	0.748	S	S	*	*				-172.7	163.3	127.1	-141.9	0	0	0	0	115.1
277	S	25.6	Very low	29	Very low	83 Å²	83	128.8 Å²	128.8	58%	0.58	75%	0.752	S	S	*	*			trans	35.5	118.3	145.9	63.2	0	0	0	0	123.2
278	D	27.9	Very low	28.8	Very low	141 Å²	141	128.3 Å²	128.3	75%	0.754	76%	0.757	S	S	*	*				52.1	155.3	116.9	-49	-44.3	0	0	0	123.6
279	T	31.3	Very low	28.7	Very low	136 Å²	136	127.2 Å²	127.2	83%	0.834	76%	0.758	S	S	*	*			trans	68.9	158.2	168.9	66.9	0	0	0	0	117
280	E	28.5	Very low	28.8	Very low	162 Å²	162	128.3 Å²	128.3	76%	0.757	77%	0.768	S	S	*	*			cis	-162.8	141.6	-30.8	167	179	146.9	0	0	109.9
281	S	32.4	Very low	28.9	Very low	98 Å²	98	130.5 Å²	130.5	69%	0.685	77%	0.768	S	S	*	*			trans	59.1	171.1	158.4	-67.5	0	0	0	0	120.5
282	A	29.2	Very low	29.1	Very low	98 Å²	98	131.6 Å²	131.6	81%	0.81	77%	0.77	S	S	*	*			trans	62.9	150.9	167	0	0	0	0	0	118.2
283	E	29.9	Very low	29.1	Very low	161 Å²	161	134.9 Å²	134.9	75%	0.752	77%	0.768	S	S	*	*			cis	177.9	139.4	-38.3	-120.3	-159.9	-176.6	0	0	105.5
284	N	28.2	Very low	29.2	Very low	132 Å²	132	131.1 Å²	131.1	71%	0.706	76%	0.762	S	S	*	*			trans	70.8	171.1	154.3	-55.8	-38.7	0	0	0	121.9
285	V	27.6	Very low	28.6	Very low	135 Å²	135	131.6 Å²	131.6	82%	0.818	75%	0.753	S	S	*	*			trans	85.8	88.7	163.6	-161.9	0	0	0	0	119.1
286	S	25.7	Very low	27.7	Very low	110 Å²	110	132 Å²	132	77%	0.769	76%	0.759	S	S	*	*			trans	-48.7	144.1	156.8	-34.8	0	0	0	0	116.8
287	I	27.6	Very low	27.9	Very low	154 Å²	154	130 Å²	130	79%	0.79	76%	0.758	S	S	*	*			trans	-142.1	106.5	148.1	-65.5	-170.6	0	0	0	106.4
288	L	24.1	Very low	28.1	Very low	151 Å²	151	137.8 Å²	137.8	79%	0.791	78%	0.775	S	S	*	*				53.6	100	93.7	-71	171	0	0	0	114.3
289	S	26.6	Very low	28	Very low	86 Å²	86	136 Å²	136	60%	0.601	78%	0.78	S	S	*	*				74.7	99.4	87.9	168.2	0	0	0	0	114.9
290	V	30.1	Very low	27.9	Very low	151 Å²	151	135.9 Å²	135.9	92%	0.915	78%	0.779	S	S	*	*			trans	-98.6	136.6	153.2	-178.8	0	0	0	0	108.7
291	K	28.6	Very low	28.4	Very low	173 Å²	173	133.7 Å²	133.7	75%	0.752	78%	0.779	S	S	*	*			trans	-110.1	153.6	179.5	-71.6	176.1	176.3	172.3	0	111.2
292	T	28.9	Very low	27.9	Very low	143 Å²	143	137.5 Å²	137.5	88%	0.877	79%	0.786	S	S	*	*			trans	-127.1	151.9	141.7	41.5	0	0	0	0	109.8
293	K	26.3	Very low	28.1	Very low	155 Å²	155	140.2 Å²	140.2	67%	0.674	78%	0.782	S	S	*	*			trans	-96.4	-171.2	174.2	-64.7	-178.9	162	-153	0	109.4	E295	K293-E295 WeakPolarHBondContact CD-OE2 3.34Å; K293-E295 WeakPolarHBondContact CE-OE2 3.18Å; K293-E295 IonicContact NZ-OE2 2.76Å; K293-E295 PolarHBondContact NZ-OE2 2.8Å
294	T	28.6	Very low	28.5	Very low	122 Å²	122	138.7 Å²	138.7	75%	0.748	79%	0.785	S	S	*	*			cis	-165.5	153.8	25.9	15.8	0	0	0	0	108.8
295	E	24.4	Very low	28.4	Very low	133 Å²	133	143.1 Å²	143.1	62%	0.621	79%	0.792	S	S	*	*			cis	-158.8	-36.4	-20.7	-151	84.4	-50.6	0	0	112.5	K293	K293-E295 WeakPolarHBondContact CD-OE2 3.34Å; K293-E295 WeakPolarHBondContact CE-OE2 3.18Å; K293-E295 IonicContact NZ-OE2 2.76Å; K293-E295 PolarHBondContact NZ-OE2 2.8Å
296	S	26.7	Very low	28.3	Very low	130 Å²	130	141.5 Å²	141.5	91%	0.909	79%	0.793	S	S	*	*			trans	-167.8	157.6	-169.9	-172.1	0	0	0	0	116.8
297	G	28	Very low	28.3	Very low	75 Å²	75	147.9 Å²	147.9	77%	0.773	80%	0.8	S	S	*	*			trans	174.7	133.7	167.9	0	0	0	0	0	114.8
298	R	29.5	Very low	28.3	Very low	248 Å²	248	146.1 Å²	146.1	94%	0.936	80%	0.802	S	S	*	*			trans	-98.5	160.1	-173.9	-72.1	177.7	171.8	171.5	-3.3	114.5
299	A	26.2	Very low	28.4	Very low	103 Å²	103	144.2 Å²	144.2	85%	0.851	80%	0.801	S	S	*	*			trans	110.7	137.7	136.9	0	0	0	0	0	120.3
300	T	28	Very low	28.6	Very low	134 Å²	134	146.6 Å²	146.6	82%	0.822	81%	0.812	S	S	*	*			trans	-91.2	158.9	158.8	-8.3	0	0	0	0	109.1
301	P	38.8	Very low	29.1	Very low	116 Å²	116	144.9 Å²	144.9	75%	0.753	80%	0.804	S	S	*	*				-153.6	-177.7	80.8	40.7	-19.7	0	0	0	118
302	E	24	Very low	29	Very low	177 Å²	177	141.7 Å²	141.7	83%	0.827	80%	0.803	S	S	*	*			trans	-5.7	141.2	166.9	-62.1	-178.1	93.5	0	0	125.7
303	Q	33.1	Very low	29.2	Very low	156 Å²	156	140.5 Å²	140.5	73%	0.729	80%	0.801	S	S	*	*				25.7	150	127.4	-111.7	-173.4	39.9	0	0	123.1
304	P	37.9	Very low	30.1	Very low	128 Å²	128	138.9 Å²	138.9	83%	0.831	81%	0.806	S	S	*	*				-140.6	-172.2	104.7	39.3	-26.5	0	0	0	116.5
305	R	26.7	Very low	30	Very low	225 Å²	225	137.9 Å²	137.9	85%	0.849	81%	0.81	S	S	*	*			trans	-103.2	169.4	-160.3	-53	164	176.5	152.7	-3	115.1
306	A	23.6	Very low	30	Very low	101 Å²	101	135.9 Å²	135.9	84%	0.835	82%	0.817	S	S	*	*			trans	-140.5	154.1	140.8	0	0	0	0	0	111.2
307	R	26.9	Very low	30.1	Very low	244 Å²	244	135.2 Å²	135.2	92%	0.921	81%	0.812	S	S	*	*			trans	-159.2	134.2	179.3	-97.6	-165	179.9	-165.3	2.2	112
308	S	27.3	Very low	30.3	Very low	117 Å²	117	137.2 Å²	137.2	82%	0.818	81%	0.814	S	S	*	*			trans	172.2	162.7	148.3	55.6	0	0	0	0	108.4
309	S	26.2	Very low	31.6	Very low	112 Å²	112	131 Å²	131	78%	0.783	81%	0.806	S	S	*	*			cis	-154.9	174.4	-7.2	20.1	0	0	0	0	110
310	V	31.1	Very low	31.5	Very low	136 Å²	136	134.7 Å²	134.7	82%	0.824	81%	0.807	S	S	*	*			trans	-117.8	161.2	172.1	-130.9	0	0	0	0	108.7
311	P	40.1	Very low	31.8	Very low	115 Å²	115	132 Å²	132	75%	0.747	80%	0.799	S	S	*	*				-129.1	-153.7	64.7	23.9	2.1	0	0	0	111.5
312	S	26.1	Very low	32.7	Very low	105 Å²	105	132.9 Å²	132.9	73%	0.734	80%	0.804	S	S	*	*			cis	-159.9	168.8	19.5	-52.5	0	0	0	0	113.7
313	S	33.4	Very low	32.6	Very low	119 Å²	119	128 Å²	128	83%	0.832	80%	0.802	S	S	*	*			trans	-135	170.5	160.5	-38.4	0	0	0	0	108.2
314	P	45.2	Very low	32.6	Very low	121 Å²	121	132.2 Å²	132.2	79%	0.786	81%	0.811	S	S	*	*				-154.1	-178.8	60.1	42.8	-21.9	0	0	0	117.9
315	A	26.5	Very low	32.2	Very low	101 Å²	101	131.7 Å²	131.7	84%	0.835	81%	0.806	S	S	*	*			trans	61.2	145.6	155.3	0	0	0	0	0	119.7
316	A	25.1	Very low	32.2	Very low	91 Å²	91	127.4 Å²	127.4	75%	0.752	80%	0.8	S	S	*	*			cis	-160.8	-159.4	-13	0	0	0	0	0	106.8
317	S	27.7	Very low	32.6	Very low	115 Å²	115	128 Å²	128	80%	0.804	79%	0.793	S	S	*	*			cis	-158.2	168.9	12.3	-65.5	0	0	0	0	110.8
318	S	33.3	Very low	32.6	Very low	118 Å²	118	122.6 Å²	122.6	83%	0.825	79%	0.787	S	S	*	*			trans	-146.2	178.1	169.5	-48	0	0	0	0	109.4
319	P	57.1	Low	32.6	Very low	117 Å²	117	127.4 Å²	127.4	76%	0.76	79%	0.787	S	S	*	*			cis	-129.1	-172.4	-14.4	42.3	-26.8	0	0	0	113.1
320	M	24.5	Very low	32.6	Very low	180 Å²	180	127 Å²	127	89%	0.887	78%	0.78	S	S	*	*			trans	174.3	165.3	132.4	-98.8	-168.7	77.5	0	0	114.9
321	A	33.3	Very low	32.4	Very low	78 Å²	78	129.1 Å²	129.1	65%	0.645	78%	0.781	S	S	*	*			trans	-156.6	-176	170	0	0	0	0	0	107.5
322	P	57.4	Low	31.8	Very low	134 Å²	134	128.8 Å²	128.8	87%	0.87	78%	0.781	S	S	*	*			cis	-133.4	-161.3	-3.7	43.7	-25.4	0	0	0	113.8
323	G	23.1	Very low	31.9	Very low	76 Å²	76	126.8 Å²	126.8	78%	0.784	78%	0.778	S	S	*	*			trans	-157.5	160	170.4	0	0	0	0	0	114.3
324	R	31.3	Very low	31.5	Very low	243 Å²	243	126.7 Å²	126.7	92%	0.917	78%	0.777	S	S	*	*			trans	-137.5	168	-178.5	-93	-176.2	170.3	-172	-3.6	109
325	T	31.3	Very low	30.6	Very low	118 Å²	118	125.1 Å²	125.1	72%	0.724	77%	0.768	S	S	*	*			cis	-126.3	-138.7	35.7	50.4	0	0	0	0	112.4
326	D	26.3	Very low	30.7	Very low	134 Å²	134	127.3 Å²	127.3	72%	0.717	77%	0.766	S	S	*	*			cis	-148.6	-156.4	6.9	-146.1	-93.4	0	0	0	114.9
327	V	30.8	Very low	30.8	Very low	114 Å²	114	129.2 Å²	129.2	69%	0.691	77%	0.769	S	S	*	*			trans	-142	167.8	-144.3	-166.1	0	0	0	0	115
328	V	27.5	Very low	30.9	Very low	131 Å²	131	128.7 Å²	128.7	79%	0.794	77%	0.765	S	S	*	*			trans	84.4	141.9	165.3	-173.9	0	0	0	0	116.5
329	R	26.7	Very low	30.6	Very low	218 Å²	218	128.8 Å²	128.8	82%	0.823	77%	0.766	S	S	*	*			cis	-166.4	156.3	-29.7	176.1	172.5	173	105.6	-0.4	110.8
330	T	26.9	Very low	29.3	Very low	103 Å²	103	127.4 Å²	127.4	63%	0.632	76%	0.764	S	S	*	*			trans	-20.2	140.3	163.9	-42.5	0	0	0	0	120.9
331	E	26.7	Very low	30.1	Very low	181 Å²	181	124.3 Å²	124.3	85%	0.846	76%	0.757	S	S	*	*				175.7	140.3	119.8	-89.1	176.2	-162.4	0	0	108
332	S	28.5	Very low	29.8	Very low	107 Å²	107	127.6 Å²	127.6	75%	0.748	76%	0.764	S	S	*	*			cis	103.7	104.4	12.4	79.8	0	0	0	0	116.6
333	G	27	Very low	28.5	Very low	64 Å²	64	126.6 Å²	126.6	66%	0.66	76%	0.755	S	S	*	*			trans	150.6	118.5	170.6	0	0	0	0	0	109.8
334	S	25.5	Very low	28.6	Very low	117 Å²	117	131.7 Å²	131.7	82%	0.818	76%	0.756	S	S	*	*				59.3	131.3	58.4	79.7	0	0	0	0	113.5
335	S	27	Very low	28.3	Very low	87 Å²	87	124.9 Å²	124.9	61%	0.608	75%	0.745	S	S	*	*			cis	172.5	157.7	-11.8	44.6	0	0	0	0	106.9
336	N	28.5	Very low	27.9	Very low	147 Å²	147	130.2 Å²	130.2	79%	0.786	75%	0.752	S	S	*	*			trans	69.6	161	167.1	-45.2	-27.2	0	0	0	114.5
337	T	25.5	Very low	27.9	Very low	132 Å²	132	131.3 Å²	131.3	81%	0.81	76%	0.758	S	S	*	*			cis	-149.4	170.1	-1.5	-14.4	0	0	0	0	111.5
338	S	31.5	Very low	27.8	Very low	104 Å²	104	129.6 Å²	129.6	73%	0.727	76%	0.756	S	S	*	*			trans	-59.9	151	169.7	53.7	0	0	0	0	116.2
339	S	26.4	Very low	27.7	Very low	120 Å²	120	130.3 Å²	130.3	84%	0.839	76%	0.755	S	S	*	*				-176.4	149.6	122.1	56.8	0	0	0	0	114.1
340	A	29.5	Very low	27.7	Very low	87 Å²	87	127.8 Å²	127.8	72%	0.719	75%	0.75	S	S	*	*			trans	-100.8	172	152.4	0	0	0	0	0	107.2
341	P	42.4	Very low	27.6	Very low	115 Å²	115	129.6 Å²	129.6	75%	0.747	76%	0.756	S	S	*	*			cis	-158.1	175.7	46.9	46.1	-24.1	0	0	0	120.1
342	D	26.8	Very low	27.9	Very low	147 Å²	147	128.5 Å²	128.5	79%	0.786	76%	0.756	S	S	*	*			trans	81.1	149.3	134.3	-109.7	-39.1	0	0	0	128.7
343	V	28.8	Very low	27.8	Very low	113 Å²	113	132.2 Å²	132.2	69%	0.685	76%	0.761	S	S	*	*			trans	51.1	117.2	157.3	-174.5	0	0	0	0	121.2
344	K	25.6	Very low	27.8	Very low	183 Å²	183	135.1 Å²	135.1	80%	0.796	77%	0.766	S	S	*	*				178.1	134.3	90	-151.6	156.3	-174.5	173	0	118
345	S	25.7	Very low	27.8	Very low	100 Å²	100	135.9 Å²	135.9	70%	0.699	76%	0.756	S	S	*	*			trans	65.5	153.4	154.8	-78.1	0	0	0	0	120.1
346	R	23.2	Very low	27.8	Very low	231 Å²	231	140.8 Å²	140.8	87%	0.872	76%	0.761	S	S	*	*			cis	-146.6	153	11.7	-132.9	161.9	87.9	171.4	8.5	112.6
347	N	24.8	Very low	27.8	Very low	157 Å²	157	140.4 Å²	140.4	84%	0.84	76%	0.759	S	S	*	*			trans	-87.7	-176.8	178.4	-49.1	-9.4	0	0	0	111.1
348	A	28.7	Very low	27.8	Very low	77 Å²	77	143.9 Å²	143.9	64%	0.636	76%	0.763	S	S	*	*			cis	-156.1	162.2	11	0	0	0	0	0	108.5
349	N	25.9	Very low	27.6	Very low	147 Å²	147	147.2 Å²	147.2	79%	0.786	77%	0.765	S	S	*	*			cis	99.5	166.7	29.6	-158.2	41.3	0	0	0	114.2
350	F	26.8	Very low	27.7	Very low	164 Å²	164	150.6 Å²	150.6	72%	0.719	76%	0.764	S	S	*	*			trans	95.3	140.1	178.3	-64.4	-68.8	0	0	0	117.3
351	D	24.9	Very low	27.5	Very low	141 Å²	141	151.3 Å²	151.3	75%	0.754	76%	0.763	S	S	*	*			cis	-156	-175.6	-13.7	-146	-11.2	0	0	0	113.6
352	L	33.4	Very low	26.7	Very low	159 Å²	159	152.2 Å²	152.2	83%	0.832	77%	0.767	S	S	*	*			trans	-116.4	177.9	173.3	-85.7	169.5	0	0	0	113.8
353	E	26.9	Very low	26.6	Very low	185 Å²	185	153.7 Å²	153.7	86%	0.864	77%	0.766	S	S	*	*			trans	103.4	158.3	154.9	-158.4	161.2	-140.8	0	0	120.2
354	V	26.4	Very low	26.5	Very low	125 Å²	125	154.2 Å²	154.2	76%	0.758	76%	0.764	S	S	*	*			trans	103.7	94.9	163.6	-167.4	0	0	0	0	119.8
355	E	25.6	Very low	26.3	Very low	132 Å²	132	151.8 Å²	151.8	62%	0.617	76%	0.759	S	S	*	*			trans	34	134.9	133.7	-62	-143.2	141	0	0	127
356	R	27.3	Very low	26.9	Very low	190 Å²	190	153.3 Å²	153.3	72%	0.717	77%	0.767	S	S	*	*				63.6	122.2	129.4	-68.2	-178.3	-179.5	136.1	5.4	124
357	L	27	Very low	27.2	Very low	140 Å²	140	151.4 Å²	151.4	73%	0.733	77%	0.765	S	S	*	*			trans	65.6	118.5	131.5	-64.6	170.4	0	0	0	121.8
358	F	25.7	Very low	27.6	Very low	205 Å²	205	149.5 Å²	149.5	90%	0.899	76%	0.762	S	S	*	*				176.9	130.7	127.4	-90.6	-69.3	0	0	0	106.6
359	K	27	Very low	27.7	Very low	174 Å²	174	154 Å²	154	76%	0.757	77%	0.767	S	S	*	*			cis	100	117.2	18.3	-151.1	179.3	-164.1	174.9	0	113.8
360	K	28.6	Very low	27.8	Very low	191 Å²	191	153.8 Å²	153.8	83%	0.83	76%	0.761	S	S	*	*			trans	77.8	151.5	172.3	-70.3	179.3	176.6	-178.1	0	116.6
361	S	25.5	Very low	27.8	Very low	101 Å²	101	151 Å²	151	71%	0.706	76%	0.76	S	S	*	*			cis	-163.3	-178.5	1.5	-118.7	0	0	0	0	113.8
362	V	27.1	Very low	28	Very low	135 Å²	135	151.9 Å²	151.9	82%	0.818	76%	0.764	S	S	*	*			trans	103.7	122.4	164.8	-178.4	0	0	0	0	114.1
363	K	24.9	Very low	27.8	Very low	178 Å²	178	149.1 Å²	149.1	77%	0.774	76%	0.759	S	S	*	*			cis	88.3	145.1	35.9	-98	-163.3	166.8	-160.4	0	115.1
364	I	24.9	Very low	28	Very low	123 Å²	123	146 Å²	146	63%	0.631	75%	0.752	S	S	*	*			cis	-148	174.5	2.4	-159.6	172	0	0	0	111.6
365	D	22.3	Very low	28.3	Very low	132 Å²	132	148.3 Å²	148.3	71%	0.706	76%	0.759	S	S	*	*			trans	-61.3	-173.5	171.3	-44.8	-92.2	0	0	0	114.6
366	P	38.4	Very low	28.5	Very low	133 Å²	133	148 Å²	148	86%	0.864	76%	0.762	S	S	*	*			cis	-136.7	-160.7	3.6	40.4	-18.1	0	0	0	116.2
367	K	29	Very low	28.8	Very low	190 Å²	190	146.4 Å²	146.4	83%	0.826	77%	0.767	S	S	*	*			trans	-127.6	152.1	-162.9	-174.7	-171.7	168.8	178.5	0	115
368	P	34.3	Very low	29	Very low	118 Å²	118	149.5 Å²	149.5	77%	0.766	77%	0.769	S	S	*	*			trans	-80.5	-168.6	165.9	-16.6	33.6	0	0	0	117.5
369	K	29.4	Very low	29.4	Very low	172 Å²	172	146 Å²	146	75%	0.748	76%	0.759	S	S	*	*			trans	-153.6	171.9	-163.9	-155.3	-166.5	168	-160.3	0	112.6
370	E	29.5	Very low	29.5	Very low	142 Å²	142	141 Å²	141	66%	0.664	76%	0.758	S	S	*	*			trans	70.7	155.8	156.8	-80.1	161.7	-163.5	0	0	120.5
371	C	25.2	Very low	29.3	Very low	104 Å²	104	135.3 Å²	135.3	70%	0.703	75%	0.753	S	S	*	*			cis	-172	154.4	-35.9	-120.5	0	0	0	0	114.2
372	L	30.2	Very low	29.3	Very low	160 Å²	160	139.9 Å²	139.9	84%	0.838	76%	0.763	S	S	*	*			trans	62.3	166.2	159.2	-57.4	173.4	0	0	0	117.9
373	S	28.6	Very low	29.3	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	76%	0.763	S	S	*	*			cis	-141.1	143.1	3.8	56.8	0	0	0	0	110.7
374	T	31.7	Very low	30.8	Very low	118 Å²	118	139.2 Å²	139.2	72%	0.724	76%	0.76	S	S	*	*				66.5	111.7	76.5	-35.7	0	0	0	0	117
375	L	31.6	Very low	30.9	Very low	175 Å²	175	142 Å²	142	92%	0.916	77%	0.771	S	S	*	*			trans	-172	166.1	132.6	-105.5	168.2	0	0	0	111.8
376	D	30.6	Very low	31.2	Very low	126 Å²	126	139.6 Å²	139.6	67%	0.674	77%	0.769	S	S	*	*			trans	-146.8	167.5	-164.9	-179.7	31	0	0	0	111.4
377	L	32.9	Very low	30.8	Very low	156 Å²	156	138.6 Å²	138.6	82%	0.817	77%	0.765	S	S	*	*			trans	160.9	166.2	135	-84.9	175.6	0	0	0	116.5
378	R	32.2	Very low	30.8	Very low	205 Å²	205	138 Å²	138	77%	0.774	77%	0.768	S	S	*	*			trans	-135	-176.5	-171.4	-60.8	154.3	50.8	-171.2	-5.5	110
379	D	33.9	Very low	30.5	Very low	130 Å²	130	135.9 Å²	135.9	70%	0.695	77%	0.767	S	S	*	*			cis	-157.6	-172.1	7.5	-128	139.6	0	0	0	107.6
380	G	27.8	Very low	30.7	Very low	70 Å²	70	136.5 Å²	136.5	72%	0.722	77%	0.77	S	S	*	*			cis	171.6	-8.3	1.6	0	0	0	0	0	118.1
381	G	25.5	Very low	30.8	Very low	71 Å²	71	140.3 Å²	140.3	73%	0.732	78%	0.778	S	S	*	*			trans	-165.9	179	-176.1	0	0	0	0	0	114
382	E	26	Very low	31.2	Very low	197 Å²	197	140.6 Å²	140.6	92%	0.921	78%	0.781	S	S	*	*			cis	-149.3	-167.6	1	-80.2	-144.3	93.8	0	0	113.1
383	K	26.8	Very low	31.1	Very low	190 Å²	190	144.3 Å²	144.3	83%	0.826	78%	0.784	S	S	*	*			trans	-91.5	-171.1	-164.9	-96.9	174.7	-172.8	164.4	0	115.8
384	P	56.2	Low	31.2	Very low	109 Å²	109	144.3 Å²	144.3	71%	0.708	78%	0.784	S	S	*	*			cis	-140.4	-157.8	-26.7	34.7	-11.6	0	0	0	114.8
385	E	27.2	Very low	31	Very low	183 Å²	183	145.2 Å²	145.2	86%	0.855	79%	0.789	S	S	*	*			trans	98.6	139.9	161.9	-57.3	-115.7	118.1	0	0	116.3
386	A	27.7	Very low	31.2	Very low	81 Å²	81	142 Å²	142	67%	0.669	78%	0.779	S	S	*	*			cis	-142.3	156.9	8.7	0	0	0	0	0	114.7
387	S	30.5	Very low	31.3	Very low	112 Å²	112	139.4 Å²	139.4	78%	0.783	78%	0.782	S	S	*	*			trans	44	138	132.2	-153.9	0	0	0	0	122.4
388	M	28.8	Very low	31.2	Very low	178 Å²	178	139.3 Å²	139.3	88%	0.877	78%	0.781	S	S	*	*			cis	-168.8	138.2	-13.5	-110.4	-94.2	-96.4	0	0	108.9
389	G	27.8	Very low	31.1	Very low	73 Å²	73	137.5 Å²	137.5	75%	0.753	79%	0.787	S	S	*	*			trans	-178.5	68.6	-177.2	0	0	0	0	0	118.5
390	K	33	Very low	30.9	Very low	184 Å²	184	137.7 Å²	137.7	80%	0.8	79%	0.787	S	S	*	*			trans	1.1	137.3	160.1	-57.2	164.8	-174.4	169.5	0	118.5
391	R	32.1	Very low	30.9	Very low	222 Å²	222	141.7 Å²	141.7	84%	0.838	79%	0.786	S	S	*	*			cis	-171.1	150.4	-2	-119.6	173.5	-180	166.5	-1.5	109.1
392	S	33.4	Very low	31.2	Very low	110 Å²	110	145.6 Å²	145.6	77%	0.769	79%	0.786	S	S	*	*			trans	64.2	121.5	167.9	-52	0	0	0	0	116.6
393	R	29.1	Very low	31.3	Very low	238 Å²	238	141.8 Å²	141.8	90%	0.898	77%	0.772	S	S	*	*			cis	62.9	129.7	15.7	-64.8	-171.7	176.7	-171.8	-1.1	114.4
394	S	30	Very low	31.9	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	77%	0.773	S	S	*	*			cis	-148.4	152.8	11.3	-25.9	0	0	0	0	110.9
395	V	29	Very low	30.9	Very low	137 Å²	137	143 Å²	143	83%	0.83	77%	0.771	S	S	*	*				61.1	135.7	89.5	-176.6	0	0	0	0	112.9
396	P	35	Very low	31.5	Very low	108 Å²	108	141.6 Å²	141.6	70%	0.701	76%	0.764	S	S	*	*			cis	-122.9	177.3	22.7	43.1	-30.6	0	0	0	116.4
397	G	33	Very low	32.1	Very low	71 Å²	71	145.2 Å²	145.2	73%	0.732	77%	0.767	S	S	*	*			trans	-83.2	161.4	156.2	0	0	0	0	0	111.4
398	L	30.3	Very low	32.7	Very low	154 Å²	154	143.6 Å²	143.6	81%	0.806	75%	0.747	S	S	*	*			trans	-128	141	170.6	-72.1	171.9	0	0	0	108.6	I400	L398-I400 PolarHBondContact O-N 2.96Å
399	D	31.2	Very low	33.5	Very low	166 Å²	166	139.7 Å²	139.7	89%	0.888	73%	0.73	S	S	*	*			trans	-60.9	121.9	156.3	-70.5	-69	0	0	0	108.2
400	I	29.6	Very low	34.2	Very low	135 Å²	135	141.4 Å²	141.4	69%	0.692	72%	0.721	S	S	*	*			trans	-100.4	96.4	162.2	-62.1	-178.1	0	0	0	106.8	L398	L398-I400 PolarHBondContact O-N 2.96Å
401	Q	27.7	Very low	34.7	Very low	153 Å²	153	137.1 Å²	137.1	72%	0.715	71%	0.707	S	S	*	*			trans	-77.1	131.3	163.7	176.6	176.4	-5.5	0	0	108.4
402	E	31.4	Very low	35.3	Very low	153 Å²	153	132 Å²	132	72%	0.715	69%	0.688	S	S	*	*			trans	63.2	95	166.2	-68	161.3	-134.7	0	0	118
403	D	27.6	Very low	36	Very low	118 Å²	118	133.1 Å²	133.1	63%	0.631	68%	0.684	S	S	*	*			trans	-124.8	59.7	157.4	-88	-51.9	0	0	0	110.7
404	E	39	Very low	36.9	Very low	184 Å²	184	124.8 Å²	124.8	86%	0.86	66%	0.659	S	S	*	*			trans	-77.6	-5.8	167	-76.8	-155.8	152.9	0	0	112.9
405	E	35.7	Very low	37.4	Very low	139 Å²	139	122.8 Å²	122.8	65%	0.65	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-16.7	-175.2	-64.2	-147.4	136.7	0	0	114.1	E407 E408 K656	E405-E407 PolarHBondContact O-N 2.83Å; E405-E408 PolarHBondContact O-N 3.3Å; E405-K656 IonicContact OE1-NZ 2.79Å; E405-K656 PolarHBondContact OE1-NZ 3.41Å
406	E	39.3	Very low	37.8	Very low	154 Å²	154	123.5 Å²	123.5	72%	0.72	64%	0.637	S	S	*	*	H	α-helix	trans	-64.4	-30	-177.9	-69.7	-155.7	140.1	0	0	114.6	E408	E406-E408 VanDerWaalsContact C-N 3.35Å; E406-E408 PolarHBondContact O-N 3.04Å
407	E	40.6	Very low	38.1	Very low	158 Å²	158	123.9 Å²	123.9	74%	0.738	63%	0.63	S	S	*	*	H	α-helix	trans	-68.9	-28.1	-179.8	-79.1	-158.1	158.6	0	0	113.1	E405	E405-E407 PolarHBondContact O-N 2.83Å
408	E	44.3	Very low	38.5	Very low	77 Å²	77	126.9 Å²	126.9	36%	0.36	62%	0.623	S	S	.	*	H	α-helix	trans	-77.9	-31.5	-173	-69	-145.6	163.7	0	0	114.1	E405 E406 I410 D411 R412 K659	E405-E408 PolarHBondContact O-N 3.3Å; E406-E408 VanDerWaalsContact C-N 3.35Å; E406-E408 PolarHBondContact O-N 3.04Å; E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 2.84Å; E408-D411 PolarHBondContact O-N 2.96Å; E408-R412 WeakPolarHBondContact O-CG 3.49Å; E408-R412 PolarHBondContact O-N 2.91Å; E408-R412 IonicContact OE2-CZ 2.8Å; E408-R412 IonicContact OE2-NH2 3.14Å; E408-R412 PolarHBondContact OE2-NH2 3.4Å; E408-K659 IonicContact OE1-NZ 3.89Å; E408-K659 PolarHBondContact OE1-NZ 3.44Å
409	D	45.2	Very low	38.7	Very low	96 Å²	96	126 Å²	126	51%	0.513	62%	0.616	S	S	.	*	H	α-helix	trans	-74.8	-22	-179.2	-91.5	-1.4	0	0	0	112.5	R412 L413	D409-R412 PolarHBondContact O-N 2.97Å; D409-R412 WeakPolarHBondContact OD1-CD 3.47Å; D409-R412 IonicContact OD1-CZ 3.81Å; D409-R412 IonicContact OD1-NE 3.18Å; D409-R412 IonicContact OD1-NH1 2.66Å; D409-R412 PolarHBondContact OD1-NH1 3.07Å; D409-L413 VanDerWaalsContact O-CB 3.3Å; D409-L413 WeakPolarHBondContact O-CB 3.17Å; D409-L413 PolarHBondContact O-N 2.99Å
410	I	42.2	Very low	38.9	Very low	110 Å²	110	121.6 Å²	121.6	56%	0.564	60%	0.598	S	S	*	*	H	α-helix	trans	-61.7	-49.6	170.4	-56.9	175	0	0	0	110.2	E408 R412 L413 V414	E408-I410 VanDerWaalsContact C-N 3.3Å; E408-I410 PolarHBondContact O-N 2.84Å; I410-R412 VanDerWaalsContact C-N 3.32Å; I410-R412 PolarHBondContact O-N 3.26Å; I410-L413 PolarHBondContact O-N 3.28Å; I410-V414 WeakPolarHBondContact O-CG2 3.21Å; I410-V414 PolarHBondContact O-N 3.03Å
411	D	44.2	Very low	39.3	Very low	93 Å²	93	120.5 Å²	120.5	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-62.8	-38.4	178.1	-102.9	-15.5	0	0	0	111.4	E408 S415	E408-D411 PolarHBondContact O-N 2.96Å; D411-S415 WeakPolarHBondContact O-CB 3.09Å; D411-S415 PolarHBondContact O-N 3.39Å
412	R	44.4	Very low	39.7	Very low	116 Å²	116	116.6 Å²	116.6	44%	0.438	59%	0.586	S	S	.	*	H	α-helix	trans	-64.8	-46.7	174.6	-66.8	179.6	-161.1	146	5.6	111.7	E408 D409 I410 V414 S415 F416	E408-R412 WeakPolarHBondContact O-CG 3.49Å; E408-R412 PolarHBondContact O-N 2.91Å; E408-R412 IonicContact OE2-CZ 2.8Å; E408-R412 IonicContact OE2-NH2 3.14Å; E408-R412 PolarHBondContact OE2-NH2 3.4Å; D409-R412 PolarHBondContact O-N 2.97Å; D409-R412 WeakPolarHBondContact OD1-CD 3.47Å; D409-R412 IonicContact OD1-CZ 3.81Å; D409-R412 IonicContact OD1-NE 3.18Å; D409-R412 IonicContact OD1-NH1 2.66Å; D409-R412 PolarHBondContact OD1-NH1 3.07Å; I410-R412 VanDerWaalsContact C-N 3.32Å; I410-R412 PolarHBondContact O-N 3.26Å; R412-V414 VanDerWaalsContact C-N 3.34Å; R412-V414 PolarHBondContact O-N 2.66Å; R412-S415 WeakPolarHBondContact O-CA 3.31Å; R412-S415 WeakPolarHBondContact O-CB 3.39Å; R412-S415 PolarHBondContact O-N 3.18Å; R412-S415 PolarHBondContact O-OG 2.68Å; R412-F416 WeakPolarHBondContact O-CD2 3.35Å; R412-F416 PolarHBondContact O-N 2.77Å
413	L	46.7	Very low	39.7	Very low	132 Å²	132	120.2 Å²	120.2	69%	0.691	59%	0.593	S	S	*	*	H	α-helix	trans	-62.7	-40.8	-179.8	-154.7	72	0	0	0	111.4	D409 I410 F416 H417	D409-L413 VanDerWaalsContact O-CB 3.3Å; D409-L413 WeakPolarHBondContact O-CB 3.17Å; D409-L413 PolarHBondContact O-N 2.99Å; I410-L413 PolarHBondContact O-N 3.28Å; L413-F416 PolarHBondContact O-N 2.8Å; L413-H417 PolarHBondContact O-N 2.92Å
414	V	48.5	Very low	39.9	Very low	63 Å²	63	118.8 Å²	118.8	38%	0.382	59%	0.592	S	S	.	*	H	α-helix	trans	-65.3	-36.9	172.2	172.1	0	0	0	0	111.8	I410 R412 H417 K418	I410-V414 WeakPolarHBondContact O-CG2 3.21Å; I410-V414 PolarHBondContact O-N 3.03Å; R412-V414 VanDerWaalsContact C-N 3.34Å; R412-V414 PolarHBondContact O-N 2.66Å; V414-H417 PolarHBondContact O-N 2.81Å; V414-K418 HydrophobicContact CG1-CD 4.36Å; V414-K418 PolarHBondContact O-N 2.82Å
415	S	39.9	Very low	39.5	Very low	61 Å²	61	115.9 Å²	115.9	43%	0.427	59%	0.587	S	S	.	*	H	α-helix	trans	-64.7	-41.6	176.1	84.2	0	0	0	0	112.5	D411 R412 H417 K418 M419	D411-S415 WeakPolarHBondContact O-CB 3.09Å; D411-S415 PolarHBondContact O-N 3.39Å; R412-S415 WeakPolarHBondContact O-CA 3.31Å; R412-S415 WeakPolarHBondContact O-CB 3.39Å; R412-S415 PolarHBondContact O-N 3.18Å; R412-S415 PolarHBondContact O-OG 2.68Å; S415-H417 VanDerWaalsContact C-N 3.33Å; S415-H417 PolarHBondContact O-N 3.45Å; S415-K418 PolarHBondContact O-N 3.28Å; S415-M419 WeakPolarHBondContact O-CB 3.39Å; S415-M419 PolarHBondContact O-N 3.45Å
416	F	37.4	Very low	39.4	Very low	152 Å²	152	114.3 Å²	114.3	67%	0.667	59%	0.591	S	S	*	*	H	α-helix	trans	-63.3	-39.3	172.6	-82.7	-72.4	0	0	0	111.6	R412 L413 M419 S420	R412-F416 WeakPolarHBondContact O-CD2 3.35Å; R412-F416 PolarHBondContact O-N 2.77Å; L413-F416 PolarHBondContact O-N 2.8Å; F416-M419 PolarHBondContact O-N 2.96Å; F416-S420 WeakPolarHBondContact O-CB 3.37Å; F416-S420 PolarHBondContact O-N 2.63Å
417	H	42.9	Very low	39.4	Very low	117 Å²	117	110.6 Å²	110.6	54%	0.542	58%	0.583	S	S	.	*	H	α-helix	trans	-65.5	-43	176.9	-142.9	82.8	0	0	0	112.1	L413 V414 S415 M419 S420 M421	L413-H417 PolarHBondContact O-N 2.92Å; V414-H417 PolarHBondContact O-N 2.81Å; S415-H417 VanDerWaalsContact C-N 3.33Å; S415-H417 PolarHBondContact O-N 3.45Å; H417-M419 PolarHBondContact O-N 2.87Å; H417-S420 PolarHBondContact O-N 3.01Å; H417-M421 WeakPolarHBondContact O-CG 3.38Å; H417-M421 PolarHBondContact O-N 2.86Å
418	K	39.5	Very low	39	Very low	133 Å²	133	108.1 Å²	108.1	58%	0.578	57%	0.574	S	S	*	*	H	α-helix	trans	-60	-43.1	172.4	-77	176.8	176.3	172.6	0	111.7	V414 S415 S420 M421 A422	V414-K418 HydrophobicContact CG1-CD 4.36Å; V414-K418 PolarHBondContact O-N 2.82Å; S415-K418 PolarHBondContact O-N 3.28Å; K418-S420 PolarHBondContact O-N 2.98Å; K418-M421 PolarHBondContact O-N 2.82Å; K418-A422 PolarHBondContact O-N 3.5Å
419	M	36.5	Very low	38.5	Very low	135 Å²	135	110.1 Å²	110.1	67%	0.665	58%	0.583	S	S	*	*	H	α-helix	trans	-66	-36.3	178.3	-155.8	76.1	76.6	0	0	112.7	S415 F416 H417	S415-M419 WeakPolarHBondContact O-CB 3.39Å; S415-M419 PolarHBondContact O-N 3.45Å; F416-M419 PolarHBondContact O-N 2.96Å; H417-M419 PolarHBondContact O-N 2.87Å
420	S	34.7	Very low	37.9	Very low	74 Å²	74	109.5 Å²	109.5	52%	0.517	59%	0.587	S	S	.	*	H	α-helix	trans	-69.5	-43.1	176.2	-172.1	0	0	0	0	112.2	F416 H417 K418 A422 R423 S424	F416-S420 WeakPolarHBondContact O-CB 3.37Å; F416-S420 PolarHBondContact O-N 2.63Å; H417-S420 PolarHBondContact O-N 3.01Å; K418-S420 PolarHBondContact O-N 2.98Å; S420-A422 VanDerWaalsContact C-N 3.34Å; S420-A422 PolarHBondContact O-N 2.65Å; S420-R423 PolarHBondContact O-N 2.83Å; S420-S424 PolarHBondContact O-OG 3.12Å
421	M	37	Very low	37.4	Very low	112 Å²	112	106 Å²	106	55%	0.552	57%	0.571	S	S	*	*	H	α-helix	trans	-62.8	-39.1	175.1	-74.8	-175.5	168.7	0	0	112.2	H417 K418 R423 S424	H417-M421 WeakPolarHBondContact O-CG 3.38Å; H417-M421 PolarHBondContact O-N 2.86Å; K418-M421 PolarHBondContact O-N 2.82Å; M421-R423 PolarHBondContact O-N 2.89Å; M421-R423 VanDerWaalsContact O-N 3.11Å; M421-S424 PolarHBondContact O-N 3.42Å
422	A	36.1	Very low	36.9	Very low	72 Å²	72	110.1 Å²	110.1	60%	0.595	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-19.2	177.9	0	0	0	0	0	114.5	K418 S420	K418-A422 PolarHBondContact O-N 3.5Å; S420-A422 VanDerWaalsContact C-N 3.34Å; S420-A422 PolarHBondContact O-N 2.65Å
423	R	31.8	Very low	36.5	Very low	228 Å²	228	110.1 Å²	110.1	86%	0.86	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-3.2	174.7	-71.7	-175.1	130.3	155.3	-1.2	114.3	S420 M421	S420-R423 PolarHBondContact O-N 2.83Å; M421-R423 PolarHBondContact O-N 2.89Å; M421-R423 VanDerWaalsContact O-N 3.11Å
424	S	31.1	Very low	36	Very low	88 Å²	88	109.4 Å²	109.4	62%	0.615	60%	0.598	S	S	*	*	S	Bend	trans	-119.2	7.6	-170	-53.5	0	0	0	0	114.2	S420 M421 S426	S420-S424 PolarHBondContact O-OG 3.12Å; M421-S424 PolarHBondContact O-N 3.42Å; S424-S426 PolarHBondContact O-N 3.32Å
425	T	31.5	Very low	35.6	Very low	123 Å²	123	111.6 Å²	111.6	76%	0.755	61%	0.611	S	S	*	*			trans	-92.5	59.6	-176.4	50.3	0	0	0	0	113.5
426	S	33.3	Very low	35.4	Very low	106 Å²	106	110.5 Å²	110.5	74%	0.741	60%	0.604	S	S	*	*	S	Bend	trans	-127.1	127.7	157.3	60.1	0	0	0	0	109.6	S424	S424-S426 PolarHBondContact O-N 3.32Å
427	S	39.2	Very low	35.2	Very low	77 Å²	77	109.5 Å²	109.5	54%	0.538	60%	0.604	S	S	.	*	S	Bend	trans	60.2	91.6	-171.3	-163.4	0	0	0	0	116.6	Y128	Y128-S427 WeakPolarHBondContact CE2-OG 3.43Å
428	L	32.3	Very low	34.9	Very low	106 Å²	106	110.6 Å²	110.6	56%	0.555	60%	0.604	S	S	*	*				-178	120.3	124.5	-99.1	171.4	0	0	0	110.6	Y128	Y128-L428 WeakPolarHBondContact OH-CD1 3.33Å; Y128-L428 VanDerWaalsContact OH-CG 3.29Å; Y128-L428 WeakPolarHBondContact OH-CG 3.33Å
429	Q	33.6	Very low	34.9	Very low	118 Å²	118	105.7 Å²	105.7	55%	0.551	59%	0.587	S	S	*	*			trans	-135.4	162.5	174.9	-74.2	177.6	-13.3	0	0	110.2	R547	Q429-R547 VanDerWaalsContact OE1-NH1 3.11Å
430	S	32.8	Very low	34.9	Very low	84 Å²	84	106.1 Å²	106.1	59%	0.587	59%	0.587	S	S	*	*			trans	84.1	124.6	-175.2	-158.2	0	0	0	0	114.8
431	S	33	Very low	34.8	Very low	35 Å²	35	105.6 Å²	105.6	25%	0.245	58%	0.584	C	S	.	*			cis	-139.9	136	9.6	-108.6	0	0	0	0	115.2
432	K	33.5	Very low	35	Very low	180 Å²	180	103.9 Å²	103.9	78%	0.783	60%	0.595	S	S	*	*			trans	57	84.6	133.1	-59	170.2	-172.2	177.1	0	118.7
433	S	36.2	Very low	35.1	Very low	117 Å²	117	106.5 Å²	106.5	82%	0.818	60%	0.598	S	S	*	*	S	Bend		-167.2	70.1	108.6	-153.7	0	0	0	0	112.8
434	M	34.4	Very low	35.7	Very low	117 Å²	117	98.7 Å²	98.7	58%	0.576	57%	0.571	S	S	*	*			trans	-146.2	56	176.5	-68.4	-161.4	-69.2	0	0	111.7	S436 Y438	M434-S436 PolarHBondContact O-N 2.89Å; M434-Y438 HydrophobicContact CB-CD2 4.19Å; M434-Y438 HydrophobicContact CB-CE2 4.14Å; M434-Y438 HydrophobicContact CE-CE2 3.74Å; M434-Y438 HydrophobicContact SD-CE2 4.26Å
435	T	41.4	Very low	36.6	Very low	108 Å²	108	100 Å²	100	66%	0.663	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	23.3	-167.4	41.2	0	0	0	0	115.9
436	S	35.6	Very low	37.7	Very low	39 Å²	39	99.9 Å²	99.9	27%	0.273	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.6	-65.1	170.5	39.5	0	0	0	0	111.8	M434 Y438 S439 H500	M434-S436 PolarHBondContact O-N 2.89Å; S436-Y438 VanDerWaalsContact C-N 3.25Å; S436-Y438 PolarHBondContact O-N 2.75Å; S436-Y438 VanDerWaalsContact O-N 3.16Å; S436-S439 VanDerWaalsContact O-CB 3.3Å; S436-S439 WeakPolarHBondContact O-CB 3.16Å; S436-S439 PolarHBondContact O-N 3.04Å; S436-S439 PolarHBondContact O-OG 3.05Å; S436-H500 WeakPolarHBondContact CB-NE2 3.18Å; S436-H500 PolarHBondContact OG-NE2 3.5Å
437	I	31.9	Very low	39.6	Very low	131 Å²	131	96.3 Å²	96.3	67%	0.672	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-56	-36.3	-171.1	-59.3	177.7	0	0	0	112.5	S439	I437-S439 PolarHBondContact O-N 3.44Å; I437-S439 VanDerWaalsContact O-N 3.12Å
438	Y	36.5	Very low	41.5	Very low	139 Å²	139	100.8 Å²	100.8	55%	0.545	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-79.4	17.6	178.3	-66.5	-85.8	0	0	0	114.8	M434 S436 E440	M434-Y438 HydrophobicContact CB-CD2 4.19Å; M434-Y438 HydrophobicContact CB-CE2 4.14Å; M434-Y438 HydrophobicContact CE-CE2 3.74Å; M434-Y438 HydrophobicContact SD-CE2 4.26Å; S436-Y438 VanDerWaalsContact C-N 3.25Å; S436-Y438 PolarHBondContact O-N 2.75Å; S436-Y438 VanDerWaalsContact O-N 3.16Å; Y438-E440 PolarHBondContact O-N 3.25Å
439	S	41	Very low	44.1	Very low	30 Å²	30	97.5 Å²	97.5	21%	0.21	55%	0.545	C	S	.	.	G	3₁₀ helix	trans	-83.5	2.7	172.4	-50.5	0	0	0	0	113.5	S436 I437 K576	S436-S439 VanDerWaalsContact O-CB 3.3Å; S436-S439 WeakPolarHBondContact O-CB 3.16Å; S436-S439 PolarHBondContact O-N 3.04Å; S436-S439 PolarHBondContact O-OG 3.05Å; I437-S439 PolarHBondContact O-N 3.44Å; I437-S439 VanDerWaalsContact O-N 3.12Å; S439-K576 PolarHBondContact O-NZ 2.99Å
440	E	36.2	Very low	46.7	Very low	144 Å²	144	94.3 Å²	94.3	67%	0.673	54%	0.536	S	S	*	.	S	Bend	trans	-126.7	-12.4	-172	-159.7	150.7	-127.9	0	0	112.3	Y438 G442 K498	Y438-E440 PolarHBondContact O-N 3.25Å; E440-G442 PolarHBondContact O-N 2.68Å; E440-K498 IonicContact OE1-NZ 2.63Å; E440-K498 PolarHBondContact OE1-NZ 3.45Å
441	S	32.9	Very low	49.5	Very low	64 Å²	64	91.6 Å²	91.6	45%	0.448	52%	0.521	S	S	.	.	S	Bend	trans	-74.6	105.9	168.2	-49.6	0	0	0	0	109.2	D443	S441-D443 PolarHBondContact O-N 2.9Å
442	G	40.8	Very low	52.5	Low	76 Å²	76	91.1 Å²	91.1	78%	0.784	52%	0.516	S	S	*	.	S	Bend	trans	-72.1	56.8	-169.8	0	0	0	0	0	116.2	E440	E440-G442 PolarHBondContact O-N 2.68Å
443	D	37.3	Very low	55.5	Low	126 Å²	126	82.6 Å²	82.6	67%	0.674	48%	0.479	S	S	*	.			trans	-120.9	57.9	175.8	-165.4	38.4	0	0	0	108.6	S441	S441-D443 PolarHBondContact O-N 2.9Å
444	F	45.3	Very low	58.4	Low	65 Å²	65	77.6 Å²	77.6	29%	0.285	44%	0.443	S	S	.	.			trans	-89.4	141.8	176.4	-60.9	-72.7	0	0	0	109.4	S446 W540 F550 K576	F444-S446 PolarHBondContact O-N 2.69Å; F444-W540 HydrophobicContact CD1-CZ3 4.45Å; F444-W540 AromaticContact CE1-CH2 3.84Å; F444-W540 HydrophobicContact CE1-CH2 3.84Å; F444-W540 AromaticContact CE1-CZ3 3.99Å; F444-W540 HydrophobicContact CE1-CZ3 3.99Å; F444-W540 HydrophobicContact CZ-CH2 4.42Å; F444-F550 HydrophobicContact CD1-CB 4.19Å; F444-K576 HydrophobicContact CE2-CD 3.87Å; F444-K576 HydrophobicContact CZ-CD 4.24Å
445	D	49.8	Very low	61.3	Low	116 Å²	116	72 Å²	72	62%	0.62	42%	0.416	S	S	*	.			trans	-47.4	128.3	163.3	-101.2	-47.9	0	0	0	108.7	V447	D445-V447 HydrophobicContact CB-CG2 4.39Å; D445-V447 PolarHBondContact O-N 2.7Å
446	S	54.9	Low	63.8	Low	120 Å²	120	67.6 Å²	67.6	84%	0.839	39%	0.389	S	S	*	.			trans	-77.9	62.3	-169.7	62.7	0	0	0	0	112	F444	F444-S446 PolarHBondContact O-N 2.69Å
447	V	72.9	Confident	66.6	Low	30 Å²	30	65.9 Å²	65.9	18%	0.182	38%	0.377	C	S	.	.			trans	-75.2	121.5	173.9	-178.5	0	0	0	0	108.5	D445 V449 A477 A549 L551	D445-V447 HydrophobicContact CB-CG2 4.39Å; D445-V447 PolarHBondContact O-N 2.7Å; V447-V449 PolarHBondContact O-N 2.88Å; V447-A477 HydrophobicContact CG1-CB 3.4Å; V447-A549 HydrophobicContact CG2-CB 4.31Å; V447-L551 HydrophobicContact CG1-CD2 4.11Å
448	E	78.8	Confident	69.5	Low	172 Å²	172	64.7 Å²	64.7	80%	0.804	37%	0.367	S	S	*	.			trans	-65.4	105.6	173.6	-66	-175.7	158.7	0	0	109.7	S450 A477	E448-S450 PolarHBondContact O-N 2.99Å; E448-S450 PolarHBondContact O-OG 3.37Å; E448-S450 VanDerWaalsContact O-OG 3.12Å; E448-A477 VanDerWaalsContact O-CB 3.25Å; E448-A477 WeakPolarHBondContact O-CB 3.4Å
449	V	87.3	Confident	72.2	Confident	37 Å²	37	58.7 Å²	58.7	22%	0.224	34%	0.344	C	S	.	.			trans	-63.3	127.6	-177.4	172	0	0	0	0	109.9	V447 F550 L573 A575	V447-V449 PolarHBondContact O-N 2.88Å; V449-F550 HydrophobicContact CG2-CD1 4.22Å; V449-F550 HydrophobicContact CG2-CE1 4.1Å; V449-L573 HydrophobicContact CG1-CB 3.97Å; V449-L573 WeakPolarHBondContact CG1-O 3.18Å; V449-A575 HydrophobicContact CB-CB 4.22Å; V449-A575 HydrophobicContact CG2-CB 4.14Å
450	S	87.6	Confident	74.5	Confident	51 Å²	51	59 Å²	59	36%	0.357	34%	0.343	S	S	.	.			trans	-150.8	155	-174.6	37.5	0	0	0	0	109.7	E448 G475 L476 A477	E448-S450 PolarHBondContact O-N 2.99Å; E448-S450 PolarHBondContact O-OG 3.37Å; E448-S450 VanDerWaalsContact O-OG 3.12Å; S450-G475 CarbonylContact C-O 3.54Å; S450-L476 WeakPolarHBondContact O-CA 3.42Å; S450-A477 WeakPolarHBondContact OG-CA 3.31Å; S450-A477 WeakPolarHBondContact OG-CB 3.38Å; S450-A477 PolarHBondContact OG-N 3.09Å
451	G	92.3	Very high	77	Confident	27 Å²	27	57.5 Å²	57.5	28%	0.278	34%	0.336	S	S	.	.			trans	94.9	-173.8	-178.6	0	0	0	0	0	114.6	N474 G475 L573	G451-N474 CarbonylContact C-O 3.57Å; G451-N474 WeakPolarHBondContact CA-O 3.45Å; G451-G475 VanDerWaalsContact CA-O 3.29Å; G451-G475 WeakPolarHBondContact CA-O 3.4Å; G451-G475 PolarHBondContact N-O 2.99Å; G451-L573 PolarHBondContact O-N 3.18Å
452	D	95.3	Very high	79.6	Confident	25 Å²	25	63.4 Å²	63.4	13%	0.134	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	172.6	-178.3	63.4	39.6	0	0	0	112.2	C473 N474 Q570 M571	D452-C473 WeakPolarHBondContact O-CA 3.32Å; D452-C473 WeakPolarHBondContact O-CB 3.22Å; D452-N474 PolarHBondContact N-O 2.81Å; D452-N474 PolarHBondContact O-N 2.93Å; D452-N474 WeakPolarHBondContact OD1-CB 3.41Å; D452-N474 PolarHBondContact OD1-N 3.26Å; D452-N474 VanDerWaalsContact OD1-N 3.16Å; D452-N474 PolarHBondContact OD1-ND2 2.91Å; D452-Q570 HydrophobicContact CB-CG 4.28Å; D452-Q570 PolarHBondContact OD2-NE2 2.91Å; D452-M571 CarbonylContact C-O 3.45Å; D452-M571 WeakPolarHBondContact CA-O 3.3Å; D452-M571 WeakPolarHBondContact CB-O 3.42Å
453	V	96.5	Very high	81.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.5	166.6	58.8	0	0	0	0	110	F455 I537 V554 Q570 M571 L573	V453-F455 HydrophobicContact CG1-CD1 4.22Å; V453-F455 HydrophobicContact CG1-CE1 4.47Å; V453-F455 HydrophobicContact CG2-CD1 4.39Å; V453-I537 HydrophobicContact CG2-CG2 4.42Å; V453-V554 HydrophobicContact CG1-CG1 4.44Å; V453-V554 HydrophobicContact CG1-CG2 3.65Å; V453-Q570 WeakPolarHBondContact O-CA 3.33Å; V453-M571 PolarHBondContact N-O 3.06Å; V453-M571 PolarHBondContact O-N 3.29Å; V453-L573 HydrophobicContact CB-CD2 4.27Å; V453-L573 HydrophobicContact CG1-CD2 3.98Å
454	V	96.7	Very high	84.2	Confident	12 Å²	12	62.1 Å²	62.1	7%	0.073	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.2	172.2	-173.1	0	0	0	0	108.3	K471 Q472 E568 E569 Q570	V454-K471 HydrophobicContact CB-CB 4.43Å; V454-K471 HydrophobicContact CG1-CB 4.27Å; V454-K471 HydrophobicContact CG1-CD 4.04Å; V454-K471 WeakPolarHBondContact O-CB 3.29Å; V454-K471 PolarHBondContact O-N 3.25Å; V454-Q472 HydrophobicContact CB-CG 4.13Å; V454-Q472 HydrophobicContact CG2-CG 4.14Å; V454-Q472 PolarHBondContact N-O 3.03Å; V454-Q472 PolarHBondContact O-N 2.9Å; V454-E568 HydrophobicContact CG1-CB 4.43Å; V454-E569 WeakPolarHBondContact CA-O 3.5Å; V454-Q570 HydrophobicContact CG2-CB 4.21Å; V454-Q570 HydrophobicContact CG2-CG 3.99Å
455	F	96.1	Very high	86.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	167.5	-179.9	66.1	-82.8	0	0	0	110.6	V453 L457 F469 I470 I537 A556 E568 E569 M571	V453-F455 HydrophobicContact CG1-CD1 4.22Å; V453-F455 HydrophobicContact CG1-CE1 4.47Å; V453-F455 HydrophobicContact CG2-CD1 4.39Å; F455-L457 HydrophobicContact CD2-CD2 3.9Å; F455-L457 HydrophobicContact CD2-CG 4.06Å; F455-L457 HydrophobicContact CE2-CD1 4.08Å; F455-L457 HydrophobicContact CE2-CD2 3.96Å; F455-L457 HydrophobicContact CE2-CG 3.85Å; F455-F469 CarbonylContact C-O 3.57Å; F455-F469 WeakPolarHBondContact CA-O 3.29Å; F455-F469 VanDerWaalsContact CB-O 3.29Å; F455-F469 WeakPolarHBondContact CB-O 3.12Å; F455-I470 HydrophobicContact CB-CD1 3.98Å; F455-I537 HydrophobicContact CB-CD1 4.4Å; F455-I537 HydrophobicContact CD1-CD1 3.71Å; F455-I537 HydrophobicContact CD2-CD1 3.87Å; F455-I537 HydrophobicContact CE1-CD1 3.88Å; F455-I537 HydrophobicContact CE2-CD1 4.04Å; F455-I537 HydrophobicContact CG-CD1 3.72Å; F455-I537 HydrophobicContact CZ-CD1 4.04Å; F455-A556 HydrophobicContact CE2-CB 4.5Å; F455-A556 HydrophobicContact CZ-CB 4.2Å; F455-E568 WeakPolarHBondContact O-CA 3.36Å; F455-E569 HydrophobicContact CE1-CB 4.46Å; F455-E569 HydrophobicContact CE2-CB 4.47Å; F455-E569 HydrophobicContact CZ-CB 4.22Å; F455-E569 PolarHBondContact N-O 3.1Å; F455-E569 PolarHBondContact O-N 2.83Å; F455-M571 HydrophobicContact CE1-CB 4.33Å; F455-M571 HydrophobicContact CE1-CG 3.94Å; F455-M571 HydrophobicContact CE1-SD 3.82Å; F455-M571 HydrophobicContact CZ-CG 4.34Å; F455-M571 HydrophobicContact CZ-SD 3.73Å
456	S	94.6	Very high	88.3	Confident	15 Å²	15	54 Å²	54	11%	0.105	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.3	164.9	66	0	0	0	0	112	F469 G566 R567	S456-F469 PolarHBondContact N-O 3.37Å; S456-F469 PolarHBondContact O-N 2.78Å; S456-G566 WeakPolarHBondContact CB-O 3.26Å; S456-G566 PolarHBondContact OG-O 3.14Å; S456-R567 WeakPolarHBondContact CA-O 3.16Å; S456-R567 WeakPolarHBondContact CB-O 3.38Å
457	L	93.5	Very high	90.2	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.8	-179.3	-55.7	178.3	0	0	0	108.9	F455 V468 L535 L558 L563 G566	F455-L457 HydrophobicContact CD2-CD2 3.9Å; F455-L457 HydrophobicContact CD2-CG 4.06Å; F455-L457 HydrophobicContact CE2-CD1 4.08Å; F455-L457 HydrophobicContact CE2-CD2 3.96Å; F455-L457 HydrophobicContact CE2-CG 3.85Å; L457-V468 HydrophobicContact CD2-CB 4.36Å; L457-V468 HydrophobicContact CD2-CG1 4.14Å; L457-V468 HydrophobicContact CD2-CG2 3.95Å; L457-L535 HydrophobicContact CD2-CD2 3.52Å; L457-L558 HydrophobicContact CD1-CD2 3.65Å; L457-L563 HydrophobicContact CB-CD2 3.66Å; L457-L563 HydrophobicContact CD1-CD2 4.23Å; L457-G566 WeakPolarHBondContact O-CA 3.3Å
458	K	93.1	Very high	91.3	Very high	105 Å²	105	48.4 Å²	48.4	46%	0.457	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.6	172.3	-179.9	159.8	-176.4	151.3	0	110.3	H467 L563	K458-H467 HydrophobicContact CB-CB 4.5Å; K458-H467 PolarHBondContact N-O 2.91Å; K458-H467 WeakPolarHBondContact O-CA 3.42Å; K458-H467 WeakPolarHBondContact O-CB 3.33Å; K458-H467 PolarHBondContact O-N 2.85Å; K458-L563 CarbonylContact C-O 3.58Å; K458-L563 VanDerWaalsContact CA-O 3.3Å; K458-L563 WeakPolarHBondContact CA-O 3.36Å
459	Y	92.4	Very high	92.1	Very high	13 Å²	13	42.7 Å²	42.7	5%	0.051	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.9	167.8	-171.3	-109.1	0	0	0	110	E461 Q464 S465 I525 R527 L530 L563	Y459-E461 HydrophobicContact CD1-CB 4.19Å; Y459-E461 HydrophobicContact CE1-CB 3.86Å; Y459-E461 HydrophobicContact CE1-CG 4.01Å; Y459-Q464 WeakPolarHBondContact OH-CA 3.4Å; Y459-S465 WeakPolarHBondContact CD2-O 3.17Å; Y459-I525 WeakPolarHBondContact CE2-O 3.46Å; Y459-I525 PolarHBondContact OH-O 2.72Å; Y459-R527 HydrophobicContact CD1-CB 4.39Å; Y459-R527 HydrophobicContact CD1-CG 4.21Å; Y459-R527 HydrophobicContact CE1-CB 3.64Å; Y459-R527 HydrophobicContact CE1-CG 3.95Å; Y459-R527 HydrophobicContact CE2-CB 4.46Å; Y459-R527 PolarHBondContact OH-N 3.07Å; Y459-L530 HydrophobicContact CD2-CD1 3.54Å; Y459-L530 HydrophobicContact CE2-CD1 3.82Å; Y459-L530 HydrophobicContact CG-CD1 4.21Å; Y459-L563 PolarHBondContact N-O 2.72Å
460	D	90.9	Very high	92.5	Very high	36 Å²	36	41 Å²	41	19%	0.193	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	108.4	171.2	174.3	2.4	0	0	0	108	H462 T463 Q464 S465 H467	D460-H462 IonicContact OD1-CD2 3.71Å; D460-H462 PolarHBondContact OD1-N 2.96Å; D460-H462 VanDerWaalsContact OD1-N 3.1Å; D460-T463 PolarHBondContact OD1-N 3.28Å; D460-T463 WeakPolarHBondContact OD2-CB 3.11Å; D460-T463 VanDerWaalsContact OD2-CG2 3.24Å; D460-T463 WeakPolarHBondContact OD2-CG2 3.46Å; D460-T463 PolarHBondContact OD2-OG1 3.44Å; D460-Q464 WeakPolarHBondContact O-CA 3.25Å; D460-Q464 PolarHBondContact O-N 3.02Å; D460-S465 PolarHBondContact N-O 2.8Å; D460-S465 PolarHBondContact O-N 3.42Å; D460-H467 IonicContact OD2-CE1 2.78Å
461	E	87.1	Confident	92.9	Very high	114 Å²	114	41.1 Å²	41.1	53%	0.533	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-26.9	-174.3	-162.1	142	167.6	0	0	112.4	Y459 R527	Y459-E461 HydrophobicContact CD1-CB 4.19Å; Y459-E461 HydrophobicContact CE1-CB 3.86Å; Y459-E461 HydrophobicContact CE1-CG 4.01Å; E461-R527 WeakPolarHBondContact OE2-CD 3.45Å; E461-R527 IonicContact OE2-NH1 3.1Å; E461-R527 PolarHBondContact OE2-NH1 3.45Å; E461-R527 VanDerWaalsContact OE2-NH1 3.12Å
462	H	87.6	Confident	93.1	Very high	188 Å²	188	42.3 Å²	42.3	87%	0.87	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-34.3	176.7	-56.6	-65.2	0	0	0	112.1	D460	D460-H462 IonicContact OD1-CD2 3.71Å; D460-H462 PolarHBondContact OD1-N 2.96Å; D460-H462 VanDerWaalsContact OD1-N 3.1Å
463	T	87.4	Confident	93.2	Very high	76 Å²	76	41.1 Å²	41.1	47%	0.466	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	2.2	176.2	66.5	0	0	0	0	114.1	D460 S465	D460-T463 PolarHBondContact OD1-N 3.28Å; D460-T463 WeakPolarHBondContact OD2-CB 3.11Å; D460-T463 VanDerWaalsContact OD2-CG2 3.24Å; D460-T463 WeakPolarHBondContact OD2-CG2 3.46Å; D460-T463 PolarHBondContact OD2-OG1 3.44Å; T463-S465 VanDerWaalsContact C-N 3.29Å; T463-S465 PolarHBondContact O-N 2.93Å; T463-S465 PolarHBondContact OG1-OG 3.15Å
464	Q	87.6	Confident	93.1	Very high	99 Å²	99	43.1 Å²	43.1	46%	0.463	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	53.3	-172.8	-59.3	-173.5	9	0	0	112.2	Y459 D460 I525	Y459-Q464 WeakPolarHBondContact OH-CA 3.4Å; D460-Q464 WeakPolarHBondContact O-CA 3.25Å; D460-Q464 PolarHBondContact O-N 3.02Å; Q464-I525 CarbonylContact C-O 3.49Å; Q464-I525 PolarHBondContact O-N 3.02Å; Q464-I525 VanDerWaalsContact O-O 3.11Å
465	S	90.5	Very high	92.9	Very high	10 Å²	10	44.3 Å²	44.3	7%	0.07	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.9	-174.5	77.9	0	0	0	0	114.5	Y459 D460 T463 H467 Y523	Y459-S465 WeakPolarHBondContact CD2-O 3.17Å; D460-S465 PolarHBondContact N-O 2.8Å; D460-S465 PolarHBondContact O-N 3.42Å; T463-S465 VanDerWaalsContact C-N 3.29Å; T463-S465 PolarHBondContact O-N 2.93Å; T463-S465 PolarHBondContact OG1-OG 3.15Å; S465-H467 PolarHBondContact OG-NE2 3.12Å; S465-Y523 CarbonylContact C-O 3.39Å; S465-Y523 WeakPolarHBondContact CA-O 3.4Å; S465-Y523 VanDerWaalsContact CB-O 3.3Å; S465-Y523 WeakPolarHBondContact CB-O 3.3Å
466	L	91.8	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118	170.1	177.6	71	0	0	0	109	V468 L494 Y523 I525 L530 L558 L563	L466-V468 HydrophobicContact CD2-CG2 4.19Å; L466-V468 HydrophobicContact CG-CG2 4.16Å; L466-L494 HydrophobicContact CD2-CD1 4.29Å; L466-Y523 PolarHBondContact N-O 2.87Å; L466-Y523 PolarHBondContact O-N 3.41Å; L466-I525 HydrophobicContact CB-CG2 4.17Å; L466-L530 HydrophobicContact CB-CD2 4.4Å; L466-L530 HydrophobicContact CD2-CD2 4.08Å; L466-L558 HydrophobicContact CD2-CD1 3.75Å; L466-L563 HydrophobicContact CD1-CD1 4.43Å; L466-L563 HydrophobicContact CD1-CD2 4.22Å
467	H	94.1	Very high	92.5	Very high	32 Å²	32	44 Å²	44	15%	0.148	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	122.3	169.1	-61.9	145.2	0	0	0	109.9	K458 D460 S465 T520 K522	K458-H467 HydrophobicContact CB-CB 4.5Å; K458-H467 PolarHBondContact N-O 2.91Å; K458-H467 WeakPolarHBondContact O-CA 3.42Å; K458-H467 WeakPolarHBondContact O-CB 3.33Å; K458-H467 PolarHBondContact O-N 2.85Å; D460-H467 IonicContact OD2-CE1 2.78Å; S465-H467 PolarHBondContact OG-NE2 3.12Å; H467-T520 HydrophobicContact CB-CG2 3.87Å; H467-K522 WeakPolarHBondContact NE2-CD 3.37Å; H467-K522 WeakPolarHBondContact NE2-CE 2.98Å; H467-K522 PolarHBondContact NE2-NZ 3.21Å
468	V	95.3	Very high	92.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	101.3	174.6	178.9	0	0	0	0	107.3	L457 L466 I470 I521 Y523 L535	L457-V468 HydrophobicContact CD2-CB 4.36Å; L457-V468 HydrophobicContact CD2-CG1 4.14Å; L457-V468 HydrophobicContact CD2-CG2 3.95Å; L466-V468 HydrophobicContact CD2-CG2 4.19Å; L466-V468 HydrophobicContact CG-CG2 4.16Å; V468-I470 HydrophobicContact CG1-CD1 3.83Å; V468-I470 HydrophobicContact CG1-CG1 4.49Å; V468-I521 HydrophobicContact CB-CB 4.21Å; V468-I521 HydrophobicContact CB-CG2 4.41Å; V468-I521 PolarHBondContact N-O 2.88Å; V468-I521 PolarHBondContact O-N 2.83Å; V468-Y523 HydrophobicContact CG2-CD2 4.14Å; V468-Y523 HydrophobicContact CG2-CE2 4.2Å; V468-L535 HydrophobicContact CB-CD2 4.36Å; V468-L535 HydrophobicContact CG1-CD2 3.61Å; V468-L535 HydrophobicContact CG2-CD1 4.03Å; V468-L535 HydrophobicContact CG2-CD2 3.77Å
469	F	96.1	Very high	91.6	Very high	53 Å²	53	44.3 Å²	44.3	23%	0.232	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.2	178.5	177.3	-112.4	0	0	0	109.9	F455 S456 K471 N518	F455-F469 CarbonylContact C-O 3.57Å; F455-F469 WeakPolarHBondContact CA-O 3.29Å; F455-F469 VanDerWaalsContact CB-O 3.29Å; F455-F469 WeakPolarHBondContact CB-O 3.12Å; S456-F469 PolarHBondContact N-O 3.37Å; S456-F469 PolarHBondContact O-N 2.78Å; F469-K471 HydrophobicContact CD1-CB 4.26Å; F469-K471 HydrophobicContact CE1-CB 3.76Å; F469-K471 HydrophobicContact CE1-CD 4.48Å; F469-K471 HydrophobicContact CE1-CG 4.16Å; F469-K471 HydrophobicContact CZ-CB 4.45Å; F469-N518 HydrophobicContact CE2-CB 4.19Å; F469-N518 HydrophobicContact CZ-CB 4.08Å
470	I	97.1	Very high	90.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	108.5	173.8	-54.8	-58	0	0	0	107.9	F455 V468 V490 T506 Y517 N518 E519 I521 I537	F455-I470 HydrophobicContact CB-CD1 3.98Å; V468-I470 HydrophobicContact CG1-CD1 3.83Å; V468-I470 HydrophobicContact CG1-CG1 4.49Å; I470-V490 HydrophobicContact CD1-CG1 4.42Å; I470-V490 HydrophobicContact CG2-CB 4.47Å; I470-V490 HydrophobicContact CG2-CG2 4.02Å; I470-T506 HydrophobicContact CB-CG2 4.02Å; I470-T506 HydrophobicContact CG1-CG2 4.04Å; I470-T506 HydrophobicContact CG2-CG2 4.16Å; I470-Y517 HydrophobicContact CG2-CD2 3.67Å; I470-Y517 HydrophobicContact CG2-CE2 4.38Å; I470-Y517 HydrophobicContact CG2-CG 4.03Å; I470-Y517 WeakPolarHBondContact O-CB 3.44Å; I470-N518 WeakPolarHBondContact O-CA 3.25Å; I470-N518 PolarHBondContact O-N 3.41Å; I470-E519 PolarHBondContact N-O 3.1Å; I470-E519 PolarHBondContact O-N 3.35Å; I470-I521 HydrophobicContact CG1-CD1 4.21Å; I470-I537 HydrophobicContact CD1-CD1 4.28Å; I470-I537 HydrophobicContact CD1-CG2 4.39Å
471	K	95.9	Very high	89.9	Confident	55 Å²	55	47.7 Å²	47.7	24%	0.239	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-69.7	-179.4	-176.1	172.3	177.8	173	0	110.4	V454 F469 Y517 N518 E568	V454-K471 HydrophobicContact CB-CB 4.43Å; V454-K471 HydrophobicContact CG1-CB 4.27Å; V454-K471 HydrophobicContact CG1-CD 4.04Å; V454-K471 WeakPolarHBondContact O-CB 3.29Å; V454-K471 PolarHBondContact O-N 3.25Å; F469-K471 HydrophobicContact CD1-CB 4.26Å; F469-K471 HydrophobicContact CE1-CB 3.76Å; F469-K471 HydrophobicContact CE1-CD 4.48Å; F469-K471 HydrophobicContact CE1-CG 4.16Å; F469-K471 HydrophobicContact CZ-CB 4.45Å; K471-Y517 PolarHBondContact O-N 3.49Å; K471-N518 PolarHBondContact O-N 3.01Å; K471-N518 PolarHBondContact O-OD1 3.43Å; K471-E568 WeakPolarHBondContact CD-OE1 3.47Å; K471-E568 WeakPolarHBondContact CD-OE2 3.47Å; K471-E568 IonicContact NZ-OE1 3.49Å; K471-E568 PolarHBondContact NZ-OE1 3.2Å; K471-E568 IonicContact NZ-OE2 2.79Å; K471-E568 PolarHBondContact NZ-OE2 2.89Å
472	Q	96.1	Very high	89.1	Confident	51 Å²	51	47.3 Å²	47.3	24%	0.238	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	169.5	-177.9	67	-164.9	66	0	0	112.4	V454 N474 P515 V516	V454-Q472 HydrophobicContact CB-CG 4.13Å; V454-Q472 HydrophobicContact CG2-CG 4.14Å; V454-Q472 PolarHBondContact N-O 3.03Å; V454-Q472 PolarHBondContact O-N 2.9Å; Q472-N474 PolarHBondContact NE2-OD1 2.72Å; Q472-P515 CarbonylContact C-O 3.52Å; Q472-P515 WeakPolarHBondContact CA-O 3.09Å; Q472-P515 WeakPolarHBondContact CB-O 3.38Å; Q472-V516 HydrophobicContact CB-CB 4.47Å; Q472-V516 HydrophobicContact CB-CG2 4.14Å
473	C	96.6	Very high	88.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.8	159.6	-57.8	0	0	0	0	108.6	D452 L476 N514 P515	D452-C473 WeakPolarHBondContact O-CA 3.32Å; D452-C473 WeakPolarHBondContact O-CB 3.22Å; C473-L476 HydrophobicContact CB-CD1 3.86Å; C473-L476 HydrophobicContact CB-CD2 3.73Å; C473-L476 HydrophobicContact CB-CG 3.78Å; C473-N514 CarbonylContact O-C 3.59Å; C473-N514 WeakPolarHBondContact O-CA 3.22Å; C473-P515 HydrophobicContact CB-CG 3.8Å; C473-P515 PolarHBondContact N-O 3Å; C473-P515 WeakPolarHBondContact O-CD 3.3Å
474	N	94.5	Very high	88	Confident	43 Å²	43	47.7 Å²	47.7	23%	0.23	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146	174	-47.7	-70	0	0	0	110.2	G451 D452 Q472 L476 N514	G451-N474 CarbonylContact C-O 3.57Å; G451-N474 WeakPolarHBondContact CA-O 3.45Å; D452-N474 PolarHBondContact N-O 2.81Å; D452-N474 PolarHBondContact O-N 2.93Å; D452-N474 WeakPolarHBondContact OD1-CB 3.41Å; D452-N474 PolarHBondContact OD1-N 3.26Å; D452-N474 VanDerWaalsContact OD1-N 3.16Å; D452-N474 PolarHBondContact OD1-ND2 2.91Å; Q472-N474 PolarHBondContact NE2-OD1 2.72Å; N474-L476 VanDerWaalsContact C-N 3.33Å; N474-L476 PolarHBondContact O-N 2.94Å; N474-N514 WeakPolarHBondContact CA-OD1 3.39Å
475	G	92.1	Very high	87.6	Confident	37 Å²	37	44 Å²	44	38%	0.381	24%	0.24	S	C	.	.	S	Bend	trans	64.6	27.2	168.6	0	0	0	0	0	116	S450 G451 N514	S450-G475 CarbonylContact C-O 3.54Å; G451-G475 VanDerWaalsContact CA-O 3.29Å; G451-G475 WeakPolarHBondContact CA-O 3.4Å; G451-G475 PolarHBondContact N-O 2.99Å; G475-N514 PolarHBondContact N-OD1 3.21Å
476	L	92.9	Very high	87.5	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.016	24%	0.237	C	C	.	.			trans	-60.3	146	-177.5	-65.3	-178	0	0	0	113	S450 C473 N474 P488 I513 P515 V539 L573	S450-L476 WeakPolarHBondContact O-CA 3.42Å; C473-L476 HydrophobicContact CB-CD1 3.86Å; C473-L476 HydrophobicContact CB-CD2 3.73Å; C473-L476 HydrophobicContact CB-CG 3.78Å; N474-L476 VanDerWaalsContact C-N 3.33Å; N474-L476 PolarHBondContact O-N 2.94Å; L476-P488 HydrophobicContact CD1-CB 3.56Å; L476-P488 HydrophobicContact CD1-CG 3.99Å; L476-I513 HydrophobicContact CB-CB 4.26Å; L476-I513 VanDerWaalsContact CB-O 3.29Å; L476-I513 WeakPolarHBondContact CB-O 3.35Å; L476-I513 WeakPolarHBondContact CG-O 3.35Å; L476-I513 PolarHBondContact N-O 2.77Å; L476-I513 VanDerWaalsContact O-CB 3.26Å; L476-I513 WeakPolarHBondContact O-CB 3.47Å; L476-I513 WeakPolarHBondContact O-CG2 3.48Å; L476-P515 HydrophobicContact CD1-CG 3.61Å; L476-V539 HydrophobicContact CD1-CG1 3.84Å; L476-V539 HydrophobicContact CD2-CG1 4.09Å; L476-L573 HydrophobicContact CD2-CD1 3.23Å
477	A	89.6	Confident	87.5	Confident	5 Å²	5	44.6 Å²	44.6	4%	0.041	24%	0.243	C	C	.	.			trans	-56.2	148.3	172.6	0	0	0	0	0	113.8	V447 E448 S450 A479 S486 L551	V447-A477 HydrophobicContact CG1-CB 3.4Å; E448-A477 VanDerWaalsContact O-CB 3.25Å; E448-A477 WeakPolarHBondContact O-CB 3.4Å; S450-A477 WeakPolarHBondContact OG-CA 3.31Å; S450-A477 WeakPolarHBondContact OG-CB 3.38Å; S450-A477 PolarHBondContact OG-N 3.09Å; A477-A479 PolarHBondContact O-N 3.39Å; A477-S486 PolarHBondContact O-OG 3.4Å; A477-L551 HydrophobicContact CB-CD2 4.16Å
478	Y	86.9	Confident	87.5	Confident	97 Å²	97	43 Å²	43	38%	0.38	24%	0.236	S	C	.	.			trans	-79.3	109.7	168.2	-71.2	-72	0	0	0	110.4	D480 L484 I513	Y478-D480 PolarHBondContact O-N 2.88Å; Y478-L484 HydrophobicContact CD1-CB 3.98Å; Y478-L484 HydrophobicContact CD1-CD2 4.28Å; Y478-L484 WeakPolarHBondContact CD1-O 3.22Å; Y478-L484 HydrophobicContact CD2-CD2 3.91Å; Y478-L484 HydrophobicContact CE1-CB 3.81Å; Y478-L484 HydrophobicContact CE1-CD2 4.4Å; Y478-L484 WeakPolarHBondContact CE1-O 3.27Å; Y478-L484 HydrophobicContact CE2-CD2 4.05Å; Y478-L484 HydrophobicContact CG-CD2 4.02Å; Y478-I513 HydrophobicContact CD1-CG2 3.72Å; Y478-I513 HydrophobicContact CE1-CG2 3.46Å; Y478-I513 VanDerWaalsContact CE1-CG2 3.46Å; Y478-I513 HydrophobicContact CE2-CD1 4.35Å; Y478-I513 HydrophobicContact CE2-CG2 4.33Å; Y478-I513 HydrophobicContact CG-CG2 4.28Å
479	A	80.6	Confident	87.5	Confident	19 Å²	19	44.1 Å²	44.1	16%	0.157	24%	0.24	C	C	.	.	S	Bend	trans	-65	-24.2	178.3	0	0	0	0	0	114.2	A477 S486 H541 A549 L551	A477-A479 PolarHBondContact O-N 3.39Å; A479-S486 PolarHBondContact N-OG 2.97Å; A479-S486 VanDerWaalsContact N-OG 3.09Å; A479-H541 HydrophobicContact CB-CB 3.48Å; A479-H541 VanDerWaalsContact CB-CB 3.48Å; A479-H541 WeakPolarHBondContact CB-ND1 3.28Å; A479-A549 HydrophobicContact CB-CB 4.05Å; A479-L551 HydrophobicContact CB-CD2 4.11Å
480	D	75.4	Confident	87.5	Confident	42 Å²	42	41.6 Å²	41.6	23%	0.225	23%	0.229	C	C	.	.	S	Bend	trans	-129	85.8	173.6	178.3	-9.6	0	0	0	106.2	Y478 S482 R483 L484 V485	Y478-D480 PolarHBondContact O-N 2.88Å; D480-S482 PolarHBondContact O-N 2.88Å; D480-S482 PolarHBondContact OD1-N 2.76Å; D480-S482 PolarHBondContact OD1-OG 3.16Å; D480-R483 PolarHBondContact O-N 2.99Å; D480-R483 PolarHBondContact OD1-N 3.5Å; D480-R483 VanDerWaalsContact OD1-N 3.16Å; D480-R483 WeakPolarHBondContact OD2-CD 3.24Å; D480-R483 IonicContact OD2-CZ 3.55Å; D480-R483 IonicContact OD2-NE 3.05Å; D480-R483 IonicContact OD2-NH1 3.12Å; D480-R483 PolarHBondContact OD2-NH1 3.48Å; D480-L484 WeakPolarHBondContact O-CA 3.47Å; D480-L484 PolarHBondContact O-N 3.12Å; D480-V485 PolarHBondContact O-N 2.78Å
481	A	72.6	Confident	87.4	Confident	77 Å²	77	42.1 Å²	42.1	64%	0.636	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.3	-179.4	0	0	0	0	0	112.4	R483	A481-R483 VanDerWaalsContact C-N 3.28Å; A481-R483 PolarHBondContact O-N 3.28Å
482	S	70.1	Confident	87.2	Confident	107 Å²	107	39.5 Å²	39.5	75%	0.748	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-22.6	178.3	77.9	0	0	0	0	113.5	D480	D480-S482 PolarHBondContact O-N 2.88Å; D480-S482 PolarHBondContact OD1-N 2.76Å; D480-S482 PolarHBondContact OD1-OG 3.16Å
483	R	72.1	Confident	86.8	Confident	171 Å²	171	38 Å²	38	65%	0.645	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-2.3	-177.4	-64.9	172.4	55.7	-116.9	0.9	113.8	D480 A481 V485	D480-R483 PolarHBondContact O-N 2.99Å; D480-R483 PolarHBondContact OD1-N 3.5Å; D480-R483 VanDerWaalsContact OD1-N 3.16Å; D480-R483 WeakPolarHBondContact OD2-CD 3.24Å; D480-R483 IonicContact OD2-CZ 3.55Å; D480-R483 IonicContact OD2-NE 3.05Å; D480-R483 IonicContact OD2-NH1 3.12Å; D480-R483 PolarHBondContact OD2-NH1 3.48Å; A481-R483 VanDerWaalsContact C-N 3.28Å; A481-R483 PolarHBondContact O-N 3.28Å; R483-V485 VanDerWaalsContact C-N 3.26Å; R483-V485 HydrophobicContact CB-CG2 4.02Å; R483-V485 WeakPolarHBondContact O-CG2 3.18Å; R483-V485 PolarHBondContact O-N 3.24Å
484	L	79.8	Confident	86.3	Confident	100 Å²	100	38.6 Å²	38.6	52%	0.524	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	38.4	-176.7	-55.8	177.5	0	0	0	113.2	Y478 D480	Y478-L484 HydrophobicContact CD1-CB 3.98Å; Y478-L484 HydrophobicContact CD1-CD2 4.28Å; Y478-L484 WeakPolarHBondContact CD1-O 3.22Å; Y478-L484 HydrophobicContact CD2-CD2 3.91Å; Y478-L484 HydrophobicContact CE1-CB 3.81Å; Y478-L484 HydrophobicContact CE1-CD2 4.4Å; Y478-L484 WeakPolarHBondContact CE1-O 3.27Å; Y478-L484 HydrophobicContact CE2-CD2 4.05Å; Y478-L484 HydrophobicContact CG-CD2 4.02Å; D480-L484 WeakPolarHBondContact O-CA 3.47Å; D480-L484 PolarHBondContact O-N 3.12Å
485	V	80.1	Confident	85.6	Confident	21 Å²	21	37.5 Å²	37.5	13%	0.127	21%	0.209	C	C	.	.			trans	-109.2	114.9	-178.1	-176.7	0	0	0	0	111.8	D480 R483 H541	D480-V485 PolarHBondContact O-N 2.78Å; R483-V485 VanDerWaalsContact C-N 3.26Å; R483-V485 HydrophobicContact CB-CG2 4.02Å; R483-V485 WeakPolarHBondContact O-CG2 3.18Å; R483-V485 PolarHBondContact O-N 3.24Å; V485-H541 PolarHBondContact O-CE1 2.81Å; V485-H541 VanDerWaalsContact O-CE1 3.3Å
486	S	88.1	Confident	84	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.007	20%	0.201	C	C	.	.			trans	-113.3	133.1	162.2	-89.3	0	0	0	0	111.7	A477 A479 P488 N511 T512	A477-S486 PolarHBondContact O-OG 3.4Å; A479-S486 PolarHBondContact N-OG 2.97Å; A479-S486 VanDerWaalsContact N-OG 3.09Å; S486-P488 WeakPolarHBondContact O-CD 3.43Å; S486-N511 CarbonylContact O-C 3.59Å; S486-N511 WeakPolarHBondContact O-CA 3.28Å; S486-N511 PolarHBondContact O-N 2.91Å; S486-T512 WeakPolarHBondContact CB-O 3.17Å; S486-T512 PolarHBondContact O-N 2.98Å
487	N	91.2	Very high	82.5	Confident	22 Å²	22	39.6 Å²	39.6	12%	0.118	21%	0.213	C	C	.	.			trans	-117.2	68.1	174.4	-61.5	-59.3	0	0	0	109.2	I508 K509 K510 N511 H541 H542	N487-I508 HydrophobicContact CB-CG2 4.39Å; N487-K509 CarbonylContact C-O 3.45Å; N487-K509 WeakPolarHBondContact CA-O 3.37Å; N487-K510 WeakPolarHBondContact OD1-CA 3.39Å; N487-N511 PolarHBondContact OD1-N 3.07Å; N487-N511 VanDerWaalsContact OD1-N 3.13Å; N487-H541 PolarHBondContact N-ND1 3.44Å; N487-H541 VanDerWaalsContact N-ND1 3.15Å; N487-H541 PolarHBondContact ND2-CE1 2.92Å; N487-H542 HydrophobicContact CB-CB 4.46Å; N487-H542 PolarHBondContact ND2-O 3.05Å; N487-H542 PolarHBondContact O-N 3.29Å
488	P	94.2	Very high	81.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	147.2	-165.8	32.7	-39.1	0	0	0	112.8	L476 S486 K509 T512 P515 Y517 V539 W540 L551	L476-P488 HydrophobicContact CD1-CB 3.56Å; L476-P488 HydrophobicContact CD1-CG 3.99Å; S486-P488 WeakPolarHBondContact O-CD 3.43Å; P488-K509 WeakPolarHBondContact CD-O 3.37Å; P488-K509 HydrophobicContact CG-CB 4.41Å; P488-K509 PolarHBondContact O-N 3.45Å; P488-T512 VanDerWaalsContact CD-O 3.26Å; P488-T512 WeakPolarHBondContact CD-O 3.35Å; P488-T512 HydrophobicContact CG-CG2 4.09Å; P488-T512 WeakPolarHBondContact CG-O 3.47Å; P488-P515 HydrophobicContact CB-CB 4.48Å; P488-P515 HydrophobicContact CB-CG 4.05Å; P488-P515 HydrophobicContact CG-CB 3.61Å; P488-P515 HydrophobicContact CG-CG 3.53Å; P488-Y517 PolarHBondContact O-OH 2.74Å; P488-V539 HydrophobicContact CB-CG1 4.31Å; P488-W540 CarbonylContact C-O 3.58Å; P488-W540 VanDerWaalsContact CA-O 3.31Å; P488-W540 WeakPolarHBondContact CA-O 3.3Å; P488-L551 HydrophobicContact CB-CD1 4.2Å
489	Y	95.5	Very high	79.9	Confident	22 Å²	22	41.3 Å²	41.3	9%	0.086	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	151.4	165.8	71.7	-75.7	0	0	0	110.1	K491 I508 Y517 W540 H542 N548	Y489-K491 HydrophobicContact CD2-CG 4.31Å; Y489-K491 HydrophobicContact CE2-CD 4.27Å; Y489-K491 HydrophobicContact CE2-CG 3.87Å; Y489-K491 VanDerWaalsContact CZ-CE 3.47Å; Y489-K491 WeakPolarHBondContact OH-CE 3.39Å; Y489-K491 PolarHBondContact OH-NZ 3.43Å; Y489-I508 HydrophobicContact CD1-CG1 4.17Å; Y489-I508 HydrophobicContact CG-CG1 3.97Å; Y489-Y517 WeakPolarHBondContact CA-OH 3.47Å; Y489-Y517 PolarHBondContact N-OH 3.25Å; Y489-W540 HydrophobicContact CD1-CB 4.13Å; Y489-W540 WeakPolarHBondContact CD1-O 3.2Å; Y489-W540 HydrophobicContact CE1-CB 3.58Å; Y489-W540 PolarHBondContact N-O 3.14Å; Y489-W540 PolarHBondContact O-N 3.25Å; Y489-H542 HydrophobicContact CD1-CB 4Å; Y489-H542 HydrophobicContact CE1-CB 3.97Å; Y489-N548 PolarHBondContact OH-ND2 3.48Å
490	V	96.1	Very high	78.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	145.1	-179	-176.5	0	0	0	0	109.8	I470 K505 T506 Y517 I537 S538 V539	I470-V490 HydrophobicContact CD1-CG1 4.42Å; I470-V490 HydrophobicContact CG2-CB 4.47Å; I470-V490 HydrophobicContact CG2-CG2 4.02Å; V490-K505 CarbonylContact O-C 3.45Å; V490-K505 WeakPolarHBondContact O-CA 2.93Å; V490-T506 HydrophobicContact CB-CG2 4.07Å; V490-T506 PolarHBondContact N-OG1 3.24Å; V490-T506 PolarHBondContact O-N 3.11Å; V490-Y517 HydrophobicContact CG2-CD2 4.27Å; V490-Y517 HydrophobicContact CG2-CE1 4.34Å; V490-Y517 HydrophobicContact CG2-CE2 3.63Å; V490-I537 HydrophobicContact CG1-CG2 3.38Å; V490-S538 CarbonylContact C-O 3.56Å; V490-S538 WeakPolarHBondContact CA-O 3.17Å; V490-V539 HydrophobicContact CG2-CG2 4.35Å
491	K	94.4	Very high	77.6	Confident	12 Å²	12	49.3 Å²	49.3	5%	0.052	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.8	167.2	-56.6	169	-166.3	156.5	0	108.9	Y489 Y493 R504 S538 W540	Y489-K491 HydrophobicContact CD2-CG 4.31Å; Y489-K491 HydrophobicContact CE2-CD 4.27Å; Y489-K491 HydrophobicContact CE2-CG 3.87Å; Y489-K491 VanDerWaalsContact CZ-CE 3.47Å; Y489-K491 WeakPolarHBondContact OH-CE 3.39Å; Y489-K491 PolarHBondContact OH-NZ 3.43Å; K491-Y493 HydrophobicContact CB-CE2 4.04Å; K491-R504 CarbonylContact C-O 3.53Å; K491-R504 VanDerWaalsContact CA-O 3.28Å; K491-R504 WeakPolarHBondContact CA-O 3.24Å; K491-S538 PolarHBondContact N-O 3.2Å; K491-S538 PolarHBondContact O-N 3.37Å; K491-S538 PolarHBondContact O-OG 3.34Å; K491-W540 HydrophobicContact CD-CG 4.2Å; K491-W540 VanDerWaalsContact CE-CD1 3.42Å; K491-W540 VanDerWaalsContact NZ-CD1 3.3Å
492	C	92.9	Very high	77.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.3	171.8	-64.8	0	0	0	0	110.5	R504 I521 Y523 L535 M536	C492-R504 HydrophobicContact CB-CB 4.36Å; C492-R504 PolarHBondContact N-O 3.44Å; C492-R504 PolarHBondContact O-N 2.99Å; C492-I521 HydrophobicContact CB-CD1 4.09Å; C492-I521 HydrophobicContact CB-CG2 4.48Å; C492-Y523 HydrophobicContact CB-CE2 4.38Å; C492-Y523 WeakPolarHBondContact CB-OH 3.42Å; C492-Y523 PolarHBondContact O-OH 3.3Å; C492-Y523 VanDerWaalsContact O-OH 3.07Å; C492-L535 HydrophobicContact CB-CD1 4.14Å; C492-M536 CarbonylContact C-O 3.48Å; C492-M536 WeakPolarHBondContact CA-O 3.19Å
493	Y	87.4	Confident	78.2	Confident	20 Å²	20	43.1 Å²	43.1	8%	0.078	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	138.2	173.8	-66.6	-97	0	0	0	109.2	K491 L495 K498 K503 Y523 M536	K491-Y493 HydrophobicContact CB-CE2 4.04Å; Y493-L495 PolarHBondContact O-N 3.33Å; Y493-K498 WeakPolarHBondContact CE1-O 3.14Å; Y493-K503 HydrophobicContact CD1-CB 4.17Å; Y493-K503 HydrophobicContact CE1-CB 3.74Å; Y493-K503 HydrophobicContact CE1-CD 4.08Å; Y493-K503 HydrophobicContact CE1-CG 3.87Å; Y493-K503 HydrophobicContact CE2-CG 4.39Å; Y493-K503 WeakPolarHBondContact OH-CD 3.04Å; Y493-K503 WeakPolarHBondContact OH-CE 3.18Å; Y493-K503 PolarHBondContact OH-NZ 3.42Å; Y493-Y523 PolarHBondContact N-OH 3.43Å; Y493-M536 HydrophobicContact CD2-CE 3.56Å; Y493-M536 HydrophobicContact CE2-CE 4.15Å; Y493-M536 HydrophobicContact CG-CE 3.85Å; Y493-M536 PolarHBondContact N-O 3.27Å; Y493-M536 PolarHBondContact O-N 3.28Å
494	L	85.3	Confident	78.9	Confident	11 Å²	11	39.3 Å²	39.3	6%	0.058	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	85.4	176.2	-171.6	60.2	0	0	0	109.9	L466 D497 S502 Y523 I525 R533 L558	L466-L494 HydrophobicContact CD2-CD1 4.29Å; L494-D497 WeakPolarHBondContact O-CB 3.37Å; L494-D497 PolarHBondContact O-N 3.06Å; L494-S502 PolarHBondContact N-OG 3.36Å; L494-Y523 HydrophobicContact CB-CD1 3.87Å; L494-Y523 HydrophobicContact CB-CE1 3.71Å; L494-Y523 HydrophobicContact CD2-CD1 3.94Å; L494-Y523 HydrophobicContact CD2-CG 4.15Å; L494-I525 HydrophobicContact CD2-CB 4.49Å; L494-I525 HydrophobicContact CD2-CD1 3.76Å; L494-I525 HydrophobicContact CD2-CG2 4.16Å; L494-R533 HydrophobicContact CD1-CB 3.93Å; L494-R533 HydrophobicContact CD1-CG 4.47Å; L494-R533 HydrophobicContact CG-CB 4.42Å; L494-R533 HydrophobicContact CG-CG 4.49Å; L494-L558 HydrophobicContact CD1-CD1 3.59Å
495	L	79.6	Confident	79.5	Confident	21 Å²	21	42 Å²	42	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	145.5	-177.1	-62.3	-174.6	0	0	0	111.5	Y493 K498 R533 C534 M536	Y493-L495 PolarHBondContact O-N 3.33Å; L495-K498 HydrophobicContact CD2-CG 3.66Å; L495-R533 WeakPolarHBondContact O-CA 3.48Å; L495-R533 WeakPolarHBondContact O-CD 3.34Å; L495-C534 WeakPolarHBondContact CA-O 3.5Å; L495-C534 HydrophobicContact CB-CB 4.23Å; L495-C534 VanDerWaalsContact CB-O 3.25Å; L495-C534 WeakPolarHBondContact CB-O 3.44Å; L495-C534 PolarHBondContact N-O 2.63Å; L495-C534 PolarHBondContact O-N 3.18Å; L495-M536 HydrophobicContact CD1-CB 3.75Å; L495-M536 HydrophobicContact CD1-CG 4.41Å; L495-M536 HydrophobicContact CD1-SD 4.1Å; L495-M536 HydrophobicContact CD2-CB 4.37Å; L495-M536 HydrophobicContact CD2-CE 4.1Å; L495-M536 HydrophobicContact CD2-SD 4.38Å; L495-M536 HydrophobicContact CG-CB 3.82Å
496	P	59.1	Low	80.1	Confident	34 Å²	34	41.3 Å²	41.3	22%	0.221	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	cis	-78.3	-0.1	8.4	30.9	-37.1	0	0	0	116.4	K498 M634	P496-K498 PolarHBondContact O-N 3.45Å; P496-M634 HydrophobicContact CB-CE 3.65Å; P496-M634 HydrophobicContact CB-SD 3.82Å; P496-M634 HydrophobicContact CG-CE 3.97Å; P496-M634 HydrophobicContact CG-CG 4.22Å; P496-M634 HydrophobicContact CG-SD 3.8Å
497	D	62.5	Low	80.3	Confident	49 Å²	49	43.8 Å²	43.8	26%	0.262	21%	0.21	S	C	.	.			trans	-73.7	99.1	178.5	-174.9	4.8	0	0	0	112	L494 S499 S502	L494-D497 WeakPolarHBondContact O-CB 3.37Å; L494-D497 PolarHBondContact O-N 3.06Å; D497-S499 WeakPolarHBondContact OD1-CA 3.32Å; D497-S499 WeakPolarHBondContact OD1-CB 3.13Å; D497-S499 PolarHBondContact OD1-N 3.49Å; D497-S499 PolarHBondContact OD1-OG 3.32Å; D497-S499 PolarHBondContact OD2-OG 2.95Å; D497-S502 VanDerWaalsContact O-CB 3.24Å; D497-S502 WeakPolarHBondContact O-CB 3.17Å; D497-S502 PolarHBondContact O-OG 3.06Å; D497-S502 WeakPolarHBondContact OD2-CB 3.39Å
498	K	63.7	Low	80.4	Confident	114 Å²	114	46.3 Å²	46.3	50%	0.496	22%	0.222	S	C	.	.			trans	-86.4	3.9	171.4	-71.4	-177.7	174.9	176.4	0	113.6	E440 Y493 L495 P496	E440-K498 IonicContact OE1-NZ 2.63Å; E440-K498 PolarHBondContact OE1-NZ 3.45Å; Y493-K498 WeakPolarHBondContact CE1-O 3.14Å; L495-K498 HydrophobicContact CD2-CG 3.66Å; P496-K498 PolarHBondContact O-N 3.45Å
499	S	57.9	Low	80.3	Confident	25 Å²	25	48.8 Å²	48.8	18%	0.175	23%	0.233	C	C	.	.	S	Bend	trans	-65.2	167.7	-171.6	76.6	0	0	0	0	114	D497 Q501 S502 K503	D497-S499 WeakPolarHBondContact OD1-CA 3.32Å; D497-S499 WeakPolarHBondContact OD1-CB 3.13Å; D497-S499 PolarHBondContact OD1-N 3.49Å; D497-S499 PolarHBondContact OD1-OG 3.32Å; D497-S499 PolarHBondContact OD2-OG 2.95Å; S499-Q501 PolarHBondContact O-N 3.38Å; S499-Q501 PolarHBondContact OG-N 2.9Å; S499-Q501 VanDerWaalsContact OG-N 3.1Å; S499-S502 PolarHBondContact OG-N 3.26Å; S499-K503 WeakPolarHBondContact O-CB 3.39Å; S499-K503 PolarHBondContact O-N 3.44Å; S499-K503 VanDerWaalsContact O-N 3.12Å
500	H	54.8	Low	80.1	Confident	114 Å²	114	54.9 Å²	54.9	53%	0.528	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.6	168.7	-82.6	-83.3	0	0	0	113.7	S436	S436-H500 WeakPolarHBondContact CB-NE2 3.18Å; S436-H500 PolarHBondContact OG-NE2 3.5Å
501	Q	52.6	Low	79.7	Confident	114 Å²	114	60 Å²	60	53%	0.533	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-28.2	-177.2	-64.7	-159.2	45.8	0	0	113.4	S499 R504 A638	S499-Q501 PolarHBondContact O-N 3.38Å; S499-Q501 PolarHBondContact OG-N 2.9Å; S499-Q501 VanDerWaalsContact OG-N 3.1Å; Q501-R504 PolarHBondContact O-NH1 2.85Å; Q501-R504 PolarHBondContact O-NH2 3.38Å; Q501-A638 HydrophobicContact CB-CB 4.5Å; Q501-A638 VanDerWaalsContact CD-O 3.22Å; Q501-A638 HydrophobicContact CG-CB 4.05Å; Q501-A638 PolarHBondContact NE2-O 3.36Å; Q501-A638 PolarHBondContact OE1-O 3.48Å
502	S	70.1	Confident	79.5	Confident	6 Å²	6	61.4 Å²	61.4	4%	0.042	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-28.6	164.8	149.8	0	0	0	0	112.5	L494 D497 S499 R504 Y523	L494-S502 PolarHBondContact N-OG 3.36Å; D497-S502 VanDerWaalsContact O-CB 3.24Å; D497-S502 WeakPolarHBondContact O-CB 3.17Å; D497-S502 PolarHBondContact O-OG 3.06Å; D497-S502 WeakPolarHBondContact OD2-CB 3.39Å; S499-S502 PolarHBondContact OG-N 3.26Å; S502-R504 PolarHBondContact O-N 3.07Å; S502-R504 VanDerWaalsContact O-N 3.15Å; S502-Y523 WeakPolarHBondContact O-CE1 3.48Å; S502-Y523 PolarHBondContact O-OH 3.32Å
503	K	84	Confident	79.5	Confident	49 Å²	49	63.2 Å²	63.2	21%	0.213	31%	0.306	C	S	.	.			trans	-57.7	120.5	179.3	-170.2	171.9	-170.6	145.3	0	112.3	Y493 S499	Y493-K503 HydrophobicContact CD1-CB 4.17Å; Y493-K503 HydrophobicContact CE1-CB 3.74Å; Y493-K503 HydrophobicContact CE1-CD 4.08Å; Y493-K503 HydrophobicContact CE1-CG 3.87Å; Y493-K503 HydrophobicContact CE2-CG 4.39Å; Y493-K503 WeakPolarHBondContact OH-CD 3.04Å; Y493-K503 WeakPolarHBondContact OH-CE 3.18Å; Y493-K503 PolarHBondContact OH-NZ 3.42Å; S499-K503 WeakPolarHBondContact O-CB 3.39Å; S499-K503 PolarHBondContact O-N 3.44Å; S499-K503 VanDerWaalsContact O-N 3.12Å
504	R	87.9	Confident	79.8	Confident	91 Å²	91	66.3 Å²	66.3	34%	0.343	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	158	168.7	-61	-76.2	172.8	-80.9	-6.1	108.8	K491 C492 Q501 S502 I521 K522 Y523	K491-R504 CarbonylContact C-O 3.53Å; K491-R504 VanDerWaalsContact CA-O 3.28Å; K491-R504 WeakPolarHBondContact CA-O 3.24Å; C492-R504 HydrophobicContact CB-CB 4.36Å; C492-R504 PolarHBondContact N-O 3.44Å; C492-R504 PolarHBondContact O-N 2.99Å; Q501-R504 PolarHBondContact O-NH1 2.85Å; Q501-R504 PolarHBondContact O-NH2 3.38Å; S502-R504 PolarHBondContact O-N 3.07Å; S502-R504 VanDerWaalsContact O-N 3.15Å; R504-I521 HydrophobicContact CB-CB 4.41Å; R504-I521 HydrophobicContact CB-CD1 4.02Å; R504-I521 HydrophobicContact CB-CG1 4.19Å; R504-I521 HydrophobicContact CB-CG2 3.39Å; R504-I521 HydrophobicContact CG-CG2 3.53Å; R504-K522 PolarHBondContact NE-O 3.29Å; R504-Y523 HydrophobicContact CG-CE1 3.98Å; R504-Y523 HydrophobicContact CG-CE2 4.09Å; R504-Y523 WeakPolarHBondContact CG-OH 3.39Å
505	K	91.8	Very high	80.3	Confident	156 Å²	156	65.9 Å²	65.9	68%	0.678	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.9	148.9	-179.8	63.7	175.9	-177.1	175.8	0	111.1	V490	V490-K505 CarbonylContact O-C 3.45Å; V490-K505 WeakPolarHBondContact O-CA 2.93Å
506	T	94.1	Very high	81.1	Confident	6 Å²	6	68.3 Å²	68.3	4%	0.037	34%	0.338	C	S	.	.			trans	-85.3	173.1	168.2	58.6	0	0	0	0	111.8	I470 V490 Y517 E519 I521	I470-T506 HydrophobicContact CB-CG2 4.02Å; I470-T506 HydrophobicContact CG1-CG2 4.04Å; I470-T506 HydrophobicContact CG2-CG2 4.16Å; V490-T506 HydrophobicContact CB-CG2 4.07Å; V490-T506 PolarHBondContact N-OG1 3.24Å; V490-T506 PolarHBondContact O-N 3.11Å; T506-Y517 HydrophobicContact CG2-CD1 4.11Å; T506-Y517 HydrophobicContact CG2-CG 4.3Å; T506-Y517 VanDerWaalsContact OG1-CD1 3.26Å; T506-Y517 WeakPolarHBondContact OG1-CD1 3.48Å; T506-Y517 WeakPolarHBondContact OG1-CE1 3.46Å; T506-E519 WeakPolarHBondContact CA-OE2 3.33Å; T506-E519 VanDerWaalsContact CB-OE2 3.3Å; T506-E519 WeakPolarHBondContact CB-OE2 3.34Å; T506-E519 HydrophobicContact CG2-CB 4.08Å; T506-I521 HydrophobicContact CG2-CD1 4.13Å
507	S	92.1	Very high	82.8	Confident	54 Å²	54	67.1 Å²	67.1	38%	0.378	33%	0.329	S	S	.	.			trans	-64.6	150.3	168.2	75.5	0	0	0	0	111.6	K509 Y517 E519	S507-K509 PolarHBondContact O-N 2.82Å; S507-K509 VanDerWaalsContact OG-CE 3.23Å; S507-K509 WeakPolarHBondContact OG-CE 3.46Å; S507-K509 PolarHBondContact OG-NZ 3.22Å; S507-Y517 WeakPolarHBondContact O-CE1 3.38Å; S507-E519 WeakPolarHBondContact CB-OE1 2.89Å; S507-E519 PolarHBondContact N-OE1 2.92Å; S507-E519 PolarHBondContact N-OE2 2.97Å; S507-E519 PolarHBondContact OG-OE1 2.93Å
508	I	92.9	Very high	84.4	Confident	74 Å²	74	69.2 Å²	69.2	38%	0.379	34%	0.34	S	S	.	.			trans	-85.1	112.6	-179.4	-62.3	153.7	0	0	0	108.9	N487 Y489 H542	N487-I508 HydrophobicContact CB-CG2 4.39Å; Y489-I508 HydrophobicContact CD1-CG1 4.17Å; Y489-I508 HydrophobicContact CG-CG1 3.97Å; I508-H542 HydrophobicContact CD1-CB 4.11Å; I508-H542 HydrophobicContact CG1-CB 4.28Å; I508-H542 HydrophobicContact CG2-CB 3.83Å
509	K	92.5	Very high	85.9	Confident	52 Å²	52	66.1 Å²	66.1	23%	0.226	33%	0.327	C	S	.	.			trans	-79.4	149.8	169.5	-48.4	-63.8	165.7	156.8	0	108.3	N487 P488 S507 T512 P515 V516 Y517 E519	N487-K509 CarbonylContact C-O 3.45Å; N487-K509 WeakPolarHBondContact CA-O 3.37Å; P488-K509 WeakPolarHBondContact CD-O 3.37Å; P488-K509 HydrophobicContact CG-CB 4.41Å; P488-K509 PolarHBondContact O-N 3.45Å; S507-K509 PolarHBondContact O-N 2.82Å; S507-K509 VanDerWaalsContact OG-CE 3.23Å; S507-K509 WeakPolarHBondContact OG-CE 3.46Å; S507-K509 PolarHBondContact OG-NZ 3.22Å; K509-T512 HydrophobicContact CB-CG2 3.89Å; K509-P515 HydrophobicContact CB-CB 3.93Å; K509-P515 HydrophobicContact CG-CB 3.78Å; K509-V516 WeakPolarHBondContact CD-O 3.41Å; K509-V516 WeakPolarHBondContact CE-O 3.4Å; K509-V516 PolarHBondContact NZ-O 3.31Å; K509-Y517 HydrophobicContact CD-CD1 4.4Å; K509-Y517 VanDerWaalsContact CE-CD1 3.44Å; K509-Y517 HydrophobicContact CG-CD1 3.99Å; K509-Y517 HydrophobicContact CG-CE1 3.72Å; K509-Y517 PolarHBondContact NZ-O 2.56Å; K509-E519 IonicContact NZ-OE1 2.81Å
510	K	90.4	Very high	87.6	Confident	151 Å²	151	68.7 Å²	68.7	66%	0.657	34%	0.342	S	S	*	.			trans	-116.5	139.7	-171.8	-64.2	170.4	-172.6	163.3	0	110.1	N487 T512	N487-K510 WeakPolarHBondContact OD1-CA 3.39Å; K510-T512 PolarHBondContact O-N 3.49Å
511	N	87.3	Confident	89.5	Confident	107 Å²	107	63.9 Å²	63.9	57%	0.572	32%	0.32	S	S	*	.	S	Bend	trans	45.8	53.4	175.1	-156.8	77.6	0	0	0	114.6	S486 N487	S486-N511 CarbonylContact O-C 3.59Å; S486-N511 WeakPolarHBondContact O-CA 3.28Å; S486-N511 PolarHBondContact O-N 2.91Å; N487-N511 PolarHBondContact OD1-N 3.07Å; N487-N511 VanDerWaalsContact OD1-N 3.13Å
512	T	91.7	Very high	91.4	Very high	41 Å²	41	64 Å²	64	25%	0.252	32%	0.319	S	S	.	.			trans	-147.9	145.7	177.7	-178.1	0	0	0	0	111.8	S486 P488 K509 K510 N514 P515	S486-T512 WeakPolarHBondContact CB-O 3.17Å; S486-T512 PolarHBondContact O-N 2.98Å; P488-T512 VanDerWaalsContact CD-O 3.26Å; P488-T512 WeakPolarHBondContact CD-O 3.35Å; P488-T512 HydrophobicContact CG-CG2 4.09Å; P488-T512 WeakPolarHBondContact CG-O 3.47Å; K509-T512 HydrophobicContact CB-CG2 3.89Å; K510-T512 PolarHBondContact O-N 3.49Å; T512-N514 PolarHBondContact OG1-N 3.43Å; T512-N514 PolarHBondContact OG1-O 3.42Å; T512-P515 HydrophobicContact CG2-CB 3.97Å
513	I	92.3	Very high	92.2	Very high	38 Å²	38	64.1 Å²	64.1	20%	0.195	32%	0.318	C	S	.	.	S	Bend	trans	-101.6	-7.9	167.4	57.8	164.5	0	0	0	112.8	L476 Y478 P515	L476-I513 HydrophobicContact CB-CB 4.26Å; L476-I513 VanDerWaalsContact CB-O 3.29Å; L476-I513 WeakPolarHBondContact CB-O 3.35Å; L476-I513 WeakPolarHBondContact CG-O 3.35Å; L476-I513 PolarHBondContact N-O 2.77Å; L476-I513 VanDerWaalsContact O-CB 3.26Å; L476-I513 WeakPolarHBondContact O-CB 3.47Å; L476-I513 WeakPolarHBondContact O-CG2 3.48Å; Y478-I513 HydrophobicContact CD1-CG2 3.72Å; Y478-I513 HydrophobicContact CE1-CG2 3.46Å; Y478-I513 VanDerWaalsContact CE1-CG2 3.46Å; Y478-I513 HydrophobicContact CE2-CD1 4.35Å; Y478-I513 HydrophobicContact CE2-CG2 4.33Å; Y478-I513 HydrophobicContact CG-CG2 4.28Å; I513-P515 WeakPolarHBondContact O-CD 3.18Å
514	N	94.2	Very high	92.3	Very high	86 Å²	86	67.1 Å²	67.1	46%	0.46	35%	0.346	S	S	.	.	S	Bend	trans	-120.5	67.7	176.1	-61.5	-43.6	0	0	0	109.8	C473 N474 G475 T512 V516	C473-N514 CarbonylContact O-C 3.59Å; C473-N514 WeakPolarHBondContact O-CA 3.22Å; N474-N514 WeakPolarHBondContact CA-OD1 3.39Å; G475-N514 PolarHBondContact N-OD1 3.21Å; T512-N514 PolarHBondContact OG1-N 3.43Å; T512-N514 PolarHBondContact OG1-O 3.42Å; N514-V516 PolarHBondContact O-N 3.2Å
515	P	94.7	Very high	92	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.013	33%	0.333	C	S	.	.			trans	-75.7	118.8	-177.7	30.4	-36.9	0	0	0	112.4	Q472 C473 L476 P488 K509 T512 I513 Y517	Q472-P515 CarbonylContact C-O 3.52Å; Q472-P515 WeakPolarHBondContact CA-O 3.09Å; Q472-P515 WeakPolarHBondContact CB-O 3.38Å; C473-P515 HydrophobicContact CB-CG 3.8Å; C473-P515 PolarHBondContact N-O 3Å; C473-P515 WeakPolarHBondContact O-CD 3.3Å; L476-P515 HydrophobicContact CD1-CG 3.61Å; P488-P515 HydrophobicContact CB-CB 4.48Å; P488-P515 HydrophobicContact CB-CG 4.05Å; P488-P515 HydrophobicContact CG-CB 3.61Å; P488-P515 HydrophobicContact CG-CG 3.53Å; K509-P515 HydrophobicContact CB-CB 3.93Å; K509-P515 HydrophobicContact CG-CB 3.78Å; T512-P515 HydrophobicContact CG2-CB 3.97Å; I513-P515 WeakPolarHBondContact O-CD 3.18Å; P515-Y517 HydrophobicContact CB-CD2 4.45Å; P515-Y517 HydrophobicContact CB-CE1 4.36Å; P515-Y517 HydrophobicContact CB-CE2 3.72Å; P515-Y517 HydrophobicContact CG-CE2 3.64Å; P515-Y517 WeakPolarHBondContact CG-OH 3.32Å
516	V	96.4	Very high	91.5	Very high	71 Å²	71	58.7 Å²	58.7	43%	0.43	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	120	164.4	-176.8	0	0	0	0	109.2	Q472 K509 N514	Q472-V516 HydrophobicContact CB-CB 4.47Å; Q472-V516 HydrophobicContact CB-CG2 4.14Å; K509-V516 WeakPolarHBondContact CD-O 3.41Å; K509-V516 WeakPolarHBondContact CE-O 3.4Å; K509-V516 PolarHBondContact NZ-O 3.31Å; N514-V516 PolarHBondContact O-N 3.2Å
517	Y	95.6	Very high	90.9	Very high	10 Å²	10	62.5 Å²	62.5	4%	0.039	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-60.6	177.1	-60.4	-82.4	0	0	0	111	I470 K471 P488 Y489 V490 T506 S507 K509 P515	I470-Y517 HydrophobicContact CG2-CD2 3.67Å; I470-Y517 HydrophobicContact CG2-CE2 4.38Å; I470-Y517 HydrophobicContact CG2-CG 4.03Å; I470-Y517 WeakPolarHBondContact O-CB 3.44Å; K471-Y517 PolarHBondContact O-N 3.49Å; P488-Y517 PolarHBondContact O-OH 2.74Å; Y489-Y517 WeakPolarHBondContact CA-OH 3.47Å; Y489-Y517 PolarHBondContact N-OH 3.25Å; V490-Y517 HydrophobicContact CG2-CD2 4.27Å; V490-Y517 HydrophobicContact CG2-CE1 4.34Å; V490-Y517 HydrophobicContact CG2-CE2 3.63Å; T506-Y517 HydrophobicContact CG2-CD1 4.11Å; T506-Y517 HydrophobicContact CG2-CG 4.3Å; T506-Y517 VanDerWaalsContact OG1-CD1 3.26Å; T506-Y517 WeakPolarHBondContact OG1-CD1 3.48Å; T506-Y517 WeakPolarHBondContact OG1-CE1 3.46Å; S507-Y517 WeakPolarHBondContact O-CE1 3.38Å; K509-Y517 HydrophobicContact CD-CD1 4.4Å; K509-Y517 VanDerWaalsContact CE-CD1 3.44Å; K509-Y517 HydrophobicContact CG-CD1 3.99Å; K509-Y517 HydrophobicContact CG-CE1 3.72Å; K509-Y517 PolarHBondContact NZ-O 2.56Å; P515-Y517 HydrophobicContact CB-CD2 4.45Å; P515-Y517 HydrophobicContact CB-CE1 4.36Å; P515-Y517 HydrophobicContact CB-CE2 3.72Å; P515-Y517 HydrophobicContact CG-CE2 3.64Å; P515-Y517 WeakPolarHBondContact CG-OH 3.32Å
518	N	95.1	Very high	90.1	Very high	93 Å²	93	64.3 Å²	64.3	50%	0.497	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52.6	48.8	-167.9	-62.6	-16.4	0	0	0	112.3	F469 I470 K471	F469-N518 HydrophobicContact CE2-CB 4.19Å; F469-N518 HydrophobicContact CZ-CB 4.08Å; I470-N518 WeakPolarHBondContact O-CA 3.25Å; I470-N518 PolarHBondContact O-N 3.41Å; K471-N518 PolarHBondContact O-N 3.01Å; K471-N518 PolarHBondContact O-OD1 3.43Å
519	E	95.1	Very high	89.2	Confident	48 Å²	48	65.2 Å²	65.2	22%	0.224	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122	-172.9	-72.2	173.6	-125	0	0	111.8	I470 T506 S507 K509	I470-E519 PolarHBondContact N-O 3.1Å; I470-E519 PolarHBondContact O-N 3.35Å; T506-E519 WeakPolarHBondContact CA-OE2 3.33Å; T506-E519 VanDerWaalsContact CB-OE2 3.3Å; T506-E519 WeakPolarHBondContact CB-OE2 3.34Å; T506-E519 HydrophobicContact CG2-CB 4.08Å; S507-E519 WeakPolarHBondContact CB-OE1 2.89Å; S507-E519 PolarHBondContact N-OE1 2.92Å; S507-E519 PolarHBondContact N-OE2 2.97Å; S507-E519 PolarHBondContact OG-OE1 2.93Å; K509-E519 IonicContact NZ-OE1 2.81Å
520	T	94.7	Very high	88.4	Confident	80 Å²	80	63 Å²	63	49%	0.491	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112.1	174.8	-49.4	0	0	0	0	111.3	H467	H467-T520 HydrophobicContact CB-CG2 3.87Å
521	I	94	Very high	87.5	Confident	12 Å²	12	59.4 Å²	59.4	6%	0.062	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	138.2	168	-74.8	171.4	0	0	0	109.1	V468 I470 C492 R504 T506 Y523	V468-I521 HydrophobicContact CB-CB 4.21Å; V468-I521 HydrophobicContact CB-CG2 4.41Å; V468-I521 PolarHBondContact N-O 2.88Å; V468-I521 PolarHBondContact O-N 2.83Å; I470-I521 HydrophobicContact CG1-CD1 4.21Å; C492-I521 HydrophobicContact CB-CD1 4.09Å; C492-I521 HydrophobicContact CB-CG2 4.48Å; R504-I521 HydrophobicContact CB-CB 4.41Å; R504-I521 HydrophobicContact CB-CD1 4.02Å; R504-I521 HydrophobicContact CB-CG1 4.19Å; R504-I521 HydrophobicContact CB-CG2 3.39Å; R504-I521 HydrophobicContact CG-CG2 3.53Å; T506-I521 HydrophobicContact CG2-CD1 4.13Å; I521-Y523 HydrophobicContact CG2-CD2 4.09Å; I521-Y523 HydrophobicContact CG2-CE2 3.53Å
522	K	92.4	Very high	86.5	Confident	116 Å²	116	57.7 Å²	57.7	50%	0.504	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.9	179	-55	-152.8	173.1	-155.6	0	113.1	H467 R504	H467-K522 WeakPolarHBondContact NE2-CD 3.37Å; H467-K522 WeakPolarHBondContact NE2-CE 2.98Å; H467-K522 PolarHBondContact NE2-NZ 3.21Å; R504-K522 PolarHBondContact NE-O 3.29Å
523	Y	88.1	Confident	85.8	Confident	9 Å²	9	58.6 Å²	58.6	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	120.4	170.6	-70.8	-87.5	0	0	0	109.3	S465 L466 V468 C492 Y493 L494 S502 R504 I521 L535	S465-Y523 CarbonylContact C-O 3.39Å; S465-Y523 WeakPolarHBondContact CA-O 3.4Å; S465-Y523 VanDerWaalsContact CB-O 3.3Å; S465-Y523 WeakPolarHBondContact CB-O 3.3Å; L466-Y523 PolarHBondContact N-O 2.87Å; L466-Y523 PolarHBondContact O-N 3.41Å; V468-Y523 HydrophobicContact CG2-CD2 4.14Å; V468-Y523 HydrophobicContact CG2-CE2 4.2Å; C492-Y523 HydrophobicContact CB-CE2 4.38Å; C492-Y523 WeakPolarHBondContact CB-OH 3.42Å; C492-Y523 PolarHBondContact O-OH 3.3Å; C492-Y523 VanDerWaalsContact O-OH 3.07Å; Y493-Y523 PolarHBondContact N-OH 3.43Å; L494-Y523 HydrophobicContact CB-CD1 3.87Å; L494-Y523 HydrophobicContact CB-CE1 3.71Å; L494-Y523 HydrophobicContact CD2-CD1 3.94Å; L494-Y523 HydrophobicContact CD2-CG 4.15Å; S502-Y523 WeakPolarHBondContact O-CE1 3.48Å; S502-Y523 PolarHBondContact O-OH 3.32Å; R504-Y523 HydrophobicContact CG-CE1 3.98Å; R504-Y523 HydrophobicContact CG-CE2 4.09Å; R504-Y523 WeakPolarHBondContact CG-OH 3.39Å; I521-Y523 HydrophobicContact CG2-CD2 4.09Å; I521-Y523 HydrophobicContact CG2-CE2 3.53Å; Y523-L535 HydrophobicContact CE2-CD1 4.21Å
524	S	85.8	Confident	85.4	Confident	112 Å²	112	57 Å²	57	78%	0.783	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	121.9	167.1	179.5	0	0	0	0	108.6
525	I	80.7	Confident	85.2	Confident	14 Å²	14	52.9 Å²	52.9	7%	0.072	29%	0.287	C	S	.	.			trans	-166.8	136.6	-178.4	-178.9	164.3	0	0	0	109.3	Y459 Q464 L466 L494 Q529 L530 R533	Y459-I525 WeakPolarHBondContact CE2-O 3.46Å; Y459-I525 PolarHBondContact OH-O 2.72Å; Q464-I525 CarbonylContact C-O 3.49Å; Q464-I525 PolarHBondContact O-N 3.02Å; Q464-I525 VanDerWaalsContact O-O 3.11Å; L466-I525 HydrophobicContact CB-CG2 4.17Å; L494-I525 HydrophobicContact CD2-CB 4.49Å; L494-I525 HydrophobicContact CD2-CD1 3.76Å; L494-I525 HydrophobicContact CD2-CG2 4.16Å; I525-Q529 HydrophobicContact CD1-CB 3.91Å; I525-Q529 HydrophobicContact CG1-CB 3.86Å; I525-L530 HydrophobicContact CD1-CD2 4.14Å; I525-L530 HydrophobicContact CG1-CD2 4.41Å; I525-L530 HydrophobicContact CG2-CD2 3.66Å; I525-L530 HydrophobicContact CG2-CG 4.3Å; I525-R533 HydrophobicContact CD1-CG 4.03Å
526	V	81.5	Confident	85	Confident	56 Å²	56	53.7 Å²	53.7	34%	0.339	29%	0.29	S	S	.	.			trans	-72.4	139.2	179.3	-170	0	0	0	0	110.7	S528 Q529	V526-S528 VanDerWaalsContact C-N 3.28Å; V526-S528 PolarHBondContact O-N 3.29Å; V526-S528 VanDerWaalsContact O-N 3.15Å; V526-Q529 HydrophobicContact CB-CG 4.45Å; V526-Q529 WeakPolarHBondContact O-CB 3.43Å; V526-Q529 PolarHBondContact O-N 3.37Å
527	R	81.4	Confident	85	Confident	87 Å²	87	50.3 Å²	50.3	33%	0.328	27%	0.27	S	S	.	.	H	α-helix	trans	-49.3	-42.4	-177	-164.3	172.5	174.5	137.1	4.5	114.4	Y459 E461 Q529 L530 E564	Y459-R527 HydrophobicContact CD1-CB 4.39Å; Y459-R527 HydrophobicContact CD1-CG 4.21Å; Y459-R527 HydrophobicContact CE1-CB 3.64Å; Y459-R527 HydrophobicContact CE1-CG 3.95Å; Y459-R527 HydrophobicContact CE2-CB 4.46Å; Y459-R527 PolarHBondContact OH-N 3.07Å; E461-R527 WeakPolarHBondContact OE2-CD 3.45Å; E461-R527 IonicContact OE2-NH1 3.1Å; E461-R527 PolarHBondContact OE2-NH1 3.45Å; E461-R527 VanDerWaalsContact OE2-NH1 3.12Å; R527-Q529 PolarHBondContact O-N 3.35Å; R527-L530 WeakPolarHBondContact O-CB 3.36Å; R527-L530 PolarHBondContact O-N 3.15Å; R527-E564 IonicContact CZ-OE1 2.7Å; R527-E564 IonicContact NH1-OE1 2.64Å; R527-E564 PolarHBondContact NH1-OE1 3.13Å; R527-E564 IonicContact NH2-OE1 3.54Å; R527-E564 PolarHBondContact NH2-OE1 3.42Å
528	S	75.3	Confident	84.9	Confident	92 Å²	92	50 Å²	50	64%	0.643	27%	0.269	S	S	*	.	H	α-helix	trans	-60.1	-25.4	177.5	53.7	0	0	0	0	114	V526	V526-S528 VanDerWaalsContact C-N 3.28Å; V526-S528 PolarHBondContact O-N 3.29Å; V526-S528 VanDerWaalsContact O-N 3.15Å
529	Q	73.2	Confident	84.9	Confident	93 Å²	93	45.6 Å²	45.6	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-84.4	-17.3	177	-58.3	-174.7	20.1	0	0	113.1	I525 V526 R527 V531 N532 R533	I525-Q529 HydrophobicContact CD1-CB 3.91Å; I525-Q529 HydrophobicContact CG1-CB 3.86Å; V526-Q529 HydrophobicContact CB-CG 4.45Å; V526-Q529 WeakPolarHBondContact O-CB 3.43Å; V526-Q529 PolarHBondContact O-N 3.37Å; R527-Q529 PolarHBondContact O-N 3.35Å; Q529-V531 VanDerWaalsContact C-N 3.33Å; Q529-V531 PolarHBondContact O-N 2.84Å; Q529-N532 PolarHBondContact O-N 3.41Å; Q529-R533 WeakPolarHBondContact O-CG 3.37Å
530	L	77.1	Confident	84.8	Confident	4 Å²	4	44 Å²	44	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-31.5	-177.4	-71.7	172.8	0	0	0	113	Y459 L466 I525 R527 N532 R533 L558 L563	Y459-L530 HydrophobicContact CD2-CD1 3.54Å; Y459-L530 HydrophobicContact CE2-CD1 3.82Å; Y459-L530 HydrophobicContact CG-CD1 4.21Å; L466-L530 HydrophobicContact CB-CD2 4.4Å; L466-L530 HydrophobicContact CD2-CD2 4.08Å; I525-L530 HydrophobicContact CD1-CD2 4.14Å; I525-L530 HydrophobicContact CG1-CD2 4.41Å; I525-L530 HydrophobicContact CG2-CD2 3.66Å; I525-L530 HydrophobicContact CG2-CG 4.3Å; R527-L530 WeakPolarHBondContact O-CB 3.36Å; R527-L530 PolarHBondContact O-N 3.15Å; L530-N532 PolarHBondContact O-N 3.16Å; L530-N532 VanDerWaalsContact O-N 3.1Å; L530-R533 WeakPolarHBondContact O-CB 3.39Å; L530-R533 PolarHBondContact O-N 3.42Å; L530-L558 HydrophobicContact CD2-CD1 3.99Å; L530-L563 HydrophobicContact CD1-CD1 3.81Å
531	V	70.3	Confident	84.6	Confident	77 Å²	77	40.8 Å²	40.8	47%	0.467	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.3	178.8	-174.4	0	0	0	0	111.7	Q529 D559 F586	Q529-V531 VanDerWaalsContact C-N 3.33Å; Q529-V531 PolarHBondContact O-N 2.84Å; V531-D559 HydrophobicContact CG1-CB 4.41Å; V531-F586 WeakPolarHBondContact O-CE1 3.47Å; V531-F586 WeakPolarHBondContact O-CZ 3.06Å
532	N	67.2	Low	84.3	Confident	70 Å²	70	43.3 Å²	43.3	37%	0.374	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	28.4	-179.7	-66.5	-17.9	0	0	0	113.3	Q529 L530 F586	Q529-N532 PolarHBondContact O-N 3.41Å; L530-N532 PolarHBondContact O-N 3.16Å; L530-N532 VanDerWaalsContact O-N 3.1Å; N532-F586 HydrophobicContact CB-CD1 4.35Å
533	R	75.8	Confident	83.6	Confident	60 Å²	60	38 Å²	38	23%	0.226	21%	0.207	C	C	.	.			trans	-130.6	154.2	-174.8	-60.5	-68.7	177.9	157.3	-1.2	113.1	L494 L495 I525 Q529 L530 L558	L494-R533 HydrophobicContact CD1-CB 3.93Å; L494-R533 HydrophobicContact CD1-CG 4.47Å; L494-R533 HydrophobicContact CG-CB 4.42Å; L494-R533 HydrophobicContact CG-CG 4.49Å; L495-R533 WeakPolarHBondContact O-CA 3.48Å; L495-R533 WeakPolarHBondContact O-CD 3.34Å; I525-R533 HydrophobicContact CD1-CG 4.03Å; Q529-R533 WeakPolarHBondContact O-CG 3.37Å; L530-R533 WeakPolarHBondContact O-CB 3.39Å; L530-R533 PolarHBondContact O-N 3.42Å; R533-L558 HydrophobicContact CB-CD1 4.11Å; R533-L558 PolarHBondContact O-N 2.82Å
534	C	84.4	Confident	82.6	Confident	5 Å²	5	47 Å²	47	3%	0.034	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.5	174.1	175.7	0	0	0	0	109.6	L495 A556	L495-C534 WeakPolarHBondContact CA-O 3.5Å; L495-C534 HydrophobicContact CB-CB 4.23Å; L495-C534 VanDerWaalsContact CB-O 3.25Å; L495-C534 WeakPolarHBondContact CB-O 3.44Å; L495-C534 PolarHBondContact N-O 2.63Å; L495-C534 PolarHBondContact O-N 3.18Å; C534-A556 CarbonylContact C-O 3.53Å; C534-A556 WeakPolarHBondContact CA-O 3.09Å; C534-A556 VanDerWaalsContact SG-C 3.59Å
535	L	90.7	Very high	81.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	118.1	171.9	-179.9	71.3	0	0	0	109.6	L457 V468 C492 Y523 I537 Q555 A556 L558	L457-L535 HydrophobicContact CD2-CD2 3.52Å; V468-L535 HydrophobicContact CB-CD2 4.36Å; V468-L535 HydrophobicContact CG1-CD2 3.61Å; V468-L535 HydrophobicContact CG2-CD1 4.03Å; V468-L535 HydrophobicContact CG2-CD2 3.77Å; C492-L535 HydrophobicContact CB-CD1 4.14Å; Y523-L535 HydrophobicContact CE2-CD1 4.21Å; L535-I537 HydrophobicContact CD2-CD1 3.8Å; L535-I537 HydrophobicContact CD2-CG1 3.84Å; L535-I537 HydrophobicContact CG-CD1 4.38Å; L535-I537 HydrophobicContact CG-CG1 3.87Å; L535-Q555 WeakPolarHBondContact O-CA 3.4Å; L535-A556 HydrophobicContact CB-CB 4.47Å; L535-A556 PolarHBondContact N-O 3.28Å; L535-A556 PolarHBondContact O-N 3Å; L535-L558 HydrophobicContact CB-CD2 4.26Å
536	M	91.1	Very high	80.8	Confident	19 Å²	19	53.4 Å²	53.4	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	116.2	172	-178.4	179.9	70.9	0	0	109.8	C492 Y493 L495 Q555	C492-M536 CarbonylContact C-O 3.48Å; C492-M536 WeakPolarHBondContact CA-O 3.19Å; Y493-M536 HydrophobicContact CD2-CE 3.56Å; Y493-M536 HydrophobicContact CE2-CE 4.15Å; Y493-M536 HydrophobicContact CG-CE 3.85Å; Y493-M536 PolarHBondContact N-O 3.27Å; Y493-M536 PolarHBondContact O-N 3.28Å; L495-M536 HydrophobicContact CD1-CB 3.75Å; L495-M536 HydrophobicContact CD1-CG 4.41Å; L495-M536 HydrophobicContact CD1-SD 4.1Å; L495-M536 HydrophobicContact CD2-CB 4.37Å; L495-M536 HydrophobicContact CD2-CE 4.1Å; L495-M536 HydrophobicContact CD2-SD 4.38Å; L495-M536 HydrophobicContact CG-CB 3.82Å; M536-Q555 HydrophobicContact CB-CG 4.24Å; M536-Q555 HydrophobicContact CG-CG 4.1Å
537	I	94.9	Very high	80.4	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.9	179.2	-51.3	179	0	0	0	107.5	V453 F455 I470 V490 L535 E553 V554	V453-I537 HydrophobicContact CG2-CG2 4.42Å; F455-I537 HydrophobicContact CB-CD1 4.4Å; F455-I537 HydrophobicContact CD1-CD1 3.71Å; F455-I537 HydrophobicContact CD2-CD1 3.87Å; F455-I537 HydrophobicContact CE1-CD1 3.88Å; F455-I537 HydrophobicContact CE2-CD1 4.04Å; F455-I537 HydrophobicContact CG-CD1 3.72Å; F455-I537 HydrophobicContact CZ-CD1 4.04Å; I470-I537 HydrophobicContact CD1-CD1 4.28Å; I470-I537 HydrophobicContact CD1-CG2 4.39Å; V490-I537 HydrophobicContact CG1-CG2 3.38Å; L535-I537 HydrophobicContact CD2-CD1 3.8Å; L535-I537 HydrophobicContact CD2-CG1 3.84Å; L535-I537 HydrophobicContact CG-CD1 4.38Å; L535-I537 HydrophobicContact CG-CG1 3.87Å; I537-E553 CarbonylContact O-C 3.59Å; I537-E553 VanDerWaalsContact O-CA 3.22Å; I537-E553 WeakPolarHBondContact O-CA 3.26Å; I537-E553 WeakPolarHBondContact O-CB 3.26Å; I537-V554 HydrophobicContact CB-CG2 3.82Å; I537-V554 HydrophobicContact CD1-CG2 4.39Å; I537-V554 HydrophobicContact CG1-CG2 4.4Å; I537-V554 PolarHBondContact N-O 3.14Å; I537-V554 PolarHBondContact O-N 3.2Å
538	S	94	Very high	80.5	Confident	3 Å²	3	57 Å²	57	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.1	179.4	60.9	0	0	0	0	112	V490 K491 W540 G552	V490-S538 CarbonylContact C-O 3.56Å; V490-S538 WeakPolarHBondContact CA-O 3.17Å; K491-S538 PolarHBondContact N-O 3.2Å; K491-S538 PolarHBondContact O-N 3.37Å; K491-S538 PolarHBondContact O-OG 3.34Å; S538-W540 PolarHBondContact OG-NE1 2.99Å; S538-G552 WeakPolarHBondContact CA-O 3.47Å
539	V	95.1	Very high	81.1	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138	-176.4	-167.5	0	0	0	0	109.6	L476 P488 V490 L551 G552 L573	L476-V539 HydrophobicContact CD1-CG1 3.84Å; L476-V539 HydrophobicContact CD2-CG1 4.09Å; P488-V539 HydrophobicContact CB-CG1 4.31Å; V490-V539 HydrophobicContact CG2-CG2 4.35Å; V539-L551 HydrophobicContact CB-CB 4.13Å; V539-L551 HydrophobicContact CG1-CB 4.09Å; V539-L551 HydrophobicContact CG1-CD1 4.28Å; V539-L551 PolarHBondContact O-N 2.93Å; V539-G552 PolarHBondContact N-O 3.33Å; V539-L573 HydrophobicContact CB-CD1 4.45Å; V539-L573 HydrophobicContact CG2-CD1 3.94Å; V539-L573 HydrophobicContact CG2-CD2 3.66Å; V539-L573 HydrophobicContact CG2-CG 4.49Å
540	W	93.3	Very high	81.8	Confident	15 Å²	15	49.2 Å²	49.2	6%	0.057	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.6	-172.9	-64.2	78.9	0	0	0	111.5	F444 P488 Y489 K491 S538 A549 F550	F444-W540 HydrophobicContact CD1-CZ3 4.45Å; F444-W540 AromaticContact CE1-CH2 3.84Å; F444-W540 HydrophobicContact CE1-CH2 3.84Å; F444-W540 AromaticContact CE1-CZ3 3.99Å; F444-W540 HydrophobicContact CE1-CZ3 3.99Å; F444-W540 HydrophobicContact CZ-CH2 4.42Å; P488-W540 CarbonylContact C-O 3.58Å; P488-W540 VanDerWaalsContact CA-O 3.31Å; P488-W540 WeakPolarHBondContact CA-O 3.3Å; Y489-W540 HydrophobicContact CD1-CB 4.13Å; Y489-W540 WeakPolarHBondContact CD1-O 3.2Å; Y489-W540 HydrophobicContact CE1-CB 3.58Å; Y489-W540 PolarHBondContact N-O 3.14Å; Y489-W540 PolarHBondContact O-N 3.25Å; K491-W540 HydrophobicContact CD-CG 4.2Å; K491-W540 VanDerWaalsContact CE-CD1 3.42Å; K491-W540 VanDerWaalsContact NZ-CD1 3.3Å; S538-W540 PolarHBondContact OG-NE1 2.99Å; W540-A549 CarbonylContact C-O 3.58Å; W540-A549 WeakPolarHBondContact CA-O 3.42Å; W540-F550 HydrophobicContact CD2-CD2 4.06Å; W540-F550 AromaticContact CE2-CD2 3.67Å; W540-F550 HydrophobicContact CE3-CB 4.11Å; W540-F550 HydrophobicContact CE3-CD2 4.36Å; W540-F550 HydrophobicContact CH2-CB 4.42Å; W540-F550 HydrophobicContact CH2-CD2 4.02Å; W540-F550 AromaticContact CZ2-CD2 3.67Å; W540-F550 HydrophobicContact CZ2-CD2 3.67Å; W540-F550 HydrophobicContact CZ2-CE2 4.28Å; W540-F550 HydrophobicContact CZ3-CB 4.04Å; W540-F550 HydrophobicContact CZ3-CD2 4.34Å
541	H	90	Very high	82.4	Confident	12 Å²	12	49 Å²	49	6%	0.056	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.9	167.5	178	105.5	0	0	0	110.2	A479 V485 N487 G543 N548 A549 L551	A479-H541 HydrophobicContact CB-CB 3.48Å; A479-H541 VanDerWaalsContact CB-CB 3.48Å; A479-H541 WeakPolarHBondContact CB-ND1 3.28Å; V485-H541 PolarHBondContact O-CE1 2.81Å; V485-H541 VanDerWaalsContact O-CE1 3.3Å; N487-H541 PolarHBondContact N-ND1 3.44Å; N487-H541 VanDerWaalsContact N-ND1 3.15Å; N487-H541 PolarHBondContact ND2-CE1 2.92Å; H541-G543 PolarHBondContact CD2-N 3.23Å; H541-G543 VanDerWaalsContact CD2-N 3.29Å; H541-N548 WeakPolarHBondContact O-CA 3.29Å; H541-N548 WeakPolarHBondContact O-CB 3.26Å; H541-N548 PolarHBondContact O-OD1 2.96Å; H541-A549 HydrophobicContact CB-CB 4.07Å; H541-A549 PolarHBondContact N-O 2.68Å; H541-L551 HydrophobicContact CB-CD1 4.2Å; H541-L551 HydrophobicContact CB-CG 4.45Å
542	H	87.3	Confident	83.4	Confident	65 Å²	65	45.3 Å²	45.3	30%	0.301	22%	0.216	S	C	.	.			trans	-93	107	166.3	-178.6	37.2	0	0	0	112.6	N487 Y489 I508 N548	N487-H542 HydrophobicContact CB-CB 4.46Å; N487-H542 PolarHBondContact ND2-O 3.05Å; N487-H542 PolarHBondContact O-N 3.29Å; Y489-H542 HydrophobicContact CD1-CB 4Å; Y489-H542 HydrophobicContact CE1-CB 3.97Å; I508-H542 HydrophobicContact CD1-CB 4.11Å; I508-H542 HydrophobicContact CG1-CB 4.28Å; I508-H542 HydrophobicContact CG2-CB 3.83Å; H542-N548 WeakPolarHBondContact CA-OD1 3.47Å; H542-N548 PolarHBondContact ND1-OD1 3.03Å; H542-N548 VanDerWaalsContact ND1-OD1 3.11Å
543	G	79.1	Confident	84.6	Confident	6 Å²	6	43.5 Å²	43.5	6%	0.062	21%	0.205	C	C	.	.			trans	-79	122.8	173	0	0	0	0	0	111	H541 L545 S546 N548	H541-G543 PolarHBondContact CD2-N 3.23Å; H541-G543 VanDerWaalsContact CD2-N 3.29Å; G543-L545 VanDerWaalsContact C-N 3.33Å; G543-S546 VanDerWaalsContact CA-OG 3.27Å; G543-S546 WeakPolarHBondContact CA-OG 3.45Å; G543-N548 PolarHBondContact N-OD1 3.06Å; G543-N548 VanDerWaalsContact N-OD1 3.13Å
544	R	67.4	Low	85.4	Confident	196 Å²	196	41 Å²	41	74%	0.74	20%	0.196	S	C	*	.	S	Bend	trans	-68	-34	175.2	-65.6	-164.2	-166.8	-170.4	9.6	112.5
545	L	61.8	Low	85.7	Confident	180 Å²	180	45 Å²	45	94%	0.942	22%	0.215	S	C	*	.	S	Bend	trans	-133.4	-22.2	-179.4	-63.2	174.8	0	0	0	112.5	G543	G543-L545 VanDerWaalsContact C-N 3.33Å
546	S	65.8	Low	85.6	Confident	81 Å²	81	45 Å²	45	57%	0.566	22%	0.215	S	C	*	.	S	Bend	trans	-81.8	176.8	171.8	47.5	0	0	0	0	112.3	G543	G543-S546 VanDerWaalsContact CA-OG 3.27Å; G543-S546 WeakPolarHBondContact CA-OG 3.45Å
547	R	73.9	Confident	85.1	Confident	154 Å²	154	45.4 Å²	45.4	58%	0.581	22%	0.22	S	C	*	.			trans	-69.6	161.4	168.1	-62.3	-180	-172.7	-160.4	-2.2	110	Q429 A549	Q429-R547 VanDerWaalsContact OE1-NH1 3.11Å; R547-A549 PolarHBondContact O-N 3.11Å
548	N	83.3	Confident	84.6	Confident	65 Å²	65	45.7 Å²	45.7	35%	0.348	22%	0.222	S	C	.	.			trans	-80.5	107.6	169.6	-67.3	-24.7	0	0	0	108.7	Y489 H541 H542 G543	Y489-N548 PolarHBondContact OH-ND2 3.48Å; H541-N548 WeakPolarHBondContact O-CA 3.29Å; H541-N548 WeakPolarHBondContact O-CB 3.26Å; H541-N548 PolarHBondContact O-OD1 2.96Å; H542-N548 WeakPolarHBondContact CA-OD1 3.47Å; H542-N548 PolarHBondContact ND1-OD1 3.03Å; H542-N548 VanDerWaalsContact ND1-OD1 3.11Å; G543-N548 PolarHBondContact N-OD1 3.06Å; G543-N548 VanDerWaalsContact N-OD1 3.13Å
549	A	86.6	Confident	83.6	Confident	9 Å²	9	48.9 Å²	48.9	7%	0.074	24%	0.239	C	C	.	.			trans	-68.9	152.5	174	0	0	0	0	0	111.4	V447 A479 W540 H541 R547	V447-A549 HydrophobicContact CG2-CB 4.31Å; A479-A549 HydrophobicContact CB-CB 4.05Å; W540-A549 CarbonylContact C-O 3.58Å; W540-A549 WeakPolarHBondContact CA-O 3.42Å; H541-A549 HydrophobicContact CB-CB 4.07Å; H541-A549 PolarHBondContact N-O 2.68Å; R547-A549 PolarHBondContact O-N 3.11Å
550	F	89.8	Confident	81.9	Confident	12 Å²	12	53.7 Å²	53.7	5%	0.053	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138	173.3	177	-105	0	0	0	109.4	F444 V449 W540 G552 E553 K576	F444-F550 HydrophobicContact CD1-CB 4.19Å; V449-F550 HydrophobicContact CG2-CD1 4.22Å; V449-F550 HydrophobicContact CG2-CE1 4.1Å; W540-F550 HydrophobicContact CD2-CD2 4.06Å; W540-F550 AromaticContact CE2-CD2 3.67Å; W540-F550 HydrophobicContact CE3-CB 4.11Å; W540-F550 HydrophobicContact CE3-CD2 4.36Å; W540-F550 HydrophobicContact CH2-CB 4.42Å; W540-F550 HydrophobicContact CH2-CD2 4.02Å; W540-F550 AromaticContact CZ2-CD2 3.67Å; W540-F550 HydrophobicContact CZ2-CD2 3.67Å; W540-F550 HydrophobicContact CZ2-CE2 4.28Å; W540-F550 HydrophobicContact CZ3-CB 4.04Å; W540-F550 HydrophobicContact CZ3-CD2 4.34Å; F550-G552 VanDerWaalsContact CE1-CA 3.42Å; F550-E553 HydrophobicContact CE2-CB 4.04Å; F550-E553 HydrophobicContact CE2-CG 4.28Å; F550-E553 WeakPolarHBondContact CE2-OE2 3.45Å; F550-E553 HydrophobicContact CZ-CB 3.87Å; F550-E553 HydrophobicContact CZ-CG 3.8Å; F550-K576 HydrophobicContact CE1-CB 4.35Å; F550-K576 HydrophobicContact CE1-CD 4.32Å; F550-K576 HydrophobicContact CE1-CG 3.87Å; F550-K576 HydrophobicContact CE2-CD 4.19Å; F550-K576 HydrophobicContact CE2-CG 4.26Å; F550-K576 HydrophobicContact CZ-CD 4.07Å; F550-K576 HydrophobicContact CZ-CG 3.67Å
551	L	89.5	Confident	80.9	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	8.9	-177.9	-60.2	178.1	0	0	0	113	V447 A477 A479 P488 V539 H541	V447-L551 HydrophobicContact CG1-CD2 4.11Å; A477-L551 HydrophobicContact CB-CD2 4.16Å; A479-L551 HydrophobicContact CB-CD2 4.11Å; P488-L551 HydrophobicContact CB-CD1 4.2Å; V539-L551 HydrophobicContact CB-CB 4.13Å; V539-L551 HydrophobicContact CG1-CB 4.09Å; V539-L551 HydrophobicContact CG1-CD1 4.28Å; V539-L551 PolarHBondContact O-N 2.93Å; H541-L551 HydrophobicContact CB-CD1 4.2Å; H541-L551 HydrophobicContact CB-CG 4.45Å
552	G	90.1	Very high	80.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	118.1	162.6	178.3	0	0	0	0	0	114.4	S538 V539 F550 M574	S538-G552 WeakPolarHBondContact CA-O 3.47Å; V539-G552 PolarHBondContact N-O 3.33Å; F550-G552 VanDerWaalsContact CE1-CA 3.42Å; G552-M574 CarbonylContact C-O 3.59Å; G552-M574 VanDerWaalsContact CA-O 3.31Å; G552-M574 WeakPolarHBondContact CA-O 3.23Å
553	E	93.8	Very high	80	Confident	32 Å²	32	55.5 Å²	55.5	15%	0.15	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.4	175.5	70	-165.5	-155.6	0	0	113.1	I537 F550 M574 K576	I537-E553 CarbonylContact O-C 3.59Å; I537-E553 VanDerWaalsContact O-CA 3.22Å; I537-E553 WeakPolarHBondContact O-CA 3.26Å; I537-E553 WeakPolarHBondContact O-CB 3.26Å; F550-E553 HydrophobicContact CE2-CB 4.04Å; F550-E553 HydrophobicContact CE2-CG 4.28Å; F550-E553 WeakPolarHBondContact CE2-OE2 3.45Å; F550-E553 HydrophobicContact CZ-CB 3.87Å; F550-E553 HydrophobicContact CZ-CG 3.8Å; E553-M574 PolarHBondContact N-O 2.82Å; E553-M574 WeakPolarHBondContact O-CB 3.31Å; E553-M574 PolarHBondContact O-N 3.36Å; E553-K576 WeakPolarHBondContact OE2-CE 3.15Å; E553-K576 IonicContact OE2-NZ 3.85Å
554	V	92.4	Very high	79.8	Confident	6 Å²	6	60.7 Å²	60.7	4%	0.036	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.2	172.3	-64.7	0	0	0	0	110.1	V453 I537 M571 A572 L573	V453-V554 HydrophobicContact CG1-CG1 4.44Å; V453-V554 HydrophobicContact CG1-CG2 3.65Å; I537-V554 HydrophobicContact CB-CG2 3.82Å; I537-V554 HydrophobicContact CD1-CG2 4.39Å; I537-V554 HydrophobicContact CG1-CG2 4.4Å; I537-V554 PolarHBondContact N-O 3.14Å; I537-V554 PolarHBondContact O-N 3.2Å; V554-M571 HydrophobicContact CB-CB 4.32Å; V554-M571 HydrophobicContact CB-CE 4.32Å; V554-M571 HydrophobicContact CG1-CB 3.89Å; V554-M571 HydrophobicContact CG2-CB 4.41Å; V554-A572 WeakPolarHBondContact CG1-O 3.23Å; V554-L573 HydrophobicContact CG1-CD2 4.28Å
555	Q	90.7	Very high	80	Confident	91 Å²	91	54.8 Å²	54.8	43%	0.425	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.9	176.7	-72.8	-172.1	44.2	0	0	109.7	L535 M536	L535-Q555 WeakPolarHBondContact O-CA 3.4Å; M536-Q555 HydrophobicContact CB-CG 4.24Å; M536-Q555 HydrophobicContact CG-CG 4.1Å
556	A	86.8	Confident	80.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	102	-179.6	0	0	0	0	0	109.3	F455 C534 L535	F455-A556 HydrophobicContact CE2-CB 4.5Å; F455-A556 HydrophobicContact CZ-CB 4.2Å; C534-A556 CarbonylContact C-O 3.53Å; C534-A556 WeakPolarHBondContact CA-O 3.09Å; C534-A556 VanDerWaalsContact SG-C 3.59Å; L535-A556 HydrophobicContact CB-CB 4.47Å; L535-A556 PolarHBondContact N-O 3.28Å; L535-A556 PolarHBondContact O-N 3Å
557	A	81.6	Confident	81.6	Confident	26 Å²	26	48.4 Å²	48.4	22%	0.215	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	145.9	169.4	0	0	0	0	0	110.5	D559 R561 F586	A557-D559 WeakPolarHBondContact CB-OD1 3.44Å; A557-R561 WeakPolarHBondContact O-CD 3.11Å; A557-R561 WeakPolarHBondContact O-CG 3.22Å; A557-R561 PolarHBondContact O-NE 3.09Å; A557-F586 HydrophobicContact CB-CE2 4.47Å
558	L	84.4	Confident	82.4	Confident	6 Å²	6	46 Å²	46	3%	0.031	24%	0.244	C	C	.	.	S	Bend	trans	-111.7	7.4	-172.8	-54.8	179.2	0	0	0	113	L457 L466 L494 L530 R533 L535	L457-L558 HydrophobicContact CD1-CD2 3.65Å; L466-L558 HydrophobicContact CD2-CD1 3.75Å; L494-L558 HydrophobicContact CD1-CD1 3.59Å; L530-L558 HydrophobicContact CD2-CD1 3.99Å; R533-L558 HydrophobicContact CB-CD1 4.11Å; R533-L558 PolarHBondContact O-N 2.82Å; L535-L558 HydrophobicContact CB-CD2 4.26Å
559	D	72.9	Confident	82.7	Confident	71 Å²	71	44.1 Å²	44.1	38%	0.38	23%	0.232	S	C	.	.	S	Bend	trans	-74.6	-42.1	177.8	57.9	-21.5	0	0	0	113.5	V531 A557 F586	V531-D559 HydrophobicContact CG1-CB 4.41Å; A557-D559 WeakPolarHBondContact CB-OD1 3.44Å; D559-F586 HydrophobicContact CB-CE2 4.21Å; D559-F586 HydrophobicContact CB-CZ 3.78Å; D559-F586 WeakPolarHBondContact OD2-CE2 3.33Å; D559-F586 WeakPolarHBondContact OD2-CZ 3.38Å
560	C	58.8	Low	83	Confident	101 Å²	101	50 Å²	50	68%	0.682	26%	0.258	S	S	*	.	S	Bend	trans	-113.3	11.1	-170.8	59.5	0	0	0	0	113.8
561	R	72.8	Confident	83.2	Confident	62 Å²	62	51.8 Å²	51.8	23%	0.234	27%	0.268	C	S	.	.			trans	-99.1	137.2	-178.2	-65.4	-170.6	-167.3	-92.1	-6.1	112.1	A557 L563 E569	A557-R561 WeakPolarHBondContact O-CD 3.11Å; A557-R561 WeakPolarHBondContact O-CG 3.22Å; A557-R561 PolarHBondContact O-NE 3.09Å; R561-L563 HydrophobicContact CB-CD2 4.29Å; R561-L563 PolarHBondContact O-N 3.48Å; R561-E569 IonicContact CZ-OE2 2.68Å; R561-E569 IonicContact NE-OE2 3.26Å; R561-E569 IonicContact NH1-OE1 3.17Å; R561-E569 PolarHBondContact NH1-OE1 3.18Å; R561-E569 VanDerWaalsContact NH1-OE1 3.1Å; R561-E569 IonicContact NH1-OE2 2.71Å; R561-E569 PolarHBondContact NH1-OE2 3.27Å
562	D	74.9	Confident	83.3	Confident	60 Å²	60	55.1 Å²	55.1	32%	0.321	30%	0.295	S	S	.	.			trans	-67.4	116	162	165.3	12.7	0	0	0	108.7	E564 S565	D562-E564 PolarHBondContact OD1-N 3.18Å; D562-S565 PolarHBondContact OD1-N 3.09Å; D562-S565 PolarHBondContact OD1-OG 3.09Å; D562-S565 WeakPolarHBondContact OD2-CB 3.38Å; D562-S565 PolarHBondContact OD2-OG 3.11Å
563	L	82.6	Confident	83.5	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.042	30%	0.298	C	S	.	.			trans	-105.6	9.5	178.7	-58.8	177.7	0	0	0	112	L457 K458 Y459 L466 L530 R561	L457-L563 HydrophobicContact CB-CD2 3.66Å; L457-L563 HydrophobicContact CD1-CD2 4.23Å; K458-L563 CarbonylContact C-O 3.58Å; K458-L563 VanDerWaalsContact CA-O 3.3Å; K458-L563 WeakPolarHBondContact CA-O 3.36Å; Y459-L563 PolarHBondContact N-O 2.72Å; L466-L563 HydrophobicContact CD1-CD1 4.43Å; L466-L563 HydrophobicContact CD1-CD2 4.22Å; L530-L563 HydrophobicContact CD1-CD1 3.81Å; R561-L563 HydrophobicContact CB-CD2 4.29Å; R561-L563 PolarHBondContact O-N 3.48Å
564	E	74.9	Confident	83.3	Confident	115 Å²	115	59.7 Å²	59.7	54%	0.537	32%	0.318	S	S	.	.	S	Bend	trans	-105.4	-43.6	-174.4	-78.6	158.3	-145.2	0	0	111.6	R527 D562 G566	R527-E564 IonicContact CZ-OE1 2.7Å; R527-E564 IonicContact NH1-OE1 2.64Å; R527-E564 PolarHBondContact NH1-OE1 3.13Å; R527-E564 IonicContact NH2-OE1 3.54Å; R527-E564 PolarHBondContact NH2-OE1 3.42Å; D562-E564 PolarHBondContact OD1-N 3.18Å; E564-G566 PolarHBondContact O-N 3Å
565	S	72.6	Confident	82.9	Confident	72 Å²	72	62.1 Å²	62.1	50%	0.503	34%	0.338	S	S	.	.	S	Bend	trans	-65.4	-25.1	177.3	66.3	0	0	0	0	113.5	D562 R567	D562-S565 PolarHBondContact OD1-N 3.09Å; D562-S565 PolarHBondContact OD1-OG 3.09Å; D562-S565 WeakPolarHBondContact OD2-CB 3.38Å; D562-S565 PolarHBondContact OD2-OG 3.11Å; S565-R567 PolarHBondContact O-N 3.13Å; S565-R567 PolarHBondContact OG-N 2.91Å
566	G	76.4	Confident	82	Confident	18 Å²	18	61.1 Å²	61.1	19%	0.186	33%	0.333	C	S	.	.			trans	65.1	23.7	-176.3	0	0	0	0	0	113.6	S456 L457 E564	S456-G566 WeakPolarHBondContact CB-O 3.26Å; S456-G566 PolarHBondContact OG-O 3.14Å; L457-G566 WeakPolarHBondContact O-CA 3.3Å; E564-G566 PolarHBondContact O-N 3Å
567	R	84.1	Confident	80.3	Confident	108 Å²	108	65.6 Å²	65.6	41%	0.408	36%	0.36	S	S	.	.			trans	-53.6	142.5	-177.1	67.5	-168.5	-169.7	-164.4	2.9	113	S456 S565 E569	S456-R567 WeakPolarHBondContact CA-O 3.16Å; S456-R567 WeakPolarHBondContact CB-O 3.38Å; S565-R567 PolarHBondContact O-N 3.13Å; S565-R567 PolarHBondContact OG-N 2.91Å; R567-E569 HydrophobicContact CG-CG 4.3Å; R567-E569 IonicContact CZ-OE1 3.72Å; R567-E569 IonicContact NE-OE1 3.59Å; R567-E569 PolarHBondContact NE-OE1 3.49Å; R567-E569 VanDerWaalsContact NE-OE1 3.12Å; R567-E569 IonicContact NH2-OE1 2.64Å; R567-E569 PolarHBondContact NH2-OE1 3.02Å
568	E	91.3	Very high	78.6	Confident	105 Å²	105	67.8 Å²	67.8	49%	0.491	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	131.9	172.3	-65.3	-172.9	-172.6	0	0	110.7	V454 F455 K471	V454-E568 HydrophobicContact CG1-CB 4.43Å; F455-E568 WeakPolarHBondContact O-CA 3.36Å; K471-E568 WeakPolarHBondContact CD-OE1 3.47Å; K471-E568 WeakPolarHBondContact CD-OE2 3.47Å; K471-E568 IonicContact NZ-OE1 3.49Å; K471-E568 PolarHBondContact NZ-OE1 3.2Å; K471-E568 IonicContact NZ-OE2 2.79Å; K471-E568 PolarHBondContact NZ-OE2 2.89Å
569	E	89.8	Confident	76.7	Confident	24 Å²	24	73.6 Å²	73.6	11%	0.112	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.6	177.2	-60.4	-174.4	155.7	0	0	108.6	V454 F455 R561 R567	V454-E569 WeakPolarHBondContact CA-O 3.5Å; F455-E569 HydrophobicContact CE1-CB 4.46Å; F455-E569 HydrophobicContact CE2-CB 4.47Å; F455-E569 HydrophobicContact CZ-CB 4.22Å; F455-E569 PolarHBondContact N-O 3.1Å; F455-E569 PolarHBondContact O-N 2.83Å; R561-E569 IonicContact CZ-OE2 2.68Å; R561-E569 IonicContact NE-OE2 3.26Å; R561-E569 IonicContact NH1-OE1 3.17Å; R561-E569 PolarHBondContact NH1-OE1 3.18Å; R561-E569 VanDerWaalsContact NH1-OE1 3.1Å; R561-E569 IonicContact NH1-OE2 2.71Å; R561-E569 PolarHBondContact NH1-OE2 3.27Å; R567-E569 HydrophobicContact CG-CG 4.3Å; R567-E569 IonicContact CZ-OE1 3.72Å; R567-E569 IonicContact NE-OE1 3.59Å; R567-E569 PolarHBondContact NE-OE1 3.49Å; R567-E569 VanDerWaalsContact NE-OE1 3.12Å; R567-E569 IonicContact NH2-OE1 2.64Å; R567-E569 PolarHBondContact NH2-OE1 3.02Å
570	Q	93.4	Very high	75	Confident	133 Å²	133	74.3 Å²	74.3	62%	0.621	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.3	178.1	-179.5	174.4	-6	0	0	108.4	D452 V453 V454	D452-Q570 HydrophobicContact CB-CG 4.28Å; D452-Q570 PolarHBondContact OD2-NE2 2.91Å; V453-Q570 WeakPolarHBondContact O-CA 3.33Å; V454-Q570 HydrophobicContact CG2-CB 4.21Å; V454-Q570 HydrophobicContact CG2-CG 3.99Å
571	M	92.1	Very high	74	Confident	50 Å²	50	74.4 Å²	74.4	25%	0.246	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.5	-178	-64.4	-172.5	70.8	0	0	111.1	D452 V453 F455 V554	D452-M571 CarbonylContact C-O 3.45Å; D452-M571 WeakPolarHBondContact CA-O 3.3Å; D452-M571 WeakPolarHBondContact CB-O 3.42Å; V453-M571 PolarHBondContact N-O 3.06Å; V453-M571 PolarHBondContact O-N 3.29Å; F455-M571 HydrophobicContact CE1-CB 4.33Å; F455-M571 HydrophobicContact CE1-CG 3.94Å; F455-M571 HydrophobicContact CE1-SD 3.82Å; F455-M571 HydrophobicContact CZ-CG 4.34Å; F455-M571 HydrophobicContact CZ-SD 3.73Å; V554-M571 HydrophobicContact CB-CB 4.32Å; V554-M571 HydrophobicContact CB-CE 4.32Å; V554-M571 HydrophobicContact CG1-CB 3.89Å; V554-M571 HydrophobicContact CG2-CB 4.41Å
572	A	93.5	Very high	72.3	Confident	69 Å²	69	77.1 Å²	77.1	57%	0.57	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	136	174.3	0	0	0	0	0	110.9	V554	V554-A572 WeakPolarHBondContact CG1-O 3.23Å
573	L	92.9	Very high	70.6	Confident	11 Å²	11	77 Å²	77	6%	0.058	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-76.7	131.4	-177.5	-69.1	168	0	0	0	110.8	V449 G451 V453 L476 V539 V554	V449-L573 HydrophobicContact CG1-CB 3.97Å; V449-L573 WeakPolarHBondContact CG1-O 3.18Å; G451-L573 PolarHBondContact O-N 3.18Å; V453-L573 HydrophobicContact CB-CD2 4.27Å; V453-L573 HydrophobicContact CG1-CD2 3.98Å; L476-L573 HydrophobicContact CD2-CD1 3.23Å; V539-L573 HydrophobicContact CB-CD1 4.45Å; V539-L573 HydrophobicContact CG2-CD1 3.94Å; V539-L573 HydrophobicContact CG2-CD2 3.66Å; V539-L573 HydrophobicContact CG2-CG 4.49Å; V554-L573 HydrophobicContact CG1-CD2 4.28Å
574	M	89.3	Confident	68.8	Low	118 Å²	118	78.3 Å²	78.3	58%	0.581	48%	0.483	S	S	*	.	B	Isolated β-bridge	trans	-101.7	145.9	-178.4	-57.8	-59.6	-70.8	0	0	111.6	G552 E553	G552-M574 CarbonylContact C-O 3.59Å; G552-M574 VanDerWaalsContact CA-O 3.31Å; G552-M574 WeakPolarHBondContact CA-O 3.23Å; E553-M574 PolarHBondContact N-O 2.82Å; E553-M574 WeakPolarHBondContact O-CB 3.31Å; E553-M574 PolarHBondContact O-N 3.36Å
575	A	84.2	Confident	67.3	Low	56 Å²	56	77.6 Å²	77.6	46%	0.463	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-68.5	156	167.4	0	0	0	0	0	111.2	V449 T577	V449-A575 HydrophobicContact CB-CB 4.22Å; V449-A575 HydrophobicContact CG2-CB 4.14Å; A575-T577 VanDerWaalsContact C-N 3.33Å; A575-T577 PolarHBondContact O-N 2.85Å
576	K	71.6	Confident	65.9	Low	70 Å²	70	76 Å²	76	30%	0.304	47%	0.472	S	S	.	.			trans	-71.8	86.2	173	-85.4	-179.4	173.2	-174.6	0	111.2	S439 F444 F550 E553 G578	S439-K576 PolarHBondContact O-NZ 2.99Å; F444-K576 HydrophobicContact CE2-CD 3.87Å; F444-K576 HydrophobicContact CZ-CD 4.24Å; F550-K576 HydrophobicContact CE1-CB 4.35Å; F550-K576 HydrophobicContact CE1-CD 4.32Å; F550-K576 HydrophobicContact CE1-CG 3.87Å; F550-K576 HydrophobicContact CE2-CD 4.19Å; F550-K576 HydrophobicContact CE2-CG 4.26Å; F550-K576 HydrophobicContact CZ-CD 4.07Å; F550-K576 HydrophobicContact CZ-CG 3.67Å; E553-K576 WeakPolarHBondContact OE2-CE 3.15Å; E553-K576 IonicContact OE2-NZ 3.85Å; K576-G578 PolarHBondContact O-N 3.27Å; K576-G578 VanDerWaalsContact O-N 3.14Å
577	T	52.2	Low	64.6	Low	94 Å²	94	77.3 Å²	77.3	58%	0.577	48%	0.481	S	S	*	.			trans	-62.8	110.5	171.9	50.8	0	0	0	0	110.4	A575 S579	A575-T577 VanDerWaalsContact C-N 3.33Å; A575-T577 PolarHBondContact O-N 2.85Å; T577-S579 PolarHBondContact O-N 3.43Å
578	G	46.2	Very low	63.1	Low	73 Å²	73	77.5 Å²	77.5	75%	0.753	49%	0.486	S	S	*	.			trans	-67.8	98.7	173.5	0	0	0	0	0	111.8	K576 A580	K576-G578 PolarHBondContact O-N 3.27Å; K576-G578 VanDerWaalsContact O-N 3.14Å; G578-A580 PolarHBondContact O-N 3.12Å
579	S	45	Very low	61.9	Low	127 Å²	127	75.5 Å²	75.5	89%	0.888	48%	0.475	S	S	*	.	S	Bend	trans	59	48.6	161.1	-170.1	0	0	0	0	117	T577	T577-S579 PolarHBondContact O-N 3.43Å
580	A	36.8	Very low	61	Low	87 Å²	87	75.5 Å²	75.5	72%	0.719	47%	0.474	S	S	*	.			trans	-148	27.7	176.9	0	0	0	0	0	116.1	G578	G578-A580 PolarHBondContact O-N 3.12Å
581	V	37.4	Very low	60.5	Low	102 Å²	102	69.2 Å²	69.2	62%	0.618	45%	0.445	S	S	*	.	S	Bend	trans	-136.2	145.2	172.7	179.5	0	0	0	0	107.5	A583	V581-A583 PolarHBondContact O-N 3.24Å; V581-A583 VanDerWaalsContact O-N 3.14Å
582	P	38	Very low	60.3	Low	120 Å²	120	69.2 Å²	69.2	78%	0.779	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-53.7	122.6	178.5	-27.2	35.6	0	0	0	111.3	S584	P582-S584 PolarHBondContact O-N 2.77Å
583	A	37.7	Very low	60.2	Low	56 Å²	56	65.9 Å²	65.9	46%	0.463	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-57.5	128.2	166	0	0	0	0	0	107.5	V581 A587 Q588	V581-A583 PolarHBondContact O-N 3.24Å; V581-A583 VanDerWaalsContact O-N 3.14Å; A583-A587 HydrophobicContact CB-CB 4.22Å; A583-Q588 HydrophobicContact CB-CG 4.24Å; A583-Q588 PolarHBondContact O-NE2 3.35Å
584	S	45.2	Very low	60.2	Low	37 Å²	37	65.5 Å²	65.5	26%	0.259	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-53.8	149.1	-179.8	62.6	0	0	0	0	110.1	P582 F586 A587	P582-S584 PolarHBondContact O-N 2.77Å; S584-F586 PolarHBondContact O-N 3.47Å; S584-A587 WeakPolarHBondContact O-CB 3.3Å; S584-A587 PolarHBondContact O-N 3.41Å
585	P	43.4	Very low	60.5	Low	100 Å²	100	59.9 Å²	59.9	65%	0.649	39%	0.387	S	S	*	.	H	α-helix	trans	-50.3	-38.4	-174.9	-30.1	36.4	0	0	0	113.1	A587 Q588 Y589	P585-A587 VanDerWaalsContact C-N 3.32Å; P585-A587 PolarHBondContact O-N 3.04Å; P585-Q588 PolarHBondContact O-N 3.14Å; P585-Q588 VanDerWaalsContact O-N 3.14Å; P585-Y589 PolarHBondContact O-N 2.7Å
586	F	43.9	Very low	61.1	Low	39 Å²	39	57.3 Å²	57.3	17%	0.171	37%	0.366	C	S	.	.	H	α-helix	trans	-66	-21.4	177.3	-51.2	-66.8	0	0	0	115.7	V531 N532 A557 D559 S584	V531-F586 WeakPolarHBondContact O-CE1 3.47Å; V531-F586 WeakPolarHBondContact O-CZ 3.06Å; N532-F586 HydrophobicContact CB-CD1 4.35Å; A557-F586 HydrophobicContact CB-CE2 4.47Å; D559-F586 HydrophobicContact CB-CE2 4.21Å; D559-F586 HydrophobicContact CB-CZ 3.78Å; D559-F586 WeakPolarHBondContact OD2-CE2 3.33Å; D559-F586 WeakPolarHBondContact OD2-CZ 3.38Å; S584-F586 PolarHBondContact O-N 3.47Å
587	A	47.9	Very low	62.2	Low	44 Å²	44	54 Å²	54	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-78.7	-22.9	173.9	0	0	0	0	0	112.5	A583 S584 P585 K590	A583-A587 HydrophobicContact CB-CB 4.22Å; S584-A587 WeakPolarHBondContact O-CB 3.3Å; S584-A587 PolarHBondContact O-N 3.41Å; P585-A587 VanDerWaalsContact C-N 3.32Å; P585-A587 PolarHBondContact O-N 3.04Å; A587-K590 PolarHBondContact O-NZ 2.94Å; A587-K590 VanDerWaalsContact O-NZ 3.09Å
588	Q	53.9	Low	64.2	Low	112 Å²	112	51.5 Å²	51.5	52%	0.523	33%	0.333	S	S	.	.	H	α-helix	trans	-88.6	-34.9	-178.4	-56.8	-171.1	12.5	0	0	112.7	A583 P585 K590 S758	A583-Q588 HydrophobicContact CB-CG 4.24Å; A583-Q588 PolarHBondContact O-NE2 3.35Å; P585-Q588 PolarHBondContact O-N 3.14Å; P585-Q588 VanDerWaalsContact O-N 3.14Å; Q588-K590 PolarHBondContact O-N 2.84Å; Q588-S758 PolarHBondContact O-OG 3.1Å
589	Y	64.9	Low	66.3	Low	64 Å²	64	48.3 Å²	48.3	25%	0.251	30%	0.298	S	S	.	.			trans	-62.4	122.2	-179.7	-174.1	-94.5	0	0	0	112	P585 E592 N632	P585-Y589 PolarHBondContact O-N 2.7Å; Y589-E592 HydrophobicContact CE2-CG 4.1Å; Y589-E592 VanDerWaalsContact CE2-OE1 3.3Å; Y589-E592 WeakPolarHBondContact CE2-OE1 3.14Å; Y589-E592 PolarHBondContact OH-OE1 3.39Å; Y589-N632 HydrophobicContact CE1-CB 3.85Å; Y589-N632 WeakPolarHBondContact OH-CB 3.33Å; Y589-N632 PolarHBondContact OH-ND2 2.93Å
590	K	72.4	Confident	68.5	Low	24 Å²	24	43.6 Å²	43.6	10%	0.104	26%	0.264	C	S	.	.			trans	-108.9	5	177.5	-66.4	-61.7	-179.3	-90.7	0	114.3	A587 Q588 M634 L708 L756 S758	A587-K590 PolarHBondContact O-NZ 2.94Å; A587-K590 VanDerWaalsContact O-NZ 3.09Å; Q588-K590 PolarHBondContact O-N 2.84Å; K590-M634 HydrophobicContact CD-CB 4.48Å; K590-M634 HydrophobicContact CD-CG 4.24Å; K590-M634 HydrophobicContact CD-SD 3.49Å; K590-M634 WeakPolarHBondContact CD-SD 3.5Å; K590-M634 PolarHBondContact O-N 3.05Å; K590-L708 VanDerWaalsContact CB-O 3.29Å; K590-L708 WeakPolarHBondContact CB-O 3.15Å; K590-L708 VanDerWaalsContact CD-O 3.32Å; K590-L708 WeakPolarHBondContact CD-O 3.21Å; K590-L708 WeakPolarHBondContact CG-O 3.33Å; K590-L756 HydrophobicContact CB-CB 3.77Å; K590-S758 WeakPolarHBondContact CE-OG 3.46Å; K590-S758 WeakPolarHBondContact CG-OG 3.48Å; K590-S758 PolarHBondContact NZ-OG 3.11Å
591	G	81.9	Confident	70.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.244	C	C	.	.			trans	103.2	-174.1	-161.9	0	0	0	0	0	111.1	K631 N632 L756	G591-K631 CarbonylContact C-O 3.5Å; G591-K631 WeakPolarHBondContact CA-O 3.31Å; G591-N632 WeakPolarHBondContact CA-O 3.44Å; G591-L756 WeakPolarHBondContact O-CB 3.1Å; G591-L756 PolarHBondContact O-N 3.14Å
592	E	88.1	Confident	72.9	Confident	50 Å²	50	38.7 Å²	38.7	23%	0.234	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	155	179.8	-72	146.1	-139.7	0	0	110.5	Y589 A630 K631 T753 L754	Y589-E592 HydrophobicContact CE2-CG 4.1Å; Y589-E592 VanDerWaalsContact CE2-OE1 3.3Å; Y589-E592 WeakPolarHBondContact CE2-OE1 3.14Å; Y589-E592 PolarHBondContact OH-OE1 3.39Å; E592-A630 CarbonylContact O-C 3.58Å; E592-A630 WeakPolarHBondContact O-CA 3.11Å; E592-A630 WeakPolarHBondContact O-CB 3.17Å; E592-K631 HydrophobicContact CB-CB 4.34Å; E592-K631 PolarHBondContact N-O 3.28Å; E592-K631 PolarHBondContact O-N 2.64Å; E592-T753 HydrophobicContact CB-CG2 3.72Å; E592-T753 HydrophobicContact CG-CG2 4.01Å; E592-T753 WeakPolarHBondContact OE2-CG2 3.26Å; E592-L754 CarbonylContact C-O 3.56Å; E592-L754 VanDerWaalsContact CA-O 3.28Å; E592-L754 WeakPolarHBondContact CA-O 3.17Å
593	L	92.3	Very high	74.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.3	171.6	-169.2	69.1	0	0	0	109.7	I595 I627 A630 V646 Y673 L694 V696 V711 L754 L756	L593-I595 HydrophobicContact CD2-CG2 3.88Å; L593-I595 HydrophobicContact CG-CG2 3.77Å; L593-I627 HydrophobicContact CD1-CG2 4.2Å; L593-A630 HydrophobicContact CD1-CB 3.94Å; L593-V646 HydrophobicContact CD1-CG2 4.18Å; L593-V646 HydrophobicContact CD2-CG1 4.47Å; L593-Y673 HydrophobicContact CD1-CE2 4.44Å; L593-L694 HydrophobicContact CD2-CB 4.1Å; L593-L694 HydrophobicContact CD2-CD1 4.07Å; L593-V696 HydrophobicContact CD1-CG2 4.21Å; L593-V696 HydrophobicContact CD2-CG2 4.48Å; L593-V711 HydrophobicContact CD2-CG2 4.32Å; L593-L754 PolarHBondContact N-O 2.9Å; L593-L754 PolarHBondContact O-N 3.37Å; L593-L756 HydrophobicContact CB-CD2 4.02Å; L593-L756 HydrophobicContact CB-CG 4.45Å
594	V	92.5	Very high	75.4	Confident	2 Å²	2	46 Å²	46	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.9	177.4	-170.7	0	0	0	0	108.6	K628 E629 K631 T753	V594-K628 HydrophobicContact CB-CB 4.46Å; V594-K628 HydrophobicContact CG1-CB 4.37Å; V594-K628 HydrophobicContact CG1-CD 4.26Å; V594-K628 WeakPolarHBondContact O-CB 3.41Å; V594-K628 PolarHBondContact O-N 2.6Å; V594-E629 HydrophobicContact CB-CG 3.8Å; V594-E629 HydrophobicContact CG2-CG 3.73Å; V594-E629 PolarHBondContact N-O 2.78Å; V594-E629 PolarHBondContact O-N 2.79Å; V594-K631 HydrophobicContact CG2-CD 4.02Å; V594-T753 HydrophobicContact CG2-CG2 4.11Å
595	I	96.1	Very high	75.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.8	-177.8	72	178.2	0	0	0	111.6	L593 L597 L626 I627 L694 L713 L738 E751 G752 L754	L593-I595 HydrophobicContact CD2-CG2 3.88Å; L593-I595 HydrophobicContact CG-CG2 3.77Å; I595-L597 HydrophobicContact CD1-CD2 3.94Å; I595-L597 HydrophobicContact CD1-CG 4.26Å; I595-L626 CarbonylContact C-O 3.46Å; I595-L626 VanDerWaalsContact CA-O 3.23Å; I595-L626 WeakPolarHBondContact CA-O 3.45Å; I595-L626 WeakPolarHBondContact CB-O 3.48Å; I595-I627 HydrophobicContact CG2-CD1 3.84Å; I595-L694 HydrophobicContact CD1-CD1 3.74Å; I595-L694 HydrophobicContact CG2-CD1 4.1Å; I595-L713 HydrophobicContact CD1-CD1 3.48Å; I595-L713 VanDerWaalsContact CD1-CD1 3.48Å; I595-L738 HydrophobicContact CD1-CD2 3.89Å; I595-L738 HydrophobicContact CG1-CD2 3.77Å; I595-E751 WeakPolarHBondContact O-CA 3.41Å; I595-G752 PolarHBondContact N-O 3Å; I595-G752 PolarHBondContact O-N 2.99Å; I595-G752 VanDerWaalsContact O-O 3.11Å; I595-L754 HydrophobicContact CD1-CD1 3.71Å; I595-L754 HydrophobicContact CG1-CD1 4.18Å
596	S	95.3	Very high	75.7	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.4	167.3	-36.6	0	0	0	0	109.4	L626 K628 W749 A750 E751	S596-L626 PolarHBondContact N-O 3.34Å; S596-L626 PolarHBondContact O-N 2.96Å; S596-K628 WeakPolarHBondContact OG-CD 3.4Å; S596-W749 WeakPolarHBondContact O-CZ3 3.26Å; S596-A750 CarbonylContact C-O 3.55Å; S596-A750 WeakPolarHBondContact CA-O 3.38Å; S596-E751 PolarHBondContact OG-OE2 2.85Å
597	L	95	Very high	75.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.9	176.4	-59.4	-173.7	0	0	0	110.3	I595 V625 L692 L713 L738 W739 M742 A750	I595-L597 HydrophobicContact CD1-CD2 3.94Å; I595-L597 HydrophobicContact CD1-CG 4.26Å; L597-V625 HydrophobicContact CD2-CB 4.2Å; L597-V625 HydrophobicContact CD2-CG1 3.79Å; L597-V625 HydrophobicContact CD2-CG2 3.95Å; L597-L692 HydrophobicContact CD2-CD2 3.98Å; L597-L713 HydrophobicContact CD1-CD1 4.49Å; L597-L738 HydrophobicContact CD1-CD2 4.18Å; L597-L738 HydrophobicContact CD1-CG 3.96Å; L597-L738 HydrophobicContact CG-CD2 4.28Å; L597-L738 HydrophobicContact CG-CG 4.29Å; L597-W739 HydrophobicContact CD1-CE3 3.85Å; L597-W739 HydrophobicContact CD1-CZ3 4.37Å; L597-M742 HydrophobicContact CB-CB 3.95Å; L597-M742 HydrophobicContact CB-CG 3.89Å; L597-M742 HydrophobicContact CB-SD 3.7Å; L597-M742 HydrophobicContact CD1-SD 4.11Å; L597-M742 HydrophobicContact CG-SD 4.47Å; L597-A750 PolarHBondContact N-O 2.94Å; L597-A750 PolarHBondContact O-N 2.69Å
598	K	94	Very high	75.5	Confident	42 Å²	42	57.2 Å²	57.2	18%	0.183	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	127.5	173.3	166.3	163.7	166.5	153.2	0	110.1	V600 H624 D747 S748 W749	K598-V600 HydrophobicContact CD-CG2 4.42Å; K598-V600 HydrophobicContact CG-CG2 4.17Å; K598-H624 HydrophobicContact CB-CB 4.32Å; K598-H624 PolarHBondContact N-O 2.96Å; K598-H624 PolarHBondContact O-N 3.16Å; K598-D747 WeakPolarHBondContact CE-O 3.31Å; K598-D747 PolarHBondContact NZ-O 2.85Å; K598-S748 VanDerWaalsContact CB-O 3.25Å; K598-S748 WeakPolarHBondContact CB-O 3.46Å; K598-S748 VanDerWaalsContact CG-O 3.28Å; K598-S748 WeakPolarHBondContact CG-O 3.26Å; K598-W749 HydrophobicContact CB-CD2 3.67Å; K598-W749 HydrophobicContact CB-CE3 3.37Å; K598-W749 HydrophobicContact CB-CG 4.31Å; K598-W749 HydrophobicContact CB-CH2 4.21Å; K598-W749 HydrophobicContact CB-CZ2 4.45Å; K598-W749 HydrophobicContact CB-CZ3 3.66Å; K598-W749 HydrophobicContact CD-CD2 3.94Å; K598-W749 HydrophobicContact CD-CE3 4.47Å; K598-W749 HydrophobicContact CD-CG 4.2Å; K598-W749 HydrophobicContact CD-CZ2 4.24Å; K598-W749 HydrophobicContact CG-CD2 4.45Å
599	Y	91.6	Very high	75.2	Confident	5 Å²	5	61.6 Å²	61.6	2%	0.02	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.7	165.7	176.9	-96.5	0	0	0	109.3	T601 E622 L682 L684 L687 P746 D747	Y599-T601 HydrophobicContact CD1-CG2 4.21Å; Y599-T601 HydrophobicContact CE1-CG2 3.91Å; Y599-E622 CarbonylContact C-O 3.58Å; Y599-E622 WeakPolarHBondContact CA-O 3.43Å; Y599-L682 HydrophobicContact CE2-CB 4.4Å; Y599-L682 PolarHBondContact OH-O 3.2Å; Y599-L682 VanDerWaalsContact OH-O 3.05Å; Y599-L684 HydrophobicContact CD1-CD2 3.5Å; Y599-L684 VanDerWaalsContact CD1-CD2 3.5Å; Y599-L684 HydrophobicContact CD1-CG 4.11Å; Y599-L684 HydrophobicContact CE1-CD1 4.17Å; Y599-L684 HydrophobicContact CE1-CD2 3.44Å; Y599-L684 VanDerWaalsContact CE1-CD2 3.44Å; Y599-L684 HydrophobicContact CE1-CG 3.52Å; Y599-L684 HydrophobicContact CE2-CD2 4.47Å; Y599-L684 HydrophobicContact CG-CD2 4.04Å; Y599-L687 HydrophobicContact CD2-CD2 3.58Å; Y599-L687 HydrophobicContact CE2-CD2 4.2Å; Y599-L687 HydrophobicContact CG-CD2 3.97Å; Y599-P746 HydrophobicContact CD1-CB 4.31Å; Y599-D747 PolarHBondContact O-N 2.68Å
600	V	90.3	Very high	74.3	Confident	28 Å²	28	65 Å²	65	17%	0.17	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	122.6	175.8	176.1	0	0	0	0	108.6	K598 G621 E622 D747	K598-V600 HydrophobicContact CD-CG2 4.42Å; K598-V600 HydrophobicContact CG-CG2 4.17Å; V600-G621 WeakPolarHBondContact O-CA 3.42Å; V600-E622 HydrophobicContact CB-CB 4.33Å; V600-E622 PolarHBondContact N-O 2.92Å; V600-E622 PolarHBondContact O-N 2.97Å; V600-D747 WeakPolarHBondContact CA-OD1 3.37Å
601	T	85.8	Confident	73	Confident	49 Å²	49	74.3 Å²	74.3	30%	0.301	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-74.8	147.8	175.8	57.5	0	0	0	0	111.7	Y599 K603 P746 D747	Y599-T601 HydrophobicContact CD1-CG2 4.21Å; Y599-T601 HydrophobicContact CE1-CG2 3.91Å; T601-K603 PolarHBondContact O-N 2.99Å; T601-P746 HydrophobicContact CG2-CB 3.67Å; T601-P746 HydrophobicContact CG2-CG 4.41Å; T601-D747 WeakPolarHBondContact CB-OD2 3.21Å; T601-D747 PolarHBondContact N-OD2 3.38Å; T601-D747 PolarHBondContact OG1-OD2 2.66Å
602	P	80.6	Confident	71.4	Confident	37 Å²	37	77.5 Å²	77.5	24%	0.24	44%	0.437	C	S	.	.			trans	-62.5	111.4	171.2	26.1	-33.6	0	0	0	109.4	K604 E619	P602-K604 PolarHBondContact O-N 3.3Å; P602-E619 HydrophobicContact CB-CB 4.37Å; P602-E619 HydrophobicContact CG-CB 3.77Å
603	K	69.3	Low	69.8	Low	178 Å²	178	85.6 Å²	85.6	77%	0.774	47%	0.471	S	S	*	.			trans	-61.8	108.4	179.9	-68.3	-176.3	179.8	179.8	0	110	T601 T605	T601-K603 PolarHBondContact O-N 2.99Å; K603-T605 PolarHBondContact O-N 2.92Å
604	K	59.3	Low	67.6	Low	151 Å²	151	95.4 Å²	95.4	66%	0.657	51%	0.514	S	S	*	.			trans	-62.2	97.3	172.2	-65.1	178.8	-170.3	-79.5	0	109.2	P602 T606 E619	P602-K604 PolarHBondContact O-N 3.3Å; K604-T606 PolarHBondContact O-N 3.4Å; K604-E619 IonicContact NZ-OE1 2.72Å; K604-E619 PolarHBondContact NZ-OE1 2.9Å; K604-E619 IonicContact NZ-OE2 3.79Å; K604-E619 PolarHBondContact NZ-OE2 3.25Å
605	T	48.4	Very low	65.4	Low	131 Å²	131	99.5 Å²	99.5	80%	0.804	55%	0.548	S	S	*	.			trans	-65.4	124.1	174	38.6	0	0	0	0	109.4	K603 A607	K603-T605 PolarHBondContact O-N 2.92Å; T605-A607 PolarHBondContact O-N 3.4Å
606	T	45.6	Very low	63.2	Low	140 Å²	140	104.9 Å²	104.9	86%	0.859	58%	0.583	S	S	*	*			trans	-58.6	128.9	-178.6	44.8	0	0	0	0	110.8	K604 A608	K604-T606 PolarHBondContact O-N 3.4Å; T606-A608 PolarHBondContact O-N 3.4Å
607	A	46.6	Very low	61	Low	93 Å²	93	110.2 Å²	110.2	77%	0.769	62%	0.617	S	S	*	*			trans	-66.4	111.4	-159.3	0	0	0	0	0	115	T605 K609	T605-A607 PolarHBondContact O-N 3.4Å; A607-K609 PolarHBondContact O-N 2.91Å
608	A	41.4	Very low	59.2	Low	93 Å²	93	116.3 Å²	116.3	77%	0.769	65%	0.654	S	S	*	*			trans	-76.7	108.5	153.7	0	0	0	0	0	108.8	T606 V610	T606-A608 PolarHBondContact O-N 3.4Å; A608-V610 PolarHBondContact O-N 3.09Å; A608-V610 VanDerWaalsContact O-N 3.14Å
609	K	48.8	Very low	57.8	Low	204 Å²	204	119.2 Å²	119.2	89%	0.887	67%	0.668	S	S	*	*			trans	-69.3	107.4	-179	-73.5	-179.6	179.4	174	0	111.4	A607	A607-K609 PolarHBondContact O-N 2.91Å
610	V	44.3	Very low	56.9	Low	136 Å²	136	121.1 Å²	121.1	82%	0.824	68%	0.683	S	S	*	*			trans	-121.6	125.3	161.3	-177.2	0	0	0	0	108.8	A608 G612	A608-V610 PolarHBondContact O-N 3.09Å; A608-V610 VanDerWaalsContact O-N 3.14Å; V610-G612 PolarHBondContact O-N 3.3Å
611	K	46.2	Very low	56.6	Low	218 Å²	218	119.9 Å²	119.9	95%	0.948	68%	0.675	S	S	*	*			trans	-73.2	118.8	176.5	-78.9	-179.1	174.1	177.8	0	110
612	G	48.6	Very low	56.8	Low	68 Å²	68	119.9 Å²	119.9	70%	0.701	67%	0.672	S	S	*	*			trans	-169	126.8	168.7	0	0	0	0	0	111.9	V610 K614	V610-G612 PolarHBondContact O-N 3.3Å; G612-K614 PolarHBondContact O-N 3.05Å
613	K	54.7	Low	57.3	Low	220 Å²	220	118.1 Å²	118.1	96%	0.957	66%	0.661	S	S	*	*			trans	-71.9	105.9	176.7	-72.6	-176.6	178.1	-178.9	0	110.4
614	K	46	Very low	58.5	Low	206 Å²	206	111.4 Å²	111.4	90%	0.896	63%	0.632	S	S	*	*			trans	-138.2	168.2	156.8	-75	-163.6	175.4	-177.1	0	109.7	G612	G612-K614 PolarHBondContact O-N 3.05Å
615	A	46.5	Very low	60.2	Low	88 Å²	88	104.2 Å²	104.2	73%	0.727	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-54.8	154.1	-176.2	0	0	0	0	0	112.8
616	P	48.7	Very low	62.4	Low	113 Å²	113	99.7 Å²	99.7	73%	0.734	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-56.4	139.5	175.9	24.7	-34.9	0	0	0	110.7	V618	P616-V618 PolarHBondContact O-N 3.45Å
617	P	50.2	Low	64.8	Low	114 Å²	114	93 Å²	93	74%	0.74	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-64.3	126.9	173.6	28.2	-33.2	0	0	0	108.7	E619	P617-E619 PolarHBondContact O-N 3.46Å; P617-E619 VanDerWaalsContact O-N 3.12Å
618	V	57.4	Low	67	Low	129 Å²	129	91.1 Å²	91.1	78%	0.782	51%	0.505	S	S	*	.			trans	-69.7	109.3	170.7	-177.7	0	0	0	0	106.8	P616 S620	P616-V618 PolarHBondContact O-N 3.45Å; V618-S620 PolarHBondContact O-N 2.88Å
619	E	63.4	Low	69.2	Low	102 Å²	102	88.4 Å²	88.4	48%	0.477	48%	0.476	S	S	.	.			trans	-71.5	78.8	175.6	-68.7	-161.4	153.5	0	0	109.5	P602 K604 P617	P602-E619 HydrophobicContact CB-CB 4.37Å; P602-E619 HydrophobicContact CG-CB 3.77Å; K604-E619 IonicContact NZ-OE1 2.72Å; K604-E619 PolarHBondContact NZ-OE1 2.9Å; K604-E619 IonicContact NZ-OE2 3.79Å; K604-E619 PolarHBondContact NZ-OE2 3.25Å; P617-E619 PolarHBondContact O-N 3.46Å; P617-E619 VanDerWaalsContact O-N 3.12Å
620	S	71.9	Confident	71.2	Confident	46 Å²	46	78.7 Å²	78.7	32%	0.322	43%	0.434	S	S	.	.			trans	-99.3	120.3	-176.7	72.3	0	0	0	0	112.2	V618	V618-S620 PolarHBondContact O-N 2.88Å
621	G	85.4	Confident	73	Confident	2 Å²	2	75.4 Å²	75.4	2%	0.021	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-172.8	173.2	0	0	0	0	0	113.8	V600 E681 L682	V600-G621 WeakPolarHBondContact O-CA 3.42Å; G621-E681 PolarHBondContact O-N 2.77Å; G621-L682 WeakPolarHBondContact CA-O 3.49Å; G621-L682 PolarHBondContact N-O 3.47Å; G621-L682 PolarHBondContact O-N 3.31Å; G621-L682 VanDerWaalsContact O-N 3.16Å
622	E	90.6	Very high	74.5	Confident	49 Å²	49	68.9 Å²	68.9	23%	0.229	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.5	177.5	-54.4	-172.5	153.3	0	0	111	Y599 V600 H624 V678 Y679 K680	Y599-E622 CarbonylContact C-O 3.58Å; Y599-E622 WeakPolarHBondContact CA-O 3.43Å; V600-E622 HydrophobicContact CB-CB 4.33Å; V600-E622 PolarHBondContact N-O 2.92Å; V600-E622 PolarHBondContact O-N 2.97Å; E622-H624 IonicContact OE2-CD2 2.72Å; E622-H624 IonicContact OE2-CE1 2.66Å; E622-H624 IonicContact OE2-NE2 2.65Å; E622-H624 PolarHBondContact OE2-NE2 3.23Å; E622-V678 HydrophobicContact CB-CG1 4.46Å; E622-Y679 CarbonylContact C-O 3.41Å; E622-Y679 VanDerWaalsContact CA-O 3.29Å; E622-Y679 WeakPolarHBondContact CA-O 3.28Å; E622-K680 HydrophobicContact CG-CG 4.24Å; E622-K680 IonicContact OE1-NZ 3.12Å; E622-K680 PolarHBondContact OE1-NZ 3.28Å
623	L	90.8	Very high	76	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.2	166.9	169.8	66.5	0	0	0	109.5	V625 L650 Y679 L682 L687 W739 M742	L623-V625 HydrophobicContact CD1-CG2 4.13Å; L623-V625 HydrophobicContact CD2-CG2 4.13Å; L623-V625 HydrophobicContact CG-CG2 3.85Å; L623-L650 HydrophobicContact CD2-CD1 4.06Å; L623-L650 HydrophobicContact CD2-CD2 4.24Å; L623-Y679 HydrophobicContact CD2-CD2 4.22Å; L623-Y679 HydrophobicContact CG-CD2 4.34Å; L623-Y679 PolarHBondContact N-O 3.12Å; L623-Y679 PolarHBondContact O-N 3.39Å; L623-L682 HydrophobicContact CB-CD1 3.61Å; L623-L682 HydrophobicContact CD2-CD1 4.45Å; L623-L687 HydrophobicContact CD2-CD1 4.11Å; L623-W739 HydrophobicContact CD2-CH2 3.92Å; L623-W739 HydrophobicContact CD2-CZ3 4.22Å; L623-M742 HydrophobicContact CD1-CE 4.33Å; L623-M742 HydrophobicContact CD1-SD 3.3Å; L623-M742 WeakPolarHBondContact CD1-SD 3.27Å
624	H	92.9	Very high	76.7	Confident	37 Å²	37	56.8 Å²	56.8	17%	0.171	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.8	174.7	-71.7	-126	0	0	0	109	K598 E622 T676 W749	K598-H624 HydrophobicContact CB-CB 4.32Å; K598-H624 PolarHBondContact N-O 2.96Å; K598-H624 PolarHBondContact O-N 3.16Å; E622-H624 IonicContact OE2-CD2 2.72Å; E622-H624 IonicContact OE2-CE1 2.66Å; E622-H624 IonicContact OE2-NE2 2.65Å; E622-H624 PolarHBondContact OE2-NE2 3.23Å; H624-T676 HydrophobicContact CB-CG2 4.35Å; H624-W749 HydrophobicContact CB-CH2 3.87Å; H624-W749 HydrophobicContact CB-CZ3 4.2Å
625	V	95.4	Very high	77.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	99.3	-178.1	-177.9	0	0	0	0	108	L597 L623 I627 T676 F677 Y679 L692 L694	L597-V625 HydrophobicContact CD2-CB 4.2Å; L597-V625 HydrophobicContact CD2-CG1 3.79Å; L597-V625 HydrophobicContact CD2-CG2 3.95Å; L623-V625 HydrophobicContact CD1-CG2 4.13Å; L623-V625 HydrophobicContact CD2-CG2 4.13Å; L623-V625 HydrophobicContact CG-CG2 3.85Å; V625-I627 HydrophobicContact CG1-CD1 3.83Å; V625-I627 PolarHBondContact O-N 2.95Å; V625-T676 CarbonylContact O-C 3.59Å; V625-T676 WeakPolarHBondContact O-CA 3.49Å; V625-F677 HydrophobicContact CB-CB 4.23Å; V625-F677 PolarHBondContact N-O 2.99Å; V625-F677 PolarHBondContact O-N 3.36Å; V625-Y679 HydrophobicContact CG2-CD2 4.27Å; V625-Y679 HydrophobicContact CG2-CE2 4.09Å; V625-L692 HydrophobicContact CB-CD2 4.45Å; V625-L692 HydrophobicContact CG1-CD2 3.96Å; V625-L692 HydrophobicContact CG2-CD1 4.42Å; V625-L692 HydrophobicContact CG2-CD2 3.62Å; V625-L694 HydrophobicContact CG1-CD1 4.32Å; V625-L694 HydrophobicContact CG1-CD2 4.43Å
626	L	95.2	Very high	77.9	Confident	35 Å²	35	47 Å²	47	18%	0.183	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.3	174.5	174.5	61.7	0	0	0	109.4	I595 S596 K628 W749	I595-L626 CarbonylContact C-O 3.46Å; I595-L626 VanDerWaalsContact CA-O 3.23Å; I595-L626 WeakPolarHBondContact CA-O 3.45Å; I595-L626 WeakPolarHBondContact CB-O 3.48Å; S596-L626 PolarHBondContact N-O 3.34Å; S596-L626 PolarHBondContact O-N 2.96Å; L626-K628 HydrophobicContact CD2-CD 4.32Å; L626-K628 HydrophobicContact CD2-CG 3.81Å; L626-K628 HydrophobicContact CG-CG 3.78Å; L626-K628 PolarHBondContact O-N 2.68Å; L626-W749 HydrophobicContact CB-CH2 4.05Å; L626-W749 HydrophobicContact CB-CZ3 3.87Å
627	I	96.1	Very high	78.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	102.5	168.2	-49.6	-57.9	0	0	0	107.2	L593 I595 V625 V646 T662 Y673 N674 S675 F677 L694	L593-I627 HydrophobicContact CD1-CG2 4.2Å; I595-I627 HydrophobicContact CG2-CD1 3.84Å; V625-I627 HydrophobicContact CG1-CD1 3.83Å; V625-I627 PolarHBondContact O-N 2.95Å; I627-V646 HydrophobicContact CG2-CB 4.36Å; I627-V646 HydrophobicContact CG2-CG2 3.94Å; I627-T662 HydrophobicContact CB-CG2 4.33Å; I627-T662 HydrophobicContact CG1-CG2 4.41Å; I627-T662 HydrophobicContact CG2-CG2 4.31Å; I627-Y673 HydrophobicContact CG2-CD2 3.7Å; I627-Y673 HydrophobicContact CG2-CE2 4.46Å; I627-Y673 HydrophobicContact CG2-CG 4.2Å; I627-N674 CarbonylContact O-C 3.55Å; I627-N674 VanDerWaalsContact O-CA 3.27Å; I627-N674 WeakPolarHBondContact O-CA 3.45Å; I627-N674 PolarHBondContact O-N 3.49Å; I627-S675 PolarHBondContact N-O 3.5Å; I627-S675 PolarHBondContact O-N 2.71Å; I627-F677 HydrophobicContact CD1-CD2 4.48Å; I627-F677 HydrophobicContact CD1-CE2 4.27Å; I627-F677 HydrophobicContact CG1-CD2 4.25Å; I627-F677 HydrophobicContact CG1-CE2 3.92Å; I627-F677 HydrophobicContact CG1-CZ 4.08Å; I627-L694 HydrophobicContact CD1-CD1 3.76Å; I627-L694 HydrophobicContact CD1-CD2 4.08Å
628	K	91.8	Very high	77.8	Confident	53 Å²	53	40.3 Å²	40.3	23%	0.23	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-67.2	-177	-64.4	-179.7	62.6	175.5	0	110.4	V594 S596 L626 Y673 N674 E751	V594-K628 HydrophobicContact CB-CB 4.46Å; V594-K628 HydrophobicContact CG1-CB 4.37Å; V594-K628 HydrophobicContact CG1-CD 4.26Å; V594-K628 WeakPolarHBondContact O-CB 3.41Å; V594-K628 PolarHBondContact O-N 2.6Å; S596-K628 WeakPolarHBondContact OG-CD 3.4Å; L626-K628 HydrophobicContact CD2-CD 4.32Å; L626-K628 HydrophobicContact CD2-CG 3.81Å; L626-K628 HydrophobicContact CG-CG 3.78Å; L626-K628 PolarHBondContact O-N 2.68Å; K628-Y673 PolarHBondContact O-N 2.85Å; K628-N674 PolarHBondContact O-N 3.42Å; K628-N674 PolarHBondContact O-OD1 2.94Å; K628-E751 WeakPolarHBondContact CD-OE2 3.44Å; K628-E751 IonicContact NZ-OE1 3.58Å; K628-E751 PolarHBondContact NZ-OE1 2.77Å; K628-E751 IonicContact NZ-OE2 2.67Å; K628-E751 PolarHBondContact NZ-OE2 3.26Å
629	E	89.4	Confident	77.4	Confident	36 Å²	36	37.2 Å²	37.2	17%	0.168	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	160.5	-173.8	60.9	-174	-177.7	0	0	110.9	V594 K631 P671 Q672	V594-E629 HydrophobicContact CB-CG 3.8Å; V594-E629 HydrophobicContact CG2-CG 3.73Å; V594-E629 PolarHBondContact N-O 2.78Å; V594-E629 PolarHBondContact O-N 2.79Å; E629-K631 WeakPolarHBondContact OE1-CE 3.42Å; E629-K631 IonicContact OE1-NZ 3.08Å; E629-K631 PolarHBondContact OE1-NZ 3Å; E629-P671 CarbonylContact C-O 3.52Å; E629-P671 WeakPolarHBondContact CA-O 3.28Å; E629-P671 WeakPolarHBondContact CB-O 3.28Å; E629-Q672 HydrophobicContact CB-CB 4.38Å; E629-Q672 HydrophobicContact CB-CG 3.93Å; E629-Q672 PolarHBondContact OE2-NE2 3.42Å
630	A	89.7	Confident	77.2	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	154.9	160.8	0	0	0	0	0	110	E592 L593 L633 N670 P671 Y673	E592-A630 CarbonylContact O-C 3.58Å; E592-A630 WeakPolarHBondContact O-CA 3.11Å; E592-A630 WeakPolarHBondContact O-CB 3.17Å; L593-A630 HydrophobicContact CD1-CB 3.94Å; A630-L633 HydrophobicContact CB-CD1 3.93Å; A630-L633 HydrophobicContact CB-CD2 3.79Å; A630-L633 HydrophobicContact CB-CG 3.81Å; A630-N670 CarbonylContact O-C 3.36Å; A630-N670 VanDerWaalsContact O-CA 3.23Å; A630-N670 WeakPolarHBondContact O-CA 3.5Å; A630-P671 HydrophobicContact CB-CG 3.88Å; A630-P671 PolarHBondContact N-O 3.06Å; A630-P671 WeakPolarHBondContact O-CD 3.34Å; A630-Y673 HydrophobicContact CB-CE2 4.03Å
631	K	82.1	Confident	76.9	Confident	67 Å²	67	34.4 Å²	34.4	29%	0.291	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	145.4	-178.3	-73.8	171.1	176.4	151.4	0	110.7	G591 E592 V594 E629 L633 N670	G591-K631 CarbonylContact C-O 3.5Å; G591-K631 WeakPolarHBondContact CA-O 3.31Å; E592-K631 HydrophobicContact CB-CB 4.34Å; E592-K631 PolarHBondContact N-O 3.28Å; E592-K631 PolarHBondContact O-N 2.64Å; V594-K631 HydrophobicContact CG2-CD 4.02Å; E629-K631 WeakPolarHBondContact OE1-CE 3.42Å; E629-K631 IonicContact OE1-NZ 3.08Å; E629-K631 PolarHBondContact OE1-NZ 3Å; K631-L633 PolarHBondContact O-N 3.31Å; K631-L633 VanDerWaalsContact O-N 3.09Å; K631-N670 WeakPolarHBondContact CA-OD1 3.42Å
632	N	78.3	Confident	76.5	Confident	82 Å²	82	34.3 Å²	34.3	44%	0.439	21%	0.207	S	C	.	.	S	Bend	trans	50.6	34.4	174.5	-56.7	-40.5	0	0	0	114.1	Y589 G591 M634 L669 N670	Y589-N632 HydrophobicContact CE1-CB 3.85Å; Y589-N632 WeakPolarHBondContact OH-CB 3.33Å; Y589-N632 PolarHBondContact OH-ND2 2.93Å; G591-N632 WeakPolarHBondContact CA-O 3.44Å; N632-M634 PolarHBondContact O-N 3.39Å; N632-L669 PolarHBondContact N-O 2.91Å; N632-N670 PolarHBondContact N-OD1 2.99Å
633	L	79.6	Confident	76.3	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.016	20%	0.204	C	C	.	.			trans	-57.1	136.4	-179.4	-71.6	-175.1	0	0	0	110.8	A630 K631 A635 L669 P671 V696 L708 L756	A630-L633 HydrophobicContact CB-CD1 3.93Å; A630-L633 HydrophobicContact CB-CD2 3.79Å; A630-L633 HydrophobicContact CB-CG 3.81Å; K631-L633 PolarHBondContact O-N 3.31Å; K631-L633 VanDerWaalsContact O-N 3.09Å; L633-A635 PolarHBondContact O-N 3.02Å; L633-A635 VanDerWaalsContact O-N 3.08Å; L633-L669 WeakPolarHBondContact CB-O 3.43Å; L633-L669 PolarHBondContact N-O 2.86Å; L633-P671 HydrophobicContact CD1-CG 3.6Å; L633-P671 HydrophobicContact CG-CG 4.5Å; L633-V696 HydrophobicContact CD1-CG1 4.12Å; L633-V696 HydrophobicContact CD2-CG1 4.25Å; L633-L708 HydrophobicContact CD1-CD1 4.12Å; L633-L756 HydrophobicContact CD2-CD1 3.42Å; L633-L756 VanDerWaalsContact CD2-CD1 3.42Å
634	M	68.6	Low	76.2	Confident	31 Å²	31	33.6 Å²	33.6	15%	0.153	20%	0.204	C	C	.	.			trans	-63.4	111.9	175.7	-92.2	-166.4	51.4	0	0	111.6	P496 K590 N632 M636	P496-M634 HydrophobicContact CB-CE 3.65Å; P496-M634 HydrophobicContact CB-SD 3.82Å; P496-M634 HydrophobicContact CG-CE 3.97Å; P496-M634 HydrophobicContact CG-CG 4.22Å; P496-M634 HydrophobicContact CG-SD 3.8Å; K590-M634 HydrophobicContact CD-CB 4.48Å; K590-M634 HydrophobicContact CD-CG 4.24Å; K590-M634 HydrophobicContact CD-SD 3.49Å; K590-M634 WeakPolarHBondContact CD-SD 3.5Å; K590-M634 PolarHBondContact O-N 3.05Å; N632-M634 PolarHBondContact O-N 3.39Å; M634-M636 HydrophobicContact CE-CE 4.34Å; M634-M636 PolarHBondContact O-N 3.46Å
635	A	61.8	Low	76.2	Confident	30 Å²	30	32 Å²	32	25%	0.248	20%	0.197	C	C	.	.			trans	-65	99.5	165.3	0	0	0	0	0	110.5	L633 L669	L633-A635 PolarHBondContact O-N 3.02Å; L633-A635 VanDerWaalsContact O-N 3.08Å; A635-L669 HydrophobicContact CB-CD1 3.94Å; A635-L669 HydrophobicContact CB-CD2 3.74Å; A635-L669 HydrophobicContact CB-CG 4.49Å
636	M	57	Low	76.1	Confident	57 Å²	57	32 Å²	32	28%	0.281	20%	0.197	S	C	.	.			trans	-80.9	-27.1	171.1	-66.1	179.4	171.5	0	0	111.6	M634 E706 L708	M634-M636 HydrophobicContact CE-CE 4.34Å; M634-M636 PolarHBondContact O-N 3.46Å; M636-E706 WeakPolarHBondContact CB-OE2 3.39Å; M636-E706 HydrophobicContact SD-CG 3.65Å; M636-L708 HydrophobicContact CE-CD2 4.38Å; M636-L708 HydrophobicContact CG-CD2 4.12Å; M636-L708 HydrophobicContact SD-CD2 3.78Å
637	K	55.2	Low	76	Confident	43 Å²	43	32 Å²	32	19%	0.187	20%	0.195	C	C	.	.	S	Bend	trans	-68.1	131.5	171.7	-70.4	170.9	174	164.5	0	111.4	G639 G640 T641 D643 D698 R699	K637-G639 PolarHBondContact O-N 2.99Å; K637-G640 PolarHBondContact O-N 3.31Å; K637-T641 WeakPolarHBondContact CB-O 3.32Å; K637-T641 WeakPolarHBondContact CD-O 3.16Å; K637-D643 IonicContact NZ-OD2 2.74Å; K637-D643 PolarHBondContact NZ-OD2 2.87Å; K637-D698 WeakPolarHBondContact CD-OD2 3.27Å; K637-D698 WeakPolarHBondContact CE-OD1 3.22Å; K637-D698 WeakPolarHBondContact CE-OD2 3.39Å; K637-D698 VanDerWaalsContact NZ-CG 3.34Å; K637-D698 IonicContact NZ-OD1 2.66Å; K637-D698 PolarHBondContact NZ-OD1 3.28Å; K637-D698 IonicContact NZ-OD2 2.61Å; K637-R699 PolarHBondContact NZ-O 3.47Å
638	A	42.1	Very low	75.7	Confident	45 Å²	45	32 Å²	32	37%	0.372	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-2.5	-176.8	0	0	0	0	0	115.8	Q501	Q501-A638 HydrophobicContact CB-CB 4.5Å; Q501-A638 VanDerWaalsContact CD-O 3.22Å; Q501-A638 HydrophobicContact CG-CB 4.05Å; Q501-A638 PolarHBondContact NE2-O 3.36Å; Q501-A638 PolarHBondContact OE1-O 3.48Å
639	G	47.7	Very low	75.5	Confident	63 Å²	63	32.1 Å²	32.1	65%	0.649	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	8.7	172.4	0	0	0	0	0	114.7	K637 T641	K637-G639 PolarHBondContact O-N 2.99Å; G639-T641 PolarHBondContact O-N 3.35Å
640	G	58.8	Low	75.4	Confident	41 Å²	41	30.6 Å²	30.6	42%	0.423	19%	0.188	S	C	.	.	S	Bend	trans	74.7	16.9	173.6	0	0	0	0	0	115.9	K637 L669	K637-G640 PolarHBondContact O-N 3.31Å; G640-L669 WeakPolarHBondContact O-CD1 3.4Å
641	T	66.5	Low	75.1	Confident	49 Å²	49	32.2 Å²	32.2	30%	0.301	20%	0.195	S	C	.	.			trans	-140.1	148.4	-177.8	62	0	0	0	0	111.2	K637 G639 K667	K637-T641 WeakPolarHBondContact CB-O 3.32Å; K637-T641 WeakPolarHBondContact CD-O 3.16Å; G639-T641 PolarHBondContact O-N 3.35Å; T641-K667 HydrophobicContact CG2-CB 4.35Å
642	S	77.5	Confident	74.5	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.201	C	C	.	.			trans	-119.4	149.3	-178.8	-173.2	0	0	0	0	112.3	K667 N668 D698	S642-K667 CarbonylContact O-C 3.18Å; S642-K667 WeakPolarHBondContact O-CA 3.26Å; S642-K667 PolarHBondContact O-N 2.8Å; S642-N668 PolarHBondContact O-N 3.35Å; S642-D698 WeakPolarHBondContact CA-OD2 3.48Å; S642-D698 WeakPolarHBondContact CB-OD2 3.49Å; S642-D698 PolarHBondContact OG-OD1 3.19Å; S642-D698 PolarHBondContact OG-OD2 3.21Å
643	D	85.8	Confident	73.8	Confident	33 Å²	33	30.1 Å²	30.1	18%	0.176	19%	0.194	C	C	.	.			trans	-105.8	63	175.6	-60.8	-58.9	0	0	0	110	K637 I664 V665 K666 K667 D698 R699	K637-D643 IonicContact NZ-OD2 2.74Å; K637-D643 PolarHBondContact NZ-OD2 2.87Å; D643-I664 WeakPolarHBondContact O-CG2 3.06Å; D643-V665 CarbonylContact C-O 3.49Å; D643-V665 WeakPolarHBondContact CA-O 3.31Å; D643-K666 HydrophobicContact CB-CG 4.49Å; D643-K666 WeakPolarHBondContact OD1-CA 3.43Å; D643-K666 VanDerWaalsContact OD1-CB 3.28Å; D643-K666 WeakPolarHBondContact OD1-CB 3.44Å; D643-K667 PolarHBondContact OD1-N 3.23Å; D643-D698 WeakPolarHBondContact CA-OD1 3.12Å; D643-D698 PolarHBondContact N-OD1 3.35Å; D643-R699 WeakPolarHBondContact O-CB 3.33Å; D643-R699 PolarHBondContact O-N 3.45Å
644	S	89.3	Confident	72.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	153.5	-162.2	70.9	0	0	0	0	115.9	I664 V665 P671 Y673 W697	S644-I664 CarbonylContact O-C 3.59Å; S644-I664 WeakPolarHBondContact O-CA 3.41Å; S644-V665 PolarHBondContact N-O 3.19Å; S644-V665 PolarHBondContact O-N 3.03Å; S644-P671 WeakPolarHBondContact OG-CB 3.36Å; S644-P671 VanDerWaalsContact OG-CG 3.3Å; S644-P671 WeakPolarHBondContact OG-CG 3.44Å; S644-Y673 VanDerWaalsContact CB-OH 3.3Å; S644-Y673 WeakPolarHBondContact CB-OH 3.19Å; S644-Y673 PolarHBondContact OG-OH 3.16Å; S644-W697 CarbonylContact C-O 3.58Å; S644-W697 WeakPolarHBondContact CA-O 3.13Å
645	F	92.6	Very high	71.8	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	159.2	166.7	64.5	-86.8	0	0	0	111.1	K647 K661 I664 W697 R699 N705	F645-K647 HydrophobicContact CD2-CG 4.36Å; F645-K647 HydrophobicContact CE2-CD 4.07Å; F645-K647 HydrophobicContact CE2-CG 3.98Å; F645-K661 HydrophobicContact CD2-CD 4.33Å; F645-K661 HydrophobicContact CD2-CG 4Å; F645-I664 HydrophobicContact CB-CB 4.49Å; F645-I664 HydrophobicContact CB-CG1 3.89Å; F645-I664 HydrophobicContact CD1-CG1 3.99Å; F645-I664 HydrophobicContact CG-CG1 4.13Å; F645-W697 HydrophobicContact CD1-CB 4.26Å; F645-W697 HydrophobicContact CD2-CB 4.28Å; F645-W697 HydrophobicContact CE1-CB 3.72Å; F645-W697 HydrophobicContact CE2-CB 3.73Å; F645-W697 HydrophobicContact CE2-CG 4.05Å; F645-W697 HydrophobicContact CZ-CB 3.43Å; F645-W697 VanDerWaalsContact CZ-CB 3.43Å; F645-W697 HydrophobicContact CZ-CG 4.05Å; F645-W697 PolarHBondContact N-O 2.93Å; F645-W697 PolarHBondContact O-N 2.99Å; F645-R699 HydrophobicContact CD1-CB 4.03Å; F645-R699 HydrophobicContact CE1-CB 3.85Å; F645-N705 HydrophobicContact CZ-CB 4.34Å
646	V	93.5	Very high	71.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.2	177.5	-167.9	0	0	0	0	110.6	L593 I627 K661 T662 Y673 L694 T695 V696	L593-V646 HydrophobicContact CD1-CG2 4.18Å; L593-V646 HydrophobicContact CD2-CG1 4.47Å; I627-V646 HydrophobicContact CG2-CB 4.36Å; I627-V646 HydrophobicContact CG2-CG2 3.94Å; V646-K661 CarbonylContact O-C 3.52Å; V646-K661 VanDerWaalsContact O-CA 3.27Å; V646-K661 WeakPolarHBondContact O-CA 3.27Å; V646-T662 HydrophobicContact CB-CG2 3.88Å; V646-T662 HydrophobicContact CG2-CG2 4.35Å; V646-T662 PolarHBondContact N-OG1 2.61Å; V646-T662 PolarHBondContact O-N 3.01Å; V646-Y673 HydrophobicContact CG2-CD2 3.94Å; V646-Y673 HydrophobicContact CG2-CE1 4.26Å; V646-Y673 HydrophobicContact CG2-CE2 3.49Å; V646-Y673 VanDerWaalsContact CG2-CE2 3.49Å; V646-Y673 HydrophobicContact CG2-CG 4.46Å; V646-L694 HydrophobicContact CG1-CB 4.44Å; V646-T695 CarbonylContact C-O 3.54Å; V646-T695 WeakPolarHBondContact CA-O 3.29Å; V646-T695 WeakPolarHBondContact CG1-O 3.24Å; V646-V696 HydrophobicContact CG1-CG2 4.49Å; V646-V696 HydrophobicContact CG2-CG1 4.38Å; V646-V696 HydrophobicContact CG2-CG2 4.16Å
647	K	91.9	Very high	71.4	Confident	34 Å²	34	49.2 Å²	49.2	15%	0.148	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	133.5	167.9	-77.3	166.5	169	168.6	0	109.4	F645 Y649 R660 K661 L694 T695	F645-K647 HydrophobicContact CD2-CG 4.36Å; F645-K647 HydrophobicContact CE2-CD 4.07Å; F645-K647 HydrophobicContact CE2-CG 3.98Å; K647-Y649 HydrophobicContact CB-CE2 3.85Å; K647-Y649 HydrophobicContact CD-CE2 4.49Å; K647-R660 CarbonylContact C-O 3.57Å; K647-R660 VanDerWaalsContact CA-O 3.31Å; K647-R660 WeakPolarHBondContact CA-O 3.41Å; K647-K661 HydrophobicContact CG-CG 4.22Å; K647-L694 WeakPolarHBondContact O-CA 3.22Å; K647-T695 PolarHBondContact N-O 3.28Å; K647-T695 PolarHBondContact O-N 2.91Å; K647-T695 PolarHBondContact O-OG1 2.62Å
648	G	90.6	Very high	72	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.8	175.9	0	0	0	0	0	112.5	R660 Y679 E693	G648-R660 PolarHBondContact N-O 3.44Å; G648-R660 PolarHBondContact O-N 3.02Å; G648-Y679 PolarHBondContact O-OH 3.47Å; G648-E693 CarbonylContact C-O 3.5Å; G648-E693 WeakPolarHBondContact CA-O 3.16Å
649	Y	88.1	Confident	73.9	Confident	57 Å²	57	50.9 Å²	50.9	22%	0.224	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.4	178.9	-61	-90.1	0	0	0	109.7	K647 F651 K659 E693	K647-Y649 HydrophobicContact CB-CE2 3.85Å; K647-Y649 HydrophobicContact CD-CE2 4.49Å; Y649-F651 HydrophobicContact CG-CZ 4.32Å; Y649-K659 HydrophobicContact CD1-CB 4.24Å; Y649-K659 HydrophobicContact CE1-CB 3.9Å; Y649-K659 HydrophobicContact CE1-CD 4.36Å; Y649-K659 HydrophobicContact CE1-CG 3.79Å; Y649-E693 PolarHBondContact N-O 2.8Å; Y649-E693 PolarHBondContact O-N 3.03Å
650	L	86.6	Confident	75.7	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.5	175.8	-172.4	67.2	0	0	0	110	L623 S653 T658 Y679 L682 M690 L692 W739	L623-L650 HydrophobicContact CD2-CD1 4.06Å; L623-L650 HydrophobicContact CD2-CD2 4.24Å; L650-S653 VanDerWaalsContact O-CB 3.23Å; L650-S653 WeakPolarHBondContact O-CB 3.26Å; L650-T658 PolarHBondContact O-OG1 3.22Å; L650-Y679 HydrophobicContact CB-CD1 3.75Å; L650-Y679 HydrophobicContact CB-CE1 3.58Å; L650-Y679 HydrophobicContact CB-CG 4.43Å; L650-Y679 HydrophobicContact CD2-CD1 3.68Å; L650-Y679 HydrophobicContact CD2-CD2 4.46Å; L650-Y679 HydrophobicContact CD2-CE1 4.36Å; L650-Y679 HydrophobicContact CD2-CG 3.74Å; L650-Y679 HydrophobicContact CG-CD1 4.38Å; L650-L682 HydrophobicContact CD2-CD1 3.76Å; L650-L682 HydrophobicContact CD2-CD2 4.34Å; L650-M690 HydrophobicContact CD1-CB 4.31Å; L650-M690 HydrophobicContact CD1-SD 4.09Å; L650-M690 HydrophobicContact CD2-CE 3.9Å; L650-M690 HydrophobicContact CD2-SD 3.76Å; L650-M690 HydrophobicContact CG-CE 3.98Å; L650-M690 HydrophobicContact CG-SD 3.91Å; L650-L692 HydrophobicContact CD1-CB 4Å; L650-L692 HydrophobicContact CD1-CD1 4.41Å; L650-W739 HydrophobicContact CD1-CH2 4.35Å
651	F	82.9	Confident	77.2	Confident	34 Å²	34	56 Å²	56	15%	0.149	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153	-179.2	-55.9	-70.9	0	0	0	111	Y649 M690 C691 E693 V720 I722	Y649-F651 HydrophobicContact CG-CZ 4.32Å; F651-M690 CarbonylContact O-C 3.5Å; F651-M690 WeakPolarHBondContact O-CA 3.28Å; F651-M690 WeakPolarHBondContact O-CB 3.45Å; F651-M690 WeakPolarHBondContact O-CG 3.43Å; F651-C691 HydrophobicContact CB-CB 4.4Å; F651-C691 PolarHBondContact N-O 3.36Å; F651-C691 PolarHBondContact O-N 2.91Å; F651-E693 HydrophobicContact CD2-CB 4.45Å; F651-E693 HydrophobicContact CE2-CB 3.97Å; F651-V720 HydrophobicContact CB-CG1 3.81Å; F651-I722 HydrophobicContact CB-CG1 4.46Å; F651-I722 HydrophobicContact CD1-CD1 4.43Å; F651-I722 HydrophobicContact CD1-CG1 4.1Å; F651-I722 HydrophobicContact CD1-CG2 4.25Å; F651-I722 HydrophobicContact CD2-CD1 3.84Å; F651-I722 HydrophobicContact CD2-CG1 4.31Å; F651-I722 HydrophobicContact CE1-CG1 4.41Å; F651-I722 HydrophobicContact CE1-CG2 3.81Å; F651-I722 HydrophobicContact CE2-CD1 3.92Å; F651-I722 HydrophobicContact CG-CD1 4.1Å; F651-I722 HydrophobicContact CG-CG1 4.04Å; F651-I722 HydrophobicContact CZ-CD1 4.27Å; F651-I722 HydrophobicContact CZ-CG2 4.06Å
652	P	69.6	Low	78.4	Confident	64 Å²	64	54 Å²	54	42%	0.416	27%	0.268	S	S	.	.	S	Bend	cis	-82.6	98.6	-9.1	30.4	-30.4	0	0	0	111.9	V720	P652-V720 HydrophobicContact CB-CG1 3.9Å; P652-V720 HydrophobicContact CG-CG1 4.15Å
653	S	64.2	Low	78.9	Confident	42 Å²	42	60.4 Å²	60.4	29%	0.294	30%	0.302	S	S	.	.			trans	-81.5	137.5	170.8	176.5	0	0	0	0	111.1	L650 A655 T658	L650-S653 VanDerWaalsContact O-CB 3.23Å; L650-S653 WeakPolarHBondContact O-CB 3.26Å; S653-A655 VanDerWaalsContact C-N 3.32Å; S653-A655 PolarHBondContact OG-N 3.34Å; S653-A655 PolarHBondContact OG-O 2.91Å; S653-T658 VanDerWaalsContact CB-OG1 3.32Å; S653-T658 WeakPolarHBondContact CB-OG1 3.32Å; S653-T658 VanDerWaalsContact OG-CG2 3.26Å; S653-T658 WeakPolarHBondContact OG-CG2 3.42Å; S653-T658 PolarHBondContact OG-OG1 3.01Å
654	K	52.6	Low	79.1	Confident	221 Å²	221	61.1 Å²	61.1	96%	0.961	31%	0.305	S	S	*	.	S	Bend	trans	-82.9	-9.3	169.9	-63.2	178.2	-176.9	173.8	0	113
655	A	54.1	Low	78.9	Confident	49 Å²	49	62.7 Å²	62.7	41%	0.405	32%	0.315	S	S	.	.	S	Bend	trans	-115.5	137.9	-176.5	0	0	0	0	0	111.7	S653 S657	S653-A655 VanDerWaalsContact C-N 3.32Å; S653-A655 PolarHBondContact OG-N 3.34Å; S653-A655 PolarHBondContact OG-O 2.91Å; A655-S657 PolarHBondContact O-N 3.24Å; A655-S657 VanDerWaalsContact O-N 3.15Å
656	K	53.6	Low	78.5	Confident	166 Å²	166	69.8 Å²	69.8	72%	0.722	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-59.7	-21.7	174.8	-60.8	-178.8	-174.6	172.4	0	113.2	E405 T658	E405-K656 IonicContact OE1-NZ 2.79Å; E405-K656 PolarHBondContact OE1-NZ 3.41Å; K656-T658 VanDerWaalsContact C-N 3.34Å; K656-T658 PolarHBondContact O-N 2.87Å
657	S	56.3	Low	77.8	Confident	86 Å²	86	77.1 Å²	77.1	60%	0.601	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-81.5	6.1	-169	51.1	0	0	0	0	116	A655 K659	A655-S657 PolarHBondContact O-N 3.24Å; A655-S657 VanDerWaalsContact O-N 3.15Å; S657-K659 PolarHBondContact O-N 3.19Å
658	T	68.5	Low	77	Confident	32 Å²	32	78.3 Å²	78.3	20%	0.196	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-80.8	0.6	172.4	53.8	0	0	0	0	114.1	L650 S653 K656 R660 Y679	L650-T658 PolarHBondContact O-OG1 3.22Å; S653-T658 VanDerWaalsContact CB-OG1 3.32Å; S653-T658 WeakPolarHBondContact CB-OG1 3.32Å; S653-T658 VanDerWaalsContact OG-CG2 3.26Å; S653-T658 WeakPolarHBondContact OG-CG2 3.42Å; S653-T658 PolarHBondContact OG-OG1 3.01Å; K656-T658 VanDerWaalsContact C-N 3.34Å; K656-T658 PolarHBondContact O-N 2.87Å; T658-R660 PolarHBondContact O-N 3.49Å; T658-Y679 HydrophobicContact CG2-CD1 4.41Å; T658-Y679 VanDerWaalsContact O-CE1 3.3Å; T658-Y679 WeakPolarHBondContact O-CE1 3.33Å
659	K	81.4	Confident	76.4	Confident	91 Å²	91	80.4 Å²	80.4	40%	0.396	40%	0.397	S	S	.	.			trans	-65.3	114.6	167.4	179.7	-176.9	173.3	-168.2	0	109.4	E408 Y649 S657	E408-K659 IonicContact OE1-NZ 3.89Å; E408-K659 PolarHBondContact OE1-NZ 3.44Å; Y649-K659 HydrophobicContact CD1-CB 4.24Å; Y649-K659 HydrophobicContact CE1-CB 3.9Å; Y649-K659 HydrophobicContact CE1-CD 4.36Å; Y649-K659 HydrophobicContact CE1-CG 3.79Å; S657-K659 PolarHBondContact O-N 3.19Å
660	R	84.4	Confident	76.1	Confident	102 Å²	102	81.3 Å²	81.3	39%	0.385	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	155.2	171.4	-60.4	-62.4	-163	-150.6	4.7	109.8	K647 G648 T658 F677 V678 Y679	K647-R660 CarbonylContact C-O 3.57Å; K647-R660 VanDerWaalsContact CA-O 3.31Å; K647-R660 WeakPolarHBondContact CA-O 3.41Å; G648-R660 PolarHBondContact N-O 3.44Å; G648-R660 PolarHBondContact O-N 3.02Å; T658-R660 PolarHBondContact O-N 3.49Å; R660-F677 HydrophobicContact CB-CB 3.99Å; R660-F677 HydrophobicContact CB-CD1 3.64Å; R660-F677 HydrophobicContact CB-CD2 3.7Å; R660-F677 HydrophobicContact CB-CE1 3.97Å; R660-F677 HydrophobicContact CB-CE2 4.02Å; R660-F677 HydrophobicContact CB-CG 3.49Å; R660-F677 VanDerWaalsContact CB-CG 3.49Å; R660-F677 HydrophobicContact CB-CZ 4.14Å; R660-F677 HydrophobicContact CG-CB 4.03Å; R660-F677 HydrophobicContact CG-CD1 4.47Å; R660-F677 HydrophobicContact CG-CG 4.11Å; R660-V678 PolarHBondContact NE-O 3.02Å; R660-V678 PolarHBondContact NH2-O 3.01Å; R660-Y679 HydrophobicContact CG-CE1 4.03Å; R660-Y679 HydrophobicContact CG-CE2 4.47Å
661	K	90.8	Very high	76.1	Confident	109 Å²	109	81.2 Å²	81.2	47%	0.474	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	144.9	-175.5	-169.7	-163.8	163.8	-168.6	0	110.5	F645 V646 K647 F677	F645-K661 HydrophobicContact CD2-CD 4.33Å; F645-K661 HydrophobicContact CD2-CG 4Å; V646-K661 CarbonylContact O-C 3.52Å; V646-K661 VanDerWaalsContact O-CA 3.27Å; V646-K661 WeakPolarHBondContact O-CA 3.27Å; K647-K661 HydrophobicContact CG-CG 4.22Å; K661-F677 VanDerWaalsContact C-CE1 3.49Å
662	T	91.8	Very high	76.3	Confident	7 Å²	7	85.2 Å²	85.2	4%	0.043	42%	0.424	C	S	.	.			trans	-85.8	168	171	68.7	0	0	0	0	111.8	I627 V646 Y673 F677	I627-T662 HydrophobicContact CB-CG2 4.33Å; I627-T662 HydrophobicContact CG1-CG2 4.41Å; I627-T662 HydrophobicContact CG2-CG2 4.31Å; V646-T662 HydrophobicContact CB-CG2 3.88Å; V646-T662 HydrophobicContact CG2-CG2 4.35Å; V646-T662 PolarHBondContact N-OG1 2.61Å; V646-T662 PolarHBondContact O-N 3.01Å; T662-Y673 HydrophobicContact CG2-CD1 4.39Å; T662-Y673 HydrophobicContact CG2-CG 4.3Å; T662-F677 HydrophobicContact CG2-CE1 3.88Å; T662-F677 HydrophobicContact CG2-CZ 3.75Å
663	D	88.4	Confident	77.4	Confident	134 Å²	134	83 Å²	83	72%	0.717	41%	0.407	S	S	*	.			trans	-60.4	163.2	159	-78	-46.9	0	0	0	112.4
664	I	89.3	Confident	78.6	Confident	48 Å²	48	86 Å²	86	25%	0.246	42%	0.42	C	S	.	.			trans	-99.2	107.9	-174.9	-60.2	138	0	0	0	109.7	D643 S644 F645 K666 R699	D643-I664 WeakPolarHBondContact O-CG2 3.06Å; S644-I664 CarbonylContact O-C 3.59Å; S644-I664 WeakPolarHBondContact O-CA 3.41Å; F645-I664 HydrophobicContact CB-CB 4.49Å; F645-I664 HydrophobicContact CB-CG1 3.89Å; F645-I664 HydrophobicContact CD1-CG1 3.99Å; F645-I664 HydrophobicContact CG-CG1 4.13Å; I664-K666 HydrophobicContact CG2-CG 4.47Å; I664-K666 PolarHBondContact O-N 2.66Å; I664-R699 HydrophobicContact CG2-CB 4.03Å
665	V	86.2	Confident	80.5	Confident	34 Å²	34	76.6 Å²	76.6	21%	0.206	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-86.6	108.9	179.5	-176.2	0	0	0	0	109.1	D643 S644 N668 P671 Y673	D643-V665 CarbonylContact C-O 3.49Å; D643-V665 WeakPolarHBondContact CA-O 3.31Å; S644-V665 PolarHBondContact N-O 3.19Å; S644-V665 PolarHBondContact O-N 3.03Å; V665-N668 HydrophobicContact CG1-CB 4.09Å; V665-P671 HydrophobicContact CB-CB 3.71Å; V665-P671 HydrophobicContact CG1-CB 3.69Å; V665-P671 HydrophobicContact CG2-CB 4.12Å; V665-Y673 HydrophobicContact CB-CE1 4.31Å; V665-Y673 HydrophobicContact CG2-CD1 3.64Å; V665-Y673 HydrophobicContact CG2-CE1 3.82Å
666	K	83.7	Confident	82.3	Confident	153 Å²	153	77.6 Å²	77.6	67%	0.665	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	144.1	-172.1	-66.3	175.2	-173.1	167.4	0	113.1	D643 I664 N668	D643-K666 HydrophobicContact CB-CG 4.49Å; D643-K666 WeakPolarHBondContact OD1-CA 3.43Å; D643-K666 VanDerWaalsContact OD1-CB 3.28Å; D643-K666 WeakPolarHBondContact OD1-CB 3.44Å; I664-K666 HydrophobicContact CG2-CG 4.47Å; I664-K666 PolarHBondContact O-N 2.66Å; K666-N668 VanDerWaalsContact C-N 3.32Å; K666-N668 PolarHBondContact O-N 3.01Å
667	K	77.9	Confident	84.2	Confident	154 Å²	154	70 Å²	70	67%	0.67	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	41	175.7	-58.8	-172.3	177.8	-174.4	0	116.2	T641 S642 D643	T641-K667 HydrophobicContact CG2-CB 4.35Å; S642-K667 CarbonylContact O-C 3.18Å; S642-K667 WeakPolarHBondContact O-CA 3.26Å; S642-K667 PolarHBondContact O-N 2.8Å; D643-K667 PolarHBondContact OD1-N 3.23Å
668	N	75.4	Confident	85.9	Confident	58 Å²	58	67.7 Å²	67.7	31%	0.31	33%	0.333	S	S	.	.			trans	-133	139.6	-178.8	-167.4	-1.7	0	0	0	111.9	S642 V665 K666 N670	S642-N668 PolarHBondContact O-N 3.35Å; V665-N668 HydrophobicContact CG1-CB 4.09Å; K666-N668 VanDerWaalsContact C-N 3.32Å; K666-N668 PolarHBondContact O-N 3.01Å; N668-N670 PolarHBondContact ND2-O 2.77Å; N668-N670 PolarHBondContact OD1-N 3.42Å; N668-N670 PolarHBondContact OD1-O 2.81Å
669	L	78.1	Confident	86.8	Confident	45 Å²	45	66.5 Å²	66.5	24%	0.236	33%	0.325	C	S	.	.	S	Bend	trans	-100.7	-11.3	173.7	-53.2	-173.9	0	0	0	113.5	N632 L633 A635 G640 P671	N632-L669 PolarHBondContact N-O 2.91Å; L633-L669 WeakPolarHBondContact CB-O 3.43Å; L633-L669 PolarHBondContact N-O 2.86Å; A635-L669 HydrophobicContact CB-CD1 3.94Å; A635-L669 HydrophobicContact CB-CD2 3.74Å; A635-L669 HydrophobicContact CB-CG 4.49Å; G640-L669 WeakPolarHBondContact O-CD1 3.4Å; L669-P671 WeakPolarHBondContact O-CD 3.41Å
670	N	82.1	Confident	87.1	Confident	76 Å²	76	68 Å²	68	41%	0.406	33%	0.331	S	S	.	.	S	Bend	trans	-120	63.3	169.3	-58.2	-67.2	0	0	0	109.2	A630 K631 N632 N668	A630-N670 CarbonylContact O-C 3.36Å; A630-N670 VanDerWaalsContact O-CA 3.23Å; A630-N670 WeakPolarHBondContact O-CA 3.5Å; K631-N670 WeakPolarHBondContact CA-OD1 3.42Å; N632-N670 PolarHBondContact N-OD1 2.99Å; N668-N670 PolarHBondContact ND2-O 2.77Å; N668-N670 PolarHBondContact OD1-N 3.42Å; N668-N670 PolarHBondContact OD1-O 2.81Å
671	P	86.7	Confident	87	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.347	C	S	.	.			trans	-71.3	132.7	-175.2	31.9	-38.4	0	0	0	111.4	E629 A630 L633 S644 V665 L669 Y673	E629-P671 CarbonylContact C-O 3.52Å; E629-P671 WeakPolarHBondContact CA-O 3.28Å; E629-P671 WeakPolarHBondContact CB-O 3.28Å; A630-P671 HydrophobicContact CB-CG 3.88Å; A630-P671 PolarHBondContact N-O 3.06Å; A630-P671 WeakPolarHBondContact O-CD 3.34Å; L633-P671 HydrophobicContact CD1-CG 3.6Å; L633-P671 HydrophobicContact CG-CG 4.5Å; S644-P671 WeakPolarHBondContact OG-CB 3.36Å; S644-P671 VanDerWaalsContact OG-CG 3.3Å; S644-P671 WeakPolarHBondContact OG-CG 3.44Å; V665-P671 HydrophobicContact CB-CB 3.71Å; V665-P671 HydrophobicContact CG1-CB 3.69Å; V665-P671 HydrophobicContact CG2-CB 4.12Å; L669-P671 WeakPolarHBondContact O-CD 3.41Å; P671-Y673 HydrophobicContact CB-CE1 3.95Å; P671-Y673 HydrophobicContact CB-CE2 4.21Å; P671-Y673 HydrophobicContact CG-CE1 4.21Å; P671-Y673 HydrophobicContact CG-CE2 3.79Å; P671-Y673 VanDerWaalsContact CG-CZ 3.48Å; P671-Y673 WeakPolarHBondContact CG-OH 3.19Å
672	Q	87.8	Confident	86.6	Confident	118 Å²	118	65.9 Å²	65.9	55%	0.551	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.4	170.1	-59	-167	-39.7	0	0	108.7	E629	E629-Q672 HydrophobicContact CB-CB 4.38Å; E629-Q672 HydrophobicContact CB-CG 3.93Å; E629-Q672 PolarHBondContact OE2-NE2 3.42Å
673	Y	91.3	Very high	86.2	Confident	17 Å²	17	66.7 Å²	66.7	7%	0.067	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-34.5	-176.3	-55.2	-72.4	0	0	0	112.3	L593 I627 K628 A630 S644 V646 T662 V665 P671 S675	L593-Y673 HydrophobicContact CD1-CE2 4.44Å; I627-Y673 HydrophobicContact CG2-CD2 3.7Å; I627-Y673 HydrophobicContact CG2-CE2 4.46Å; I627-Y673 HydrophobicContact CG2-CG 4.2Å; K628-Y673 PolarHBondContact O-N 2.85Å; A630-Y673 HydrophobicContact CB-CE2 4.03Å; S644-Y673 VanDerWaalsContact CB-OH 3.3Å; S644-Y673 WeakPolarHBondContact CB-OH 3.19Å; S644-Y673 PolarHBondContact OG-OH 3.16Å; V646-Y673 HydrophobicContact CG2-CD2 3.94Å; V646-Y673 HydrophobicContact CG2-CE1 4.26Å; V646-Y673 HydrophobicContact CG2-CE2 3.49Å; V646-Y673 VanDerWaalsContact CG2-CE2 3.49Å; V646-Y673 HydrophobicContact CG2-CG 4.46Å; T662-Y673 HydrophobicContact CG2-CD1 4.39Å; T662-Y673 HydrophobicContact CG2-CG 4.3Å; V665-Y673 HydrophobicContact CB-CE1 4.31Å; V665-Y673 HydrophobicContact CG2-CD1 3.64Å; V665-Y673 HydrophobicContact CG2-CE1 3.82Å; P671-Y673 HydrophobicContact CB-CE1 3.95Å; P671-Y673 HydrophobicContact CB-CE2 4.21Å; P671-Y673 HydrophobicContact CG-CE1 4.21Å; P671-Y673 HydrophobicContact CG-CE2 3.79Å; P671-Y673 VanDerWaalsContact CG-CZ 3.48Å; P671-Y673 WeakPolarHBondContact CG-OH 3.19Å; Y673-S675 PolarHBondContact O-N 3.47Å; Y673-S675 PolarHBondContact O-OG 3.4Å
674	N	91.2	Very high	85.9	Confident	105 Å²	105	62.7 Å²	62.7	56%	0.561	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	39.6	41.3	-178.4	-64.3	-46.4	0	0	0	114.2	I627 K628	I627-N674 CarbonylContact O-C 3.55Å; I627-N674 VanDerWaalsContact O-CA 3.27Å; I627-N674 WeakPolarHBondContact O-CA 3.45Å; I627-N674 PolarHBondContact O-N 3.49Å; K628-N674 PolarHBondContact O-N 3.42Å; K628-N674 PolarHBondContact O-OD1 2.94Å
675	S	90.7	Very high	85.5	Confident	24 Å²	24	66 Å²	66	17%	0.168	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.2	-167.6	-70.7	0	0	0	0	110.8	I627 Y673	I627-S675 PolarHBondContact N-O 3.5Å; I627-S675 PolarHBondContact O-N 2.71Å; Y673-S675 PolarHBondContact O-N 3.47Å; Y673-S675 PolarHBondContact O-OG 3.4Å
676	T	93.2	Very high	85.3	Confident	71 Å²	71	69 Å²	69	44%	0.436	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.5	179.2	-50.8	0	0	0	0	111.7	H624 V625 V678 W749	H624-T676 HydrophobicContact CB-CG2 4.35Å; V625-T676 CarbonylContact O-C 3.59Å; V625-T676 WeakPolarHBondContact O-CA 3.49Å; T676-V678 HydrophobicContact CG2-CG2 4.09Å; T676-W749 HydrophobicContact CG2-CH2 4.47Å
677	F	93.7	Very high	85.3	Confident	7 Å²	7	61.8 Å²	61.8	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.3	166.1	-56.9	-18.6	0	0	0	109.5	V625 I627 R660 K661 T662 Y679 L694	V625-F677 HydrophobicContact CB-CB 4.23Å; V625-F677 PolarHBondContact N-O 2.99Å; V625-F677 PolarHBondContact O-N 3.36Å; I627-F677 HydrophobicContact CD1-CD2 4.48Å; I627-F677 HydrophobicContact CD1-CE2 4.27Å; I627-F677 HydrophobicContact CG1-CD2 4.25Å; I627-F677 HydrophobicContact CG1-CE2 3.92Å; I627-F677 HydrophobicContact CG1-CZ 4.08Å; R660-F677 HydrophobicContact CB-CB 3.99Å; R660-F677 HydrophobicContact CB-CD1 3.64Å; R660-F677 HydrophobicContact CB-CD2 3.7Å; R660-F677 HydrophobicContact CB-CE1 3.97Å; R660-F677 HydrophobicContact CB-CE2 4.02Å; R660-F677 HydrophobicContact CB-CG 3.49Å; R660-F677 VanDerWaalsContact CB-CG 3.49Å; R660-F677 HydrophobicContact CB-CZ 4.14Å; R660-F677 HydrophobicContact CG-CB 4.03Å; R660-F677 HydrophobicContact CG-CD1 4.47Å; R660-F677 HydrophobicContact CG-CG 4.11Å; K661-F677 VanDerWaalsContact C-CE1 3.49Å; T662-F677 HydrophobicContact CG2-CE1 3.88Å; T662-F677 HydrophobicContact CG2-CZ 3.75Å; F677-Y679 HydrophobicContact CB-CE2 3.81Å; F677-L694 HydrophobicContact CD2-CD2 4.38Å; F677-L694 HydrophobicContact CE2-CD2 4.26Å
678	V	90.8	Very high	85.6	Confident	37 Å²	37	61.7 Å²	61.7	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127.8	175.6	-176.3	0	0	0	0	110.2	E622 R660 T676 K680	E622-V678 HydrophobicContact CB-CG1 4.46Å; R660-V678 PolarHBondContact NE-O 3.02Å; R660-V678 PolarHBondContact NH2-O 3.01Å; T676-V678 HydrophobicContact CG2-CG2 4.09Å; V678-K680 HydrophobicContact CG1-CG 4.31Å
679	Y	88.6	Confident	85.9	Confident	7 Å²	7	65.9 Å²	65.9	3%	0.027	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.4	174.6	-59.5	-90.2	0	0	0	108.1	E622 L623 V625 G648 L650 T658 R660 F677 L692	E622-Y679 CarbonylContact C-O 3.41Å; E622-Y679 VanDerWaalsContact CA-O 3.29Å; E622-Y679 WeakPolarHBondContact CA-O 3.28Å; L623-Y679 HydrophobicContact CD2-CD2 4.22Å; L623-Y679 HydrophobicContact CG-CD2 4.34Å; L623-Y679 PolarHBondContact N-O 3.12Å; L623-Y679 PolarHBondContact O-N 3.39Å; V625-Y679 HydrophobicContact CG2-CD2 4.27Å; V625-Y679 HydrophobicContact CG2-CE2 4.09Å; G648-Y679 PolarHBondContact O-OH 3.47Å; L650-Y679 HydrophobicContact CB-CD1 3.75Å; L650-Y679 HydrophobicContact CB-CE1 3.58Å; L650-Y679 HydrophobicContact CB-CG 4.43Å; L650-Y679 HydrophobicContact CD2-CD1 3.68Å; L650-Y679 HydrophobicContact CD2-CD2 4.46Å; L650-Y679 HydrophobicContact CD2-CE1 4.36Å; L650-Y679 HydrophobicContact CD2-CG 3.74Å; L650-Y679 HydrophobicContact CG-CD1 4.38Å; T658-Y679 HydrophobicContact CG2-CD1 4.41Å; T658-Y679 VanDerWaalsContact O-CE1 3.3Å; T658-Y679 WeakPolarHBondContact O-CE1 3.33Å; R660-Y679 HydrophobicContact CG-CE1 4.03Å; R660-Y679 HydrophobicContact CG-CE2 4.47Å; F677-Y679 HydrophobicContact CB-CE2 3.81Å; Y679-L692 HydrophobicContact CE2-CD1 4.12Å
680	K	87.3	Confident	86.2	Confident	123 Å²	123	64.6 Å²	64.6	54%	0.535	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	171.8	-177.6	-62	179.6	174.9	-80.2	0	110.8	E622 V678	E622-K680 HydrophobicContact CG-CG 4.24Å; E622-K680 IonicContact OE1-NZ 3.12Å; E622-K680 PolarHBondContact OE1-NZ 3.28Å; V678-K680 HydrophobicContact CG1-CG 4.31Å
681	E	81.6	Confident	86.4	Confident	154 Å²	154	61 Å²	61	72%	0.72	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	67.9	36.2	167.3	-62.8	170.1	-137.3	0	0	114.6	G621	G621-E681 PolarHBondContact O-N 2.77Å
682	L	83.3	Confident	86.6	Confident	12 Å²	12	61 Å²	61	6%	0.063	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.4	-176.8	-53.5	-178.4	0	0	0	112.1	Y599 G621 L623 L650 L687 M690	Y599-L682 HydrophobicContact CE2-CB 4.4Å; Y599-L682 PolarHBondContact OH-O 3.2Å; Y599-L682 VanDerWaalsContact OH-O 3.05Å; G621-L682 WeakPolarHBondContact CA-O 3.49Å; G621-L682 PolarHBondContact N-O 3.47Å; G621-L682 PolarHBondContact O-N 3.31Å; G621-L682 VanDerWaalsContact O-N 3.16Å; L623-L682 HydrophobicContact CB-CD1 3.61Å; L623-L682 HydrophobicContact CD2-CD1 4.45Å; L650-L682 HydrophobicContact CD2-CD1 3.76Å; L650-L682 HydrophobicContact CD2-CD2 4.34Å; L682-L687 HydrophobicContact CD1-CD1 4.34Å; L682-M690 HydrophobicContact CD1-SD 4.22Å; L682-M690 HydrophobicContact CD2-CE 3.7Å; L682-M690 HydrophobicContact CD2-SD 3.78Å
683	S	83.9	Confident	86.7	Confident	24 Å²	24	56.6 Å²	56.6	17%	0.168	27%	0.273	C	S	.	.			trans	-98	163.2	166.3	97.6	0	0	0	0	112	E685 Q686 L687	S683-E685 VanDerWaalsContact C-N 3.25Å; S683-E685 WeakPolarHBondContact CB-OE2 3.38Å; S683-E685 PolarHBondContact O-N 3.02Å; S683-E685 PolarHBondContact OG-N 2.99Å; S683-E685 PolarHBondContact OG-OE2 2.86Å; S683-Q686 PolarHBondContact O-N 3.12Å; S683-Q686 PolarHBondContact OG-N 2.92Å; S683-L687 VanDerWaalsContact O-CB 3.29Å; S683-L687 WeakPolarHBondContact O-CB 3.49Å; S683-L687 PolarHBondContact O-N 2.79Å
684	L	80.9	Confident	86.8	Confident	50 Å²	50	55.8 Å²	55.8	26%	0.262	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.4	177.3	-78.3	172.3	0	0	0	113.1	Y599 L687 R688 M743	Y599-L684 HydrophobicContact CD1-CD2 3.5Å; Y599-L684 VanDerWaalsContact CD1-CD2 3.5Å; Y599-L684 HydrophobicContact CD1-CG 4.11Å; Y599-L684 HydrophobicContact CE1-CD1 4.17Å; Y599-L684 HydrophobicContact CE1-CD2 3.44Å; Y599-L684 VanDerWaalsContact CE1-CD2 3.44Å; Y599-L684 HydrophobicContact CE1-CG 3.52Å; Y599-L684 HydrophobicContact CE2-CD2 4.47Å; Y599-L684 HydrophobicContact CG-CD2 4.04Å; L684-L687 HydrophobicContact CD2-CD2 4.38Å; L684-R688 PolarHBondContact O-N 3.19Å; L684-M743 VanDerWaalsContact O-CE 3.32Å; L684-M743 WeakPolarHBondContact O-CE 3.45Å
685	E	81.6	Confident	86.8	Confident	118 Å²	118	51 Å²	51	55%	0.551	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-49.1	176.1	-55.9	65.9	-139.3	0	0	109.4	S683 L687 R688	S683-E685 VanDerWaalsContact C-N 3.25Å; S683-E685 WeakPolarHBondContact CB-OE2 3.38Å; S683-E685 PolarHBondContact O-N 3.02Å; S683-E685 PolarHBondContact OG-N 2.99Å; S683-E685 PolarHBondContact OG-OE2 2.86Å; E685-L687 VanDerWaalsContact C-N 3.31Å; E685-L687 PolarHBondContact O-N 3.48Å; E685-R688 WeakPolarHBondContact O-CB 3.42Å; E685-R688 PolarHBondContact O-N 3.11Å; E685-R688 VanDerWaalsContact O-N 3.13Å
686	Q	81.3	Confident	86.9	Confident	97 Å²	97	49.9 Å²	49.9	45%	0.453	24%	0.236	S	C	.	.	H	α-helix	trans	-58.8	-43.6	173.8	-67.4	172.1	-25.9	0	0	111.3	S683 R688 E689 M690	S683-Q686 PolarHBondContact O-N 3.12Å; S683-Q686 PolarHBondContact OG-N 2.92Å; Q686-R688 PolarHBondContact O-N 3.42Å; Q686-R688 VanDerWaalsContact O-N 3.11Å; Q686-E689 CarbonylContact O-C 3.54Å; Q686-E689 PolarHBondContact O-N 2.85Å; Q686-M690 WeakPolarHBondContact O-CG 3.49Å; Q686-M690 PolarHBondContact O-N 2.82Å; Q686-M690 VanDerWaalsContact O-N 3.11Å
687	L	84.4	Confident	86.7	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.4	-20.7	179.5	-165.7	66.7	0	0	0	113.3	Y599 L623 L682 S683 L684 E685 W739 M742 M743	Y599-L687 HydrophobicContact CD2-CD2 3.58Å; Y599-L687 HydrophobicContact CE2-CD2 4.2Å; Y599-L687 HydrophobicContact CG-CD2 3.97Å; L623-L687 HydrophobicContact CD2-CD1 4.11Å; L682-L687 HydrophobicContact CD1-CD1 4.34Å; S683-L687 VanDerWaalsContact O-CB 3.29Å; S683-L687 WeakPolarHBondContact O-CB 3.49Å; S683-L687 PolarHBondContact O-N 2.79Å; L684-L687 HydrophobicContact CD2-CD2 4.38Å; E685-L687 VanDerWaalsContact C-N 3.31Å; E685-L687 PolarHBondContact O-N 3.48Å; L687-W739 HydrophobicContact CD1-CH2 3.66Å; L687-W739 HydrophobicContact CD1-CZ2 3.5Å; L687-W739 VanDerWaalsContact CD1-CZ2 3.5Å; L687-W739 HydrophobicContact CG-CH2 4.42Å; L687-W739 HydrophobicContact CG-CZ2 3.84Å; L687-W739 WeakPolarHBondContact O-CZ2 3.49Å; L687-W739 PolarHBondContact O-NE1 2.78Å; L687-W739 VanDerWaalsContact O-NE1 3.17Å; L687-M742 HydrophobicContact CD1-CE 4.4Å; L687-M742 HydrophobicContact CD2-CE 3.68Å; L687-M742 HydrophobicContact CG-CE 4.11Å; L687-M743 HydrophobicContact CB-CE 4.42Å; L687-M743 HydrophobicContact CD2-CG 4.19Å
688	R	83.5	Confident	86.4	Confident	153 Å²	153	49 Å²	49	58%	0.577	23%	0.225	S	C	*	.	H	α-helix	trans	-74.5	-32.6	174.2	-158.7	179.1	-59.1	-172.9	3.2	113.1	L684 E685 Q686 S715 M743	L684-R688 PolarHBondContact O-N 3.19Å; E685-R688 WeakPolarHBondContact O-CB 3.42Å; E685-R688 PolarHBondContact O-N 3.11Å; E685-R688 VanDerWaalsContact O-N 3.13Å; Q686-R688 PolarHBondContact O-N 3.42Å; Q686-R688 VanDerWaalsContact O-N 3.11Å; R688-S715 PolarHBondContact O-OG 3.04Å; R688-M743 HydrophobicContact CB-CE 3.86Å; R688-M743 HydrophobicContact CG-CE 4.23Å
689	E	81.4	Confident	86	Confident	145 Å²	145	52.3 Å²	52.3	68%	0.678	23%	0.234	S	C	*	.	H	α-helix	trans	-93.6	-0.1	177.8	-60.6	-178.6	174.8	0	0	111.9	Q686 V720	Q686-E689 CarbonylContact O-C 3.54Å; Q686-E689 PolarHBondContact O-N 2.85Å; E689-V720 WeakPolarHBondContact O-CG2 3.31Å
690	M	84.9	Confident	85.4	Confident	19 Å²	19	54.7 Å²	54.7	9%	0.094	25%	0.245	C	C	.	.			trans	-90.7	158.5	179.7	-81.8	-170.5	145.8	0	0	113.9	L650 F651 L682 Q686 W739	L650-M690 HydrophobicContact CD1-CB 4.31Å; L650-M690 HydrophobicContact CD1-SD 4.09Å; L650-M690 HydrophobicContact CD2-CE 3.9Å; L650-M690 HydrophobicContact CD2-SD 3.76Å; L650-M690 HydrophobicContact CG-CE 3.98Å; L650-M690 HydrophobicContact CG-SD 3.91Å; F651-M690 CarbonylContact O-C 3.5Å; F651-M690 WeakPolarHBondContact O-CA 3.28Å; F651-M690 WeakPolarHBondContact O-CB 3.45Å; F651-M690 WeakPolarHBondContact O-CG 3.43Å; L682-M690 HydrophobicContact CD1-SD 4.22Å; L682-M690 HydrophobicContact CD2-CE 3.7Å; L682-M690 HydrophobicContact CD2-SD 3.78Å; Q686-M690 WeakPolarHBondContact O-CG 3.49Å; Q686-M690 PolarHBondContact O-N 2.82Å; Q686-M690 VanDerWaalsContact O-N 3.11Å; M690-W739 HydrophobicContact CB-CZ2 4.25Å
691	C	87.1	Confident	83.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	116.3	-179.8	172.3	0	0	0	0	109.4	F651 R712 L713 L729	F651-C691 HydrophobicContact CB-CB 4.4Å; F651-C691 PolarHBondContact N-O 3.36Å; F651-C691 PolarHBondContact O-N 2.91Å; C691-R712 WeakPolarHBondContact SG-CG 3.43Å; C691-L713 CarbonylContact C-O 3.6Å; C691-L713 WeakPolarHBondContact CA-O 3.16Å; C691-L729 HydrophobicContact CB-CD2 3.63Å
692	L	89.9	Confident	82.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	116.8	172.5	173.1	69.7	0	0	0	109.2	L597 V625 L650 Y679 L694 L713 W739	L597-L692 HydrophobicContact CD2-CD2 3.98Å; V625-L692 HydrophobicContact CB-CD2 4.45Å; V625-L692 HydrophobicContact CG1-CD2 3.96Å; V625-L692 HydrophobicContact CG2-CD1 4.42Å; V625-L692 HydrophobicContact CG2-CD2 3.62Å; L650-L692 HydrophobicContact CD1-CB 4Å; L650-L692 HydrophobicContact CD1-CD1 4.41Å; Y679-L692 HydrophobicContact CE2-CD1 4.12Å; L692-L694 HydrophobicContact CD1-CD2 3.98Å; L692-L694 HydrophobicContact CD2-CD2 4.43Å; L692-L694 HydrophobicContact CD2-CG 4.47Å; L692-L694 HydrophobicContact CG-CD2 4.15Å; L692-L694 HydrophobicContact CG-CG 4.23Å; L692-L713 HydrophobicContact CB-CB 4.17Å; L692-L713 HydrophobicContact CD2-CD1 3.94Å; L692-L713 HydrophobicContact CG-CD1 4.41Å; L692-L713 PolarHBondContact N-O 3.15Å; L692-L713 PolarHBondContact O-N 2.77Å; L692-W739 HydrophobicContact CB-CH2 3.94Å; L692-W739 HydrophobicContact CB-CZ3 3.65Å; L692-W739 HydrophobicContact CD2-CZ3 4.02Å
693	E	91	Very high	81.6	Confident	25 Å²	25	59.4 Å²	59.4	12%	0.117	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.6	174.4	176.3	161.3	116.1	0	0	110.1	G648 Y649 F651 T695 R712 M760	G648-E693 CarbonylContact C-O 3.5Å; G648-E693 WeakPolarHBondContact CA-O 3.16Å; Y649-E693 PolarHBondContact N-O 2.8Å; Y649-E693 PolarHBondContact O-N 3.03Å; F651-E693 HydrophobicContact CD2-CB 4.45Å; F651-E693 HydrophobicContact CE2-CB 3.97Å; E693-T695 HydrophobicContact CG-CG2 3.99Å; E693-R712 IonicContact OE2-CZ 3.13Å; E693-R712 IonicContact OE2-NE 3.31Å; E693-R712 PolarHBondContact OE2-NE 3.39Å; E693-R712 VanDerWaalsContact OE2-NE 3.13Å; E693-R712 IonicContact OE2-NH2 2.77Å; E693-R712 PolarHBondContact OE2-NH2 2.8Å; E693-M760 HydrophobicContact CG-CE 4.06Å
694	L	92.6	Very high	80.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.1	175.8	-56.6	176.2	0	0	0	108.9	L593 I595 V625 I627 V646 K647 F677 L692 G710 V711 L713	L593-L694 HydrophobicContact CD2-CB 4.1Å; L593-L694 HydrophobicContact CD2-CD1 4.07Å; I595-L694 HydrophobicContact CD1-CD1 3.74Å; I595-L694 HydrophobicContact CG2-CD1 4.1Å; V625-L694 HydrophobicContact CG1-CD1 4.32Å; V625-L694 HydrophobicContact CG1-CD2 4.43Å; I627-L694 HydrophobicContact CD1-CD1 3.76Å; I627-L694 HydrophobicContact CD1-CD2 4.08Å; V646-L694 HydrophobicContact CG1-CB 4.44Å; K647-L694 WeakPolarHBondContact O-CA 3.22Å; F677-L694 HydrophobicContact CD2-CD2 4.38Å; F677-L694 HydrophobicContact CE2-CD2 4.26Å; L692-L694 HydrophobicContact CD1-CD2 3.98Å; L692-L694 HydrophobicContact CD2-CD2 4.43Å; L692-L694 HydrophobicContact CD2-CG 4.47Å; L692-L694 HydrophobicContact CG-CD2 4.15Å; L692-L694 HydrophobicContact CG-CG 4.23Å; L694-G710 CarbonylContact O-C 3.43Å; L694-G710 WeakPolarHBondContact O-CA 3.41Å; L694-V711 HydrophobicContact CB-CG2 3.86Å; L694-V711 HydrophobicContact CD1-CG2 4.29Å; L694-V711 HydrophobicContact CG-CG2 4.45Å; L694-V711 PolarHBondContact N-O 2.74Å; L694-V711 PolarHBondContact O-N 3.34Å; L694-L713 HydrophobicContact CD1-CD1 4.03Å
695	T	91.1	Very high	80.9	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.8	-176.6	54.7	0	0	0	0	111	V646 K647 E693 W697 F707 M760	V646-T695 CarbonylContact C-O 3.54Å; V646-T695 WeakPolarHBondContact CA-O 3.29Å; V646-T695 WeakPolarHBondContact CG1-O 3.24Å; K647-T695 PolarHBondContact N-O 3.28Å; K647-T695 PolarHBondContact O-N 2.91Å; K647-T695 PolarHBondContact O-OG1 2.62Å; E693-T695 HydrophobicContact CG-CG2 3.99Å; T695-W697 VanDerWaalsContact O-CD1 3.3Å; T695-W697 PolarHBondContact OG1-NE1 3.03Å; T695-F707 HydrophobicContact CG2-CE2 3.92Å; T695-M760 HydrophobicContact CG2-CG 3.78Å; T695-M760 HydrophobicContact CG2-SD 4.41Å
696	V	91.9	Very high	81	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133	-178.4	-165.8	0	0	0	0	109	L593 L633 V646 L708 G709 L756	L593-V696 HydrophobicContact CD1-CG2 4.21Å; L593-V696 HydrophobicContact CD2-CG2 4.48Å; L633-V696 HydrophobicContact CD1-CG1 4.12Å; L633-V696 HydrophobicContact CD2-CG1 4.25Å; V646-V696 HydrophobicContact CG1-CG2 4.49Å; V646-V696 HydrophobicContact CG2-CG1 4.38Å; V646-V696 HydrophobicContact CG2-CG2 4.16Å; V696-L708 HydrophobicContact CB-CB 4.39Å; V696-L708 HydrophobicContact CG1-CB 4.44Å; V696-L708 HydrophobicContact CG1-CD1 4.18Å; V696-L708 PolarHBondContact O-N 3.22Å; V696-G709 PolarHBondContact N-O 2.91Å; V696-G709 PolarHBondContact O-N 2.98Å; V696-L756 HydrophobicContact CG2-CD1 4.03Å; V696-L756 HydrophobicContact CG2-CD2 3.67Å
697	W	89.2	Confident	81	Confident	60 Å²	60	57.7 Å²	57.7	23%	0.227	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.1	-172	-62.4	79.7	0	0	0	110.7	S644 F645 T695 N705 E706 F707	S644-W697 CarbonylContact C-O 3.58Å; S644-W697 WeakPolarHBondContact CA-O 3.13Å; F645-W697 HydrophobicContact CD1-CB 4.26Å; F645-W697 HydrophobicContact CD2-CB 4.28Å; F645-W697 HydrophobicContact CE1-CB 3.72Å; F645-W697 HydrophobicContact CE2-CB 3.73Å; F645-W697 HydrophobicContact CE2-CG 4.05Å; F645-W697 HydrophobicContact CZ-CB 3.43Å; F645-W697 VanDerWaalsContact CZ-CB 3.43Å; F645-W697 HydrophobicContact CZ-CG 4.05Å; F645-W697 PolarHBondContact N-O 2.93Å; F645-W697 PolarHBondContact O-N 2.99Å; T695-W697 VanDerWaalsContact O-CD1 3.3Å; T695-W697 PolarHBondContact OG1-NE1 3.03Å; W697-N705 HydrophobicContact CE3-CB 4.24Å; W697-E706 CarbonylContact C-O 3.59Å; W697-E706 VanDerWaalsContact CA-O 3.22Å; W697-E706 WeakPolarHBondContact CA-O 3.23Å; W697-F707 HydrophobicContact CD2-CD2 4.37Å; W697-F707 AromaticContact CE2-CD2 3.97Å; W697-F707 HydrophobicContact CE3-CB 4.05Å; W697-F707 HydrophobicContact CH2-CB 4.19Å; W697-F707 HydrophobicContact CH2-CD2 4.17Å; W697-F707 AromaticContact CZ2-CD2 3.87Å; W697-F707 HydrophobicContact CZ2-CD2 3.87Å; W697-F707 HydrophobicContact CZ3-CB 3.86Å
698	D	87.6	Confident	80.9	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.1	167.6	-159.3	-21.9	0	0	0	109.8	K637 S642 D643 N705 E706 L708	K637-D698 WeakPolarHBondContact CD-OD2 3.27Å; K637-D698 WeakPolarHBondContact CE-OD1 3.22Å; K637-D698 WeakPolarHBondContact CE-OD2 3.39Å; K637-D698 VanDerWaalsContact NZ-CG 3.34Å; K637-D698 IonicContact NZ-OD1 2.66Å; K637-D698 PolarHBondContact NZ-OD1 3.28Å; K637-D698 IonicContact NZ-OD2 2.61Å; S642-D698 WeakPolarHBondContact CA-OD2 3.48Å; S642-D698 WeakPolarHBondContact CB-OD2 3.49Å; S642-D698 PolarHBondContact OG-OD1 3.19Å; S642-D698 PolarHBondContact OG-OD2 3.21Å; D643-D698 WeakPolarHBondContact CA-OD1 3.12Å; D643-D698 PolarHBondContact N-OD1 3.35Å; D698-N705 WeakPolarHBondContact O-CA 3.27Å; D698-N705 WeakPolarHBondContact O-CB 3.37Å; D698-E706 HydrophobicContact CB-CB 4.4Å; D698-E706 PolarHBondContact N-O 2.89Å; D698-E706 PolarHBondContact O-N 3.38Å; D698-L708 HydrophobicContact CB-CD1 4.15Å; D698-L708 HydrophobicContact CB-CD2 4.1Å; D698-L708 HydrophobicContact CB-CG 4.15Å
699	R	83.4	Confident	81	Confident	106 Å²	106	50.5 Å²	50.5	40%	0.4	26%	0.257	S	S	.	.			trans	-81.3	125.8	175.3	-170.9	169.3	-173	-99.1	5.3	110.6	K637 D643 F645 I664 N705	K637-R699 PolarHBondContact NZ-O 3.47Å; D643-R699 WeakPolarHBondContact O-CB 3.33Å; D643-R699 PolarHBondContact O-N 3.45Å; F645-R699 HydrophobicContact CD1-CB 4.03Å; F645-R699 HydrophobicContact CE1-CB 3.85Å; I664-R699 HydrophobicContact CG2-CB 4.03Å; R699-N705 WeakPolarHBondContact CA-OD1 3.37Å
700	E	74.4	Confident	81.3	Confident	57 Å²	57	43.6 Å²	43.6	27%	0.266	23%	0.225	S	C	.	.			trans	-107.2	133.5	167.5	-57.7	-142.9	99.7	0	0	109.8	M702 L703	E700-M702 VanDerWaalsContact C-N 3.32Å; E700-M702 PolarHBondContact O-N 3.27Å; E700-L703 HydrophobicContact CB-CB 3.83Å; E700-L703 HydrophobicContact CG-CB 4.44Å; E700-L703 WeakPolarHBondContact OE2-CB 3.42Å; E700-L703 VanDerWaalsContact OE2-CD1 3.26Å; E700-L703 WeakPolarHBondContact OE2-CD1 3.4Å
701	A	56.4	Low	81.6	Confident	84 Å²	84	42.7 Å²	42.7	69%	0.694	22%	0.221	S	C	*	.	S	Bend	trans	-83.5	-6.8	-175	0	0	0	0	0	114.1
702	M	51.4	Low	81.7	Confident	183 Å²	183	43.1 Å²	43.1	90%	0.901	22%	0.222	S	C	*	.	S	Bend	trans	-142.8	6.4	-172.8	-69.4	-71.9	-177.1	0	0	112.8	E700	E700-M702 VanDerWaalsContact C-N 3.32Å; E700-M702 PolarHBondContact O-N 3.27Å
703	L	64.9	Low	81.6	Confident	121 Å²	121	43.1 Å²	43.1	63%	0.634	22%	0.222	S	C	*	.	S	Bend	trans	-147.2	171.1	-173.1	-68.9	175.1	0	0	0	109.3	E700	E700-L703 HydrophobicContact CB-CB 3.83Å; E700-L703 HydrophobicContact CG-CB 4.44Å; E700-L703 WeakPolarHBondContact OE2-CB 3.42Å; E700-L703 VanDerWaalsContact OE2-CD1 3.26Å; E700-L703 WeakPolarHBondContact OE2-CD1 3.4Å
704	S	70.3	Confident	81.5	Confident	65 Å²	65	41.9 Å²	41.9	46%	0.455	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-72.4	129.8	176.5	56.6	0	0	0	0	111.4	E706	S704-E706 PolarHBondContact O-N 3.41Å
705	N	81	Confident	80.9	Confident	53 Å²	53	42.9 Å²	42.9	28%	0.283	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-47.3	133.6	178.3	-52	-80.1	0	0	0	112.5	F645 W697 D698 R699	F645-N705 HydrophobicContact CZ-CB 4.34Å; W697-N705 HydrophobicContact CE3-CB 4.24Å; D698-N705 WeakPolarHBondContact O-CA 3.27Å; D698-N705 WeakPolarHBondContact O-CB 3.37Å; R699-N705 WeakPolarHBondContact CA-OD1 3.37Å
706	E	82.1	Confident	79.6	Confident	81 Å²	81	44 Å²	44	38%	0.379	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	141.5	-176.8	-165.6	166.5	-148.7	0	0	110.9	M636 W697 D698 S704	M636-E706 WeakPolarHBondContact CB-OE2 3.39Å; M636-E706 HydrophobicContact SD-CG 3.65Å; W697-E706 CarbonylContact C-O 3.59Å; W697-E706 VanDerWaalsContact CA-O 3.22Å; W697-E706 WeakPolarHBondContact CA-O 3.23Å; D698-E706 HydrophobicContact CB-CB 4.4Å; D698-E706 PolarHBondContact N-O 2.89Å; D698-E706 PolarHBondContact O-N 3.38Å; S704-E706 PolarHBondContact O-N 3.41Å
707	F	83.1	Confident	78	Confident	54 Å²	54	52.9 Å²	52.9	24%	0.237	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.9	179.5	174.6	-97.9	0	0	0	110.1	T695 W697 G709 M760	T695-F707 HydrophobicContact CG2-CE2 3.92Å; W697-F707 HydrophobicContact CD2-CD2 4.37Å; W697-F707 AromaticContact CE2-CD2 3.97Å; W697-F707 HydrophobicContact CE3-CB 4.05Å; W697-F707 HydrophobicContact CH2-CB 4.19Å; W697-F707 HydrophobicContact CH2-CD2 4.17Å; W697-F707 AromaticContact CZ2-CD2 3.87Å; W697-F707 HydrophobicContact CZ2-CD2 3.87Å; W697-F707 HydrophobicContact CZ3-CB 3.86Å; F707-G709 WeakPolarHBondContact CE2-O 3.46Å; F707-G709 VanDerWaalsContact CZ-CA 3.46Å; F707-M760 HydrophobicContact CE2-CG 4.1Å; F707-M760 HydrophobicContact CZ-CG 3.86Å; F707-M760 HydrophobicContact CZ-SD 4.26Å
708	L	80.9	Confident	76.5	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-43.4	179.2	-62.3	178.8	0	0	0	111.3	K590 L633 M636 V696 D698	K590-L708 VanDerWaalsContact CB-O 3.29Å; K590-L708 WeakPolarHBondContact CB-O 3.15Å; K590-L708 VanDerWaalsContact CD-O 3.32Å; K590-L708 WeakPolarHBondContact CD-O 3.21Å; K590-L708 WeakPolarHBondContact CG-O 3.33Å; L633-L708 HydrophobicContact CD1-CD1 4.12Å; M636-L708 HydrophobicContact CE-CD2 4.38Å; M636-L708 HydrophobicContact CG-CD2 4.12Å; M636-L708 HydrophobicContact SD-CD2 3.78Å; V696-L708 HydrophobicContact CB-CB 4.39Å; V696-L708 HydrophobicContact CG1-CB 4.44Å; V696-L708 HydrophobicContact CG1-CD1 4.18Å; V696-L708 PolarHBondContact O-N 3.22Å; D698-L708 HydrophobicContact CB-CD1 4.15Å; D698-L708 HydrophobicContact CB-CD2 4.1Å; D698-L708 HydrophobicContact CB-CG 4.15Å
709	G	85.6	Confident	75.1	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	-178.7	177.9	0	0	0	0	0	112.8	V696 F707 R757	V696-G709 PolarHBondContact N-O 2.91Å; V696-G709 PolarHBondContact O-N 2.98Å; F707-G709 WeakPolarHBondContact CE2-O 3.46Å; F707-G709 VanDerWaalsContact CZ-CA 3.46Å; G709-R757 WeakPolarHBondContact CA-O 3.33Å
710	G	88.9	Confident	74.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	174.8	175.2	0	0	0	0	0	114.7	L694 R757 M760	L694-G710 CarbonylContact O-C 3.43Å; L694-G710 WeakPolarHBondContact O-CA 3.41Å; G710-R757 PolarHBondContact N-O 3.44Å; G710-R757 VanDerWaalsContact N-O 3.17Å; G710-R757 WeakPolarHBondContact O-CB 3.47Å; G710-R757 VanDerWaalsContact O-CG 3.29Å; G710-R757 WeakPolarHBondContact O-CG 3.38Å; G710-R757 PolarHBondContact O-N 3.12Å; G710-M760 VanDerWaalsContact CA-SD 3.53Å
711	V	90	Very high	73.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152	-179.9	-68.2	0	0	0	0	110.3	L593 L694 E735 L754 P755 L756	L593-V711 HydrophobicContact CD2-CG2 4.32Å; L694-V711 HydrophobicContact CB-CG2 3.86Å; L694-V711 HydrophobicContact CD1-CG2 4.29Å; L694-V711 HydrophobicContact CG-CG2 4.45Å; L694-V711 PolarHBondContact N-O 2.74Å; L694-V711 PolarHBondContact O-N 3.34Å; V711-E735 WeakPolarHBondContact CA-OE1 3.35Å; V711-E735 WeakPolarHBondContact CB-OE1 3.33Å; V711-L754 HydrophobicContact CB-CD1 4.39Å; V711-L754 HydrophobicContact CG1-CB 3.85Å; V711-L754 HydrophobicContact CG1-CD1 4.5Å; V711-L754 HydrophobicContact CG2-CD1 4.08Å; V711-P755 WeakPolarHBondContact CG1-O 3.47Å; V711-L756 HydrophobicContact CG1-CD2 4.35Å
712	R	89.3	Confident	73.4	Confident	10 Å²	10	52.9 Å²	52.9	4%	0.038	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	113	-178.3	-170	173.7	-73.3	147	2	110.1	C691 E693 E730 S731 E735 M760	C691-R712 WeakPolarHBondContact SG-CG 3.43Å; E693-R712 IonicContact OE2-CZ 3.13Å; E693-R712 IonicContact OE2-NE 3.31Å; E693-R712 PolarHBondContact OE2-NE 3.39Å; E693-R712 VanDerWaalsContact OE2-NE 3.13Å; E693-R712 IonicContact OE2-NH2 2.77Å; E693-R712 PolarHBondContact OE2-NH2 2.8Å; R712-E730 IonicContact NH1-OE2 3.94Å; R712-E730 PolarHBondContact NH1-OE2 3.26Å; R712-S731 WeakPolarHBondContact O-CB 3.34Å; R712-S731 PolarHBondContact O-OG 3.25Å; R712-E735 PolarHBondContact N-OE1 3.48Å; R712-E735 VanDerWaalsContact O-CD 3.25Å; R712-M760 HydrophobicContact CB-CE 3.92Å; R712-M760 PolarHBondContact NH2-O 2.92Å
713	L	89.1	Confident	73.9	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	119.4	-172.4	-69.1	153.2	0	0	0	110.1	I595 L597 C691 L692 L694 E735 L738 W739 L754	I595-L713 HydrophobicContact CD1-CD1 3.48Å; I595-L713 VanDerWaalsContact CD1-CD1 3.48Å; L597-L713 HydrophobicContact CD1-CD1 4.49Å; C691-L713 CarbonylContact C-O 3.6Å; C691-L713 WeakPolarHBondContact CA-O 3.16Å; L692-L713 HydrophobicContact CB-CB 4.17Å; L692-L713 HydrophobicContact CD2-CD1 3.94Å; L692-L713 HydrophobicContact CG-CD1 4.41Å; L692-L713 PolarHBondContact N-O 3.15Å; L692-L713 PolarHBondContact O-N 2.77Å; L694-L713 HydrophobicContact CD1-CD1 4.03Å; L713-E735 HydrophobicContact CD2-CB 3.93Å; L713-E735 HydrophobicContact CD2-CG 4.33Å; L713-E735 WeakPolarHBondContact CD2-O 3.45Å; L713-L738 HydrophobicContact CD2-CB 4.4Å; L713-L738 HydrophobicContact CD2-CD2 4.21Å; L713-W739 HydrophobicContact CB-CE3 3.83Å; L713-W739 HydrophobicContact CB-CZ3 4.32Å; L713-L754 HydrophobicContact CD1-CD1 4.15Å; L713-L754 HydrophobicContact CD2-CD1 3.83Å; L713-L754 HydrophobicContact CG-CD1 4.32Å
714	S	87.5	Confident	73.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	175.6	-179.3	75.1	0	0	0	0	110.7	G716 S731	S714-G716 PolarHBondContact O-N 2.97Å; S714-G716 PolarHBondContact OG-N 2.92Å; S714-S731 PolarHBondContact N-OG 2.67Å; S714-S731 WeakPolarHBondContact OG-CB 3.44Å; S714-S731 PolarHBondContact OG-OG 2.81Å
715	S	80.4	Confident	72.1	Confident	21 Å²	21	54 Å²	54	15%	0.147	30%	0.296	C	S	.	.			trans	-70.5	-0.9	173.9	-62.1	0	0	0	0	114.9	R688 K717 W739	R688-S715 PolarHBondContact O-OG 3.04Å; S715-K717 VanDerWaalsContact C-N 3.32Å; S715-K717 PolarHBondContact O-N 2.7Å; S715-W739 VanDerWaalsContact N-CD1 3.34Å
716	G	64.1	Low	71	Confident	27 Å²	27	56.7 Å²	56.7	28%	0.278	31%	0.307	S	S	.	.	S	Bend	trans	69.9	20.7	173.9	0	0	0	0	0	115.4	S714	S714-G716 PolarHBondContact O-N 2.97Å; S714-G716 PolarHBondContact OG-N 2.92Å
717	K	57.8	Low	69.8	Low	187 Å²	187	54 Å²	54	81%	0.813	30%	0.296	S	S	*	.	S	Bend	trans	-142.8	116	177.1	-69.9	-172.3	177.5	-177.5	0	110.7	S715	S715-K717 VanDerWaalsContact C-N 3.32Å; S715-K717 PolarHBondContact O-N 2.7Å
718	G	59.2	Low	68.7	Low	51 Å²	51	58.3 Å²	58.3	53%	0.526	32%	0.317	S	S	.	.	S	Bend	trans	119.3	-175.8	173.5	0	0	0	0	0	114.1	L729	G718-L729 VanDerWaalsContact O-CB 3.29Å; G718-L729 WeakPolarHBondContact O-CB 3.46Å; G718-L729 VanDerWaalsContact O-CG 3.32Å; G718-L729 WeakPolarHBondContact O-CG 3.24Å; G718-L729 PolarHBondContact O-N 3.4Å
719	S	57	Low	68	Low	61 Å²	61	59 Å²	59	43%	0.427	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	145.2	174	53.5	0	0	0	0	109.7	E726	S719-E726 WeakPolarHBondContact CB-OE1 3.12Å; S719-E726 PolarHBondContact OG-OE1 3.43Å
720	V	63.5	Low	67	Low	9 Å²	9	63.1 Å²	63.1	6%	0.055	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.5	178.6	170.5	0	0	0	0	109.9	F651 P652 E689 I722 V727 L729	F651-V720 HydrophobicContact CB-CG1 3.81Å; P652-V720 HydrophobicContact CB-CG1 3.9Å; P652-V720 HydrophobicContact CG-CG1 4.15Å; E689-V720 WeakPolarHBondContact O-CG2 3.31Å; V720-I722 PolarHBondContact O-N 3.25Å; V720-V727 PolarHBondContact N-O 2.99Å; V720-V727 PolarHBondContact O-N 3.33Å; V720-L729 HydrophobicContact CB-CD2 4.13Å; V720-L729 HydrophobicContact CG2-CD1 4.06Å; V720-L729 HydrophobicContact CG2-CD2 3.7Å; V720-L729 HydrophobicContact CG2-CG 4.09Å
721	K	56.9	Low	66.3	Low	139 Å²	139	63.5 Å²	63.5	60%	0.604	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	105.8	-179.2	-66.9	-175	178.1	-178.7	0	110.2	G723 E725 E726	K721-G723 PolarHBondContact O-N 3.42Å; K721-E725 CarbonylContact C-O 3.56Å; K721-E725 WeakPolarHBondContact CA-O 3.44Å; K721-E726 WeakPolarHBondContact CE-OE2 3.49Å; K721-E726 HydrophobicContact CG-CG 4.46Å; K721-E726 IonicContact NZ-OE2 3.69Å
722	I	59.4	Low	65.5	Low	48 Å²	48	68 Å²	68	25%	0.246	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	86.7	175.1	-59.2	-172.2	0	0	0	107.4	F651 V720 K724 E725 V727	F651-I722 HydrophobicContact CB-CG1 4.46Å; F651-I722 HydrophobicContact CD1-CD1 4.43Å; F651-I722 HydrophobicContact CD1-CG1 4.1Å; F651-I722 HydrophobicContact CD1-CG2 4.25Å; F651-I722 HydrophobicContact CD2-CD1 3.84Å; F651-I722 HydrophobicContact CD2-CG1 4.31Å; F651-I722 HydrophobicContact CE1-CG1 4.41Å; F651-I722 HydrophobicContact CE1-CG2 3.81Å; F651-I722 HydrophobicContact CE2-CD1 3.92Å; F651-I722 HydrophobicContact CG-CD1 4.1Å; F651-I722 HydrophobicContact CG-CG1 4.04Å; F651-I722 HydrophobicContact CZ-CD1 4.27Å; F651-I722 HydrophobicContact CZ-CG2 4.06Å; V720-I722 PolarHBondContact O-N 3.25Å; I722-K724 PolarHBondContact O-N 2.86Å; I722-K724 VanDerWaalsContact O-N 3.1Å; I722-E725 PolarHBondContact N-O 3.04Å; I722-E725 PolarHBondContact O-N 3.04Å; I722-V727 HydrophobicContact CB-CG2 4.06Å; I722-V727 HydrophobicContact CD1-CB 3.92Å; I722-V727 HydrophobicContact CD1-CG1 4.2Å; I722-V727 HydrophobicContact CD1-CG2 3.95Å; I722-V727 HydrophobicContact CG1-CB 4.19Å; I722-V727 HydrophobicContact CG1-CG2 4.09Å
723	G	61.9	Low	65.1	Low	76 Å²	76	69.9 Å²	69.9	78%	0.784	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-101.1	-177.2	0	0	0	0	0	112.6	K721	K721-G723 PolarHBondContact O-N 3.42Å
724	K	47.8	Very low	64.8	Low	223 Å²	223	75.5 Å²	75.5	97%	0.97	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-10.1	177.1	-73.6	-171.7	176.7	-177.2	0	113.8	I722	I722-K724 PolarHBondContact O-N 2.86Å; I722-K724 VanDerWaalsContact O-N 3.1Å
725	E	49.4	Very low	64.8	Low	92 Å²	92	75.8 Å²	75.8	43%	0.43	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.4	-176.2	-160.4	168.5	161	0	0	109.4	K721 I722 V727 T763	K721-E725 CarbonylContact C-O 3.56Å; K721-E725 WeakPolarHBondContact CA-O 3.44Å; I722-E725 PolarHBondContact N-O 3.04Å; I722-E725 PolarHBondContact O-N 3.04Å; E725-V727 HydrophobicContact CG-CG2 4.47Å; E725-T763 PolarHBondContact OE1-OG1 2.78Å
726	E	56.3	Low	65.1	Low	110 Å²	110	76.6 Å²	76.6	51%	0.514	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	110.6	177.1	-174.6	159.4	167	0	0	108	S719 K721	S719-E726 WeakPolarHBondContact CB-OE1 3.12Å; S719-E726 PolarHBondContact OG-OE1 3.43Å; K721-E726 WeakPolarHBondContact CE-OE2 3.49Å; K721-E726 HydrophobicContact CG-CG 4.46Å; K721-E726 IonicContact NZ-OE2 3.69Å
727	V	58.8	Low	66.3	Low	25 Å²	25	78.7 Å²	78.7	15%	0.152	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.6	-172	-179.9	0	0	0	0	108.6	V720 I722 E725	V720-V727 PolarHBondContact N-O 2.99Å; V720-V727 PolarHBondContact O-N 3.33Å; I722-V727 HydrophobicContact CB-CG2 4.06Å; I722-V727 HydrophobicContact CD1-CB 3.92Å; I722-V727 HydrophobicContact CD1-CG1 4.2Å; I722-V727 HydrophobicContact CD1-CG2 3.95Å; I722-V727 HydrophobicContact CG1-CB 4.19Å; I722-V727 HydrophobicContact CG1-CG2 4.09Å; E725-V727 HydrophobicContact CG-CG2 4.47Å
728	E	59.8	Low	67.8	Low	145 Å²	145	70.2 Å²	70.2	68%	0.678	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	144.5	178.4	-168.3	164.1	-168.4	0	0	110.9	E730	E728-E730 PolarHBondContact O-N 3.03Å
729	L	65	Low	69.4	Low	14 Å²	14	67.8 Å²	67.8	7%	0.073	37%	0.371	C	S	.	.			trans	-77.8	65.9	179.8	-68.3	-177.9	0	0	0	111.7	C691 G718 V720 S731	C691-L729 HydrophobicContact CB-CD2 3.63Å; G718-L729 VanDerWaalsContact O-CB 3.29Å; G718-L729 WeakPolarHBondContact O-CB 3.46Å; G718-L729 VanDerWaalsContact O-CG 3.32Å; G718-L729 WeakPolarHBondContact O-CG 3.24Å; G718-L729 PolarHBondContact O-N 3.4Å; V720-L729 HydrophobicContact CB-CD2 4.13Å; V720-L729 HydrophobicContact CG2-CD1 4.06Å; V720-L729 HydrophobicContact CG2-CD2 3.7Å; V720-L729 HydrophobicContact CG2-CG 4.09Å; L729-S731 PolarHBondContact O-N 2.9Å
730	E	64	Low	70.9	Confident	87 Å²	87	69.7 Å²	69.7	41%	0.407	37%	0.373	S	S	.	.			trans	-60.6	14.9	-179.3	-61.9	-176.6	143.5	0	0	115.5	R712 E728 R757	R712-E730 IonicContact NH1-OE2 3.94Å; R712-E730 PolarHBondContact NH1-OE2 3.26Å; E728-E730 PolarHBondContact O-N 3.03Å; E730-R757 PolarHBondContact O-NH1 2.95Å; E730-R757 PolarHBondContact O-NH2 3.2Å; E730-R757 IonicContact OE2-NH1 3.63Å
731	S	74.7	Confident	72.2	Confident	8 Å²	8	74.1 Å²	74.1	6%	0.056	39%	0.392	C	S	.	.			trans	-55.3	138.2	175.3	-63.5	0	0	0	0	110.9	R712 S714 L729 E735 I736	R712-S731 WeakPolarHBondContact O-CB 3.34Å; R712-S731 PolarHBondContact O-OG 3.25Å; S714-S731 PolarHBondContact N-OG 2.67Å; S714-S731 WeakPolarHBondContact OG-CB 3.44Å; S714-S731 PolarHBondContact OG-OG 2.81Å; L729-S731 PolarHBondContact O-N 2.9Å; S731-E735 WeakPolarHBondContact CA-OE2 3.48Å; S731-I736 WeakPolarHBondContact O-CD1 3.45Å
732	V	73.4	Confident	73.9	Confident	94 Å²	94	67.5 Å²	67.5	57%	0.57	36%	0.363	S	S	*	.			trans	-128.4	144.5	-178.7	-60.5	0	0	0	0	112.5	E734 E735	V732-E734 PolarHBondContact O-N 3.2Å; V732-E735 PolarHBondContact N-OE2 2.84Å; V732-E735 WeakPolarHBondContact O-CB 3.42Å; V732-E735 PolarHBondContact O-N 3.42Å
733	G	80.2	Confident	75.2	Confident	50 Å²	50	66.9 Å²	66.9	52%	0.515	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	-112.4	168.7	0	0	0	0	0	113.8	E735 I736 S737	G733-E735 VanDerWaalsContact C-N 3.27Å; G733-E735 PolarHBondContact O-N 3.34Å; G733-I736 WeakPolarHBondContact O-CB 3.42Å; G733-I736 PolarHBondContact O-N 3.2Å; G733-S737 PolarHBondContact O-N 3Å; G733-S737 PolarHBondContact O-OG 2.96Å
734	E	83.3	Confident	76.4	Confident	119 Å²	119	69.4 Å²	69.4	56%	0.556	35%	0.351	S	S	*	.	H	α-helix	trans	-58.1	-32.2	-176.9	-59.2	-179.7	130.2	0	0	113.7	V732 S737 L738 L754	V732-E734 PolarHBondContact O-N 3.2Å; E734-S737 PolarHBondContact O-N 2.9Å; E734-L738 VanDerWaalsContact O-CB 3.25Å; E734-L738 WeakPolarHBondContact O-CB 3.49Å; E734-L738 PolarHBondContact O-N 2.95Å; E734-L754 HydrophobicContact CB-CD2 3.98Å
735	E	87.8	Confident	78.3	Confident	6 Å²	6	64.9 Å²	64.9	3%	0.028	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-44.1	175	-66.8	168.6	140.6	0	0	111	V711 R712 L713 S731 V732 G733 W739 L754 R757	V711-E735 WeakPolarHBondContact CA-OE1 3.35Å; V711-E735 WeakPolarHBondContact CB-OE1 3.33Å; R712-E735 PolarHBondContact N-OE1 3.48Å; R712-E735 VanDerWaalsContact O-CD 3.25Å; L713-E735 HydrophobicContact CD2-CB 3.93Å; L713-E735 HydrophobicContact CD2-CG 4.33Å; L713-E735 WeakPolarHBondContact CD2-O 3.45Å; S731-E735 WeakPolarHBondContact CA-OE2 3.48Å; V732-E735 PolarHBondContact N-OE2 2.84Å; V732-E735 WeakPolarHBondContact O-CB 3.42Å; V732-E735 PolarHBondContact O-N 3.42Å; G733-E735 VanDerWaalsContact C-N 3.27Å; G733-E735 PolarHBondContact O-N 3.34Å; E735-W739 PolarHBondContact O-N 2.63Å; E735-L754 HydrophobicContact CG-CD2 4.14Å; E735-R757 IonicContact OE1-CZ 3.97Å; E735-R757 IonicContact OE1-NE 2.91Å; E735-R757 PolarHBondContact OE1-NE 3.3Å; E735-R757 VanDerWaalsContact OE1-NE 3.08Å; E735-R757 IonicContact OE1-NH2 3.46Å; E735-R757 PolarHBondContact OE1-NH2 2.97Å; E735-R757 IonicContact OE2-CZ 2.72Å; E735-R757 IonicContact OE2-NE 3.9Å; E735-R757 IonicContact OE2-NH2 3.83Å; E735-R757 PolarHBondContact OE2-NH2 2.9Å
736	I	86.9	Confident	80.1	Confident	37 Å²	37	63.1 Å²	63.1	19%	0.19	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-47.6	176.1	-58.4	175.3	0	0	0	109.4	S731 G733 L738 W739 Q740	S731-I736 WeakPolarHBondContact O-CD1 3.45Å; G733-I736 WeakPolarHBondContact O-CB 3.42Å; G733-I736 PolarHBondContact O-N 3.2Å; I736-L738 VanDerWaalsContact C-N 3.3Å; I736-L738 PolarHBondContact O-N 3.41Å; I736-W739 PolarHBondContact O-N 3.09Å; I736-Q740 HydrophobicContact CG2-CG 4.1Å; I736-Q740 VanDerWaalsContact CG2-NE2 3.27Å; I736-Q740 WeakPolarHBondContact O-CB 3.5Å; I736-Q740 WeakPolarHBondContact O-CG 3.36Å; I736-Q740 PolarHBondContact O-N 2.96Å
737	S	88.8	Confident	81.6	Confident	72 Å²	72	60.6 Å²	60.6	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-39.9	-178.5	-58.1	0	0	0	0	112.3	G733 E734 K741	G733-S737 PolarHBondContact O-N 3Å; G733-S737 PolarHBondContact O-OG 2.96Å; E734-S737 PolarHBondContact O-N 2.9Å; S737-K741 WeakPolarHBondContact O-CB 3.33Å; S737-K741 PolarHBondContact O-N 3.24Å
738	L	90.5	Very high	83.1	Confident	8 Å²	8	62.4 Å²	62.4	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-68.5	-43.8	178.3	-171.6	63.8	0	0	0	112	I595 L597 L713 E734 I736 K741 M742 A750 E751 L754	I595-L738 HydrophobicContact CD1-CD2 3.89Å; I595-L738 HydrophobicContact CG1-CD2 3.77Å; L597-L738 HydrophobicContact CD1-CD2 4.18Å; L597-L738 HydrophobicContact CD1-CG 3.96Å; L597-L738 HydrophobicContact CG-CD2 4.28Å; L597-L738 HydrophobicContact CG-CG 4.29Å; L713-L738 HydrophobicContact CD2-CB 4.4Å; L713-L738 HydrophobicContact CD2-CD2 4.21Å; E734-L738 VanDerWaalsContact O-CB 3.25Å; E734-L738 WeakPolarHBondContact O-CB 3.49Å; E734-L738 PolarHBondContact O-N 2.95Å; I736-L738 VanDerWaalsContact C-N 3.3Å; I736-L738 PolarHBondContact O-N 3.41Å; L738-K741 PolarHBondContact O-N 3.31Å; L738-M742 PolarHBondContact O-N 3.36Å; L738-A750 HydrophobicContact CD1-CB 4.09Å; L738-A750 WeakPolarHBondContact CD1-O 3.3Å; L738-E751 VanDerWaalsContact CD1-C 3.48Å; L738-L754 HydrophobicContact CD2-CD1 3.97Å; L738-L754 HydrophobicContact CD2-CD2 4.24Å; L738-L754 HydrophobicContact CD2-CG 4.3Å
739	W	91.4	Very high	84.7	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-45.3	176.3	-166.9	-102.4	0	0	0	111.7	L597 L623 L650 L687 M690 L692 L713 S715 E735 I736 M742 M743	L597-W739 HydrophobicContact CD1-CE3 3.85Å; L597-W739 HydrophobicContact CD1-CZ3 4.37Å; L623-W739 HydrophobicContact CD2-CH2 3.92Å; L623-W739 HydrophobicContact CD2-CZ3 4.22Å; L650-W739 HydrophobicContact CD1-CH2 4.35Å; L687-W739 HydrophobicContact CD1-CH2 3.66Å; L687-W739 HydrophobicContact CD1-CZ2 3.5Å; L687-W739 VanDerWaalsContact CD1-CZ2 3.5Å; L687-W739 HydrophobicContact CG-CH2 4.42Å; L687-W739 HydrophobicContact CG-CZ2 3.84Å; L687-W739 WeakPolarHBondContact O-CZ2 3.49Å; L687-W739 PolarHBondContact O-NE1 2.78Å; L687-W739 VanDerWaalsContact O-NE1 3.17Å; M690-W739 HydrophobicContact CB-CZ2 4.25Å; L692-W739 HydrophobicContact CB-CH2 3.94Å; L692-W739 HydrophobicContact CB-CZ3 3.65Å; L692-W739 HydrophobicContact CD2-CZ3 4.02Å; L713-W739 HydrophobicContact CB-CE3 3.83Å; L713-W739 HydrophobicContact CB-CZ3 4.32Å; S715-W739 VanDerWaalsContact N-CD1 3.34Å; E735-W739 PolarHBondContact O-N 2.63Å; I736-W739 PolarHBondContact O-N 3.09Å; W739-M742 HydrophobicContact CD2-CE 3.65Å; W739-M742 HydrophobicContact CE3-CE 3.64Å; W739-M742 HydrophobicContact CE3-SD 4.42Å; W739-M742 HydrophobicContact CG-CE 4.24Å; W739-M742 HydrophobicContact CH2-CE 4.15Å; W739-M742 HydrophobicContact CZ2-CE 4.14Å; W739-M742 HydrophobicContact CZ3-CE 3.89Å; W739-M742 HydrophobicContact CZ3-SD 4.44Å; W739-M742 PolarHBondContact O-N 2.89Å; W739-M743 WeakPolarHBondContact O-CG 3.31Å; W739-M743 PolarHBondContact O-N 3.02Å; W739-M743 VanDerWaalsContact O-N 3.11Å
740	Q	89.3	Confident	86	Confident	101 Å²	101	60.4 Å²	60.4	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-41.7	176.5	-71.3	179.6	-2.1	0	0	112.2	I736 M742 M743 Q744	I736-Q740 HydrophobicContact CG2-CG 4.1Å; I736-Q740 VanDerWaalsContact CG2-NE2 3.27Å; I736-Q740 WeakPolarHBondContact O-CB 3.5Å; I736-Q740 WeakPolarHBondContact O-CG 3.36Å; I736-Q740 PolarHBondContact O-N 2.96Å; Q740-M742 PolarHBondContact O-N 3.02Å; Q740-M743 PolarHBondContact O-N 2.91Å; Q740-M743 VanDerWaalsContact O-N 3.17Å; Q740-Q744 WeakPolarHBondContact O-CB 3.26Å; Q740-Q744 PolarHBondContact O-N 3.05Å
741	K	89.8	Confident	87.4	Confident	102 Å²	102	60.5 Å²	60.5	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-40.7	177	-175.6	179.5	178.2	-176.4	0	112.1	S737 L738 Q744 Y745 A750	S737-K741 WeakPolarHBondContact O-CB 3.33Å; S737-K741 PolarHBondContact O-N 3.24Å; L738-K741 PolarHBondContact O-N 3.31Å; K741-Q744 PolarHBondContact O-N 3.02Å; K741-Y745 HydrophobicContact CG-CD2 4.23Å; K741-Y745 WeakPolarHBondContact O-CD2 3.45Å; K741-Y745 PolarHBondContact O-N 2.96Å; K741-Y745 VanDerWaalsContact O-N 3.11Å; K741-A750 HydrophobicContact CB-CB 4.17Å; K741-A750 HydrophobicContact CD-CB 4.1Å; K741-A750 HydrophobicContact CG-CB 3.89Å
742	M	92.5	Very high	88	Confident	1 Å²	1	61 Å²	61	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-60.5	-44.6	172.1	173.3	-157.6	62.6	0	0	111.9	L597 L623 L687 L738 W739 Q740 Y745 A750	L597-M742 HydrophobicContact CB-CB 3.95Å; L597-M742 HydrophobicContact CB-CG 3.89Å; L597-M742 HydrophobicContact CB-SD 3.7Å; L597-M742 HydrophobicContact CD1-SD 4.11Å; L597-M742 HydrophobicContact CG-SD 4.47Å; L623-M742 HydrophobicContact CD1-CE 4.33Å; L623-M742 HydrophobicContact CD1-SD 3.3Å; L623-M742 WeakPolarHBondContact CD1-SD 3.27Å; L687-M742 HydrophobicContact CD1-CE 4.4Å; L687-M742 HydrophobicContact CD2-CE 3.68Å; L687-M742 HydrophobicContact CG-CE 4.11Å; L738-M742 PolarHBondContact O-N 3.36Å; W739-M742 HydrophobicContact CD2-CE 3.65Å; W739-M742 HydrophobicContact CE3-CE 3.64Å; W739-M742 HydrophobicContact CE3-SD 4.42Å; W739-M742 HydrophobicContact CG-CE 4.24Å; W739-M742 HydrophobicContact CH2-CE 4.15Å; W739-M742 HydrophobicContact CZ2-CE 4.14Å; W739-M742 HydrophobicContact CZ3-CE 3.89Å; W739-M742 HydrophobicContact CZ3-SD 4.44Å; W739-M742 PolarHBondContact O-N 2.89Å; Q740-M742 PolarHBondContact O-N 3.02Å; M742-Y745 CarbonylContact O-C 3.54Å; M742-A750 HydrophobicContact CB-CB 4.08Å
743	M	87.2	Confident	88.8	Confident	34 Å²	34	59.2 Å²	59.2	17%	0.167	31%	0.311	C	S	.	.	H	α-helix	trans	-70.2	-31.5	179.2	-66.3	-177.5	77.6	0	0	113.1	L684 L687 R688 W739 Q740	L684-M743 VanDerWaalsContact O-CE 3.32Å; L684-M743 WeakPolarHBondContact O-CE 3.45Å; L687-M743 HydrophobicContact CB-CE 4.42Å; L687-M743 HydrophobicContact CD2-CG 4.19Å; R688-M743 HydrophobicContact CB-CE 3.86Å; R688-M743 HydrophobicContact CG-CE 4.23Å; W739-M743 WeakPolarHBondContact O-CG 3.31Å; W739-M743 PolarHBondContact O-N 3.02Å; W739-M743 VanDerWaalsContact O-N 3.11Å; Q740-M743 PolarHBondContact O-N 2.91Å; Q740-M743 VanDerWaalsContact O-N 3.17Å
744	Q	88.3	Confident	89.3	Confident	130 Å²	130	56.9 Å²	56.9	61%	0.607	29%	0.287	S	S	*	.	H	α-helix	trans	-74.5	-33.5	179.3	-173.8	176.6	33.2	0	0	112.6	Q740 K741 P746	Q740-Q744 WeakPolarHBondContact O-CB 3.26Å; Q740-Q744 PolarHBondContact O-N 3.05Å; K741-Q744 PolarHBondContact O-N 3.02Å; Q744-P746 VanDerWaalsContact O-CD 3.25Å; Q744-P746 WeakPolarHBondContact O-CD 3.39Å
745	Y	87.9	Confident	89.4	Confident	128 Å²	128	54.4 Å²	54.4	50%	0.502	28%	0.281	S	S	.	.	S	Bend	trans	-119	70.1	-178.7	-59.3	-75.3	0	0	0	111.1	K741 M742 S748	K741-Y745 HydrophobicContact CG-CD2 4.23Å; K741-Y745 WeakPolarHBondContact O-CD2 3.45Å; K741-Y745 PolarHBondContact O-N 2.96Å; K741-Y745 VanDerWaalsContact O-N 3.11Å; M742-Y745 CarbonylContact O-C 3.54Å; Y745-S748 VanDerWaalsContact O-CB 3.32Å; Y745-S748 WeakPolarHBondContact O-CB 3.46Å; Y745-S748 PolarHBondContact O-N 3.48Å
746	P	85.5	Confident	89.3	Confident	54 Å²	54	54.4 Å²	54.4	35%	0.351	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	151.7	173.5	24.6	-33.8	0	0	0	111.4	Y599 T601 Q744 S748	Y599-P746 HydrophobicContact CD1-CB 4.31Å; T601-P746 HydrophobicContact CG2-CB 3.67Å; T601-P746 HydrophobicContact CG2-CG 4.41Å; Q744-P746 VanDerWaalsContact O-CD 3.25Å; Q744-P746 WeakPolarHBondContact O-CD 3.39Å; P746-S748 PolarHBondContact O-N 2.74Å
747	D	87.6	Confident	89.2	Confident	57 Å²	57	55 Å²	55	31%	0.305	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	-0	-173.6	-73.1	-76.7	0	0	0	116.1	K598 Y599 V600 T601	K598-D747 WeakPolarHBondContact CE-O 3.31Å; K598-D747 PolarHBondContact NZ-O 2.85Å; Y599-D747 PolarHBondContact O-N 2.68Å; V600-D747 WeakPolarHBondContact CA-OD1 3.37Å; T601-D747 WeakPolarHBondContact CB-OD2 3.21Å; T601-D747 PolarHBondContact N-OD2 3.38Å; T601-D747 PolarHBondContact OG1-OD2 2.66Å
748	S	92.1	Very high	88.4	Confident	64 Å²	64	54.1 Å²	54.1	45%	0.448	28%	0.275	S	S	.	.	S	Bend	trans	-95.3	164.5	167.8	-162.6	0	0	0	0	112	K598 Y745 P746	K598-S748 VanDerWaalsContact CB-O 3.25Å; K598-S748 WeakPolarHBondContact CB-O 3.46Å; K598-S748 VanDerWaalsContact CG-O 3.28Å; K598-S748 WeakPolarHBondContact CG-O 3.26Å; Y745-S748 VanDerWaalsContact O-CB 3.32Å; Y745-S748 WeakPolarHBondContact O-CB 3.46Å; Y745-S748 PolarHBondContact O-N 3.48Å; P746-S748 PolarHBondContact O-N 2.74Å
749	W	92.1	Very high	87.7	Confident	114 Å²	114	57.4 Å²	57.4	43%	0.432	30%	0.299	S	S	.	.			trans	-98.4	115.8	171.3	-73.5	108.3	0	0	0	110.3	S596 K598 H624 L626 T676	S596-W749 WeakPolarHBondContact O-CZ3 3.26Å; K598-W749 HydrophobicContact CB-CD2 3.67Å; K598-W749 HydrophobicContact CB-CE3 3.37Å; K598-W749 HydrophobicContact CB-CG 4.31Å; K598-W749 HydrophobicContact CB-CH2 4.21Å; K598-W749 HydrophobicContact CB-CZ2 4.45Å; K598-W749 HydrophobicContact CB-CZ3 3.66Å; K598-W749 HydrophobicContact CD-CD2 3.94Å; K598-W749 HydrophobicContact CD-CE3 4.47Å; K598-W749 HydrophobicContact CD-CG 4.2Å; K598-W749 HydrophobicContact CD-CZ2 4.24Å; K598-W749 HydrophobicContact CG-CD2 4.45Å; H624-W749 HydrophobicContact CB-CH2 3.87Å; H624-W749 HydrophobicContact CB-CZ3 4.2Å; L626-W749 HydrophobicContact CB-CH2 4.05Å; L626-W749 HydrophobicContact CB-CZ3 3.87Å; T676-W749 HydrophobicContact CG2-CH2 4.47Å
750	A	92.9	Very high	86.8	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.025	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	102.9	167.3	0	0	0	0	0	109	S596 L597 L738 K741 M742	S596-A750 CarbonylContact C-O 3.55Å; S596-A750 WeakPolarHBondContact CA-O 3.38Å; L597-A750 PolarHBondContact N-O 2.94Å; L597-A750 PolarHBondContact O-N 2.69Å; L738-A750 HydrophobicContact CD1-CB 4.09Å; L738-A750 WeakPolarHBondContact CD1-O 3.3Å; K741-A750 HydrophobicContact CB-CB 4.17Å; K741-A750 HydrophobicContact CD-CB 4.1Å; K741-A750 HydrophobicContact CG-CB 3.89Å; M742-A750 HydrophobicContact CB-CB 4.08Å
751	E	93.3	Very high	85.2	Confident	89 Å²	89	55.7 Å²	55.7	42%	0.416	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	144.6	173.3	-174.5	159	142.2	0	0	112.1	I595 S596 K628 L738	I595-E751 WeakPolarHBondContact O-CA 3.41Å; S596-E751 PolarHBondContact OG-OE2 2.85Å; K628-E751 WeakPolarHBondContact CD-OE2 3.44Å; K628-E751 IonicContact NZ-OE1 3.58Å; K628-E751 PolarHBondContact NZ-OE1 2.77Å; K628-E751 IonicContact NZ-OE2 2.67Å; K628-E751 PolarHBondContact NZ-OE2 3.26Å; L738-E751 VanDerWaalsContact CD1-C 3.48Å
752	G	87.8	Confident	82.9	Confident	17 Å²	17	60 Å²	60	18%	0.175	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	154.4	174.9	0	0	0	0	0	112.5	I595	I595-G752 PolarHBondContact N-O 3Å; I595-G752 PolarHBondContact O-N 2.99Å; I595-G752 VanDerWaalsContact O-O 3.11Å
753	T	90.4	Very high	80.1	Confident	57 Å²	57	64.3 Å²	64.3	35%	0.35	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.8	167.6	-59.2	0	0	0	0	107	E592 V594	E592-T753 HydrophobicContact CB-CG2 3.72Å; E592-T753 HydrophobicContact CG-CG2 4.01Å; E592-T753 WeakPolarHBondContact OE2-CG2 3.26Å; V594-T753 HydrophobicContact CG2-CG2 4.11Å
754	L	89.2	Confident	77.3	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	130.7	-172.2	-57.9	169.7	0	0	0	110.7	E592 L593 I595 V711 L713 E734 E735 L738	E592-L754 CarbonylContact C-O 3.56Å; E592-L754 VanDerWaalsContact CA-O 3.28Å; E592-L754 WeakPolarHBondContact CA-O 3.17Å; L593-L754 PolarHBondContact N-O 2.9Å; L593-L754 PolarHBondContact O-N 3.37Å; I595-L754 HydrophobicContact CD1-CD1 3.71Å; I595-L754 HydrophobicContact CG1-CD1 4.18Å; V711-L754 HydrophobicContact CB-CD1 4.39Å; V711-L754 HydrophobicContact CG1-CB 3.85Å; V711-L754 HydrophobicContact CG1-CD1 4.5Å; V711-L754 HydrophobicContact CG2-CD1 4.08Å; L713-L754 HydrophobicContact CD1-CD1 4.15Å; L713-L754 HydrophobicContact CD2-CD1 3.83Å; L713-L754 HydrophobicContact CG-CD1 4.32Å; E734-L754 HydrophobicContact CB-CD2 3.98Å; E735-L754 HydrophobicContact CG-CD2 4.14Å; L738-L754 HydrophobicContact CD2-CD1 3.97Å; L738-L754 HydrophobicContact CD2-CD2 4.24Å; L738-L754 HydrophobicContact CD2-CG 4.3Å
755	P	86	Confident	74.5	Confident	68 Å²	68	69.4 Å²	69.4	44%	0.442	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.9	177.8	28.5	-34	0	0	0	111.5	V711 R757	V711-P755 WeakPolarHBondContact CG1-O 3.47Å; P755-R757 PolarHBondContact O-N 2.88Å
756	L	86.7	Confident	71.7	Confident	5 Å²	5	76.8 Å²	76.8	3%	0.026	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-75.5	122.2	-178.2	-71.4	171.3	0	0	0	111.8	K590 G591 L593 L633 V696 V711	K590-L756 HydrophobicContact CB-CB 3.77Å; G591-L756 WeakPolarHBondContact O-CB 3.1Å; G591-L756 PolarHBondContact O-N 3.14Å; L593-L756 HydrophobicContact CB-CD2 4.02Å; L593-L756 HydrophobicContact CB-CG 4.45Å; L633-L756 HydrophobicContact CD2-CD1 3.42Å; L633-L756 VanDerWaalsContact CD2-CD1 3.42Å; V696-L756 HydrophobicContact CG2-CD1 4.03Å; V696-L756 HydrophobicContact CG2-CD2 3.67Å; V711-L756 HydrophobicContact CG1-CD2 4.35Å
757	R	83.3	Confident	71	Confident	49 Å²	49	78 Å²	78	19%	0.185	43%	0.426	C	S	.	.	B	Isolated β-bridge	trans	-66.2	138.4	173.9	-58.1	169.5	175.2	-115.1	-10.3	110.6	G709 G710 E730 E735 P755 S759 M760	G709-R757 WeakPolarHBondContact CA-O 3.33Å; G710-R757 PolarHBondContact N-O 3.44Å; G710-R757 VanDerWaalsContact N-O 3.17Å; G710-R757 WeakPolarHBondContact O-CB 3.47Å; G710-R757 VanDerWaalsContact O-CG 3.29Å; G710-R757 WeakPolarHBondContact O-CG 3.38Å; G710-R757 PolarHBondContact O-N 3.12Å; E730-R757 PolarHBondContact O-NH1 2.95Å; E730-R757 PolarHBondContact O-NH2 3.2Å; E730-R757 IonicContact OE2-NH1 3.63Å; E735-R757 IonicContact OE1-CZ 3.97Å; E735-R757 IonicContact OE1-NE 2.91Å; E735-R757 PolarHBondContact OE1-NE 3.3Å; E735-R757 VanDerWaalsContact OE1-NE 3.08Å; E735-R757 IonicContact OE1-NH2 3.46Å; E735-R757 PolarHBondContact OE1-NH2 2.97Å; E735-R757 IonicContact OE2-CZ 2.72Å; E735-R757 IonicContact OE2-NE 3.9Å; E735-R757 IonicContact OE2-NH2 3.83Å; E735-R757 PolarHBondContact OE2-NH2 2.9Å; P755-R757 PolarHBondContact O-N 2.88Å; R757-S759 PolarHBondContact O-N 3.25Å; R757-M760 HydrophobicContact CB-SD 4.42Å
758	S	71.9	Confident	70.1	Confident	54 Å²	54	79.1 Å²	79.1	38%	0.378	43%	0.433	S	S	.	.	S	Bend	trans	-69.1	-9.2	175.7	-74.7	0	0	0	0	114.8	Q588 K590	Q588-S758 PolarHBondContact O-OG 3.1Å; K590-S758 WeakPolarHBondContact CE-OG 3.46Å; K590-S758 WeakPolarHBondContact CG-OG 3.48Å; K590-S758 PolarHBondContact NZ-OG 3.11Å
759	S	75.8	Confident	68.9	Low	78 Å²	78	79.9 Å²	79.9	55%	0.545	43%	0.432	S	S	.	.			trans	-163.6	149.1	175.1	179.9	0	0	0	0	109.4	R757 G761	R757-S759 PolarHBondContact O-N 3.25Å; S759-G761 VanDerWaalsContact C-N 3.31Å; S759-G761 PolarHBondContact OG-N 2.96Å
760	M	73.3	Confident	67.5	Low	19 Å²	19	77.9 Å²	77.9	9%	0.094	43%	0.432	C	S	.	.			trans	-90.2	7.4	173.2	-59.6	-45.8	-59.2	0	0	113.7	E693 T695 F707 G710 R712 R757	E693-M760 HydrophobicContact CG-CE 4.06Å; T695-M760 HydrophobicContact CG2-CG 3.78Å; T695-M760 HydrophobicContact CG2-SD 4.41Å; F707-M760 HydrophobicContact CE2-CG 4.1Å; F707-M760 HydrophobicContact CZ-CG 3.86Å; F707-M760 HydrophobicContact CZ-SD 4.26Å; G710-M760 VanDerWaalsContact CA-SD 3.53Å; R712-M760 HydrophobicContact CB-CE 3.92Å; R712-M760 PolarHBondContact NH2-O 2.92Å; R757-M760 HydrophobicContact CB-SD 4.42Å
761	G	56.7	Low	65.9	Low	45 Å²	45	82.6 Å²	82.6	46%	0.464	46%	0.458	S	S	.	.			trans	82.6	136	-177.4	0	0	0	0	0	113.1	S759	S759-G761 VanDerWaalsContact C-N 3.31Å; S759-G761 PolarHBondContact OG-N 2.96Å
762	K	40.1	Very low	64.1	Low	192 Å²	192	82.1 Å²	82.1	84%	0.835	46%	0.46	S	S	*	.			trans	-134.1	100.7	151.5	-76.1	-165.5	176.4	-171.9	0	106.2	K764	K762-K764 VanDerWaalsContact C-N 3.27Å; K762-K764 PolarHBondContact O-N 2.81Å
763	T	33.5	Very low	62.4	Low	92 Å²	92	86.8 Å²	86.8	56%	0.564	48%	0.481	S	S	*	.			trans	-62.1	87.1	173.5	24.1	0	0	0	0	109.4	E725 G765	E725-T763 PolarHBondContact OE1-OG1 2.78Å; T763-G765 VanDerWaalsContact C-N 3.32Å; T763-G765 PolarHBondContact O-N 2.76Å
764	K	28.2	Very low	60.3	Low	200 Å²	200	89.1 Å²	89.1	87%	0.87	49%	0.491	S	S	*	.			trans	-61.8	99	166	-75.3	-174.1	177.4	-179.6	0	107.8	K762	K762-K764 VanDerWaalsContact C-N 3.27Å; K762-K764 PolarHBondContact O-N 2.81Å
765	G	30.9	Very low	57.8	Low	72 Å²	72	96.4 Å²	96.4	74%	0.742	53%	0.531	S	S	*	.			trans	-49.9	139.9	165.8	0	0	0	0	0	109.9	T763	T763-G765 VanDerWaalsContact C-N 3.32Å; T763-G765 PolarHBondContact O-N 2.76Å
766	K	27.9	Very low	55.3	Low	283 Å²	283	99 Å²	99	100%	1.23	54%	0.539	S	S	*	.			trans	-70.7	0	177.7	-70.4	179.4	176	176	0	111.2

Retrieved 766 of 766 residues in 1160.2 ms (Link to these results)

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