A0A087Y018_POEFO Loading...

Inactive carboxypeptidase-like protein X2

May be involved in cell-cell interactions.

AlphaFold DB , UniProt , Accession A0A087Y018, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 750 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	32.3	Very low	33.4	Very low	227 Å²	227	139.6 Å²	139.6	100%	1.118	80%	0.798	S	S	*	*				0	103.1	0	-61.4	169	87.4	0	0	105.8
2	T	33.1	Very low	32.9	Very low	139 Å²	139	141.1 Å²	141.1	85%	0.853	80%	0.8	S	S	*	*				60.3	116.4	77	61.6	0	0	0	0	111.6
3	G	31.4	Very low	32.3	Very low	75 Å²	75	136.2 Å²	136.2	77%	0.773	79%	0.788	S	S	*	*			cis	-163	-151.8	-4.3	0	0	0	0	0	107.5
4	Q	35.6	Very low	32	Very low	177 Å²	177	137 Å²	137	83%	0.827	79%	0.787	S	S	*	*			cis	-152.9	161.5	-2.6	-77.6	-173.2	-82.6	0	0	109.2
5	L	36.1	Very low	31.7	Very low	140 Å²	140	135.5 Å²	135.5	73%	0.733	77%	0.774	S	S	*	*			trans	6.3	154.4	138.9	-58.9	106.5	0	0	0	120
6	L	30.7	Very low	31.5	Very low	149 Å²	149	137.9 Å²	137.9	78%	0.78	78%	0.783	S	S	*	*			cis	-154.1	170.3	24	-128.4	142.7	0	0	0	112.2
7	S	31.6	Very low	31.4	Very low	91 Å²	91	138.7 Å²	138.7	64%	0.636	78%	0.776	S	S	*	*			trans	-72.2	170.8	176.4	58.3	0	0	0	0	115.4
8	L	29	Very low	31.4	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	78%	0.78	S	S	*	*				-171.1	124.5	129.7	-98.6	158.2	0	0	0	114
9	L	27.6	Very low	31.1	Very low	156 Å²	156	134.3 Å²	134.3	82%	0.817	77%	0.768	S	S	*	*			trans	47	127.8	148.3	-66.6	172	0	0	0	124.6
10	T	31.2	Very low	31	Very low	124 Å²	124	137.6 Å²	137.6	76%	0.761	77%	0.773	S	S	*	*			trans	-84.4	-178.4	147.6	53.1	0	0	0	0	109.7
11	P	49.1	Very low	30.8	Very low	104 Å²	104	135 Å²	135	68%	0.675	77%	0.769	S	S	*	*			cis	-148.3	-167.5	16.8	43.7	-21.4	0	0	0	118.1
12	L	26.9	Very low	30.6	Very low	157 Å²	157	131.1 Å²	131.1	82%	0.822	75%	0.753	S	S	*	*			trans	78.1	131.1	149.2	-110.2	76	0	0	0	122.5
13	A	25.5	Very low	30.2	Very low	78 Å²	78	131 Å²	131	65%	0.645	75%	0.747	S	S	*	*				69.8	145.3	126.6	0	0	0	0	0	121.2
14	L	28.1	Very low	29.9	Very low	147 Å²	147	133.2 Å²	133.2	77%	0.77	75%	0.745	S	S	*	*			cis	-162.3	166.2	-12.5	-138.6	66.7	0	0	0	110.4
15	L	28.2	Very low	29.4	Very low	114 Å²	114	133.4 Å²	133.4	60%	0.597	75%	0.751	S	S	*	*			trans	61.8	135.4	150.7	-73	169.2	0	0	0	123.3	F17	L15-F17 HydrophobicContact CD1-CD2 3.81Å; L15-F17 HydrophobicContact CD1-CE2 3.57Å; L15-F17 HydrophobicContact CD2-CD2 3.61Å; L15-F17 HydrophobicContact CD2-CE2 3.53Å; L15-F17 HydrophobicContact CD2-CG 4.4Å; L15-F17 HydrophobicContact CD2-CZ 4.27Å; L15-F17 HydrophobicContact CG-CD2 4.23Å; L15-F17 HydrophobicContact CG-CE2 4.18Å
16	L	27.8	Very low	28.8	Very low	175 Å²	175	131 Å²	131	92%	0.916	75%	0.752	S	S	*	*				-126.5	126.1	129.1	-94	165	0	0	0	108.5
17	F	30	Very low	28.7	Very low	151 Å²	151	129.2 Å²	129.2	66%	0.662	75%	0.751	S	S	*	*			trans	-84.7	171.3	162.7	-88.9	-81	0	0	0	108.9	L15	L15-F17 HydrophobicContact CD1-CD2 3.81Å; L15-F17 HydrophobicContact CD1-CE2 3.57Å; L15-F17 HydrophobicContact CD2-CD2 3.61Å; L15-F17 HydrophobicContact CD2-CE2 3.53Å; L15-F17 HydrophobicContact CD2-CG 4.4Å; L15-F17 HydrophobicContact CD2-CZ 4.27Å; L15-F17 HydrophobicContact CG-CD2 4.23Å; L15-F17 HydrophobicContact CG-CE2 4.18Å
18	V	30.8	Very low	28.3	Very low	139 Å²	139	131.8 Å²	131.8	84%	0.842	76%	0.763	S	S	*	*			cis	-156.4	154	40.2	175	0	0	0	0	107.1
19	G	26.6	Very low	28.1	Very low	54 Å²	54	132.7 Å²	132.7	56%	0.557	76%	0.763	S	S	*	*			cis	154.9	168.3	-2.1	0	0	0	0	0	111.1
20	F	28.1	Very low	28.1	Very low	200 Å²	200	134.3 Å²	134.3	88%	0.877	77%	0.767	S	S	*	*			trans	31	130	158.6	-63	-83.9	0	0	0	120.5
21	A	27	Very low	28	Very low	83 Å²	83	135.2 Å²	135.2	69%	0.686	77%	0.767	S	S	*	*			cis	-161	-177	3.1	0	0	0	0	0	108.3
22	D	27.5	Very low	27.1	Very low	146 Å²	146	138.8 Å²	138.8	78%	0.781	78%	0.775	S	S	*	*			cis	-141.7	-131.8	6.3	-153.7	-9.5	0	0	0	109.1
23	L	25.8	Very low	27.3	Very low	138 Å²	138	137.4 Å²	137.4	72%	0.723	77%	0.768	S	S	*	*			cis	-152.3	118.3	1.9	-149.6	160.9	0	0	0	110.1
24	T	25.4	Very low	27.5	Very low	120 Å²	120	140 Å²	140	74%	0.736	77%	0.771	S	S	*	*			trans	44.2	105.2	171.5	54.2	0	0	0	0	119
25	L	23.9	Very low	27.7	Very low	181 Å²	181	141.9 Å²	141.9	95%	0.948	77%	0.769	S	S	*	*			trans	-92.1	133.5	152	-128.7	159.3	0	0	0	108.3
26	A	24.4	Very low	27.9	Very low	91 Å²	91	141.4 Å²	141.4	75%	0.752	77%	0.765	S	S	*	*			trans	-138.9	139.7	171.7	0	0	0	0	0	109.4
27	S	27.3	Very low	28.1	Very low	110 Å²	110	139.1 Å²	139.1	77%	0.769	75%	0.75	S	S	*	*			trans	-83.1	144.6	-176.3	49.7	0	0	0	0	112.6
28	V	23.7	Very low	28.3	Very low	146 Å²	146	138.8 Å²	138.8	89%	0.885	75%	0.75	S	S	*	*			trans	-134.5	126.7	160.3	177.1	0	0	0	0	106.8
29	E	26.2	Very low	28.4	Very low	172 Å²	172	137.4 Å²	137.4	80%	0.804	74%	0.736	S	S	*	*			trans	-89.5	-174.3	171.1	-67.8	171.2	103.3	0	0	109.6
30	E	27.6	Very low	28.7	Very low	191 Å²	191	139.8 Å²	139.8	89%	0.893	74%	0.735	S	S	*	*			trans	73	111	169.5	-51.5	-177.7	147.4	0	0	117
31	D	28.2	Very low	28.9	Very low	143 Å²	143	134.8 Å²	134.8	77%	0.765	72%	0.721	S	S	*	*			trans	-162	43.7	145.7	-129.8	-11.2	0	0	0	111.9	D33	D31-D33 VanDerWaalsContact C-N 3.34Å
32	E	30.4	Very low	29.1	Very low	179 Å²	179	141.1 Å²	141.1	84%	0.836	73%	0.727	S	S	*	*			trans	-75	-19.1	176.4	-77.3	-155.5	135.9	0	0	113.6	N34 Y35	E32-N34 PolarHBondContact O-N 2.86Å; E32-N34 VanDerWaalsContact O-N 3.1Å; E32-Y35 PolarHBondContact O-N 2.91Å
33	D	30.3	Very low	29.3	Very low	128 Å²	128	141.2 Å²	141.2	68%	0.684	72%	0.723	S	S	*	*	H	α-helix	trans	-63.4	-22.6	-170.8	-85.5	-16.9	0	0	0	114.2	D31 Y35 M36 Q37	D31-D33 VanDerWaalsContact C-N 3.34Å; D33-Y35 VanDerWaalsContact C-N 3.3Å; D33-Y35 PolarHBondContact O-N 3Å; D33-M36 PolarHBondContact O-N 2.99Å; D33-Q37 PolarHBondContact O-N 3.04Å
34	N	29.5	Very low	29.5	Very low	132 Å²	132	145.3 Å²	145.3	71%	0.706	73%	0.729	S	S	*	*	H	α-helix	trans	-72	-22	-175.4	-138.5	-4.2	0	0	0	113.1	E32	E32-N34 PolarHBondContact O-N 2.86Å; E32-N34 VanDerWaalsContact O-N 3.1Å
35	Y	32.3	Very low	29.6	Very low	186 Å²	186	149.8 Å²	149.8	73%	0.729	73%	0.734	S	S	*	*	H	α-helix	trans	-86.9	-28.8	179	-154.7	-108.1	0	0	0	113	E32 D33	E32-Y35 PolarHBondContact O-N 2.91Å; D33-Y35 VanDerWaalsContact C-N 3.3Å; D33-Y35 PolarHBondContact O-N 3Å
36	M	33.2	Very low	30	Very low	104 Å²	104	148.4 Å²	148.4	51%	0.512	73%	0.728	S	S	.	*	H	α-helix	trans	-76.9	-30.1	178.2	-71.7	-66.4	-73.2	0	0	112.8	D33 E38 M39 L40	D33-M36 PolarHBondContact O-N 2.99Å; M36-E38 VanDerWaalsContact C-N 3.26Å; M36-E38 PolarHBondContact O-N 2.85Å; M36-M39 HydrophobicContact CE-CE 4.49Å; M36-M39 PolarHBondContact O-N 2.86Å; M36-M39 HydrophobicContact SD-CE 3.51Å; M36-M39 VanDerWaalsContact SD-CE 3.51Å; M36-L40 PolarHBondContact O-N 2.87Å
37	Q	31.6	Very low	30.1	Very low	127 Å²	127	152.7 Å²	152.7	59%	0.593	73%	0.732	S	S	*	*	H	α-helix	trans	-61.7	-32.2	179.6	-149.7	83.4	-80.8	0	0	113	D33 T41	D33-Q37 PolarHBondContact O-N 3.04Å; Q37-T41 PolarHBondContact O-N 3.15Å; Q37-T41 PolarHBondContact O-OG1 3.39Å
38	E	34.3	Very low	30.1	Very low	145 Å²	145	154.1 Å²	154.1	68%	0.678	74%	0.736	S	S	*	*	H	α-helix	trans	-82.6	-24	-177.1	-150.7	173.3	-141.7	0	0	112.8	M36 T41	M36-E38 VanDerWaalsContact C-N 3.26Å; M36-E38 PolarHBondContact O-N 2.85Å; E38-T41 PolarHBondContact O-OG1 3.41Å
39	M	33.2	Very low	30.1	Very low	109 Å²	109	158.4 Å²	158.4	54%	0.537	74%	0.736	S	S	.	*	H	α-helix	trans	-74.3	-45.6	169.9	-68.7	-159.3	-71.8	0	0	111.6	M36 T41 R42	M36-M39 HydrophobicContact CE-CE 4.49Å; M36-M39 PolarHBondContact O-N 2.86Å; M36-M39 HydrophobicContact SD-CE 3.51Å; M36-M39 VanDerWaalsContact SD-CE 3.51Å; M39-T41 PolarHBondContact O-N 2.82Å; M39-R42 WeakPolarHBondContact O-CB 3.43Å; M39-R42 PolarHBondContact O-N 3.11Å
40	L	32.2	Very low	30	Very low	105 Å²	105	158.6 Å²	158.6	55%	0.55	74%	0.739	S	S	.	*	H	α-helix	trans	-66.8	-19.5	-178.1	-72	169.5	0	0	0	114.2	M36	M36-L40 PolarHBondContact O-N 2.87Å
41	T	31.9	Very low	30.1	Very low	95 Å²	95	155.3 Å²	155.3	58%	0.583	73%	0.734	S	S	*	*	H	α-helix	trans	-82.1	-19.5	172.7	36.6	0	0	0	0	113.4	Q37 E38 M39	Q37-T41 PolarHBondContact O-N 3.15Å; Q37-T41 PolarHBondContact O-OG1 3.39Å; E38-T41 PolarHBondContact O-OG1 3.41Å; M39-T41 PolarHBondContact O-N 2.82Å
42	R	33.1	Very low	29.9	Very low	215 Å²	215	157.6 Å²	157.6	81%	0.811	74%	0.74	S	S	*	*	H	α-helix	trans	-80.9	-26.8	-176.2	-154.5	166.5	-176.2	161	-1.5	113.7	M39 R44	M39-R42 WeakPolarHBondContact O-CB 3.43Å; M39-R42 PolarHBondContact O-N 3.11Å; R42-R44 VanDerWaalsContact C-N 3.28Å; R42-R44 PolarHBondContact O-N 3.44Å
43	E	31.5	Very low	29.7	Very low	148 Å²	148	159 Å²	159	69%	0.692	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-69.3	-21	178.8	-63.5	-164.7	131.5	0	0	114.1	Y45 N46	E43-Y45 VanDerWaalsContact C-N 3.25Å; E43-Y45 PolarHBondContact O-N 2.82Å; E43-N46 PolarHBondContact O-N 3.07Å
44	R	28.7	Very low	29.5	Very low	224 Å²	224	158 Å²	158	85%	0.845	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-73.4	-5.1	-174.3	-80.5	-168.5	174.7	-169.4	0.6	115.9	R42	R42-R44 VanDerWaalsContact C-N 3.28Å; R42-R44 PolarHBondContact O-N 3.44Å
45	Y	29	Very low	29.3	Very low	214 Å²	214	160.1 Å²	160.1	84%	0.839	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-92	-13.6	177.1	-102.7	-86.1	0	0	0	114.9	E43	E43-Y45 VanDerWaalsContact C-N 3.25Å; E43-Y45 PolarHBondContact O-N 2.82Å
46	N	31.5	Very low	29	Very low	153 Å²	153	156.1 Å²	156.1	82%	0.818	76%	0.756	S	S	*	*	S	Bend	trans	-101.8	42.3	-177.7	-78.7	-14.6	0	0	0	113.8	E43	E43-N46 PolarHBondContact O-N 3.07Å
47	Q	26.6	Very low	28.6	Very low	180 Å²	180	156.7 Å²	156.7	84%	0.841	77%	0.77	S	S	*	*			trans	-129.9	73.7	170.1	-71.6	-164	-1.8	0	0	112.9
48	V	26.9	Very low	28.3	Very low	140 Å²	140	157.7 Å²	157.7	85%	0.848	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-94.6	127.3	161.7	179.9	0	0	0	0	108.8
49	R	23.7	Very low	27.9	Very low	237 Å²	237	154.7 Å²	154.7	89%	0.894	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-69.8	128.3	-175.2	-70.4	173.3	169.8	162.2	-5.6	112.1
50	M	25.3	Very low	27.6	Very low	176 Å²	176	157.3 Å²	157.3	87%	0.867	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-68.4	130.2	156.7	-69.5	-66.8	-179.4	0	0	109.3	E52	M50-E52 PolarHBondContact O-N 3.31Å
51	P	28.1	Very low	27.4	Very low	121 Å²	121	155.9 Å²	155.9	79%	0.786	80%	0.804	S	S	*	*			trans	-79.3	115.9	172	30.4	-31.4	0	0	0	110.3
52	E	25.4	Very low	27.1	Very low	192 Å²	192	160.9 Å²	160.9	90%	0.897	82%	0.821	S	S	*	*			trans	-59	142.4	169.7	-62.8	-179.2	124.2	0	0	110.9	M50	M50-E52 PolarHBondContact O-N 3.31Å
53	K	26.5	Very low	26.8	Very low	207 Å²	207	154 Å²	154	90%	0.9	82%	0.816	S	S	*	*			trans	-126.3	134.9	159.1	-97.1	-174.2	175.3	178.4	0	110.3
54	S	24.8	Very low	26.5	Very low	108 Å²	108	155.1 Å²	155.1	76%	0.755	82%	0.822	S	S	*	*			trans	-73.4	141.4	-166.6	43.6	0	0	0	0	113.4	S56	S54-S56 PolarHBondContact O-N 2.99Å
55	I	25.4	Very low	26.3	Very low	177 Å²	177	149.3 Å²	149.3	91%	0.908	82%	0.822	S	S	*	*			trans	-70.2	122.1	156.6	-61.5	171.9	0	0	0	106.9
56	S	25.6	Very low	26.1	Very low	102 Å²	102	147.4 Å²	147.4	71%	0.713	82%	0.818	S	S	*	*			trans	-136.5	132.6	162.2	60.7	0	0	0	0	109	S54	S54-S56 PolarHBondContact O-N 2.99Å
57	S	25.4	Very low	25.8	Very low	116 Å²	116	147.4 Å²	147.4	81%	0.811	81%	0.813	S	S	*	*			trans	-95.2	136.4	-178.2	46.9	0	0	0	0	110.9
58	T	25.9	Very low	25.8	Very low	147 Å²	147	147 Å²	147	90%	0.902	81%	0.808	S	S	*	*			trans	-151.9	148.9	160.8	3.2	0	0	0	0	109.1
59	A	26.3	Very low	26.2	Very low	83 Å²	83	146 Å²	146	69%	0.686	81%	0.805	S	S	*	*			trans	-120.4	171.1	-175.2	0	0	0	0	0	111.2
60	N	27	Very low	26.3	Very low	164 Å²	164	139.1 Å²	139.1	88%	0.877	80%	0.799	S	S	*	*			trans	73.3	143.3	175.5	-59.1	-25.7	0	0	0	115.5
61	A	27.4	Very low	26.3	Very low	74 Å²	74	141.4 Å²	141.4	61%	0.612	80%	0.798	S	S	*	*			cis	-164.8	162	-12.7	0	0	0	0	0	111.8
62	Q	25.3	Very low	26	Very low	201 Å²	201	144.4 Å²	144.4	94%	0.939	80%	0.798	S	S	*	*			trans	66.6	140.2	160.8	-66.9	160.3	10.6	0	0	117.7
63	G	26.4	Very low	26.1	Very low	69 Å²	69	142.9 Å²	142.9	71%	0.711	79%	0.793	S	S	*	*			cis	-178.7	-172.1	-3.4	0	0	0	0	0	115.6
64	E	26.1	Very low	26.3	Very low	172 Å²	172	138.9 Å²	138.9	80%	0.804	79%	0.788	S	S	*	*			trans	60.8	103.3	168.5	-61.3	-129.4	104.8	0	0	120	K66	E64-K66 IonicContact OE1-NZ 3.54Å
65	A	23.3	Very low	26.2	Very low	102 Å²	102	143.5 Å²	143.5	84%	0.843	80%	0.795	S	S	*	*			trans	-141.1	136.9	154.4	0	0	0	0	0	110.9
66	K	26.4	Very low	26.2	Very low	174 Å²	174	138.6 Å²	138.6	76%	0.757	79%	0.787	S	S	*	*			trans	-133.2	120	170.3	-69.2	166	-177.9	145.1	0	105.9	E64	E64-K66 IonicContact OE1-NZ 3.54Å
67	Q	24.9	Very low	26.2	Very low	153 Å²	153	142 Å²	142	72%	0.715	79%	0.792	S	S	*	*				46.2	127	82.1	-66	-162.5	28.9	0	0	112.1
68	K	26.9	Very low	26.1	Very low	172 Å²	172	145 Å²	145	75%	0.748	80%	0.795	S	S	*	*			cis	-168.9	-159.1	16.5	-111.6	165.9	176.4	152.9	0	106.7
69	P	33.8	Very low	26	Very low	120 Å²	120	141.7 Å²	141.7	78%	0.779	79%	0.791	S	S	*	*				-123.6	-170.8	-66.4	40	-23.4	0	0	0	112.1
70	A	26.3	Very low	25.8	Very low	92 Å²	92	145.2 Å²	145.2	76%	0.76	80%	0.798	S	S	*	*			trans	-89.6	158.9	175.6	0	0	0	0	0	114.8
71	R	25.1	Very low	25.7	Very low	224 Å²	224	143.3 Å²	143.3	85%	0.845	79%	0.792	S	S	*	*			trans	-175.1	135	144	-109.8	-179.4	177.6	-175.2	1.3	117.2
72	K	23.1	Very low	25.7	Very low	183 Å²	183	149.7 Å²	149.7	80%	0.796	81%	0.806	S	S	*	*			trans	65.3	146.3	141.2	-76.6	-174.1	173.6	-165.3	0	123.3
73	M	26.3	Very low	25.7	Very low	160 Å²	160	148.3 Å²	148.3	79%	0.788	80%	0.797	S	S	*	*			trans	-78.9	171.9	165.1	-51.3	167.4	67.4	0	0	113.2
74	P	30.1	Very low	25.6	Very low	124 Å²	124	152.1 Å²	152.1	81%	0.805	81%	0.807	S	S	*	*			trans	-129.5	172	133.5	37.8	-28	0	0	0	114.8
75	K	23.5	Very low	25.6	Very low	205 Å²	205	149.8 Å²	149.8	89%	0.891	80%	0.8	S	S	*	*			trans	-114.8	159.1	164.4	-72.1	-177.5	173.6	-176.6	0	108.9
76	G	25	Very low	25.6	Very low	73 Å²	73	154.2 Å²	154.2	75%	0.753	80%	0.8	S	S	*	*			trans	170	75.5	168.2	0	0	0	0	0	119.9
77	E	25.3	Very low	25.5	Very low	173 Å²	173	153.1 Å²	153.1	81%	0.808	80%	0.801	S	S	*	*			trans	47.1	145.8	136.4	-67.8	-165.1	118.7	0	0	128.1
78	M	23.4	Very low	25.5	Very low	179 Å²	179	152.5 Å²	152.5	88%	0.882	81%	0.808	S	S	*	*			trans	73.8	141.6	147.6	-75.1	-173.6	-169.5	0	0	123
79	G	23.8	Very low	25.4	Very low	79 Å²	79	151.3 Å²	151.3	81%	0.814	81%	0.809	S	S	*	*			trans	177.3	1.2	177.5	0	0	0	0	0	123.8
80	N	23.4	Very low	25.8	Very low	157 Å²	157	150.1 Å²	150.1	84%	0.84	80%	0.802	S	S	*	*			trans	41.9	117.9	165.3	-97.1	-5.1	0	0	0	124.2
81	V	25.2	Very low	25.7	Very low	123 Å²	123	152.1 Å²	152.1	75%	0.745	81%	0.805	S	S	*	*				61.8	126.2	125.8	177.7	0	0	0	0	122.6
82	K	25.6	Very low	25.6	Very low	209 Å²	209	150.8 Å²	150.8	91%	0.909	81%	0.805	S	S	*	*			trans	-155.8	151.2	131.9	-114.6	169	-173.4	174.2	0	113
83	K	25.7	Very low	26.4	Very low	172 Å²	172	147.6 Å²	147.6	75%	0.748	80%	0.803	S	S	*	*			trans	-114.9	160.5	175.4	-70.3	-175.1	173.1	-169.6	0	110.9
84	T	23.9	Very low	26.3	Very low	149 Å²	149	145.7 Å²	145.7	91%	0.914	80%	0.8	S	S	*	*			trans	-160.9	150.4	135.5	14.5	0	0	0	0	112.1
85	D	25.9	Very low	26	Very low	123 Å²	123	148.8 Å²	148.8	66%	0.658	80%	0.801	S	S	*	*			trans	-116.4	161.2	-171.4	-47.6	-94.2	0	0	0	113.9
86	K	24.9	Very low	25.9	Very low	195 Å²	195	145.3 Å²	145.3	85%	0.848	80%	0.797	S	S	*	*			trans	147.5	128.6	147.8	-81.8	160.5	-174.7	-178.3	0	110.1
87	I	24.5	Very low	26.6	Very low	150 Å²	150	146.8 Å²	146.8	77%	0.769	79%	0.793	S	S	*	*			cis	76.3	105	39.1	-54.8	170.2	0	0	0	113.9
88	T	24	Very low	26.6	Very low	140 Å²	140	144.3 Å²	144.3	86%	0.859	79%	0.786	S	S	*	*				-173.1	126.8	123.9	29.1	0	0	0	0	112.7
89	D	24.8	Very low	26.7	Very low	147 Å²	147	145.6 Å²	145.6	79%	0.786	78%	0.781	S	S	*	*			trans	-82.5	178.5	152.5	-154.3	39.3	0	0	0	107.5
90	P	43	Very low	26.8	Very low	95 Å²	95	150.3 Å²	150.3	62%	0.617	78%	0.779	S	S	*	*			cis	-147.4	177.3	17.9	43.4	-22.2	0	0	0	119.1
91	T	24.1	Very low	27	Very low	135 Å²	135	147.7 Å²	147.7	83%	0.828	77%	0.768	S	S	*	*				177.6	162.9	118.9	30.1	0	0	0	0	114.4
92	K	22.5	Very low	27	Very low	196 Å²	196	147.3 Å²	147.3	85%	0.852	77%	0.766	S	S	*	*			trans	-130.4	-170.3	176.1	-46.9	176	-178.2	172.7	0	107.9
93	P	38.9	Very low	27	Very low	115 Å²	115	145.3 Å²	145.3	75%	0.747	76%	0.758	S	S	*	*			cis	-133.6	-168.4	-13.8	41.3	-24.4	0	0	0	112.9
94	V	24.8	Very low	26.9	Very low	120 Å²	120	143.1 Å²	143.1	73%	0.727	75%	0.754	S	S	*	*				-176.9	123.1	125.6	143.6	0	0	0	0	114.7
95	K	24.6	Very low	26.9	Very low	190 Å²	190	144.7 Å²	144.7	83%	0.826	75%	0.748	S	S	*	*			trans	43.2	110.6	146.7	-54.6	175.2	-174.9	173.7	0	123.3
96	T	20.6	Very low	26.8	Very low	132 Å²	132	147.3 Å²	147.3	81%	0.81	75%	0.754	S	S	*	*			trans	-69.2	-172.2	139.4	50.3	0	0	0	0	111.7
97	P	39.5	Very low	26.7	Very low	103 Å²	103	141.9 Å²	141.9	67%	0.669	74%	0.74	S	S	*	*			cis	-131	-162.8	6.5	34.4	-8.2	0	0	0	112.8
98	N	25.1	Very low	26.7	Very low	122 Å²	122	141.2 Å²	141.2	65%	0.652	74%	0.743	S	S	*	*			cis	-143.6	146.6	23	-90.6	-58.7	0	0	0	110.1
99	R	26.8	Very low	26.7	Very low	205 Å²	205	142.8 Å²	142.8	77%	0.774	75%	0.745	S	S	*	*				74	114.3	52.3	-159.6	-166.5	-170.9	-179.1	4.7	111
100	K	25.6	Very low	26.7	Very low	178 Å²	178	143.2 Å²	143.2	77%	0.774	74%	0.74	S	S	*	*				-176.2	152.1	88.9	-86	-173.9	179.9	176.2	0	109.1
101	T	26.2	Very low	25.8	Very low	102 Å²	102	146 Å²	146	63%	0.626	75%	0.745	S	S	*	*			cis	-172.6	156.3	-3.1	20.9	0	0	0	0	113
102	V	26.6	Very low	25.8	Very low	115 Å²	115	144.5 Å²	144.5	70%	0.697	74%	0.74	S	S	*	*			trans	73.2	137.6	138.8	155	0	0	0	0	117.9
103	K	25.1	Very low	26.1	Very low	168 Å²	168	143.5 Å²	143.5	73%	0.73	74%	0.744	S	S	*	*			cis	-161.9	167.4	-9.9	-94.3	167.9	-162.9	172	0	105.1
104	N	23.3	Very low	25.4	Very low	126 Å²	126	145.2 Å²	145.2	67%	0.674	75%	0.746	S	S	*	*			cis	-158.1	144.4	-12.8	-106.9	-10.1	0	0	0	104.6
105	K	23.9	Very low	25.8	Very low	181 Å²	181	147.2 Å²	147.2	79%	0.787	75%	0.751	S	S	*	*				51.3	135.2	77.9	-78.4	-176.1	175	177.9	0	114
106	K	23.6	Very low	25.9	Very low	179 Å²	179	143.6 Å²	143.6	78%	0.778	75%	0.749	S	S	*	*			cis	-163.4	132.1	19.9	-126.8	-166.3	164.8	-162.8	0	108.8
107	S	22.7	Very low	26.5	Very low	81 Å²	81	146.2 Å²	146.2	57%	0.566	75%	0.752	S	S	*	*				86.3	110.1	90.8	73.8	0	0	0	0	118.9
108	T	25	Very low	26	Very low	135 Å²	135	144.4 Å²	144.4	83%	0.828	75%	0.752	S	S	*	*			trans	32.6	135.7	133.3	34.6	0	0	0	0	123.1
109	L	23.6	Very low	26.2	Very low	173 Å²	173	146.3 Å²	146.3	91%	0.906	76%	0.762	S	S	*	*			trans	-151.3	-173.8	139.7	-112.6	168.2	0	0	0	111.5
110	K	24	Very low	26.2	Very low	156 Å²	156	141 Å²	141	68%	0.678	76%	0.762	S	S	*	*			trans	-106.5	154.3	-153.9	-90.2	170	147.4	-97.5	0	116.7
111	E	25.8	Very low	26.4	Very low	155 Å²	155	141.4 Å²	141.4	72%	0.724	77%	0.767	S	S	*	*			trans	36.7	122.2	141.6	-62.9	155	143.3	0	0	121.3
112	S	24	Very low	26.7	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	78%	0.778	S	S	*	*				-161	143.3	129.3	51.5	0	0	0	0	111
113	N	27.3	Very low	27	Very low	174 Å²	174	147.1 Å²	147.1	93%	0.93	78%	0.781	S	S	*	*			trans	-85.9	125.5	168.9	-77	-12.4	0	0	0	109
114	I	25.6	Very low	27.7	Very low	152 Å²	152	143.3 Å²	143.3	78%	0.779	78%	0.775	S	S	*	*			trans	-132.9	131.4	163.6	-61.6	-178.2	0	0	0	107.2
115	I	33.6	Very low	28.8	Very low	162 Å²	162	145.1 Å²	145.1	83%	0.831	78%	0.782	S	S	*	*			trans	-79.2	127.5	174.7	-62	169.3	0	0	0	107.7
116	S	26.3	Very low	30.4	Very low	113 Å²	113	141 Å²	141	79%	0.79	77%	0.771	S	S	*	*			trans	-129	121.2	163.6	-168.1	0	0	0	0	107.8
117	E	32.4	Very low	32.3	Very low	187 Å²	187	139.1 Å²	139.1	87%	0.874	77%	0.766	S	S	*	*			trans	-72.7	148	163.2	-62.6	170.9	132.2	0	0	108.3
118	G	30.4	Very low	35.1	Very low	65 Å²	65	139.6 Å²	139.6	67%	0.67	76%	0.759	S	S	*	*			trans	147	124.2	-179	0	0	0	0	0	112.2
119	D	27.9	Very low	38.3	Very low	162 Å²	162	133.6 Å²	133.6	87%	0.866	72%	0.723	S	S	*	*			trans	47.5	68.5	159.1	-52.3	-21.8	0	0	0	116.4	E121	D119-E121 VanDerWaalsContact C-N 3.33Å; D119-E121 PolarHBondContact O-N 2.77Å
120	A	28.2	Very low	41.7	Very low	94 Å²	94	127.3 Å²	127.3	78%	0.777	69%	0.692	S	S	*	*			trans	-64.9	97.9	150.8	0	0	0	0	0	108.4	F122	A120-F122 PolarHBondContact O-N 2.85Å
121	E	29	Very low	45.1	Very low	186 Å²	186	120.7 Å²	120.7	87%	0.869	67%	0.665	S	S	*	*			trans	-55.9	102.7	164.5	-76	-171.4	132.8	0	0	108.1	D119 N123	D119-E121 VanDerWaalsContact C-N 3.33Å; D119-E121 PolarHBondContact O-N 2.77Å; E121-N123 PolarHBondContact O-N 2.89Å
122	F	32.6	Very low	48.4	Very low	194 Å²	194	114.6 Å²	114.6	85%	0.851	64%	0.637	S	S	*	*			trans	-72.7	80.5	175.4	-135.8	-84	0	0	0	107.2	A120 S124	A120-F122 PolarHBondContact O-N 2.85Å; F122-S124 PolarHBondContact O-N 3.42Å
123	N	32.1	Very low	51.7	Low	144 Å²	144	109.7 Å²	109.7	77%	0.77	60%	0.602	S	S	*	*			trans	-70.4	75.7	177.8	-163.4	5	0	0	0	108.1	E121 M125	E121-N123 PolarHBondContact O-N 2.89Å; N123-M125 PolarHBondContact O-N 2.87Å
124	S	40.7	Very low	55	Low	87 Å²	87	101.4 Å²	101.4	61%	0.608	56%	0.558	S	S	*	*			trans	-66.3	85.9	-179	173.2	0	0	0	0	108	F122 T126	F122-S124 PolarHBondContact O-N 3.42Å; S124-T126 PolarHBondContact O-N 3.28Å
125	M	45.9	Very low	58.3	Low	165 Å²	165	95 Å²	95	81%	0.813	53%	0.525	S	S	*	.			trans	-47.5	111.6	159.5	-71	-177.6	171.7	0	0	106.7	N123 E127	N123-M125 PolarHBondContact O-N 2.87Å; M125-E127 PolarHBondContact O-N 2.69Å
126	T	57.8	Low	61.1	Low	93 Å²	93	88.3 Å²	88.3	57%	0.571	49%	0.492	S	S	*	.			trans	-61	106.7	171.1	41.8	0	0	0	0	106.1	S124 E128	S124-T126 PolarHBondContact O-N 3.28Å; T126-E128 PolarHBondContact O-N 3.1Å
127	E	62.9	Low	64.3	Low	141 Å²	141	84.2 Å²	84.2	66%	0.659	46%	0.461	S	S	*	.			trans	-63.7	85.2	171.6	-70.8	-178.7	168.2	0	0	107.8	M125 K197 T199	M125-E127 PolarHBondContact O-N 2.69Å; E127-K197 IonicContact OE2-NZ 3.46Å; E127-K197 PolarHBondContact OE2-NZ 3.17Å; E127-T199 VanDerWaalsContact O-CG2 3.31Å; E127-T199 WeakPolarHBondContact O-CG2 3.46Å
128	E	82.1	Confident	67	Low	91 Å²	91	78.7 Å²	78.7	43%	0.425	43%	0.434	S	S	.	.			trans	-68	147.6	171.2	-63.6	-168.6	133.6	0	0	109	T126 R252 I254	T126-E128 PolarHBondContact O-N 3.1Å; E128-R252 IonicContact OE1-CZ 3.13Å; E128-R252 IonicContact OE1-NH2 2.77Å; E128-R252 PolarHBondContact OE1-NH2 2.83Å; E128-R252 IonicContact OE2-CZ 3.65Å; E128-R252 IonicContact OE2-NH2 2.73Å; E128-R252 PolarHBondContact OE2-NH2 3.11Å; E128-I254 WeakPolarHBondContact OE1-CD1 3.11Å; E128-I254 WeakPolarHBondContact OE1-CG1 3.36Å
129	C	92.4	Very high	70	Confident	9 Å²	9	76.1 Å²	76.1	6%	0.061	40%	0.404	C	S	.	.			trans	-114.5	151.7	-178.1	-70.6	0	0	0	0	109.2	T199 G285 C286	C129-T199 HydrophobicContact CB-CG2 3.91Å; C129-T199 WeakPolarHBondContact CB-OG1 3.09Å; C129-T199 PolarHBondContact N-OG1 2.91Å; C129-T199 WeakPolarHBondContact SG-CG2 3.22Å; C129-G285 VanDerWaalsContact CB-C 3.44Å; C129-C286 VanDerWaalsContact CA-SG 3.6Å; C129-C286 HydrophobicContact CB-CB 4.03Å; C129-C286 VanDerWaalsContact CB-N 3.33Å; C129-C286 WeakPolarHBondContact CB-SG 3.43Å; C129-C286 WeakPolarHBondContact SG-CB 3.32Å; C129-C286 PolarHBondContact SG-N 2.69Å; C129-C286 CovalentContact SG-SG 2.03Å; C129-C286 PolarHBondContact SG-SG 3Å
130	P	94.6	Very high	73.2	Confident	40 Å²	40	71.6 Å²	71.6	26%	0.26	38%	0.38	S	S	.	.			trans	-61.5	163.1	176.2	28.8	-37.4	0	0	0	111.5	L284 G285	P130-L284 WeakPolarHBondContact O-CA 3.38Å; P130-G285 PolarHBondContact O-N 3.42Å
131	P	95.8	Very high	76.4	Confident	17 Å²	17	69.4 Å²	69.4	11%	0.11	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-54.6	148.5	161.9	27.2	-35.5	0	0	0	110.8	E282 I283 L284 E429 H611	P131-E282 HydrophobicContact CB-CG 3.43Å; P131-E282 VanDerWaalsContact CB-CG 3.43Å; P131-I283 CarbonylContact C-O 3.59Å; P131-I283 WeakPolarHBondContact CA-O 3.23Å; P131-L284 HydrophobicContact CB-CD2 4.28Å; P131-E429 HydrophobicContact CB-CG 4.49Å; P131-E429 HydrophobicContact CG-CG 4.45Å; P131-H611 HydrophobicContact CG-CB 3.57Å
132	M	94.6	Very high	79.6	Confident	27 Å²	27	66.8 Å²	66.8	13%	0.133	34%	0.342	C	S	.	.			trans	-87.8	-10.1	-178.9	-73.7	-178.9	61.8	0	0	113	I139 A192 T196 F198 E282 I283	M132-I139 HydrophobicContact CB-CD1 4.26Å; M132-I139 HydrophobicContact CB-CG1 4.32Å; M132-I139 HydrophobicContact CE-CD1 4.23Å; M132-I139 WeakPolarHBondContact O-CG1 3.23Å; M132-A192 HydrophobicContact CE-CB 3.61Å; M132-T196 HydrophobicContact CE-CG2 4.22Å; M132-T196 HydrophobicContact SD-CG2 4.08Å; M132-F198 HydrophobicContact CE-CE1 4.18Å; M132-F198 HydrophobicContact SD-CD1 4Å; M132-F198 HydrophobicContact SD-CE1 3.63Å; M132-E282 PolarHBondContact N-OE1 3.45Å; M132-I283 WeakPolarHBondContact CB-O 3.28Å; M132-I283 HydrophobicContact CG-CB 4.49Å; M132-I283 WeakPolarHBondContact CG-O 3.21Å; M132-I283 PolarHBondContact N-O 3.41Å; M132-I283 HydrophobicContact SD-CB 4.02Å; M132-I283 HydrophobicContact SD-CG2 3.6Å
133	G	94.1	Very high	82.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	S	Bend	trans	92	44.5	175.8	0	0	0	0	0	113.3	T136 L137 K138 I139 E282	G133-T136 WeakPolarHBondContact CA-OG1 3.32Å; G133-L137 CarbonylContact O-C 3.59Å; G133-L137 WeakPolarHBondContact O-CA 3.3Å; G133-L137 PolarHBondContact O-N 2.75Å; G133-K138 PolarHBondContact O-N 3.48Å; G133-I139 PolarHBondContact O-N 3.09Å; G133-E282 PolarHBondContact N-OE1 3.26Å
134	L	95.9	Very high	85.8	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.268	C	S	.	.	S	Bend	trans	-67.9	-41.4	159.8	-78.9	82.6	0	0	0	109.8	I139 L144 R160 V190 A281 E282 I283	L134-I139 HydrophobicContact CD1-CB 4.44Å; L134-I139 HydrophobicContact CD1-CG1 3.93Å; L134-I139 HydrophobicContact CG-CB 4.42Å; L134-I139 HydrophobicContact CG-CG1 4.43Å; L134-I139 HydrophobicContact CG-CG2 4.5Å; L134-L144 HydrophobicContact CD2-CD2 3.99Å; L134-L144 HydrophobicContact CG-CD2 4.34Å; L134-R160 HydrophobicContact CB-CB 4.32Å; L134-R160 HydrophobicContact CB-CG 4.2Å; L134-R160 WeakPolarHBondContact O-CB 3.32Å; L134-R160 VanDerWaalsContact O-CD 3.22Å; L134-R160 WeakPolarHBondContact O-CD 3.35Å; L134-R160 VanDerWaalsContact O-CG 3.25Å; L134-R160 WeakPolarHBondContact O-CG 3.42Å; L134-R160 PolarHBondContact O-NH1 3.13Å; L134-V190 HydrophobicContact CD1-CG1 4.47Å; L134-V190 HydrophobicContact CD1-CG2 4.43Å; L134-V190 HydrophobicContact CD2-CG2 4.09Å; L134-A281 WeakPolarHBondContact CB-O 3.43Å; L134-A281 WeakPolarHBondContact CD2-O 3.4Å; L134-E282 WeakPolarHBondContact CA-OE2 3.29Å; L134-E282 WeakPolarHBondContact CB-OE2 3.34Å; L134-E282 VanDerWaalsContact CD1-OE1 3.29Å; L134-E282 WeakPolarHBondContact CD1-OE1 3.12Å; L134-E282 PolarHBondContact N-OE1 3.45Å; L134-E282 PolarHBondContact N-OE2 2.87Å; L134-I283 HydrophobicContact CD1-CB 4.24Å; L134-I283 HydrophobicContact CD1-CG1 3.91Å
135	E	94.8	Very high	88.5	Confident	18 Å²	18	51.3 Å²	51.3	8%	0.084	26%	0.258	C	S	.	.	S	Bend	trans	-71.3	-55.5	175.4	-175	159.3	179.8	0	0	112.6	L137 L161 N162 E282 D607	E135-L137 WeakPolarHBondContact O-CD2 3.46Å; E135-L137 WeakPolarHBondContact O-CG 3.41Å; E135-L137 PolarHBondContact O-N 3.45Å; E135-L161 HydrophobicContact CB-CB 4.31Å; E135-L161 WeakPolarHBondContact OE2-CD2 3.47Å; E135-L161 WeakPolarHBondContact OE2-CG 3.28Å; E135-N162 VanDerWaalsContact CD-CB 3.47Å; E135-N162 VanDerWaalsContact CD-ND2 3.27Å; E135-N162 HydrophobicContact CG-CB 4.38Å; E135-N162 WeakPolarHBondContact OE1-CB 3.32Å; E135-N162 PolarHBondContact OE1-ND2 2.91Å; E135-N162 WeakPolarHBondContact OE2-CB 3.28Å; E135-N162 PolarHBondContact OE2-ND2 2.88Å; E135-E282 PolarHBondContact N-OE2 3.24Å; E135-D607 HydrophobicContact CG-CB 4.11Å
136	T	91.9	Very high	91	Very high	21 Å²	21	44.9 Å²	44.9	13%	0.129	23%	0.231	C	C	.	.	S	Bend	trans	-70.9	8.3	176.7	56.8	0	0	0	0	114.6	G133 K138 D607 P610 E614	G133-T136 WeakPolarHBondContact CA-OG1 3.32Å; T136-K138 PolarHBondContact O-N 2.81Å; T136-D607 HydrophobicContact CG2-CB 3.68Å; T136-D607 WeakPolarHBondContact CG2-OD2 3.25Å; T136-P610 HydrophobicContact CG2-CB 4.07Å; T136-E614 WeakPolarHBondContact CB-OE1 3.27Å; T136-E614 WeakPolarHBondContact CG2-OE1 3.39Å; T136-E614 WeakPolarHBondContact CG2-OE2 3.29Å; T136-E614 PolarHBondContact OG1-OE1 2.81Å
137	L	93.4	Very high	92.9	Very high	27 Å²	27	42 Å²	42	14%	0.141	22%	0.215	C	C	.	.	S	Bend	trans	64.6	3.4	173.8	-45.1	-179.5	0	0	0	116.6	G133 E135 I139 R561 C606	G133-L137 CarbonylContact O-C 3.59Å; G133-L137 WeakPolarHBondContact O-CA 3.3Å; G133-L137 PolarHBondContact O-N 2.75Å; E135-L137 WeakPolarHBondContact O-CD2 3.46Å; E135-L137 WeakPolarHBondContact O-CG 3.41Å; E135-L137 PolarHBondContact O-N 3.45Å; L137-I139 CarbonylContact O-C 3.59Å; L137-I139 PolarHBondContact O-N 2.7Å; L137-R561 HydrophobicContact CD1-CB 4.01Å; L137-R561 HydrophobicContact CD1-CG 3.88Å; L137-C606 HydrophobicContact CD1-CB 4.33Å; L137-C606 VanDerWaalsContact CD1-SG 3.5Å
138	K	90.9	Very high	94.5	Very high	71 Å²	71	36.6 Å²	36.6	31%	0.309	19%	0.192	S	C	.	.			trans	-61.3	-22.7	176.9	-55.7	-173.5	-175.7	-175.1	0	113.3	G133 T136 E614 E617	G133-K138 PolarHBondContact O-N 3.48Å; T136-K138 PolarHBondContact O-N 2.81Å; K138-E614 WeakPolarHBondContact CD-OE1 3.49Å; K138-E614 WeakPolarHBondContact CE-OE1 3.4Å; K138-E614 IonicContact NZ-OE1 3.98Å; K138-E614 PolarHBondContact NZ-OE1 2.93Å; K138-E617 WeakPolarHBondContact CE-OE2 3.35Å; K138-E617 IonicContact NZ-OE2 3.05Å; K138-E617 PolarHBondContact NZ-OE2 2.93Å
139	I	93.5	Very high	95.2	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.051	19%	0.19	C	C	.	.	S	Bend	trans	-83.6	113	162.9	-60.8	-59.4	0	0	0	108.9	M132 G133 L134 L137 Q143 L144 R160 V190	M132-I139 HydrophobicContact CB-CD1 4.26Å; M132-I139 HydrophobicContact CB-CG1 4.32Å; M132-I139 HydrophobicContact CE-CD1 4.23Å; M132-I139 WeakPolarHBondContact O-CG1 3.23Å; G133-I139 PolarHBondContact O-N 3.09Å; L134-I139 HydrophobicContact CD1-CB 4.44Å; L134-I139 HydrophobicContact CD1-CG1 3.93Å; L134-I139 HydrophobicContact CG-CB 4.42Å; L134-I139 HydrophobicContact CG-CG1 4.43Å; L134-I139 HydrophobicContact CG-CG2 4.5Å; L137-I139 CarbonylContact O-C 3.59Å; L137-I139 PolarHBondContact O-N 2.7Å; I139-Q143 HydrophobicContact CG2-CB 3.79Å; I139-Q143 HydrophobicContact CG2-CG 4.47Å; I139-L144 HydrophobicContact CG2-CD2 3.82Å; I139-L144 HydrophobicContact CG2-CG 4.06Å; I139-R160 VanDerWaalsContact O-CZ 3.24Å; I139-R160 PolarHBondContact O-NH1 2.63Å; I139-R160 PolarHBondContact O-NH2 2.83Å; I139-V190 HydrophobicContact CG2-CG1 4.08Å
140	D	94.7	Very high	95.4	Very high	68 Å²	68	39.4 Å²	39.4	36%	0.364	21%	0.207	S	C	.	.			trans	-65.6	152.7	175.8	-83.8	-51.7	0	0	0	112.2	F142 Q143 R193	D140-F142 HydrophobicContact CB-CD1 3.62Å; D140-F142 HydrophobicContact CB-CD2 4.48Å; D140-F142 HydrophobicContact CB-CE1 3.32Å; D140-F142 HydrophobicContact CB-CE2 4.24Å; D140-F142 HydrophobicContact CB-CG 4.2Å; D140-F142 HydrophobicContact CB-CZ 3.66Å; D140-F142 PolarHBondContact O-N 3.19Å; D140-F142 VanDerWaalsContact O-N 3.17Å; D140-F142 VanDerWaalsContact OD2-CE1 3.27Å; D140-F142 WeakPolarHBondContact OD2-CE1 3.38Å; D140-F142 VanDerWaalsContact OD2-CZ 3.27Å; D140-F142 WeakPolarHBondContact OD2-CZ 3.35Å; D140-Q143 HydrophobicContact CB-CG 4.48Å; D140-Q143 WeakPolarHBondContact O-CB 3.18Å; D140-Q143 PolarHBondContact O-N 2.72Å; D140-R193 IonicContact OD2-CZ 3.68Å; D140-R193 IonicContact OD2-NH1 2.76Å; D140-R193 IonicContact OD2-NH2 2.67Å; D140-R193 PolarHBondContact OD2-NH2 2.83Å
141	D	95.5	Very high	95.3	Very high	48 Å²	48	40.4 Å²	40.4	26%	0.257	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-57.4	-31.7	177.8	-86.3	9.2	0	0	0	113.9	Q143 L144 H157 R160 R561	D141-Q143 PolarHBondContact O-N 3.45Å; D141-L144 PolarHBondContact O-N 2.99Å; D141-L144 VanDerWaalsContact O-N 3.08Å; D141-H157 HydrophobicContact CB-CB 4.13Å; D141-H157 WeakPolarHBondContact OD1-CB 3.11Å; D141-H157 WeakPolarHBondContact OD2-CB 3.49Å; D141-H157 IonicContact OD2-CG 3.09Å; D141-R160 IonicContact OD1-CZ 2.68Å; D141-R160 IonicContact OD1-NE 3.13Å; D141-R160 IonicContact OD1-NH2 2.94Å; D141-R160 PolarHBondContact OD1-NH2 3.13Å; D141-R561 VanDerWaalsContact CG-CZ 3.48Å; D141-R561 IonicContact OD1-CZ 2.75Å; D141-R561 IonicContact OD1-NE 3.45Å; D141-R561 PolarHBondContact OD1-NE 2.94Å; D141-R561 IonicContact OD1-NH1 3.99Å; D141-R561 PolarHBondContact OD1-NH1 2.87Å; D141-R561 VanDerWaalsContact OD1-NH1 3.11Å; D141-R561 IonicContact OD1-NH2 2.71Å; D141-R561 PolarHBondContact OD1-NH2 3.23Å; D141-R561 VanDerWaalsContact OD1-NH2 3.13Å; D141-R561 IonicContact OD2-CZ 2.68Å; D141-R561 VanDerWaalsContact OD2-CZ 3.29Å; D141-R561 IonicContact OD2-NH1 3.7Å; D141-R561 PolarHBondContact OD2-NH1 3.4Å; D141-R561 IonicContact OD2-NH2 2.69Å; D141-R561 PolarHBondContact OD2-NH2 3.12Å
142	F	95.6	Very high	95.1	Very high	131 Å²	131	46.9 Å²	46.9	58%	0.575	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-73.5	-9.5	178.3	64	-102.5	0	0	0	113.6	D140 L144 H145	D140-F142 HydrophobicContact CB-CD1 3.62Å; D140-F142 HydrophobicContact CB-CD2 4.48Å; D140-F142 HydrophobicContact CB-CE1 3.32Å; D140-F142 HydrophobicContact CB-CE2 4.24Å; D140-F142 HydrophobicContact CB-CG 4.2Å; D140-F142 HydrophobicContact CB-CZ 3.66Å; D140-F142 PolarHBondContact O-N 3.19Å; D140-F142 VanDerWaalsContact O-N 3.17Å; D140-F142 VanDerWaalsContact OD2-CE1 3.27Å; D140-F142 WeakPolarHBondContact OD2-CE1 3.38Å; D140-F142 VanDerWaalsContact OD2-CZ 3.27Å; D140-F142 WeakPolarHBondContact OD2-CZ 3.35Å; F142-L144 VanDerWaalsContact C-N 3.35Å; F142-H145 PolarHBondContact O-CE1 2.99Å; F142-H145 VanDerWaalsContact O-CE1 3.26Å
143	Q	96.8	Very high	95	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.028	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-85.5	-9.6	169.2	-63	173.7	-107.9	0	0	112.7	I139 D140 D141 V190 D191 R193	I139-Q143 HydrophobicContact CG2-CB 3.79Å; I139-Q143 HydrophobicContact CG2-CG 4.47Å; D140-Q143 HydrophobicContact CB-CG 4.48Å; D140-Q143 WeakPolarHBondContact O-CB 3.18Å; D140-Q143 PolarHBondContact O-N 2.72Å; D141-Q143 PolarHBondContact O-N 3.45Å; Q143-V190 WeakPolarHBondContact O-CA 3.15Å; Q143-D191 HydrophobicContact CB-CB 4.43Å; Q143-D191 PolarHBondContact NE2-O 2.66Å; Q143-D191 PolarHBondContact O-N 2.9Å; Q143-R193 HydrophobicContact CG-CG 4.34Å
144	L	97.8	Very high	95	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.042	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.7	-173.7	-60.9	178	0	0	0	110.3	L134 I139 D141 F142 A156 R160 E189 V190	L134-L144 HydrophobicContact CD2-CD2 3.99Å; L134-L144 HydrophobicContact CG-CD2 4.34Å; I139-L144 HydrophobicContact CG2-CD2 3.82Å; I139-L144 HydrophobicContact CG2-CG 4.06Å; D141-L144 PolarHBondContact O-N 2.99Å; D141-L144 VanDerWaalsContact O-N 3.08Å; F142-L144 VanDerWaalsContact C-N 3.35Å; L144-A156 HydrophobicContact CB-CB 4.09Å; L144-R160 HydrophobicContact CD1-CG 4.23Å; L144-E189 WeakPolarHBondContact CA-O 3.39Å; L144-V190 HydrophobicContact CD2-CB 4.37Å; L144-V190 HydrophobicContact CD2-CG1 4.16Å; L144-V190 HydrophobicContact CD2-CG2 3.78Å
145	H	97.6	Very high	95.1	Very high	86 Å²	86	46 Å²	46	40%	0.398	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	160.3	-179.6	-64.6	-14.5	0	0	0	110.8	F142 W187 E189	F142-H145 PolarHBondContact O-CE1 2.99Å; F142-H145 VanDerWaalsContact O-CE1 3.26Å; H145-W187 HydrophobicContact CB-CZ3 4.16Å; H145-E189 HydrophobicContact CB-CB 4.1Å; H145-E189 HydrophobicContact CB-CG 4.46Å; H145-E189 IonicContact CD2-OE1 3.44Å; H145-E189 PolarHBondContact N-O 2.99Å; H145-E189 PolarHBondContact O-N 3.28Å
146	A	97.9	Very high	95.2	Very high	30 Å²	30	45.7 Å²	45.7	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	155.2	175.8	0	0	0	0	0	112.4	S148 A156 W177 W187	A146-S148 VanDerWaalsContact C-N 3.25Å; A146-S148 PolarHBondContact O-N 2.88Å; A146-A156 HydrophobicContact CB-CB 3.95Å; A146-W177 HydrophobicContact CB-CZ2 4.11Å; A146-W177 VanDerWaalsContact CB-NE1 3.32Å; A146-W187 VanDerWaalsContact C-CZ3 3.44Å; A146-W187 CarbonylContact C-O 3.31Å; A146-W187 VanDerWaalsContact CA-CZ3 3.5Å; A146-W187 VanDerWaalsContact CA-O 3.23Å; A146-W187 WeakPolarHBondContact CA-O 3.5Å; A146-W187 WeakPolarHBondContact CB-O 3.34Å
147	S	97.5	Very high	95.3	Very high	33 Å²	33	45.9 Å²	45.9	23%	0.231	23%	0.227	C	C	.	.	S	Bend	trans	-58.1	-34.6	176.3	55.6	0	0	0	0	114.2	Q186 W187	S147-Q186 WeakPolarHBondContact OG-CA 3.47Å; S147-Q186 WeakPolarHBondContact OG-CB 3.36Å; S147-Q186 PolarHBondContact OG-OE1 2.95Å; S147-W187 PolarHBondContact N-O 3.42Å; S147-W187 PolarHBondContact OG-N 2.69Å; S147-W187 PolarHBondContact OG-O 3.02Å
148	S	97.8	Very high	95.5	Very high	27 Å²	27	44.7 Å²	44.7	19%	0.189	22%	0.22	C	C	.	.			trans	-166.9	170.1	173.1	67.7	0	0	0	0	109.2	A146 W177 G180 Q186	A146-S148 VanDerWaalsContact C-N 3.25Å; A146-S148 PolarHBondContact O-N 2.88Å; S148-W177 PolarHBondContact O-NE1 3.26Å; S148-G180 PolarHBondContact OG-N 3.04Å; S148-Q186 PolarHBondContact OG-OE1 3.37Å
149	T	96.8	Very high	95.8	Very high	61 Å²	61	41.3 Å²	41.3	37%	0.374	21%	0.206	S	C	.	.			trans	-137.2	151	168.8	178.4	0	0	0	0	110.9	R151 L154 G155 C178	T149-R151 PolarHBondContact OG1-N 2.94Å; T149-R151 PolarHBondContact OG1-O 3.4Å; T149-L154 PolarHBondContact OG1-O 2.95Å; T149-G155 PolarHBondContact OG1-N 3.14Å; T149-C178 CarbonylContact C-O 3.58Å; T149-C178 VanDerWaalsContact CA-O 3.27Å; T149-C178 WeakPolarHBondContact CA-O 3.22Å
150	K	94.9	Very high	96	Very high	97 Å²	97	40.9 Å²	40.9	42%	0.422	20%	0.203	S	C	.	.	S	Bend	trans	-71.2	-33.5	177.4	-161.7	166.7	-177.7	170.9	0	112.6	L154 C178 S276	K150-L154 HydrophobicContact CB-CB 4.43Å; K150-L154 HydrophobicContact CB-CD1 4.09Å; K150-L154 HydrophobicContact CD-CD1 4.12Å; K150-L154 HydrophobicContact CG-CD1 4.42Å; K150-C178 HydrophobicContact CB-CB 4.14Å; K150-C178 HydrophobicContact CD-CB 4.29Å; K150-C178 PolarHBondContact N-O 2.96Å; K150-S276 PolarHBondContact NZ-OG 2.9Å
151	R	93.3	Very high	96.1	Very high	62 Å²	62	37.8 Å²	37.8	23%	0.234	19%	0.187	C	C	.	.	S	Bend	trans	-171.4	167.1	177.7	51.2	163	166.5	-100.9	12.4	109.6	T149 G153 L154 G155 D170 D174	T149-R151 PolarHBondContact OG1-N 2.94Å; T149-R151 PolarHBondContact OG1-O 3.4Å; R151-G153 PolarHBondContact O-N 3.45Å; R151-L154 HydrophobicContact CG-CB 3.98Å; R151-L154 HydrophobicContact CG-CD1 3.91Å; R151-L154 HydrophobicContact CG-CG 3.98Å; R151-L154 CarbonylContact O-C 3.46Å; R151-L154 WeakPolarHBondContact O-CA 3.37Å; R151-L154 PolarHBondContact O-N 3.45Å; R151-G155 PolarHBondContact O-N 3.49Å; R151-D170 IonicContact CZ-OD1 2.76Å; R151-D170 IonicContact NE-OD1 3.45Å; R151-D170 IonicContact NH1-OD1 3.5Å; R151-D170 PolarHBondContact NH1-OD1 2.98Å; R151-D170 IonicContact NH1-OD2 3.19Å; R151-D170 IonicContact NH2-OD1 3.18Å; R151-D170 PolarHBondContact NH2-OD1 3.45Å; R151-D174 IonicContact CZ-OD2 3.62Å; R151-D174 IonicContact NE-OD2 3.84Å; R151-D174 PolarHBondContact NE-OD2 3.39Å; R151-D174 IonicContact NH2-OD1 3.9Å; R151-D174 PolarHBondContact NH2-OD1 3.01Å; R151-D174 IonicContact NH2-OD2 2.86Å; R151-D174 PolarHBondContact NH2-OD2 2.87Å
152	Y	91.9	Very high	96.1	Very high	153 Å²	153	35.6 Å²	35.6	60%	0.6	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-51.3	-51.5	-179.5	-176.3	-85.5	0	0	0	113.4	L154 G155 H157 L172	Y152-L154 PolarHBondContact O-N 3.25Å; Y152-G155 PolarHBondContact O-N 2.83Å; Y152-H157 AromaticContact CE1-CE1 3.65Å; Y152-H157 AromaticContact CE1-NE2 3.7Å; Y152-H157 AromaticContact CZ-CE1 3.74Å; Y152-H157 PolarHBondContact O-CE1 3.48Å; Y152-L172 HydrophobicContact CD1-CD1 3.53Å; Y152-L172 HydrophobicContact CD1-CG 4.27Å; Y152-L172 HydrophobicContact CE1-CD1 3.74Å; Y152-L172 HydrophobicContact CE1-CG 4.2Å; Y152-L172 HydrophobicContact CG-CD1 4.49Å
153	G	91.8	Very high	96.1	Very high	2 Å²	2	29.5 Å²	29.5	2%	0.021	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-64	-5.5	178.6	0	0	0	0	0	115.2	R151 R158 L172 D174	R151-G153 PolarHBondContact O-N 3.45Å; G153-R158 WeakPolarHBondContact O-CG 3.4Å; G153-L172 WeakPolarHBondContact CA-O 3.26Å; G153-D174 WeakPolarHBondContact O-CB 3.38Å; G153-D174 PolarHBondContact O-N 3.01Å
154	L	95.4	Very high	95.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-116.2	26.4	172.3	-70.1	173.4	0	0	0	111.9	T149 K150 R151 Y152 D174 A176 W177 C178	T149-L154 PolarHBondContact OG1-O 2.95Å; K150-L154 HydrophobicContact CB-CB 4.43Å; K150-L154 HydrophobicContact CB-CD1 4.09Å; K150-L154 HydrophobicContact CD-CD1 4.12Å; K150-L154 HydrophobicContact CG-CD1 4.42Å; R151-L154 HydrophobicContact CG-CB 3.98Å; R151-L154 HydrophobicContact CG-CD1 3.91Å; R151-L154 HydrophobicContact CG-CG 3.98Å; R151-L154 CarbonylContact O-C 3.46Å; R151-L154 WeakPolarHBondContact O-CA 3.37Å; R151-L154 PolarHBondContact O-N 3.45Å; Y152-L154 PolarHBondContact O-N 3.25Å; L154-D174 HydrophobicContact CD2-CB 3.31Å; L154-D174 HydrophobicContact CG-CB 3.81Å; L154-A176 WeakPolarHBondContact CA-O 3.19Å; L154-A176 WeakPolarHBondContact CD2-O 3.05Å; L154-W177 WeakPolarHBondContact O-CA 3.4Å; L154-C178 HydrophobicContact CB-CB 3.99Å; L154-C178 HydrophobicContact CD1-CB 3.92Å; L154-C178 HydrophobicContact CD2-CB 4.27Å; L154-C178 HydrophobicContact CG-CB 4.29Å; L154-C178 PolarHBondContact O-N 3.48Å
155	G	96.5	Very high	95.7	Very high	6 Å²	6	31.8 Å²	31.8	6%	0.062	16%	0.163	C	C	.	.	S	Bend	trans	-73.5	171.4	-179.7	0	0	0	0	0	114.2	T149 R151 Y152 H157 R158	T149-G155 PolarHBondContact OG1-N 3.14Å; R151-G155 PolarHBondContact O-N 3.49Å; Y152-G155 PolarHBondContact O-N 2.83Å; G155-H157 PolarHBondContact O-N 2.9Å; G155-H157 VanDerWaalsContact O-N 3.14Å; G155-R158 WeakPolarHBondContact O-CB 3.4Å; G155-R158 PolarHBondContact O-N 2.89Å
156	A	97.1	Very high	95.1	Very high	12 Å²	12	28.4 Å²	28.4	10%	0.099	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-55.3	-32.6	178.5	0	0	0	0	0	113	L144 A146 R158 G159 L188	L144-A156 HydrophobicContact CB-CB 4.09Å; A146-A156 HydrophobicContact CB-CB 3.95Å; A156-R158 PolarHBondContact O-N 3.39Å; A156-R158 VanDerWaalsContact O-N 3.13Å; A156-G159 PolarHBondContact O-N 3.04Å; A156-L188 HydrophobicContact CB-CD1 3.83Å
157	H	95.5	Very high	94.2	Very high	25 Å²	25	32.1 Å²	32.1	12%	0.116	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-62.3	-15	175.5	65	-95.5	0	0	0	115.2	D141 Y152 G155 R160 R561	D141-H157 HydrophobicContact CB-CB 4.13Å; D141-H157 WeakPolarHBondContact OD1-CB 3.11Å; D141-H157 WeakPolarHBondContact OD2-CB 3.49Å; D141-H157 IonicContact OD2-CG 3.09Å; Y152-H157 AromaticContact CE1-CE1 3.65Å; Y152-H157 AromaticContact CE1-NE2 3.7Å; Y152-H157 AromaticContact CZ-CE1 3.74Å; Y152-H157 PolarHBondContact O-CE1 3.48Å; G155-H157 PolarHBondContact O-N 2.9Å; G155-H157 VanDerWaalsContact O-N 3.14Å; H157-R160 WeakPolarHBondContact O-CD 3.46Å; H157-R160 PolarHBondContact O-NE 3.48Å; H157-R160 VanDerWaalsContact O-NE 3.09Å; H157-R561 PolarHBondContact O-NH2 2.94Å
158	R	96.4	Very high	93.2	Very high	3 Å²	3	39 Å²	39	1%	0.011	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-103	0.2	174.2	-52.1	-63.4	-67.4	-179.3	0.9	112.3	G153 G155 A156 R160 I163 Q164 Y173 D174 A176 W177 H564	G153-R158 WeakPolarHBondContact O-CG 3.4Å; G155-R158 WeakPolarHBondContact O-CB 3.4Å; G155-R158 PolarHBondContact O-N 2.89Å; A156-R158 PolarHBondContact O-N 3.39Å; A156-R158 VanDerWaalsContact O-N 3.13Å; R158-R160 PolarHBondContact O-N 3.38Å; R158-I163 WeakPolarHBondContact O-CG2 3.41Å; R158-Q164 PolarHBondContact NH2-O 2.04Å; R158-Y173 VanDerWaalsContact NH2-C 3.3Å; R158-Y173 PolarHBondContact NH2-O 3.4Å; R158-D174 PolarHBondContact NE-O 3.18Å; R158-D174 PolarHBondContact NH2-O 3.17Å; R158-A176 VanDerWaalsContact CB-O 3.29Å; R158-A176 WeakPolarHBondContact CB-O 3.42Å; R158-A176 CarbonylContact O-C 3.48Å; R158-A176 WeakPolarHBondContact O-CA 3.46Å; R158-W177 PolarHBondContact O-N 2.7Å; R158-H564 PolarHBondContact NH1-O 2.93Å; R158-H564 PolarHBondContact NH2-O 3.03Å
159	G	97.1	Very high	92.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.			trans	-75	21	174.9	0	0	0	0	0	114.5	A156 A281	A156-G159 PolarHBondContact O-N 3.04Å; G159-A281 PolarHBondContact O-N 3.28Å
160	R	97.3	Very high	91.4	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-88.9	144.7	-175.1	-62.4	169.1	179.2	-85.3	2.1	110.5	L134 I139 D141 L144 H157 R158 I163 R280 A281	L134-R160 HydrophobicContact CB-CB 4.32Å; L134-R160 HydrophobicContact CB-CG 4.2Å; L134-R160 WeakPolarHBondContact O-CB 3.32Å; L134-R160 VanDerWaalsContact O-CD 3.22Å; L134-R160 WeakPolarHBondContact O-CD 3.35Å; L134-R160 VanDerWaalsContact O-CG 3.25Å; L134-R160 WeakPolarHBondContact O-CG 3.42Å; L134-R160 PolarHBondContact O-NH1 3.13Å; I139-R160 VanDerWaalsContact O-CZ 3.24Å; I139-R160 PolarHBondContact O-NH1 2.63Å; I139-R160 PolarHBondContact O-NH2 2.83Å; D141-R160 IonicContact OD1-CZ 2.68Å; D141-R160 IonicContact OD1-NE 3.13Å; D141-R160 IonicContact OD1-NH2 2.94Å; D141-R160 PolarHBondContact OD1-NH2 3.13Å; L144-R160 HydrophobicContact CD1-CG 4.23Å; H157-R160 WeakPolarHBondContact O-CD 3.46Å; H157-R160 PolarHBondContact O-NE 3.48Å; H157-R160 VanDerWaalsContact O-NE 3.09Å; R158-R160 PolarHBondContact O-N 3.38Å; R160-I163 HydrophobicContact CB-CB 4.37Å; R160-I163 HydrophobicContact CB-CG2 4.45Å; R160-I163 WeakPolarHBondContact O-CG2 3.42Å; R160-R280 WeakPolarHBondContact O-CB 3.45Å; R160-R280 WeakPolarHBondContact O-CD 3.47Å; R160-R280 WeakPolarHBondContact O-CG 3.25Å; R160-A281 CarbonylContact C-O 3.6Å
161	L	97.2	Very high	90.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	145.3	174.7	-172.3	65.4	0	0	0	110.5	E135 I163 V202 Q204 P250 A281 E282 E429	E135-L161 HydrophobicContact CB-CB 4.31Å; E135-L161 WeakPolarHBondContact OE2-CD2 3.47Å; E135-L161 WeakPolarHBondContact OE2-CG 3.28Å; L161-I163 PolarHBondContact O-N 2.75Å; L161-V202 HydrophobicContact CD1-CG1 4.2Å; L161-V202 HydrophobicContact CD2-CB 4.4Å; L161-V202 HydrophobicContact CD2-CG1 4.12Å; L161-Q204 HydrophobicContact CD1-CB 3.7Å; L161-Q204 HydrophobicContact CD1-CG 4.45Å; L161-P250 HydrophobicContact CD1-CB 4.18Å; L161-P250 HydrophobicContact CD1-CG 4.33Å; L161-A281 PolarHBondContact N-O 3.11Å; L161-E282 HydrophobicContact CB-CB 3.83Å; L161-E282 HydrophobicContact CD2-CB 3.73Å; L161-E282 HydrophobicContact CG-CB 4.38Å; L161-E429 HydrophobicContact CD2-CB 4.3Å
162	N	96	Very high	90.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-2.4	174.9	-76.5	-44.6	0	0	0	118.1	E135 Q164 Q204 R280 G432 W433	E135-N162 VanDerWaalsContact CD-CB 3.47Å; E135-N162 VanDerWaalsContact CD-ND2 3.27Å; E135-N162 HydrophobicContact CG-CB 4.38Å; E135-N162 WeakPolarHBondContact OE1-CB 3.32Å; E135-N162 PolarHBondContact OE1-ND2 2.91Å; E135-N162 WeakPolarHBondContact OE2-CB 3.28Å; E135-N162 PolarHBondContact OE2-ND2 2.88Å; N162-Q164 PolarHBondContact O-N 2.85Å; N162-Q164 PolarHBondContact O-NE2 2.96Å; N162-Q204 PolarHBondContact OD1-NE2 3.21Å; N162-R280 PolarHBondContact O-NH1 3.16Å; N162-G432 VanDerWaalsContact OD1-CA 3.29Å; N162-G432 WeakPolarHBondContact OD1-CA 3.41Å; N162-W433 PolarHBondContact O-NE1 2.96Å
163	I	95.3	Very high	90.1	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-56.2	133.7	179.5	-161	170.5	0	0	0	111.4	R158 R160 L161 R280	R158-I163 WeakPolarHBondContact O-CG2 3.41Å; R160-I163 HydrophobicContact CB-CB 4.37Å; R160-I163 HydrophobicContact CB-CG2 4.45Å; R160-I163 WeakPolarHBondContact O-CG2 3.42Å; L161-I163 PolarHBondContact O-N 2.75Å; I163-R280 HydrophobicContact CG2-CG 4.07Å; I163-R280 WeakPolarHBondContact O-CD 3.45Å; I163-R280 PolarHBondContact O-NH1 3.29Å
164	Q	93.8	Very high	90	Very high	40 Å²	40	38.1 Å²	38.1	19%	0.187	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-95.2	151.5	-176	-64.1	-57.5	-42.3	0	0	112.8	R158 N162 S207 W433 H564	R158-Q164 PolarHBondContact NH2-O 2.04Å; N162-Q164 PolarHBondContact O-N 2.85Å; N162-Q164 PolarHBondContact O-NE2 2.96Å; Q164-S207 PolarHBondContact OE1-OG 2.78Å; Q164-S207 VanDerWaalsContact OE1-OG 3.09Å; Q164-W433 HydrophobicContact CG-CD2 3.9Å; Q164-W433 HydrophobicContact CG-CE3 4.08Å; Q164-W433 HydrophobicContact CG-CH2 3.83Å; Q164-W433 HydrophobicContact CG-CZ2 3.65Å; Q164-W433 HydrophobicContact CG-CZ3 4.03Å; Q164-H564 HydrophobicContact CB-CB 4.07Å
165	A	92.2	Very high	89.9	Confident	22 Å²	22	38.1 Å²	38.1	18%	0.182	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-89	161.6	175.4	0	0	0	0	0	112.7	Y173 S207	A165-Y173 WeakPolarHBondContact CA-O 3.32Å; A165-S207 WeakPolarHBondContact CB-O 3.21Å; A165-S207 PolarHBondContact N-OG 3.09Å
166	G	84.5	Confident	90	Very high	15 Å²	15	37.8 Å²	37.8	16%	0.155	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-64.7	171.5	161.2	0	0	0	0	0	113.3	Y168 Y173	G166-Y168 PolarHBondContact O-N 2.83Å; G166-Y173 PolarHBondContact N-O 3.41Å
167	L	79.6	Confident	90	Very high	108 Å²	108	37.2 Å²	37.2	57%	0.565	18%	0.184	S	C	*	.	S	Bend	trans	-69.8	-21	175.1	-66.2	175.6	0	0	0	113	L209 W210	L167-L209 HydrophobicContact CD2-CD1 4.07Å; L167-W210 PolarHBondContact O-NE1 2.87Å
168	Y	77.4	Confident	90.1	Very high	178 Å²	178	36 Å²	36	70%	0.698	18%	0.178	S	C	*	.	S	Bend	trans	-111.4	143.4	-177	-54.2	-71.1	0	0	0	109.6	G166	G166-Y168 PolarHBondContact O-N 2.83Å
169	E	77.4	Confident	90.2	Very high	61 Å²	61	36 Å²	36	29%	0.285	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	164.2	166.9	-57.9	-145.2	125.1	0	0	110.9	D171 R206 S208 W210 S211	E169-D171 PolarHBondContact O-N 2.99Å; E169-R206 IonicContact OE1-CZ 3.96Å; E169-R206 IonicContact OE1-NH1 2.69Å; E169-R206 IonicContact OE1-NH2 3.13Å; E169-R206 PolarHBondContact OE1-NH2 2.78Å; E169-R206 IonicContact OE2-NH2 2.76Å; E169-S208 PolarHBondContact OE1-OG 3.24Å; E169-W210 HydrophobicContact CG-CB 3.86Å; E169-W210 HydrophobicContact CG-CG 3.97Å; E169-S211 VanDerWaalsContact CD-OG 3.3Å; E169-S211 WeakPolarHBondContact OE1-CB 3.23Å; E169-S211 PolarHBondContact OE1-OG 3.48Å; E169-S211 PolarHBondContact OE2-OG 3.4Å; E169-S211 VanDerWaalsContact OE2-OG 3.09Å
170	D	79.1	Confident	90.2	Very high	112 Å²	112	37.8 Å²	37.8	60%	0.599	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	14.6	174.3	-56.1	0.3	0	0	0	114.2	R151	R151-D170 IonicContact CZ-OD1 2.76Å; R151-D170 IonicContact NE-OD1 3.45Å; R151-D170 IonicContact NH1-OD1 3.5Å; R151-D170 PolarHBondContact NH1-OD1 2.98Å; R151-D170 IonicContact NH1-OD2 3.19Å; R151-D170 IonicContact NH2-OD1 3.18Å; R151-D170 PolarHBondContact NH2-OD1 3.45Å
171	D	82.4	Confident	90.1	Very high	52 Å²	52	44.9 Å²	44.9	28%	0.278	22%	0.224	S	C	.	.	S	Bend	trans	-83.1	-169.5	175.1	79.9	4.5	0	0	0	113.3	E169 Y173 D174	E169-D171 PolarHBondContact O-N 2.99Å; D171-Y173 PolarHBondContact O-N 2.87Å; D171-Y173 WeakPolarHBondContact OD1-CA 3.29Å; D171-Y173 PolarHBondContact OD1-N 3.47Å; D171-D174 PolarHBondContact OD1-N 3.02Å
172	L	84.6	Confident	90.1	Very high	90 Å²	90	48.3 Å²	48.3	47%	0.471	24%	0.242	S	C	.	.	S	Bend	trans	-75.7	-11.7	-179.7	-160.9	69.3	0	0	0	112.9	Y152 G153	Y152-L172 HydrophobicContact CD1-CD1 3.53Å; Y152-L172 HydrophobicContact CD1-CG 4.27Å; Y152-L172 HydrophobicContact CE1-CD1 3.74Å; Y152-L172 HydrophobicContact CE1-CG 4.2Å; Y152-L172 HydrophobicContact CG-CD1 4.49Å; G153-L172 WeakPolarHBondContact CA-O 3.26Å
173	Y	84.9	Confident	90.1	Very high	66 Å²	66	49.9 Å²	49.9	26%	0.259	25%	0.25	S	S	.	.			trans	-142.2	45	-160.5	-57.7	-58.1	0	0	0	113.2	R158 A165 G166 D171 T565	R158-Y173 VanDerWaalsContact NH2-C 3.3Å; R158-Y173 PolarHBondContact NH2-O 3.4Å; A165-Y173 WeakPolarHBondContact CA-O 3.32Å; G166-Y173 PolarHBondContact N-O 3.41Å; D171-Y173 PolarHBondContact O-N 2.87Å; D171-Y173 WeakPolarHBondContact OD1-CA 3.29Å; D171-Y173 PolarHBondContact OD1-N 3.47Å; Y173-T565 WeakPolarHBondContact CD2-O 3.19Å; Y173-T565 WeakPolarHBondContact CE2-O 3.37Å
174	D	91.3	Very high	90.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.266	C	S	.	.			trans	-60.2	159.3	167.3	-85.1	-81.8	0	0	0	112.2	R151 G153 L154 R158 D171 A176 R206	R151-D174 IonicContact CZ-OD2 3.62Å; R151-D174 IonicContact NE-OD2 3.84Å; R151-D174 PolarHBondContact NE-OD2 3.39Å; R151-D174 IonicContact NH2-OD1 3.9Å; R151-D174 PolarHBondContact NH2-OD1 3.01Å; R151-D174 IonicContact NH2-OD2 2.86Å; R151-D174 PolarHBondContact NH2-OD2 2.87Å; G153-D174 WeakPolarHBondContact O-CB 3.38Å; G153-D174 PolarHBondContact O-N 3.01Å; L154-D174 HydrophobicContact CD2-CB 3.31Å; L154-D174 HydrophobicContact CG-CB 3.81Å; R158-D174 PolarHBondContact NE-O 3.18Å; R158-D174 PolarHBondContact NH2-O 3.17Å; D171-D174 PolarHBondContact OD1-N 3.02Å; D174-A176 PolarHBondContact O-N 2.84Å; D174-R206 IonicContact OD1-CZ 2.71Å; D174-R206 IonicContact OD1-NE 3.99Å; D174-R206 IonicContact OD1-NH2 3.55Å; D174-R206 PolarHBondContact OD1-NH2 3.21Å
175	G	93.3	Very high	90.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-94.3	37.5	-170.2	0	0	0	0	0	117.1	S207 R280	G175-S207 WeakPolarHBondContact CA-O 3.05Å; G175-S207 PolarHBondContact N-O 2.8Å; G175-S207 PolarHBondContact O-N 3.24Å; G175-R280 VanDerWaalsContact O-CD 3.27Å; G175-R280 WeakPolarHBondContact O-CD 3.41Å; G175-R280 WeakPolarHBondContact O-CG 3.33Å
176	A	96.8	Very high	90.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	-168.6	167.6	168.3	0	0	0	0	0	112.8	L154 R158 D174 R206 C278 R280	L154-A176 WeakPolarHBondContact CA-O 3.19Å; L154-A176 WeakPolarHBondContact CD2-O 3.05Å; R158-A176 VanDerWaalsContact CB-O 3.29Å; R158-A176 WeakPolarHBondContact CB-O 3.42Å; R158-A176 CarbonylContact O-C 3.48Å; R158-A176 WeakPolarHBondContact O-CA 3.46Å; D174-A176 PolarHBondContact O-N 2.84Å; A176-R206 HydrophobicContact CB-CB 3.61Å; A176-R206 HydrophobicContact CB-CG 3.76Å; A176-C278 HydrophobicContact CB-CB 4.36Å; A176-R280 HydrophobicContact CB-CG 4.2Å
177	W	97.9	Very high	91.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.5	149	165	63.4	0	0	0	108.9	A146 S148 L154 R158 A179 Q186 W187 L188 P268 V277 C278 M279	A146-W177 HydrophobicContact CB-CZ2 4.11Å; A146-W177 VanDerWaalsContact CB-NE1 3.32Å; S148-W177 PolarHBondContact O-NE1 3.26Å; L154-W177 WeakPolarHBondContact O-CA 3.4Å; R158-W177 PolarHBondContact O-N 2.7Å; W177-A179 HydrophobicContact CH2-CB 4.36Å; W177-A179 HydrophobicContact CZ2-CB 3.81Å; W177-Q186 HydrophobicContact CH2-CB 4.23Å; W177-Q186 HydrophobicContact CZ2-CB 4.46Å; W177-W187 VanDerWaalsContact CH2-C 3.41Å; W177-W187 WeakPolarHBondContact CZ2-O 3.39Å; W177-L188 HydrophobicContact CB-CD1 4.23Å; W177-L188 HydrophobicContact CD2-CB 4.26Å; W177-L188 HydrophobicContact CD2-CD1 4.16Å; W177-L188 HydrophobicContact CE3-CB 3.75Å; W177-L188 HydrophobicContact CE3-CD1 4.36Å; W177-L188 HydrophobicContact CE3-CD2 4.41Å; W177-L188 HydrophobicContact CE3-CG 4.4Å; W177-L188 HydrophobicContact CG-CD1 4.09Å; W177-L188 HydrophobicContact CH2-CB 4.4Å; W177-L188 HydrophobicContact CZ3-CB 3.83Å; W177-P268 HydrophobicContact CH2-CG 4.45Å; W177-P268 HydrophobicContact CZ3-CG 4.27Å; W177-V277 HydrophobicContact CH2-CG1 4.39Å; W177-C278 CarbonylContact O-C 3.4Å; W177-C278 WeakPolarHBondContact O-CA 3.5Å; W177-M279 HydrophobicContact CE3-CG 3.62Å; W177-M279 HydrophobicContact CE3-SD 4.4Å; W177-M279 HydrophobicContact CZ3-CG 3.78Å; W177-M279 HydrophobicContact CZ3-SD 4.07Å; W177-M279 PolarHBondContact N-O 3.39Å; W177-M279 PolarHBondContact O-N 2.78Å
178	C	97.6	Very high	92.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.4	163.9	-63.5	0	0	0	0	110.2	T149 K150 L154 V277 C278	T149-C178 CarbonylContact C-O 3.58Å; T149-C178 VanDerWaalsContact CA-O 3.27Å; T149-C178 WeakPolarHBondContact CA-O 3.22Å; K150-C178 HydrophobicContact CB-CB 4.14Å; K150-C178 HydrophobicContact CD-CB 4.29Å; K150-C178 PolarHBondContact N-O 2.96Å; L154-C178 HydrophobicContact CB-CB 3.99Å; L154-C178 HydrophobicContact CD1-CB 3.92Å; L154-C178 HydrophobicContact CD2-CB 4.27Å; L154-C178 HydrophobicContact CG-CB 4.29Å; L154-C178 PolarHBondContact O-N 3.48Å; C178-V277 WeakPolarHBondContact CA-O 3.49Å; C178-C278 HydrophobicContact CB-CB 4.04Å; C178-C278 WeakPolarHBondContact CB-SG 3.34Å; C178-C278 WeakPolarHBondContact SG-CB 3.22Å; C178-C278 CovalentContact SG-SG 2.02Å; C178-C278 PolarHBondContact SG-SG 2.76Å
179	A	97.9	Very high	93.1	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	23%	0.227	C	C	.	.			trans	-65.6	153.5	172.9	0	0	0	0	0	111.8	W177 R181 Q186 V277	W177-A179 HydrophobicContact CH2-CB 4.36Å; W177-A179 HydrophobicContact CZ2-CB 3.81Å; A179-R181 VanDerWaalsContact C-N 3.26Å; A179-R181 PolarHBondContact O-N 2.76Å; A179-Q186 HydrophobicContact CB-CB 3.93Å; A179-Q186 HydrophobicContact CB-CG 3.61Å; A179-V277 HydrophobicContact CB-CB 4.14Å; A179-V277 HydrophobicContact CB-CG1 4.11Å; A179-V277 PolarHBondContact N-O 2.86Å
180	G	97.1	Very high	94.1	Very high	39 Å²	39	41.9 Å²	41.9	40%	0.402	22%	0.215	S	C	.	.	S	Bend	trans	-80.6	-3	174.4	0	0	0	0	0	114.2	S148	S148-G180 PolarHBondContact OG-N 3.04Å
181	R	96.3	Very high	94.9	Very high	149 Å²	149	37.4 Å²	37.4	56%	0.562	19%	0.191	S	C	*	.	S	Bend	trans	-147.1	137.6	176.8	-75.4	177.4	-74.4	178.4	-2.5	110	A179 D183 Q186	A179-R181 VanDerWaalsContact C-N 3.26Å; A179-R181 PolarHBondContact O-N 2.76Å; R181-D183 WeakPolarHBondContact CB-OD2 3.35Å; R181-D183 IonicContact NE-OD2 3.66Å; R181-D183 PolarHBondContact O-N 2.97Å; R181-D183 VanDerWaalsContact O-N 3.16Å; R181-Q186 VanDerWaalsContact O-CG 3.23Å; R181-Q186 WeakPolarHBondContact O-CG 3.27Å
182	D	96.4	Very high	95.5	Very high	75 Å²	75	35.4 Å²	35.4	40%	0.401	18%	0.181	S	C	.	.			trans	-89.6	73	178.3	-64.1	-43.7	0	0	0	110.3	W271 S276 V277	D182-W271 HydrophobicContact CB-CZ2 3.83Å; D182-W271 WeakPolarHBondContact O-CH2 3.34Å; D182-W271 WeakPolarHBondContact O-CZ2 3.47Å; D182-S276 WeakPolarHBondContact OD1-CA 3.49Å; D182-S276 VanDerWaalsContact OD1-CB 3.25Å; D182-S276 WeakPolarHBondContact OD1-CB 3.01Å; D182-S276 PolarHBondContact OD1-OG 2.82Å; D182-S276 PolarHBondContact OD2-OG 2.8Å; D182-V277 HydrophobicContact CB-CG2 4.34Å; D182-V277 PolarHBondContact OD1-N 3.48Å
183	D	96.4	Very high	95.9	Very high	34 Å²	34	36.2 Å²	36.2	18%	0.182	18%	0.178	C	C	.	.	S	Bend	trans	-136.3	161.5	-179.9	72.5	51.3	0	0	0	113.3	R181 L185 Q186	R181-D183 WeakPolarHBondContact CB-OD2 3.35Å; R181-D183 IonicContact NE-OD2 3.66Å; R181-D183 PolarHBondContact O-N 2.97Å; R181-D183 VanDerWaalsContact O-N 3.16Å; D183-L185 PolarHBondContact O-N 2.65Å; D183-L185 VanDerWaalsContact O-N 3.16Å; D183-L185 WeakPolarHBondContact OD1-CA 3.3Å; D183-L185 VanDerWaalsContact OD1-CB 3.23Å; D183-L185 WeakPolarHBondContact OD1-CB 3.32Å; D183-L185 PolarHBondContact OD1-N 3.08Å; D183-Q186 VanDerWaalsContact CG-NE2 3.27Å; D183-Q186 WeakPolarHBondContact O-CG 3.11Å; D183-Q186 PolarHBondContact OD1-NE2 2.88Å; D183-Q186 PolarHBondContact OD2-NE2 2.9Å; D183-Q186 VanDerWaalsContact OD2-NE2 3.14Å
184	P	95.3	Very high	96.1	Very high	53 Å²	53	37.1 Å²	37.1	34%	0.344	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	11.6	-177.3	-15	31.8	0	0	0	115.4	N267 R269	P184-N267 PolarHBondContact O-ND2 2.95Å; P184-R269 PolarHBondContact O-NH1 3.4Å
185	L	96.8	Very high	96.2	Very high	132 Å²	132	41.2 Å²	41.2	69%	0.691	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.4	175.5	-53.1	176	0	0	0	112.2	D183	D183-L185 PolarHBondContact O-N 2.65Å; D183-L185 VanDerWaalsContact O-N 3.16Å; D183-L185 WeakPolarHBondContact OD1-CA 3.3Å; D183-L185 VanDerWaalsContact OD1-CB 3.23Å; D183-L185 WeakPolarHBondContact OD1-CB 3.32Å; D183-L185 PolarHBondContact OD1-N 3.08Å
186	Q	98.1	Very high	96.3	Very high	3 Å²	3	41.3 Å²	41.3	1%	0.014	20%	0.203	C	C	.	.			trans	-74.3	153.2	-175.7	-53.8	-51.1	-52.7	0	0	113.1	S147 S148 W177 A179 R181 D183 N267 P268 V277	S147-Q186 WeakPolarHBondContact OG-CA 3.47Å; S147-Q186 WeakPolarHBondContact OG-CB 3.36Å; S147-Q186 PolarHBondContact OG-OE1 2.95Å; S148-Q186 PolarHBondContact OG-OE1 3.37Å; W177-Q186 HydrophobicContact CH2-CB 4.23Å; W177-Q186 HydrophobicContact CZ2-CB 4.46Å; A179-Q186 HydrophobicContact CB-CB 3.93Å; A179-Q186 HydrophobicContact CB-CG 3.61Å; R181-Q186 VanDerWaalsContact O-CG 3.23Å; R181-Q186 WeakPolarHBondContact O-CG 3.27Å; D183-Q186 VanDerWaalsContact CG-NE2 3.27Å; D183-Q186 WeakPolarHBondContact O-CG 3.11Å; D183-Q186 PolarHBondContact OD1-NE2 2.88Å; D183-Q186 PolarHBondContact OD2-NE2 2.9Å; D183-Q186 VanDerWaalsContact OD2-NE2 3.14Å; Q186-N267 WeakPolarHBondContact O-CA 3.28Å; Q186-N267 PolarHBondContact O-ND2 3.17Å; Q186-P268 WeakPolarHBondContact O-CD 3.35Å; Q186-V277 HydrophobicContact CB-CG1 4.36Å
187	W	98	Very high	96.2	Very high	57 Å²	57	43 Å²	43	22%	0.216	21%	0.211	C	C	.	.			trans	-157.2	151	177.4	48.3	-98	0	0	0	112.5	H145 A146 S147 W177 E189 R265 V266	H145-W187 HydrophobicContact CB-CZ3 4.16Å; A146-W187 VanDerWaalsContact C-CZ3 3.44Å; A146-W187 CarbonylContact C-O 3.31Å; A146-W187 VanDerWaalsContact CA-CZ3 3.5Å; A146-W187 VanDerWaalsContact CA-O 3.23Å; A146-W187 WeakPolarHBondContact CA-O 3.5Å; A146-W187 WeakPolarHBondContact CB-O 3.34Å; S147-W187 PolarHBondContact N-O 3.42Å; S147-W187 PolarHBondContact OG-N 2.69Å; S147-W187 PolarHBondContact OG-O 3.02Å; W177-W187 VanDerWaalsContact CH2-C 3.41Å; W177-W187 WeakPolarHBondContact CZ2-O 3.39Å; W187-E189 HydrophobicContact CE3-CB 3.66Å; W187-E189 HydrophobicContact CZ3-CB 3.54Å; W187-E189 HydrophobicContact CZ3-CG 4.45Å; W187-E189 WeakPolarHBondContact CZ3-OE2 3.2Å; W187-R265 HydrophobicContact CB-CB 4.43Å; W187-R265 HydrophobicContact CB-CG 4.2Å; W187-R265 HydrophobicContact CD2-CG 4.1Å; W187-R265 HydrophobicContact CE3-CG 3.94Å; W187-R265 HydrophobicContact CG-CG 4.22Å; W187-V266 WeakPolarHBondContact CA-O 3.42Å; W187-V266 WeakPolarHBondContact CB-O 3.25Å
188	L	98.5	Very high	96.2	Very high	5 Å²	5	43 Å²	43	3%	0.026	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.6	162.2	-176.7	66.9	0	0	0	107.8	A156 W177 R265 V266 M279 A281	A156-L188 HydrophobicContact CB-CD1 3.83Å; W177-L188 HydrophobicContact CB-CD1 4.23Å; W177-L188 HydrophobicContact CD2-CB 4.26Å; W177-L188 HydrophobicContact CD2-CD1 4.16Å; W177-L188 HydrophobicContact CE3-CB 3.75Å; W177-L188 HydrophobicContact CE3-CD1 4.36Å; W177-L188 HydrophobicContact CE3-CD2 4.41Å; W177-L188 HydrophobicContact CE3-CG 4.4Å; W177-L188 HydrophobicContact CG-CD1 4.09Å; W177-L188 HydrophobicContact CH2-CB 4.4Å; W177-L188 HydrophobicContact CZ3-CB 3.83Å; L188-R265 CarbonylContact O-C 3.55Å; L188-R265 VanDerWaalsContact O-CA 3.24Å; L188-R265 WeakPolarHBondContact O-CA 3.4Å; L188-V266 PolarHBondContact N-O 2.96Å; L188-V266 PolarHBondContact O-N 2.88Å; L188-M279 HydrophobicContact CD2-CE 4.5Å; L188-A281 HydrophobicContact CD2-CB 4.33Å
189	E	98.3	Very high	96.2	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.028	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.9	-176.3	176.1	177.5	128.4	0	0	111.5	L144 H145 W187 W229 I264 R265	L144-E189 WeakPolarHBondContact CA-O 3.39Å; H145-E189 HydrophobicContact CB-CB 4.1Å; H145-E189 HydrophobicContact CB-CG 4.46Å; H145-E189 IonicContact CD2-OE1 3.44Å; H145-E189 PolarHBondContact N-O 2.99Å; H145-E189 PolarHBondContact O-N 3.28Å; W187-E189 HydrophobicContact CE3-CB 3.66Å; W187-E189 HydrophobicContact CZ3-CB 3.54Å; W187-E189 HydrophobicContact CZ3-CG 4.45Å; W187-E189 WeakPolarHBondContact CZ3-OE2 3.2Å; E189-W229 HydrophobicContact CG-CH2 4.15Å; E189-W229 WeakPolarHBondContact OE2-CZ2 3.46Å; E189-I264 CarbonylContact C-O 3.37Å; E189-I264 VanDerWaalsContact CA-O 3.28Å; E189-I264 WeakPolarHBondContact CA-O 3.39Å; E189-R265 HydrophobicContact CB-CG 3.74Å; E189-R265 HydrophobicContact CG-CG 4.08Å; E189-R265 IonicContact OE2-CZ 3.7Å; E189-R265 IonicContact OE2-NE 2.77Å; E189-R265 PolarHBondContact OE2-NE 2.95Å; E189-R265 IonicContact OE2-NH2 3.78Å; E189-R265 PolarHBondContact OE2-NH2 3.39Å
190	V	98.4	Very high	96.1	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.024	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.7	171.5	-169.9	0	0	0	0	109.6	L134 I139 Q143 L144 Y263 I264 I283	L134-V190 HydrophobicContact CD1-CG1 4.47Å; L134-V190 HydrophobicContact CD1-CG2 4.43Å; L134-V190 HydrophobicContact CD2-CG2 4.09Å; I139-V190 HydrophobicContact CG2-CG1 4.08Å; Q143-V190 WeakPolarHBondContact O-CA 3.15Å; L144-V190 HydrophobicContact CD2-CB 4.37Å; L144-V190 HydrophobicContact CD2-CG1 4.16Å; L144-V190 HydrophobicContact CD2-CG2 3.78Å; V190-Y263 WeakPolarHBondContact O-CA 3.34Å; V190-I264 HydrophobicContact CB-CG2 3.9Å; V190-I264 HydrophobicContact CG2-CG2 4.45Å; V190-I264 PolarHBondContact N-O 3.4Å; V190-I264 PolarHBondContact O-N 2.96Å; V190-I264 VanDerWaalsContact O-N 3.08Å; V190-I283 HydrophobicContact CB-CG1 4.43Å; V190-I283 HydrophobicContact CG2-CD1 4.37Å; V190-I283 HydrophobicContact CG2-CG1 3.83Å
191	D	97.4	Very high	96.2	Very high	19 Å²	19	41.3 Å²	41.3	10%	0.102	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.1	167.4	-177.5	0	0	0	0	110.3	Q143 R193 R262 Y263	Q143-D191 HydrophobicContact CB-CB 4.43Å; Q143-D191 PolarHBondContact NE2-O 2.66Å; Q143-D191 PolarHBondContact O-N 2.9Å; D191-R193 PolarHBondContact O-N 2.7Å; D191-R193 WeakPolarHBondContact OD1-CA 3.32Å; D191-R193 PolarHBondContact OD1-N 2.79Å; D191-R262 WeakPolarHBondContact OD1-CG 3.36Å; D191-R262 IonicContact OD1-CZ 3.75Å; D191-R262 IonicContact OD1-NE 3.9Å; D191-R262 PolarHBondContact OD1-NE 2.74Å; D191-R262 IonicContact OD1-NH2 2.73Å; D191-R262 PolarHBondContact OD1-NH2 3.11Å; D191-R262 IonicContact OD2-CZ 3.71Å; D191-R262 IonicContact OD2-NE 3.96Å; D191-R262 PolarHBondContact OD2-NE 2.86Å; D191-R262 IonicContact OD2-NH2 2.84Å; D191-R262 PolarHBondContact OD2-NH2 2.89Å; D191-Y263 HydrophobicContact CB-CD1 3.69Å; D191-Y263 HydrophobicContact CB-CE1 3.53Å; D191-Y263 WeakPolarHBondContact OD2-CE1 3.45Å; D191-Y263 PolarHBondContact OD2-OH 3.14Å
192	A	94.8	Very high	96.3	Very high	9 Å²	9	34.2 Å²	34.2	7%	0.074	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-1.1	177.1	0	0	0	0	0	114.2	M132 R194 T196 F198 R262	M132-A192 HydrophobicContact CE-CB 3.61Å; A192-R194 PolarHBondContact O-N 3Å; A192-T196 HydrophobicContact CB-CG2 4.35Å; A192-T196 VanDerWaalsContact CB-OG1 3.31Å; A192-T196 WeakPolarHBondContact CB-OG1 3.37Å; A192-F198 HydrophobicContact CB-CE1 4.4Å; A192-F198 HydrophobicContact CB-CZ 4.03Å; A192-R262 WeakPolarHBondContact CB-O 3.5Å; A192-R262 PolarHBondContact N-O 2.93Å
193	R	92.3	Very high	96.4	Very high	107 Å²	107	30.7 Å²	30.7	40%	0.404	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.3	-32.6	-170.3	-46.3	-173.1	-157.8	-168.4	5.2	115.4	D140 Q143 D191 R262	D140-R193 IonicContact OD2-CZ 3.68Å; D140-R193 IonicContact OD2-NH1 2.76Å; D140-R193 IonicContact OD2-NH2 2.67Å; D140-R193 PolarHBondContact OD2-NH2 2.83Å; Q143-R193 HydrophobicContact CG-CG 4.34Å; D191-R193 PolarHBondContact O-N 2.7Å; D191-R193 WeakPolarHBondContact OD1-CA 3.32Å; D191-R193 PolarHBondContact OD1-N 2.79Å; R193-R262 PolarHBondContact O-NE 1.75Å
194	R	89.8	Confident	96.5	Very high	85 Å²	85	29.2 Å²	29.2	32%	0.321	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	159	-179.5	50.1	178.8	166.3	174.7	-1.3	111.1	A192 T196 P287 E300	A192-R194 PolarHBondContact O-N 3Å; R194-T196 PolarHBondContact O-N 3.09Å; R194-T196 PolarHBondContact O-OG1 3.43Å; R194-P287 HydrophobicContact CG-CB 4.13Å; R194-P287 VanDerWaalsContact NE-CB 3.29Å; R194-E300 IonicContact NH1-OE1 3.76Å; R194-E300 IonicContact NH2-OE1 3.88Å
195	L	93.4	Very high	96.5	Very high	88 Å²	88	26.7 Å²	26.7	46%	0.461	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	127.8	173.6	-69.1	176.7	0	0	0	109.8	N224 V260 L288	L195-N224 WeakPolarHBondContact CD2-OD1 3.22Å; L195-V260 HydrophobicContact CB-CG1 4.36Å; L195-L288 HydrophobicContact CB-CD1 4.28Å; L195-L288 WeakPolarHBondContact O-CB 3.38Å; L195-L288 PolarHBondContact O-N 3.41Å
196	T	94.6	Very high	96.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	133.5	-167.9	-64.5	0	0	0	0	108.7	M132 A192 R194 F198 V260 A261 C286	M132-T196 HydrophobicContact CE-CG2 4.22Å; M132-T196 HydrophobicContact SD-CG2 4.08Å; A192-T196 HydrophobicContact CB-CG2 4.35Å; A192-T196 VanDerWaalsContact CB-OG1 3.31Å; A192-T196 WeakPolarHBondContact CB-OG1 3.37Å; R194-T196 PolarHBondContact O-N 3.09Å; R194-T196 PolarHBondContact O-OG1 3.43Å; T196-F198 HydrophobicContact CG2-CD1 4.06Å; T196-F198 HydrophobicContact CG2-CE1 3.87Å; T196-F198 HydrophobicContact CG2-CZ 4.23Å; T196-F198 PolarHBondContact O-N 3.12Å; T196-V260 WeakPolarHBondContact O-CA 3.47Å; T196-A261 PolarHBondContact N-O 3.12Å; T196-A261 PolarHBondContact O-N 3.4Å; T196-A261 VanDerWaalsContact O-O 3.11Å; T196-C286 WeakPolarHBondContact CA-O 3.38Å
197	K	96.1	Very high	96.4	Very high	36 Å²	36	20.9 Å²	20.9	16%	0.157	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	94.6	174.7	177.5	-176	170.6	172	0	108	E127 P258 V260 G285 C286 L288	E127-K197 IonicContact OE2-NZ 3.46Å; E127-K197 PolarHBondContact OE2-NZ 3.17Å; K197-P258 HydrophobicContact CD-CB 4.34Å; K197-P258 VanDerWaalsContact CE-CB 3.45Å; K197-P258 HydrophobicContact CG-CB 3.93Å; K197-V260 HydrophobicContact CB-CG2 4.23Å; K197-G285 CarbonylContact O-C 3.55Å; K197-G285 VanDerWaalsContact O-CA 3.28Å; K197-G285 WeakPolarHBondContact O-CA 3.46Å; K197-C286 HydrophobicContact CB-CB 4.4Å; K197-C286 PolarHBondContact N-O 2.7Å; K197-C286 PolarHBondContact O-N 2.85Å; K197-L288 HydrophobicContact CB-CD2 4.29Å
198	F	97.2	Very high	96.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	135.1	175.5	-58	-71.6	0	0	0	110.5	M132 A192 T196 V222 F255 P258 V259 A261 I264 I283 L284	M132-F198 HydrophobicContact CE-CE1 4.18Å; M132-F198 HydrophobicContact SD-CD1 4Å; M132-F198 HydrophobicContact SD-CE1 3.63Å; A192-F198 HydrophobicContact CB-CE1 4.4Å; A192-F198 HydrophobicContact CB-CZ 4.03Å; T196-F198 HydrophobicContact CG2-CD1 4.06Å; T196-F198 HydrophobicContact CG2-CE1 3.87Å; T196-F198 HydrophobicContact CG2-CZ 4.23Å; T196-F198 PolarHBondContact O-N 3.12Å; F198-V222 HydrophobicContact CD2-CG1 4.46Å; F198-F255 HydrophobicContact CB-CE2 3.87Å; F198-P258 WeakPolarHBondContact O-CA 3.29Å; F198-V259 PolarHBondContact N-O 2.93Å; F198-V259 PolarHBondContact O-N 3.19Å; F198-A261 HydrophobicContact CD2-CB 4.23Å; F198-A261 HydrophobicContact CE2-CB 3.92Å; F198-I264 HydrophobicContact CB-CD1 4.2Å; F198-I264 HydrophobicContact CD1-CB 4.41Å; F198-I264 HydrophobicContact CD1-CD1 4.04Å; F198-I264 HydrophobicContact CD1-CG2 4.26Å; F198-I264 HydrophobicContact CD2-CB 4.38Å; F198-I264 HydrophobicContact CD2-CD1 4.46Å; F198-I264 HydrophobicContact CE1-CB 4.07Å; F198-I264 HydrophobicContact CE1-CG2 3.68Å; F198-I264 HydrophobicContact CE2-CB 4.05Å; F198-I264 HydrophobicContact CE2-CG2 4.48Å; F198-I264 HydrophobicContact CG-CD1 4Å; F198-I264 HydrophobicContact CZ-CB 3.88Å; F198-I264 HydrophobicContact CZ-CG2 3.81Å; F198-I283 HydrophobicContact CD1-CG2 3.6Å; F198-I283 HydrophobicContact CE1-CG2 3.89Å; F198-L284 WeakPolarHBondContact CA-O 3.48Å
199	T	97.1	Very high	95.6	Very high	5 Å²	5	24 Å²	24	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-17.6	-176	55.2	0	0	0	0	113.5	E127 C129 F255 P258 L284	E127-T199 VanDerWaalsContact O-CG2 3.31Å; E127-T199 WeakPolarHBondContact O-CG2 3.46Å; C129-T199 HydrophobicContact CB-CG2 3.91Å; C129-T199 WeakPolarHBondContact CB-OG1 3.09Å; C129-T199 PolarHBondContact N-OG1 2.91Å; C129-T199 WeakPolarHBondContact SG-CG2 3.22Å; T199-F255 PolarHBondContact O-N 3.24Å; T199-P258 HydrophobicContact CG2-CB 4.11Å; T199-L284 PolarHBondContact N-O 3.43Å; T199-L284 WeakPolarHBondContact OG1-CB 3.42Å; T199-L284 PolarHBondContact OG1-O 3.29Å
200	G	96.9	Very high	95.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	177.4	-178.3	0	0	0	0	0	114.1	N253 L284	G200-N253 CarbonylContact C-O 3.57Å; G200-N253 WeakPolarHBondContact CA-O 3.21Å; G200-L284 PolarHBondContact O-N 3.36Å
201	V	98.1	Very high	94.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.2	174.8	178.5	0	0	0	0	108.6	T203 V220 N253 F255 I264 V266 E282 I283	V201-T203 HydrophobicContact CG1-CG2 3.76Å; V201-V220 HydrophobicContact CG2-CG2 4.28Å; V201-N253 PolarHBondContact N-O 2.91Å; V201-N253 PolarHBondContact O-N 3.3Å; V201-F255 HydrophobicContact CG2-CE1 4.04Å; V201-F255 HydrophobicContact CG2-CZ 3.87Å; V201-I264 HydrophobicContact CG2-CD1 4.3Å; V201-V266 HydrophobicContact CG1-CG2 4.01Å; V201-V266 HydrophobicContact CG2-CG2 4.28Å; V201-E282 WeakPolarHBondContact CA-O 3.49Å; V201-I283 HydrophobicContact CG1-CD1 4.21Å; V201-I283 HydrophobicContact CG2-CD1 3.91Å
202	V	98.3	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.6	166.7	-169.6	0	0	0	0	107.8	L161 P250 V251 R252 A281 E282 L284 E429 L430	L161-V202 HydrophobicContact CD1-CG1 4.2Å; L161-V202 HydrophobicContact CD2-CB 4.4Å; L161-V202 HydrophobicContact CD2-CG1 4.12Å; V202-P250 HydrophobicContact CG1-CB 3.75Å; V202-V251 WeakPolarHBondContact CA-O 3.49Å; V202-R252 HydrophobicContact CG1-CB 4.45Å; V202-R252 HydrophobicContact CG2-CB 3.98Å; V202-R252 HydrophobicContact CG2-CG 4.23Å; V202-A281 CarbonylContact O-C 3.56Å; V202-A281 WeakPolarHBondContact O-CA 3.33Å; V202-E282 HydrophobicContact CB-CB 4.31Å; V202-E282 PolarHBondContact N-O 3.09Å; V202-E282 PolarHBondContact O-N 3.17Å; V202-L284 HydrophobicContact CG2-CD2 4.44Å; V202-E429 HydrophobicContact CG1-CB 4.5Å; V202-E429 HydrophobicContact CG2-CB 3.97Å; V202-E429 HydrophobicContact CG2-CG 4.38Å; V202-L430 HydrophobicContact CG1-CD2 4.28Å
203	T	98.4	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	151.7	176.3	63.3	0	0	0	0	112.1	V201 Y218 N244 P250 V251 M279 R280	V201-T203 HydrophobicContact CG1-CG2 3.76Å; T203-Y218 HydrophobicContact CG2-CD1 4.05Å; T203-Y218 HydrophobicContact CG2-CE1 3.4Å; T203-N244 WeakPolarHBondContact CB-OD1 3.43Å; T203-N244 PolarHBondContact O-ND2 3.21Å; T203-N244 PolarHBondContact O-OD1 3.46Å; T203-N244 PolarHBondContact OG1-OD1 3.49Å; T203-P250 CarbonylContact O-C 3.58Å; T203-P250 WeakPolarHBondContact O-CA 3.29Å; T203-V251 PolarHBondContact N-O 3.27Å; T203-V251 PolarHBondContact O-N 2.86Å; T203-M279 HydrophobicContact CG2-CE 3.72Å; T203-R280 WeakPolarHBondContact CA-O 2.9Å
204	Q	97.9	Very high	95	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	154	179.1	-172.7	-174.9	43	0	0	109	L161 N162 N244 K247 E248 M279 R280	L161-Q204 HydrophobicContact CD1-CB 3.7Å; L161-Q204 HydrophobicContact CD1-CG 4.45Å; N162-Q204 PolarHBondContact OD1-NE2 3.21Å; Q204-N244 WeakPolarHBondContact CA-ND2 3.39Å; Q204-N244 PolarHBondContact N-OD1 3.08Å; Q204-K247 WeakPolarHBondContact CG-O 3.23Å; Q204-E248 PolarHBondContact NE2-O 3.1Å; Q204-M279 WeakPolarHBondContact O-CA 3.38Å; Q204-R280 HydrophobicContact CB-CB 3.98Å; Q204-R280 VanDerWaalsContact CD-CZ 3.41Å; Q204-R280 PolarHBondContact N-O 3.3Å; Q204-R280 PolarHBondContact O-N 2.84Å; Q204-R280 VanDerWaalsContact OE1-NE 3.12Å
205	G	97.2	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.			trans	-79.2	-176.8	176.5	0	0	0	0	0	112.8	K247 R280	G205-K247 CarbonylContact C-O 3.59Å; G205-K247 WeakPolarHBondContact CA-O 3.18Å; G205-K247 PolarHBondContact N-O 3.08Å; G205-R280 PolarHBondContact O-NE 3.2Å; G205-R280 PolarHBondContact O-NH2 3.34Å; G205-R280 VanDerWaalsContact O-NH2 3.11Å
206	R	95.9	Very high	95.6	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.015	13%	0.125	C	C	.	.			trans	-75.5	124.8	-178.6	174	170.7	168.8	-127.8	-4.9	112.7	E169 D174 A176 S208 S211 D213 K247 C278	E169-R206 IonicContact OE1-CZ 3.96Å; E169-R206 IonicContact OE1-NH1 2.69Å; E169-R206 IonicContact OE1-NH2 3.13Å; E169-R206 PolarHBondContact OE1-NH2 2.78Å; E169-R206 IonicContact OE2-NH2 2.76Å; D174-R206 IonicContact OD1-CZ 2.71Å; D174-R206 IonicContact OD1-NE 3.99Å; D174-R206 IonicContact OD1-NH2 3.55Å; D174-R206 PolarHBondContact OD1-NH2 3.21Å; A176-R206 HydrophobicContact CB-CB 3.61Å; A176-R206 HydrophobicContact CB-CG 3.76Å; R206-S208 PolarHBondContact O-N 3.25Å; R206-S211 PolarHBondContact NH1-OG 3.25Å; R206-D213 HydrophobicContact CB-CB 4.17Å; R206-D213 WeakPolarHBondContact CD-OD2 3.12Å; R206-D213 IonicContact CZ-OD2 2.65Å; R206-D213 PolarHBondContact N-O 2.73Å; R206-D213 IonicContact NH1-OD2 3.95Å; R206-D213 PolarHBondContact NH1-OD2 2.94Å; R206-K247 WeakPolarHBondContact O-CD 3.43Å; R206-C278 HydrophobicContact CB-CB 4.13Å
207	S	95.1	Very high	95.8	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.063	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-67.7	123.1	161.4	168.8	0	0	0	0	108.7	Q164 A165 G175	Q164-S207 PolarHBondContact OE1-OG 2.78Å; Q164-S207 VanDerWaalsContact OE1-OG 3.09Å; A165-S207 WeakPolarHBondContact CB-O 3.21Å; A165-S207 PolarHBondContact N-OG 3.09Å; G175-S207 WeakPolarHBondContact CA-O 3.05Å; G175-S207 PolarHBondContact N-O 2.8Å; G175-S207 PolarHBondContact O-N 3.24Å
208	S	92.4	Very high	95.9	Very high	8 Å²	8	24 Å²	24	6%	0.056	12%	0.123	C	C	.	.			trans	-168.5	143.4	170.8	166.5	0	0	0	0	107.4	E169 R206 W210 S211 K247	E169-S208 PolarHBondContact OE1-OG 3.24Å; R206-S208 PolarHBondContact O-N 3.25Å; S208-W210 VanDerWaalsContact C-N 3.28Å; S208-W210 PolarHBondContact OG-N 3.01Å; S208-S211 PolarHBondContact OG-N 3.33Å; S208-K247 PolarHBondContact O-NZ 2.93Å
209	L	88.6	Confident	95.9	Very high	120 Å²	120	25.3 Å²	25.3	63%	0.628	13%	0.129	S	C	*	.	S	Bend	trans	-74.5	-21	172.1	-65.3	173.3	0	0	0	112.6	L167	L167-L209 HydrophobicContact CD2-CD1 4.07Å
210	W	88.4	Confident	96	Very high	177 Å²	177	25.1 Å²	25.1	67%	0.67	13%	0.128	S	C	*	.	S	Bend	trans	-113.7	-31.9	-164.1	-48.5	101.7	0	0	0	112.9	L167 E169 S208	L167-W210 PolarHBondContact O-NE1 2.87Å; E169-W210 HydrophobicContact CG-CB 3.86Å; E169-W210 HydrophobicContact CG-CG 3.97Å; S208-W210 VanDerWaalsContact C-N 3.28Å; S208-W210 PolarHBondContact OG-N 3.01Å
211	S	90.3	Very high	96	Very high	26 Å²	26	27 Å²	27	18%	0.182	14%	0.137	C	C	.	.			trans	-103.1	169.2	-179.9	-71.6	0	0	0	0	113.5	E169 R206 S208 D213 K247	E169-S211 VanDerWaalsContact CD-OG 3.3Å; E169-S211 WeakPolarHBondContact OE1-CB 3.23Å; E169-S211 PolarHBondContact OE1-OG 3.48Å; E169-S211 PolarHBondContact OE2-OG 3.4Å; E169-S211 VanDerWaalsContact OE2-OG 3.09Å; R206-S211 PolarHBondContact NH1-OG 3.25Å; S208-S211 PolarHBondContact OG-N 3.33Å; S211-D213 WeakPolarHBondContact CB-OD2 3.43Å; S211-K247 PolarHBondContact O-NZ 2.97Å
212	S	94.1	Very high	96	Very high	56 Å²	56	27.5 Å²	27.5	39%	0.392	14%	0.14	S	C	.	.			trans	-147.2	80.5	-179.1	-75.1	0	0	0	0	109.8	F272	S212-F272 VanDerWaalsContact O-CD1 3.27Å; S212-F272 WeakPolarHBondContact O-CD1 3.47Å
213	D	96.3	Very high	96	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.053	14%	0.142	C	C	.	.			trans	-120.4	130.4	-176.5	-51.3	-73.6	0	0	0	110.8	R206 S211 G275 S276 C278	R206-D213 HydrophobicContact CB-CB 4.17Å; R206-D213 WeakPolarHBondContact CD-OD2 3.12Å; R206-D213 IonicContact CZ-OD2 2.65Å; R206-D213 PolarHBondContact N-O 2.73Å; R206-D213 IonicContact NH1-OD2 3.95Å; R206-D213 PolarHBondContact NH1-OD2 2.94Å; S211-D213 WeakPolarHBondContact CB-OD2 3.43Å; D213-G275 WeakPolarHBondContact OD1-CA 3.21Å; D213-S276 PolarHBondContact OD1-N 3.44Å; D213-C278 HydrophobicContact CB-CB 3.52Å; D213-C278 WeakPolarHBondContact CB-SG 3.46Å
214	W	98	Very high	95.9	Very high	25 Å²	25	32.6 Å²	32.6	10%	0.095	17%	0.168	C	C	.	.			trans	-158	151.2	170.7	62.1	91.7	0	0	0	113.1	N244 R245 K247 W271 F272 C278	W214-N244 HydrophobicContact CB-CB 4.29Å; W214-N244 VanDerWaalsContact CD1-O 3.24Å; W214-N244 HydrophobicContact CG-CB 4.35Å; W214-N244 PolarHBondContact NE1-O 3.46Å; W214-R245 WeakPolarHBondContact CZ2-O 3.3Å; W214-K247 HydrophobicContact CE3-CB 4.07Å; W214-W271 CarbonylContact O-C 3.49Å; W214-W271 VanDerWaalsContact O-CA 3.27Å; W214-W271 WeakPolarHBondContact O-CA 3.32Å; W214-W271 WeakPolarHBondContact O-CB 3.1Å; W214-F272 HydrophobicContact CD2-CB 3.9Å; W214-F272 HydrophobicContact CD2-CG 4.37Å; W214-F272 AromaticContact CE2-CG 3.96Å; W214-F272 HydrophobicContact CE3-CB 4.33Å; W214-F272 HydrophobicContact CE3-CG 4.48Å; W214-F272 HydrophobicContact CG-CB 4.33Å; W214-F272 HydrophobicContact CH2-CB 4.37Å; W214-F272 HydrophobicContact CH2-CD1 4.11Å; W214-F272 AromaticContact CH2-CD2 3.73Å; W214-F272 HydrophobicContact CH2-CD2 3.73Å; W214-F272 HydrophobicContact CH2-CE1 4.34Å; W214-F272 AromaticContact CH2-CE2 3.98Å; W214-F272 HydrophobicContact CH2-CE2 3.98Å; W214-F272 AromaticContact CH2-CG 3.8Å; W214-F272 HydrophobicContact CH2-CG 3.8Å; W214-F272 HydrophobicContact CH2-CZ 4.29Å; W214-F272 HydrophobicContact CZ2-CB 3.95Å; W214-F272 HydrophobicContact CZ2-CD1 4.43Å; W214-F272 AromaticContact CZ2-CD2 3.39Å; W214-F272 HydrophobicContact CZ2-CD2 3.39Å; W214-F272 AromaticContact CZ2-CE2 3.97Å; W214-F272 HydrophobicContact CZ2-CE2 3.97Å; W214-F272 AromaticContact CZ2-CG 3.67Å; W214-F272 HydrophobicContact CZ2-CG 3.67Å; W214-F272 HydrophobicContact CZ3-CD1 4.27Å; W214-F272 HydrophobicContact CZ3-CG 4.22Å; W214-F272 PolarHBondContact O-N 2.81Å; W214-C278 CarbonylContact C-O 3.27Å; W214-C278 WeakPolarHBondContact CA-O 3.33Å
215	V	98.4	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	133.4	168.7	173.2	0	0	0	0	109.9	S217 Y218 A243 N244 P268 V277 C278 M279	V215-S217 VanDerWaalsContact CG1-O 3.3Å; V215-S217 WeakPolarHBondContact CG1-O 3.42Å; V215-Y218 HydrophobicContact CG1-CD1 4.41Å; V215-A243 HydrophobicContact CG1-CB 4.24Å; V215-A243 WeakPolarHBondContact O-CB 2.97Å; V215-N244 PolarHBondContact O-N 2.87Å; V215-N244 VanDerWaalsContact O-N 3.11Å; V215-P268 HydrophobicContact CG1-CB 3.98Å; V215-P268 HydrophobicContact CG1-CG 4.26Å; V215-P268 HydrophobicContact CG2-CB 3.83Å; V215-P268 HydrophobicContact CG2-CG 3.68Å; V215-V277 HydrophobicContact CG2-CG1 4.44Å; V215-C278 PolarHBondContact N-O 3.09Å; V215-M279 HydrophobicContact CB-CB 4.39Å; V215-M279 HydrophobicContact CB-SD 4.47Å; V215-M279 HydrophobicContact CG2-CB 3.98Å; V215-M279 HydrophobicContact CG2-CG 4.04Å; V215-M279 HydrophobicContact CG2-SD 3.97Å
216	T	98.3	Very high	95.6	Very high	42 Å²	42	37.1 Å²	37.1	26%	0.258	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-22.4	-178.9	54.7	0	0	0	0	113	A243 S270 W271	T216-A243 PolarHBondContact O-N 3.37Å; T216-S270 PolarHBondContact N-O 3.26Å; T216-S270 WeakPolarHBondContact OG1-CB 3.48Å; T216-S270 PolarHBondContact OG1-O 2.73Å; T216-S270 PolarHBondContact OG1-OG 2.72Å; T216-W271 WeakPolarHBondContact OG1-CA 3.33Å; T216-W271 PolarHBondContact OG1-N 2.84Å; T216-W271 PolarHBondContact OG1-O 3.48Å
217	S	98.4	Very high	95.4	Very high	19 Å²	19	44.4 Å²	44.4	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	151.8	164.6	68.8	0	0	0	0	111.8	V215 F241 R269 S270	V215-S217 VanDerWaalsContact CG1-O 3.3Å; V215-S217 WeakPolarHBondContact CG1-O 3.42Å; S217-F241 VanDerWaalsContact CA-O 3.25Å; S217-F241 WeakPolarHBondContact CA-O 3.16Å; S217-F241 VanDerWaalsContact CB-O 3.28Å; S217-F241 WeakPolarHBondContact CB-O 3.47Å; S217-R269 PolarHBondContact O-N 3.44Å; S217-S270 WeakPolarHBondContact CB-OG 3.39Å; S217-S270 PolarHBondContact N-O 2.71Å; S217-S270 VanDerWaalsContact N-O 3.14Å; S217-S270 PolarHBondContact N-OG 3.19Å; S217-S270 PolarHBondContact O-N 3.43Å; S217-S270 PolarHBondContact OG-N 2.87Å; S217-S270 PolarHBondContact OG-OG 2.99Å
218	Y	98.6	Very high	95.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	167.2	176.8	61.2	-99.2	0	0	0	111.7	T203 V215 V220 I240 F241 A243 N253 V266 N267	T203-Y218 HydrophobicContact CG2-CD1 4.05Å; T203-Y218 HydrophobicContact CG2-CE1 3.4Å; V215-Y218 HydrophobicContact CG1-CD1 4.41Å; Y218-V220 HydrophobicContact CD2-CG2 3.93Å; Y218-V220 HydrophobicContact CE2-CG2 3.69Å; Y218-I240 CarbonylContact O-C 3.54Å; Y218-I240 WeakPolarHBondContact O-CA 3.5Å; Y218-F241 HydrophobicContact CD2-CB 4Å; Y218-F241 AromaticContact CD2-CD2 3.92Å; Y218-F241 HydrophobicContact CD2-CD2 3.92Å; Y218-F241 HydrophobicContact CD2-CG 4.35Å; Y218-F241 HydrophobicContact CE1-CB 4.22Å; Y218-F241 HydrophobicContact CE2-CB 3.59Å; Y218-F241 AromaticContact CE2-CD2 3.57Å; Y218-F241 HydrophobicContact CE2-CD2 3.57Å; Y218-F241 HydrophobicContact CE2-CE2 4.46Å; Y218-F241 AromaticContact CE2-CG 3.76Å; Y218-F241 HydrophobicContact CE2-CG 3.76Å; Y218-F241 HydrophobicContact CG-CB 4.48Å; Y218-F241 PolarHBondContact N-O 2.88Å; Y218-F241 VanDerWaalsContact N-O 3.16Å; Y218-F241 PolarHBondContact O-N 3.17Å; Y218-A243 HydrophobicContact CD1-CB 3.71Å; Y218-A243 HydrophobicContact CE1-CB 3.8Å; Y218-N253 WeakPolarHBondContact OH-CB 3.49Å; Y218-N253 PolarHBondContact OH-ND2 2.85Å; Y218-V266 HydrophobicContact CD1-CG1 4.08Å; Y218-V266 HydrophobicContact CD2-CG1 3.57Å; Y218-V266 HydrophobicContact CE2-CG1 4.17Å; Y218-V266 HydrophobicContact CG-CG1 3.52Å; Y218-N267 CarbonylContact C-O 3.46Å; Y218-N267 VanDerWaalsContact CA-O 3.3Å; Y218-N267 WeakPolarHBondContact CA-O 3.19Å; Y218-N267 WeakPolarHBondContact CB-O 3.47Å
219	K	97.8	Very high	95.7	Very high	28 Å²	28	50.5 Å²	50.5	12%	0.122	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	154.9	161.8	74.9	-175.9	-158.6	170.4	0	109.6	M221 T231 D238 L239 N267 R269	K219-M221 VanDerWaalsContact CE-SD 3.59Å; K219-T231 HydrophobicContact CB-CG2 4.21Å; K219-T231 HydrophobicContact CD-CG2 3.63Å; K219-T231 HydrophobicContact CG-CG2 3.98Å; K219-D238 HydrophobicContact CD-CB 4.5Å; K219-D238 IonicContact NZ-OD2 3.99Å; K219-D238 PolarHBondContact NZ-OD2 2.04Å; K219-L239 VanDerWaalsContact CB-O 3.28Å; K219-L239 WeakPolarHBondContact CB-O 3.45Å; K219-N267 VanDerWaalsContact CE-OD1 3.28Å; K219-N267 WeakPolarHBondContact CE-OD1 3.5Å; K219-N267 HydrophobicContact CG-CB 3.99Å; K219-N267 WeakPolarHBondContact CG-OD1 3.42Å; K219-N267 PolarHBondContact N-O 3.32Å; K219-N267 PolarHBondContact O-N 3.25Å; K219-R269 HydrophobicContact CB-CG 4.39Å; K219-R269 HydrophobicContact CG-CG 4.48Å
220	V	98.3	Very high	96.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.2	177.6	-177.6	0	0	0	0	110	V201 Y218 T231 L232 F241 F255 I264 R265	V201-V220 HydrophobicContact CG2-CG2 4.28Å; Y218-V220 HydrophobicContact CD2-CG2 3.93Å; Y218-V220 HydrophobicContact CE2-CG2 3.69Å; V220-T231 WeakPolarHBondContact O-CA 3.47Å; V220-T231 WeakPolarHBondContact O-CG2 3.4Å; V220-L232 HydrophobicContact CB-CD1 4.13Å; V220-L232 HydrophobicContact CB-CD2 4.46Å; V220-L232 HydrophobicContact CG1-CD1 3.94Å; V220-L232 PolarHBondContact O-N 3.24Å; V220-F241 HydrophobicContact CB-CE2 4.24Å; V220-F241 HydrophobicContact CG2-CD2 4.02Å; V220-F241 HydrophobicContact CG2-CE2 3.73Å; V220-F255 HydrophobicContact CB-CE1 4.48Å; V220-F255 HydrophobicContact CB-CZ 4.36Å; V220-F255 HydrophobicContact CG1-CE1 4.49Å; V220-F255 HydrophobicContact CG1-CZ 3.89Å; V220-F255 HydrophobicContact CG2-CE1 3.93Å; V220-F255 HydrophobicContact CG2-CZ 4.1Å; V220-I264 HydrophobicContact CG1-CD1 3.75Å; V220-I264 HydrophobicContact CG1-CG1 3.7Å; V220-R265 WeakPolarHBondContact CA-O 3.45Å
221	M	98.1	Very high	96.5	Very high	39 Å²	39	42.1 Å²	42.1	19%	0.192	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.4	176.3	-57.7	174.7	69.2	0	0	109	K219 W229 T230 T231 R265 N267	K219-M221 VanDerWaalsContact CE-SD 3.59Å; M221-W229 HydrophobicContact CB-CE3 3.98Å; M221-W229 HydrophobicContact CE-CB 3.93Å; M221-T230 CarbonylContact C-O 3.43Å; M221-T230 WeakPolarHBondContact CA-O 3.49Å; M221-T231 HydrophobicContact CG-CG2 4.01Å; M221-R265 HydrophobicContact CB-CB 4.2Å; M221-R265 PolarHBondContact N-O 2.66Å; M221-R265 PolarHBondContact O-N 3.28Å; M221-N267 HydrophobicContact SD-CB 4.35Å
222	V	98.1	Very high	96.7	Very high	12 Å²	12	41.6 Å²	41.6	7%	0.073	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155.9	-179.2	-66.5	0	0	0	0	112.3	F198 W229 T230 L232 V259 A261 Y263 I264	F198-V222 HydrophobicContact CD2-CG1 4.46Å; V222-W229 VanDerWaalsContact C-CE3 3.49Å; V222-W229 WeakPolarHBondContact O-CA 3.47Å; V222-T230 PolarHBondContact N-O 3.12Å; V222-T230 PolarHBondContact O-N 3.43Å; V222-L232 HydrophobicContact CG1-CD1 4Å; V222-L232 HydrophobicContact CG2-CD1 4.37Å; V222-V259 HydrophobicContact CG1-CG1 4.36Å; V222-V259 HydrophobicContact CG2-CG1 3.84Å; V222-A261 HydrophobicContact CB-CB 3.7Å; V222-A261 HydrophobicContact CG1-CB 4.23Å; V222-A261 HydrophobicContact CG2-CB 4.29Å; V222-Y263 WeakPolarHBondContact CA-O 3.3Å; V222-I264 HydrophobicContact CG1-CG1 4.35Å
223	S	98	Very high	96.7	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.4	179.6	177.4	0	0	0	0	112.5	D225 S226 T228 R262 Y263	S223-D225 PolarHBondContact OG-N 2.72Å; S223-D225 VanDerWaalsContact OG-N 3.12Å; S223-D225 PolarHBondContact OG-OD1 2.74Å; S223-S226 WeakPolarHBondContact OG-CA 3.23Å; S223-S226 PolarHBondContact OG-N 2.88Å; S223-T228 WeakPolarHBondContact CB-O 3.3Å; S223-T228 PolarHBondContact OG-O 3.39Å; S223-R262 PolarHBondContact O-N 2.79Å; S223-R262 VanDerWaalsContact O-N 3.13Å; S223-Y263 PolarHBondContact N-O 3Å; S223-Y263 PolarHBondContact O-N 2.72Å
224	N	96.7	Very high	96.2	Very high	100 Å²	100	48.7 Å²	48.7	54%	0.535	26%	0.257	S	S	.	.	S	Bend	trans	-105.4	-11.7	170.5	-73	-30.1	0	0	0	113.4	L195 A261 R262	L195-N224 WeakPolarHBondContact CD2-OD1 3.22Å; N224-A261 VanDerWaalsContact OD1-CA 3.26Å; N224-A261 WeakPolarHBondContact OD1-CA 3.37Å; N224-R262 PolarHBondContact OD1-N 3.01Å
225	D	94.1	Very high	95.4	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	29%	0.292	S	S	.	.	S	Bend	trans	-130.7	-1.1	-169.8	63.6	5.6	0	0	0	113.5	S223 H227 T228	S223-D225 PolarHBondContact OG-N 2.72Å; S223-D225 VanDerWaalsContact OG-N 3.12Å; S223-D225 PolarHBondContact OG-OD1 2.74Å; D225-H227 PolarHBondContact O-CD2 3.31Å; D225-H227 PolarHBondContact O-N 2.86Å; D225-H227 VanDerWaalsContact O-N 3.16Å; D225-H227 PolarHBondContact OD1-N 2.84Å; D225-T228 VanDerWaalsContact CG-OG1 3.3Å; D225-T228 PolarHBondContact OD1-N 2.95Å; D225-T228 PolarHBondContact OD1-OG1 2.89Å; D225-T228 PolarHBondContact OD2-OG1 3.32Å
226	S	92.8	Very high	94.7	Very high	34 Å²	34	59.8 Å²	59.8	24%	0.238	33%	0.326	C	S	.	.	S	Bend	trans	61.6	0.7	-169.3	76.6	0	0	0	0	116.1	S223 W229	S223-S226 WeakPolarHBondContact OG-CA 3.23Å; S223-S226 PolarHBondContact OG-N 2.88Å; S226-W229 VanDerWaalsContact C-NE1 3.31Å; S226-W229 PolarHBondContact O-NE1 2.87Å
227	H	93.1	Very high	94.4	Very high	158 Å²	158	60.8 Å²	60.8	73%	0.731	34%	0.338	S	S	*	.	S	Bend	trans	-109.7	-46.4	-176.3	-63	-45.8	0	0	0	113	D225	D225-H227 PolarHBondContact O-CD2 3.31Å; D225-H227 PolarHBondContact O-N 2.86Å; D225-H227 VanDerWaalsContact O-N 3.16Å; D225-H227 PolarHBondContact OD1-N 2.84Å
228	T	96.1	Very high	94.1	Very high	96 Å²	96	62.8 Å²	62.8	59%	0.589	35%	0.347	S	S	*	.	S	Bend	trans	-98	124.6	177.3	62.6	0	0	0	0	109.8	S223 D225	S223-T228 WeakPolarHBondContact CB-O 3.3Å; S223-T228 PolarHBondContact OG-O 3.39Å; D225-T228 VanDerWaalsContact CG-OG1 3.3Å; D225-T228 PolarHBondContact OD1-N 2.95Å; D225-T228 PolarHBondContact OD1-OG1 2.89Å; D225-T228 PolarHBondContact OD2-OG1 3.32Å
229	W	97.3	Very high	94	Very high	48 Å²	48	64.1 Å²	64.1	18%	0.182	35%	0.354	C	S	.	.			trans	-125.1	130.3	-170.4	-70.9	85.6	0	0	0	112.1	E189 M221 V222 S226 R265	E189-W229 HydrophobicContact CG-CH2 4.15Å; E189-W229 WeakPolarHBondContact OE2-CZ2 3.46Å; M221-W229 HydrophobicContact CB-CE3 3.98Å; M221-W229 HydrophobicContact CE-CB 3.93Å; V222-W229 VanDerWaalsContact C-CE3 3.49Å; V222-W229 WeakPolarHBondContact O-CA 3.47Å; S226-W229 VanDerWaalsContact C-NE1 3.31Å; S226-W229 PolarHBondContact O-NE1 2.87Å; W229-R265 HydrophobicContact CE3-CB 4.2Å; W229-R265 HydrophobicContact CE3-CG 4.21Å; W229-R265 HydrophobicContact CH2-CB 4.19Å; W229-R265 HydrophobicContact CH2-CG 3.54Å; W229-R265 HydrophobicContact CZ2-CG 4.2Å; W229-R265 VanDerWaalsContact CZ2-NE 3.32Å; W229-R265 HydrophobicContact CZ3-CB 3.69Å; W229-R265 HydrophobicContact CZ3-CG 3.57Å
230	T	96.3	Very high	94	Very high	99 Å²	99	67.5 Å²	67.5	61%	0.607	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.3	177.3	-58.2	0	0	0	0	109.3	M221 V222	M221-T230 CarbonylContact C-O 3.43Å; M221-T230 WeakPolarHBondContact CA-O 3.49Å; V222-T230 PolarHBondContact N-O 3.12Å; V222-T230 PolarHBondContact O-N 3.43Å
231	T	96.8	Very high	93.9	Very high	22 Å²	22	68.1 Å²	68.1	14%	0.135	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	141.7	169.2	-34.6	0	0	0	0	110.1	K219 V220 M221 D238	K219-T231 HydrophobicContact CB-CG2 4.21Å; K219-T231 HydrophobicContact CD-CG2 3.63Å; K219-T231 HydrophobicContact CG-CG2 3.98Å; V220-T231 WeakPolarHBondContact O-CA 3.47Å; V220-T231 WeakPolarHBondContact O-CG2 3.4Å; M221-T231 HydrophobicContact CG-CG2 4.01Å; T231-D238 HydrophobicContact CG2-CB 4.13Å; T231-D238 WeakPolarHBondContact CG2-OD2 3.2Å; T231-D238 PolarHBondContact OG1-OD2 2.87Å
232	L	95.4	Very high	93.9	Very high	15 Å²	15	70.6 Å²	70.6	8%	0.079	40%	0.396	C	S	.	.			trans	-62	144.5	161.3	-84.6	70.3	0	0	0	110	V220 V222 L239 F255 V259	V220-L232 HydrophobicContact CB-CD1 4.13Å; V220-L232 HydrophobicContact CB-CD2 4.46Å; V220-L232 HydrophobicContact CG1-CD1 3.94Å; V220-L232 PolarHBondContact O-N 3.24Å; V222-L232 HydrophobicContact CG1-CD1 4Å; V222-L232 HydrophobicContact CG2-CD1 4.37Å; L232-L239 HydrophobicContact CB-CB 4.47Å; L232-L239 PolarHBondContact O-N 2.85Å; L232-F255 HydrophobicContact CD2-CB 4.16Å; L232-F255 HydrophobicContact CD2-CD1 3.97Å; L232-F255 HydrophobicContact CD2-CD2 3.65Å; L232-F255 HydrophobicContact CD2-CE1 4.28Å; L232-F255 HydrophobicContact CD2-CE2 3.97Å; L232-F255 HydrophobicContact CD2-CG 3.66Å; L232-F255 HydrophobicContact CD2-CZ 4.28Å; L232-V259 HydrophobicContact CD1-CG2 4.29Å; L232-V259 HydrophobicContact CD2-CG2 4.06Å; L232-V259 HydrophobicContact CG-CG2 4.06Å
233	K	92.8	Very high	93.9	Very high	119 Å²	119	70.3 Å²	70.3	52%	0.517	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.9	-174.9	-69.6	-166.4	167.5	-156.4	0	112.3	S236 A237 D238	K233-S236 PolarHBondContact NZ-O 3.28Å; K233-A237 CarbonylContact C-O 3.54Å; K233-A237 WeakPolarHBondContact CA-O 3.48Å; K233-A237 VanDerWaalsContact CB-O 3.23Å; K233-A237 WeakPolarHBondContact CB-O 3.27Å; K233-A237 WeakPolarHBondContact CG-O 3.46Å; K233-D238 WeakPolarHBondContact CE-OD1 3.48Å
234	N	85.9	Confident	93.9	Very high	97 Å²	97	70.1 Å²	70.1	52%	0.519	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.7	160.1	-164	28.1	0	0	0	107.6	S236 A237 L239	N234-S236 PolarHBondContact O-N 3.21Å; N234-A237 PolarHBondContact N-O 2.8Å; N234-A237 PolarHBondContact O-N 3.12Å; N234-L239 HydrophobicContact CB-CD1 4.37Å
235	D	82.9	Confident	93.9	Very high	155 Å²	155	76.3 Å²	76.3	83%	0.829	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.4	-93	-165.9	-57.8	-48.6	0	0	0	113.5
236	S	83.8	Confident	93.9	Very high	103 Å²	103	76.6 Å²	76.6	72%	0.72	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-18.4	-178.7	-63.6	0	0	0	0	114.4	K233 N234	K233-S236 PolarHBondContact NZ-O 3.28Å; N234-S236 PolarHBondContact O-N 3.21Å
237	A	91.2	Very high	93.9	Very high	62 Å²	62	76.7 Å²	76.7	51%	0.512	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.7	-173.5	0	0	0	0	0	111.9	K233 N234 L239	K233-A237 CarbonylContact C-O 3.54Å; K233-A237 WeakPolarHBondContact CA-O 3.48Å; K233-A237 VanDerWaalsContact CB-O 3.23Å; K233-A237 WeakPolarHBondContact CB-O 3.27Å; K233-A237 WeakPolarHBondContact CG-O 3.46Å; N234-A237 PolarHBondContact N-O 2.8Å; N234-A237 PolarHBondContact O-N 3.12Å; A237-L239 PolarHBondContact O-N 3.41Å
238	D	92.9	Very high	93.8	Very high	62 Å²	62	72.1 Å²	72.1	33%	0.332	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	127.6	171.9	-82.4	20.5	0	0	0	110.1	K219 T231 K233 I240	K219-D238 HydrophobicContact CD-CB 4.5Å; K219-D238 IonicContact NZ-OD2 3.99Å; K219-D238 PolarHBondContact NZ-OD2 2.04Å; T231-D238 HydrophobicContact CG2-CB 4.13Å; T231-D238 WeakPolarHBondContact CG2-OD2 3.2Å; T231-D238 PolarHBondContact OG1-OD2 2.87Å; K233-D238 WeakPolarHBondContact CE-OD1 3.48Å; D238-I240 PolarHBondContact O-N 2.98Å
239	L	95.6	Very high	93.7	Very high	28 Å²	28	72.9 Å²	72.9	15%	0.147	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-77.3	120.6	-179.4	177.3	56.8	0	0	0	110.1	K219 L232 N234 A237 F241 P256	K219-L239 VanDerWaalsContact CB-O 3.28Å; K219-L239 WeakPolarHBondContact CB-O 3.45Å; L232-L239 HydrophobicContact CB-CB 4.47Å; L232-L239 PolarHBondContact O-N 2.85Å; N234-L239 HydrophobicContact CB-CD1 4.37Å; A237-L239 PolarHBondContact O-N 3.41Å; L239-F241 HydrophobicContact CD2-CE1 3.92Å; L239-F241 HydrophobicContact CD2-CE2 3.92Å; L239-F241 HydrophobicContact CD2-CZ 3.38Å; L239-F241 HydrophobicContact CG-CD2 4.43Å; L239-F241 HydrophobicContact CG-CE1 4.23Å; L239-F241 HydrophobicContact CG-CE2 3.86Å; L239-F241 HydrophobicContact CG-CZ 3.76Å; L239-P256 HydrophobicContact CD2-CG 3.97Å
240	I	96.9	Very high	93.7	Very high	98 Å²	98	71.1 Å²	71.1	50%	0.503	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.8	177.4	-57.6	176.5	0	0	0	108.8	Y218 D238	Y218-I240 CarbonylContact O-C 3.54Å; Y218-I240 WeakPolarHBondContact O-CA 3.5Å; D238-I240 PolarHBondContact O-N 2.98Å
241	F	97.8	Very high	93.7	Very high	13 Å²	13	68.4 Å²	68.4	6%	0.057	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.6	176.9	-63.2	-84.2	0	0	0	110.5	S217 Y218 V220 L239 N253 F255	S217-F241 VanDerWaalsContact CA-O 3.25Å; S217-F241 WeakPolarHBondContact CA-O 3.16Å; S217-F241 VanDerWaalsContact CB-O 3.28Å; S217-F241 WeakPolarHBondContact CB-O 3.47Å; Y218-F241 HydrophobicContact CD2-CB 4Å; Y218-F241 AromaticContact CD2-CD2 3.92Å; Y218-F241 HydrophobicContact CD2-CD2 3.92Å; Y218-F241 HydrophobicContact CD2-CG 4.35Å; Y218-F241 HydrophobicContact CE1-CB 4.22Å; Y218-F241 HydrophobicContact CE2-CB 3.59Å; Y218-F241 AromaticContact CE2-CD2 3.57Å; Y218-F241 HydrophobicContact CE2-CD2 3.57Å; Y218-F241 HydrophobicContact CE2-CE2 4.46Å; Y218-F241 AromaticContact CE2-CG 3.76Å; Y218-F241 HydrophobicContact CE2-CG 3.76Å; Y218-F241 HydrophobicContact CG-CB 4.48Å; Y218-F241 PolarHBondContact N-O 2.88Å; Y218-F241 VanDerWaalsContact N-O 3.16Å; Y218-F241 PolarHBondContact O-N 3.17Å; V220-F241 HydrophobicContact CB-CE2 4.24Å; V220-F241 HydrophobicContact CG2-CD2 4.02Å; V220-F241 HydrophobicContact CG2-CE2 3.73Å; L239-F241 HydrophobicContact CD2-CE1 3.92Å; L239-F241 HydrophobicContact CD2-CE2 3.92Å; L239-F241 HydrophobicContact CD2-CZ 3.38Å; L239-F241 HydrophobicContact CG-CD2 4.43Å; L239-F241 HydrophobicContact CG-CE1 4.23Å; L239-F241 HydrophobicContact CG-CE2 3.86Å; L239-F241 HydrophobicContact CG-CZ 3.76Å; F241-N253 HydrophobicContact CB-CB 4.46Å; F241-N253 HydrophobicContact CD1-CB 3.73Å; F241-N253 WeakPolarHBondContact CD1-OD1 3.06Å; F241-N253 HydrophobicContact CE1-CB 4.32Å; F241-N253 HydrophobicContact CG-CB 4.33Å; F241-F255 HydrophobicContact CE1-CD1 4.05Å; F241-F255 HydrophobicContact CE2-CD1 4.35Å; F241-F255 HydrophobicContact CE2-CE1 4.35Å; F241-F255 AromaticContact CZ-CD1 3.56Å; F241-F255 HydrophobicContact CZ-CD1 3.56Å; F241-F255 AromaticContact CZ-CE1 3.98Å; F241-F255 HydrophobicContact CZ-CE1 3.98Å
242	S	98.1	Very high	93.8	Very high	91 Å²	91	71.8 Å²	71.8	64%	0.636	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.6	170.2	-64.8	0	0	0	0	109.3	N253	S242-N253 PolarHBondContact O-ND2 2.77Å; S242-N253 PolarHBondContact O-OD1 3.39Å
243	A	97.2	Very high	93.8	Very high	7 Å²	7	72.4 Å²	72.4	6%	0.058	38%	0.375	C	S	.	.			trans	-109.8	-145.4	-176.2	0	0	0	0	0	110.4	V215 T216 Y218	V215-A243 HydrophobicContact CG1-CB 4.24Å; V215-A243 WeakPolarHBondContact O-CB 2.97Å; T216-A243 PolarHBondContact O-N 3.37Å; Y218-A243 HydrophobicContact CD1-CB 3.71Å; Y218-A243 HydrophobicContact CE1-CB 3.8Å
244	N	97.8	Very high	94	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.011	36%	0.364	C	S	.	.			trans	-74	153.3	-168.7	-57.5	84.7	0	0	0	113	T203 Q204 W214 V215 E246 I249	T203-N244 WeakPolarHBondContact CB-OD1 3.43Å; T203-N244 PolarHBondContact O-ND2 3.21Å; T203-N244 PolarHBondContact O-OD1 3.46Å; T203-N244 PolarHBondContact OG1-OD1 3.49Å; Q204-N244 WeakPolarHBondContact CA-ND2 3.39Å; Q204-N244 PolarHBondContact N-OD1 3.08Å; W214-N244 HydrophobicContact CB-CB 4.29Å; W214-N244 VanDerWaalsContact CD1-O 3.24Å; W214-N244 HydrophobicContact CG-CB 4.35Å; W214-N244 PolarHBondContact NE1-O 3.46Å; V215-N244 PolarHBondContact O-N 2.87Å; V215-N244 VanDerWaalsContact O-N 3.11Å; N244-E246 WeakPolarHBondContact CB-O 3.48Å; N244-I249 PolarHBondContact ND2-O 2.82Å
245	R	96.6	Very high	94.4	Very high	230 Å²	230	65 Å²	65	87%	0.868	34%	0.34	S	S	*	.	S	Bend	trans	-110.9	-13.8	176	-62	-175.2	-178.8	-168.2	1	113.2	W214	W214-R245 WeakPolarHBondContact CZ2-O 3.3Å
246	E	94.3	Very high	94.8	Very high	69 Å²	69	61.9 Å²	61.9	32%	0.322	33%	0.329	S	S	.	.	S	Bend	trans	-153.2	-173.2	174.8	66.2	88.4	-167.7	0	0	107.3	N244 E248 I249	N244-E246 WeakPolarHBondContact CB-O 3.48Å; E246-E248 PolarHBondContact OE1-N 2.79Å; E246-E248 PolarHBondContact OE2-N 2.93Å; E246-I249 VanDerWaalsContact OE1-CB 3.24Å; E246-I249 WeakPolarHBondContact OE1-CB 3.36Å; E246-I249 WeakPolarHBondContact OE1-CG1 3.38Å; E246-I249 PolarHBondContact OE1-N 2.82Å
247	K	93.3	Very high	95.1	Very high	37 Å²	37	63.4 Å²	63.4	16%	0.161	33%	0.328	C	S	.	.	S	Bend	trans	-95.9	-25.8	-167.2	57.3	168.9	178.6	-171.7	0	117	Q204 G205 R206 S208 S211 W214 R280	Q204-K247 WeakPolarHBondContact CG-O 3.23Å; G205-K247 CarbonylContact C-O 3.59Å; G205-K247 WeakPolarHBondContact CA-O 3.18Å; G205-K247 PolarHBondContact N-O 3.08Å; R206-K247 WeakPolarHBondContact O-CD 3.43Å; S208-K247 PolarHBondContact O-NZ 2.93Å; S211-K247 PolarHBondContact O-NZ 2.97Å; W214-K247 HydrophobicContact CE3-CB 4.07Å; K247-R280 PolarHBondContact O-NH2 2.96Å
248	E	91.8	Very high	95.2	Very high	61 Å²	61	63.7 Å²	63.7	29%	0.285	33%	0.325	S	S	.	.	S	Bend	trans	-97.4	-40.1	-171.7	-52.3	-49.2	158.8	0	0	114.6	Q204 E246 P250 R280	Q204-E248 PolarHBondContact NE2-O 3.1Å; E246-E248 PolarHBondContact OE1-N 2.79Å; E246-E248 PolarHBondContact OE2-N 2.93Å; E248-P250 VanDerWaalsContact O-CD 3.29Å; E248-P250 WeakPolarHBondContact O-CD 3.46Å; E248-R280 IonicContact OE2-NH2 3.57Å; E248-R280 PolarHBondContact OE2-NH2 3.45Å
249	I	93.9	Very high	95.3	Very high	112 Å²	112	62.5 Å²	62.5	57%	0.574	32%	0.32	S	S	*	.	S	Bend	trans	-69.2	121.8	179.3	-70.7	167.3	0	0	0	110.8	N244 E246	N244-I249 PolarHBondContact ND2-O 2.82Å; E246-I249 VanDerWaalsContact OE1-CB 3.24Å; E246-I249 WeakPolarHBondContact OE1-CB 3.36Å; E246-I249 WeakPolarHBondContact OE1-CG1 3.38Å; E246-I249 PolarHBondContact OE1-N 2.82Å
250	P	96.6	Very high	95.3	Very high	12 Å²	12	64.7 Å²	64.7	8%	0.078	33%	0.334	C	S	.	.			trans	-67	152.2	171.8	-18.9	33.4	0	0	0	112.7	L161 V202 T203 E248 E429 L430	L161-P250 HydrophobicContact CD1-CB 4.18Å; L161-P250 HydrophobicContact CD1-CG 4.33Å; V202-P250 HydrophobicContact CG1-CB 3.75Å; T203-P250 CarbonylContact O-C 3.58Å; T203-P250 WeakPolarHBondContact O-CA 3.29Å; E248-P250 VanDerWaalsContact O-CD 3.29Å; E248-P250 WeakPolarHBondContact O-CD 3.46Å; P250-E429 WeakPolarHBondContact CB-O 3.48Å; P250-L430 HydrophobicContact CB-CD2 3.94Å
251	V	97.3	Very high	95.3	Very high	42 Å²	42	60.1 Å²	60.1	26%	0.255	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	104.7	177.5	177.5	0	0	0	0	109.7	V202 T203	V202-V251 WeakPolarHBondContact CA-O 3.49Å; T203-V251 PolarHBondContact N-O 3.27Å; T203-V251 PolarHBondContact O-N 2.86Å
252	R	96.8	Very high	95.2	Very high	92 Å²	92	63.4 Å²	63.4	35%	0.347	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	125.5	175.5	171.5	169.8	154	169.8	-9.3	111	E128 V202 I254 L284 E429 L430	E128-R252 IonicContact OE1-CZ 3.13Å; E128-R252 IonicContact OE1-NH2 2.77Å; E128-R252 PolarHBondContact OE1-NH2 2.83Å; E128-R252 IonicContact OE2-CZ 3.65Å; E128-R252 IonicContact OE2-NH2 2.73Å; E128-R252 PolarHBondContact OE2-NH2 3.11Å; V202-R252 HydrophobicContact CG1-CB 4.45Å; V202-R252 HydrophobicContact CG2-CB 3.98Å; V202-R252 HydrophobicContact CG2-CG 4.23Å; R252-I254 HydrophobicContact CG-CD1 4.2Å; R252-L284 HydrophobicContact CG-CD1 4.45Å; R252-E429 IonicContact NH1-OE2 2.96Å; R252-E429 PolarHBondContact NH1-OE2 3.16Å; R252-L430 HydrophobicContact CB-CD1 4.47Å; R252-L430 HydrophobicContact CB-CD2 3.84Å
253	N	96.8	Very high	95.2	Very high	28 Å²	28	60.3 Å²	60.3	15%	0.15	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.7	170	-76.8	-99.5	0	0	0	109.4	G200 V201 Y218 F241 S242	G200-N253 CarbonylContact C-O 3.57Å; G200-N253 WeakPolarHBondContact CA-O 3.21Å; V201-N253 PolarHBondContact N-O 2.91Å; V201-N253 PolarHBondContact O-N 3.3Å; Y218-N253 WeakPolarHBondContact OH-CB 3.49Å; Y218-N253 PolarHBondContact OH-ND2 2.85Å; F241-N253 HydrophobicContact CB-CB 4.46Å; F241-N253 HydrophobicContact CD1-CB 3.73Å; F241-N253 WeakPolarHBondContact CD1-OD1 3.06Å; F241-N253 HydrophobicContact CE1-CB 4.32Å; F241-N253 HydrophobicContact CG-CB 4.33Å; S242-N253 PolarHBondContact O-ND2 2.77Å; S242-N253 PolarHBondContact O-OD1 3.39Å
254	I	95.7	Very high	95.3	Very high	53 Å²	53	60 Å²	60	27%	0.272	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	143.3	173.8	-58	-60.2	0	0	0	109.3	E128 R252 L284	E128-I254 WeakPolarHBondContact OE1-CD1 3.11Å; E128-I254 WeakPolarHBondContact OE1-CG1 3.36Å; R252-I254 HydrophobicContact CG-CD1 4.2Å; I254-L284 HydrophobicContact CD1-CD1 3.61Å
255	F	94.7	Very high	95.3	Very high	7 Å²	7	61.7 Å²	61.7	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	136	178.6	-57.5	-16.7	0	0	0	110.3	F198 T199 V201 V220 L232 F241 L257 I264	F198-F255 HydrophobicContact CB-CE2 3.87Å; T199-F255 PolarHBondContact O-N 3.24Å; V201-F255 HydrophobicContact CG2-CE1 4.04Å; V201-F255 HydrophobicContact CG2-CZ 3.87Å; V220-F255 HydrophobicContact CB-CE1 4.48Å; V220-F255 HydrophobicContact CB-CZ 4.36Å; V220-F255 HydrophobicContact CG1-CE1 4.49Å; V220-F255 HydrophobicContact CG1-CZ 3.89Å; V220-F255 HydrophobicContact CG2-CE1 3.93Å; V220-F255 HydrophobicContact CG2-CZ 4.1Å; L232-F255 HydrophobicContact CD2-CB 4.16Å; L232-F255 HydrophobicContact CD2-CD1 3.97Å; L232-F255 HydrophobicContact CD2-CD2 3.65Å; L232-F255 HydrophobicContact CD2-CE1 4.28Å; L232-F255 HydrophobicContact CD2-CE2 3.97Å; L232-F255 HydrophobicContact CD2-CG 3.66Å; L232-F255 HydrophobicContact CD2-CZ 4.28Å; F241-F255 HydrophobicContact CE1-CD1 4.05Å; F241-F255 HydrophobicContact CE2-CD1 4.35Å; F241-F255 HydrophobicContact CE2-CE1 4.35Å; F241-F255 AromaticContact CZ-CD1 3.56Å; F241-F255 HydrophobicContact CZ-CD1 3.56Å; F241-F255 AromaticContact CZ-CE1 3.98Å; F241-F255 HydrophobicContact CZ-CE1 3.98Å; F255-L257 WeakPolarHBondContact CB-O 3.43Å; F255-L257 PolarHBondContact O-N 3.3Å; F255-L257 VanDerWaalsContact O-N 3.12Å; F255-I264 HydrophobicContact CE2-CD1 4.3Å; F255-I264 HydrophobicContact CZ-CD1 4.03Å
256	P	91.3	Very high	95.4	Very high	90 Å²	90	51 Å²	51	58%	0.584	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	-26.4	177.6	-26.3	35	0	0	0	114.2	L239	L239-P256 HydrophobicContact CD2-CG 3.97Å
257	L	90.6	Very high	95.6	Very high	136 Å²	136	48 Å²	48	71%	0.712	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.4	138	169	-67.3	173.7	0	0	0	108.5	F255	F255-L257 WeakPolarHBondContact CB-O 3.43Å; F255-L257 PolarHBondContact O-N 3.3Å; F255-L257 VanDerWaalsContact O-N 3.12Å
258	P	93.6	Very high	95.9	Very high	67 Å²	67	46.3 Å²	46.3	44%	0.435	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	145.3	175.7	31.2	-35.9	0	0	0	111	K197 F198 T199	K197-P258 HydrophobicContact CD-CB 4.34Å; K197-P258 VanDerWaalsContact CE-CB 3.45Å; K197-P258 HydrophobicContact CG-CB 3.93Å; F198-P258 WeakPolarHBondContact O-CA 3.29Å; T199-P258 HydrophobicContact CG2-CB 4.11Å
259	V	94.9	Very high	96.1	Very high	38 Å²	38	47.6 Å²	47.6	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.7	-172.6	-173.3	0	0	0	0	110.7	F198 V222 L232	F198-V259 PolarHBondContact N-O 2.93Å; F198-V259 PolarHBondContact O-N 3.19Å; V222-V259 HydrophobicContact CG1-CG1 4.36Å; V222-V259 HydrophobicContact CG2-CG1 3.84Å; L232-V259 HydrophobicContact CD1-CG2 4.29Å; L232-V259 HydrophobicContact CD2-CG2 4.06Å; L232-V259 HydrophobicContact CG-CG2 4.06Å
260	V	96	Very high	96.3	Very high	73 Å²	73	44.2 Å²	44.2	44%	0.442	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119.1	176.8	177.1	0	0	0	0	110.2	L195 T196 K197 L288	L195-V260 HydrophobicContact CB-CG1 4.36Å; T196-V260 WeakPolarHBondContact O-CA 3.47Å; K197-V260 HydrophobicContact CB-CG2 4.23Å; V260-L288 HydrophobicContact CG1-CD1 3.54Å; V260-L288 HydrophobicContact CG2-CD1 4.11Å
261	A	96.9	Very high	96.4	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	176.7	173.8	0	0	0	0	0	111.3	T196 F198 V222 N224	T196-A261 PolarHBondContact N-O 3.12Å; T196-A261 PolarHBondContact O-N 3.4Å; T196-A261 VanDerWaalsContact O-O 3.11Å; F198-A261 HydrophobicContact CD2-CB 4.23Å; F198-A261 HydrophobicContact CE2-CB 3.92Å; V222-A261 HydrophobicContact CB-CB 3.7Å; V222-A261 HydrophobicContact CG1-CB 4.23Å; V222-A261 HydrophobicContact CG2-CB 4.29Å; N224-A261 VanDerWaalsContact OD1-CA 3.26Å; N224-A261 WeakPolarHBondContact OD1-CA 3.37Å
262	R	95.7	Very high	96.4	Very high	83 Å²	83	46.9 Å²	46.9	31%	0.313	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-41	169	175	175.2	166.7	-179.3	-3.5	112.3	D191 A192 R193 S223 N224	D191-R262 WeakPolarHBondContact OD1-CG 3.36Å; D191-R262 IonicContact OD1-CZ 3.75Å; D191-R262 IonicContact OD1-NE 3.9Å; D191-R262 PolarHBondContact OD1-NE 2.74Å; D191-R262 IonicContact OD1-NH2 2.73Å; D191-R262 PolarHBondContact OD1-NH2 3.11Å; D191-R262 IonicContact OD2-CZ 3.71Å; D191-R262 IonicContact OD2-NE 3.96Å; D191-R262 PolarHBondContact OD2-NE 2.86Å; D191-R262 IonicContact OD2-NH2 2.84Å; D191-R262 PolarHBondContact OD2-NH2 2.89Å; A192-R262 WeakPolarHBondContact CB-O 3.5Å; A192-R262 PolarHBondContact N-O 2.93Å; R193-R262 PolarHBondContact O-NE 1.75Å; S223-R262 PolarHBondContact O-N 2.79Å; S223-R262 VanDerWaalsContact O-N 3.13Å; N224-R262 PolarHBondContact OD1-N 3.01Å
263	Y	98.3	Very high	96.3	Very high	25 Å²	25	52.9 Å²	52.9	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.3	-175.9	-58	-94.4	0	0	0	110.5	V190 D191 V222 S223	V190-Y263 WeakPolarHBondContact O-CA 3.34Å; D191-Y263 HydrophobicContact CB-CD1 3.69Å; D191-Y263 HydrophobicContact CB-CE1 3.53Å; D191-Y263 WeakPolarHBondContact OD2-CE1 3.45Å; D191-Y263 PolarHBondContact OD2-OH 3.14Å; V222-Y263 WeakPolarHBondContact CA-O 3.3Å; S223-Y263 PolarHBondContact N-O 3Å; S223-Y263 PolarHBondContact O-N 2.72Å
264	I	98.6	Very high	96	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.5	174	-174.8	166.8	0	0	0	110.1	E189 V190 F198 V201 V220 V222 F255 I283	E189-I264 CarbonylContact C-O 3.37Å; E189-I264 VanDerWaalsContact CA-O 3.28Å; E189-I264 WeakPolarHBondContact CA-O 3.39Å; V190-I264 HydrophobicContact CB-CG2 3.9Å; V190-I264 HydrophobicContact CG2-CG2 4.45Å; V190-I264 PolarHBondContact N-O 3.4Å; V190-I264 PolarHBondContact O-N 2.96Å; V190-I264 VanDerWaalsContact O-N 3.08Å; F198-I264 HydrophobicContact CB-CD1 4.2Å; F198-I264 HydrophobicContact CD1-CB 4.41Å; F198-I264 HydrophobicContact CD1-CD1 4.04Å; F198-I264 HydrophobicContact CD1-CG2 4.26Å; F198-I264 HydrophobicContact CD2-CB 4.38Å; F198-I264 HydrophobicContact CD2-CD1 4.46Å; F198-I264 HydrophobicContact CE1-CB 4.07Å; F198-I264 HydrophobicContact CE1-CG2 3.68Å; F198-I264 HydrophobicContact CE2-CB 4.05Å; F198-I264 HydrophobicContact CE2-CG2 4.48Å; F198-I264 HydrophobicContact CG-CD1 4Å; F198-I264 HydrophobicContact CZ-CB 3.88Å; F198-I264 HydrophobicContact CZ-CG2 3.81Å; V201-I264 HydrophobicContact CG2-CD1 4.3Å; V220-I264 HydrophobicContact CG1-CD1 3.75Å; V220-I264 HydrophobicContact CG1-CG1 3.7Å; V222-I264 HydrophobicContact CG1-CG1 4.35Å; F255-I264 HydrophobicContact CE2-CD1 4.3Å; F255-I264 HydrophobicContact CZ-CD1 4.03Å; I264-I283 HydrophobicContact CD1-CD1 4.46Å; I264-I283 HydrophobicContact CD1-CG2 4.17Å; I264-I283 HydrophobicContact CG2-CD1 4.32Å; I264-I283 HydrophobicContact CG2-CG1 4.32Å; I264-I283 HydrophobicContact CG2-CG2 4.17Å
265	R	98.3	Very high	95.9	Very high	37 Å²	37	52.6 Å²	52.6	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.3	174.9	-91.7	177.4	-170.9	163.9	13.3	110.6	W187 L188 E189 V220 M221 W229	W187-R265 HydrophobicContact CB-CB 4.43Å; W187-R265 HydrophobicContact CB-CG 4.2Å; W187-R265 HydrophobicContact CD2-CG 4.1Å; W187-R265 HydrophobicContact CE3-CG 3.94Å; W187-R265 HydrophobicContact CG-CG 4.22Å; L188-R265 CarbonylContact O-C 3.55Å; L188-R265 VanDerWaalsContact O-CA 3.24Å; L188-R265 WeakPolarHBondContact O-CA 3.4Å; E189-R265 HydrophobicContact CB-CG 3.74Å; E189-R265 HydrophobicContact CG-CG 4.08Å; E189-R265 IonicContact OE2-CZ 3.7Å; E189-R265 IonicContact OE2-NE 2.77Å; E189-R265 PolarHBondContact OE2-NE 2.95Å; E189-R265 IonicContact OE2-NH2 3.78Å; E189-R265 PolarHBondContact OE2-NH2 3.39Å; V220-R265 WeakPolarHBondContact CA-O 3.45Å; M221-R265 HydrophobicContact CB-CB 4.2Å; M221-R265 PolarHBondContact N-O 2.66Å; M221-R265 PolarHBondContact O-N 3.28Å; W229-R265 HydrophobicContact CE3-CB 4.2Å; W229-R265 HydrophobicContact CE3-CG 4.21Å; W229-R265 HydrophobicContact CH2-CB 4.19Å; W229-R265 HydrophobicContact CH2-CG 3.54Å; W229-R265 HydrophobicContact CZ2-CG 4.2Å; W229-R265 VanDerWaalsContact CZ2-NE 3.32Å; W229-R265 HydrophobicContact CZ3-CB 3.69Å; W229-R265 HydrophobicContact CZ3-CG 3.57Å
266	V	98.6	Very high	95.9	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	117.6	163.9	-171.2	0	0	0	0	107.9	W187 L188 V201 Y218 P268 M279 I283	W187-V266 WeakPolarHBondContact CA-O 3.42Å; W187-V266 WeakPolarHBondContact CB-O 3.25Å; L188-V266 PolarHBondContact N-O 2.96Å; L188-V266 PolarHBondContact O-N 2.88Å; V201-V266 HydrophobicContact CG1-CG2 4.01Å; V201-V266 HydrophobicContact CG2-CG2 4.28Å; Y218-V266 HydrophobicContact CD1-CG1 4.08Å; Y218-V266 HydrophobicContact CD2-CG1 3.57Å; Y218-V266 HydrophobicContact CE2-CG1 4.17Å; Y218-V266 HydrophobicContact CG-CG1 3.52Å; V266-P268 WeakPolarHBondContact O-CD 3.38Å; V266-M279 HydrophobicContact CB-CE 4.19Å; V266-M279 HydrophobicContact CG1-CE 3.88Å; V266-M279 HydrophobicContact CG1-SD 4.08Å; V266-I283 HydrophobicContact CG2-CD1 4.49Å
267	N	98.4	Very high	96.3	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.043	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	103	178.8	165.4	-121.1	0	0	0	110.1	P184 Q186 Y218 K219 M221 R269	P184-N267 PolarHBondContact O-ND2 2.95Å; Q186-N267 WeakPolarHBondContact O-CA 3.28Å; Q186-N267 PolarHBondContact O-ND2 3.17Å; Y218-N267 CarbonylContact C-O 3.46Å; Y218-N267 VanDerWaalsContact CA-O 3.3Å; Y218-N267 WeakPolarHBondContact CA-O 3.19Å; Y218-N267 WeakPolarHBondContact CB-O 3.47Å; K219-N267 VanDerWaalsContact CE-OD1 3.28Å; K219-N267 WeakPolarHBondContact CE-OD1 3.5Å; K219-N267 HydrophobicContact CG-CB 3.99Å; K219-N267 WeakPolarHBondContact CG-OD1 3.42Å; K219-N267 PolarHBondContact N-O 3.32Å; K219-N267 PolarHBondContact O-N 3.25Å; M221-N267 HydrophobicContact SD-CB 4.35Å; N267-R269 PolarHBondContact O-N 3.08Å; N267-R269 VanDerWaalsContact OD1-CD 3.24Å; N267-R269 WeakPolarHBondContact OD1-CD 3.37Å; N267-R269 PolarHBondContact OD1-NH1 3.41Å
268	P	98.4	Very high	96.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	136.7	173.1	-30.5	39.2	0	0	0	113	W177 Q186 V215 V266 V277 M279	W177-P268 HydrophobicContact CH2-CG 4.45Å; W177-P268 HydrophobicContact CZ3-CG 4.27Å; Q186-P268 WeakPolarHBondContact O-CD 3.35Å; V215-P268 HydrophobicContact CG1-CB 3.98Å; V215-P268 HydrophobicContact CG1-CG 4.26Å; V215-P268 HydrophobicContact CG2-CB 3.83Å; V215-P268 HydrophobicContact CG2-CG 3.68Å; V266-P268 WeakPolarHBondContact O-CD 3.38Å; P268-V277 HydrophobicContact CB-CG1 3.85Å; P268-V277 HydrophobicContact CG-CG1 3.75Å; P268-M279 HydrophobicContact CG-SD 4.12Å
269	R	97.8	Very high	96.8	Very high	88 Å²	88	38.9 Å²	38.9	33%	0.332	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-32.2	177.9	-57.3	-47.1	-55.3	163.9	9.6	112.1	P184 S217 K219 N267	P184-R269 PolarHBondContact O-NH1 3.4Å; S217-R269 PolarHBondContact O-N 3.44Å; K219-R269 HydrophobicContact CB-CG 4.39Å; K219-R269 HydrophobicContact CG-CG 4.48Å; N267-R269 PolarHBondContact O-N 3.08Å; N267-R269 VanDerWaalsContact OD1-CD 3.24Å; N267-R269 WeakPolarHBondContact OD1-CD 3.37Å; N267-R269 PolarHBondContact OD1-NH1 3.41Å
270	S	98.1	Very high	97	Very high	42 Å²	42	37.1 Å²	37.1	29%	0.294	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	156.8	170.3	66	0	0	0	0	110.6	T216 S217	T216-S270 PolarHBondContact N-O 3.26Å; T216-S270 WeakPolarHBondContact OG1-CB 3.48Å; T216-S270 PolarHBondContact OG1-O 2.73Å; T216-S270 PolarHBondContact OG1-OG 2.72Å; S217-S270 WeakPolarHBondContact CB-OG 3.39Å; S217-S270 PolarHBondContact N-O 2.71Å; S217-S270 VanDerWaalsContact N-O 3.14Å; S217-S270 PolarHBondContact N-OG 3.19Å; S217-S270 PolarHBondContact O-N 3.43Å; S217-S270 PolarHBondContact OG-N 2.87Å; S217-S270 PolarHBondContact OG-OG 2.99Å
271	W	97.9	Very high	97.1	Very high	63 Å²	63	33.7 Å²	33.7	24%	0.239	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	-177.5	179.9	50.5	100.9	0	0	0	110.1	D182 W214 T216 G275 V277	D182-W271 HydrophobicContact CB-CZ2 3.83Å; D182-W271 WeakPolarHBondContact O-CH2 3.34Å; D182-W271 WeakPolarHBondContact O-CZ2 3.47Å; W214-W271 CarbonylContact O-C 3.49Å; W214-W271 VanDerWaalsContact O-CA 3.27Å; W214-W271 WeakPolarHBondContact O-CA 3.32Å; W214-W271 WeakPolarHBondContact O-CB 3.1Å; T216-W271 WeakPolarHBondContact OG1-CA 3.33Å; T216-W271 PolarHBondContact OG1-N 2.84Å; T216-W271 PolarHBondContact OG1-O 3.48Å; W271-G275 VanDerWaalsContact CD1-O 3.29Å; W271-V277 HydrophobicContact CB-CG2 4.44Å; W271-V277 HydrophobicContact CD2-CG2 3.4Å; W271-V277 VanDerWaalsContact CD2-CG2 3.4Å; W271-V277 HydrophobicContact CE3-CG2 3.44Å; W271-V277 VanDerWaalsContact CE3-CG2 3.44Å; W271-V277 HydrophobicContact CG-CG2 3.87Å; W271-V277 HydrophobicContact CH2-CG2 4.18Å; W271-V277 HydrophobicContact CZ2-CG2 4.15Å; W271-V277 HydrophobicContact CZ3-CG2 3.84Å
272	F	97.2	Very high	97.1	Very high	46 Å²	46	33.7 Å²	33.7	20%	0.202	16%	0.163	C	C	.	.			trans	-64.9	131.2	173.7	177	-119.9	0	0	0	110.8	S212 W214 G274 G275	S212-F272 VanDerWaalsContact O-CD1 3.27Å; S212-F272 WeakPolarHBondContact O-CD1 3.47Å; W214-F272 HydrophobicContact CD2-CB 3.9Å; W214-F272 HydrophobicContact CD2-CG 4.37Å; W214-F272 AromaticContact CE2-CG 3.96Å; W214-F272 HydrophobicContact CE3-CB 4.33Å; W214-F272 HydrophobicContact CE3-CG 4.48Å; W214-F272 HydrophobicContact CG-CB 4.33Å; W214-F272 HydrophobicContact CH2-CB 4.37Å; W214-F272 HydrophobicContact CH2-CD1 4.11Å; W214-F272 AromaticContact CH2-CD2 3.73Å; W214-F272 HydrophobicContact CH2-CD2 3.73Å; W214-F272 HydrophobicContact CH2-CE1 4.34Å; W214-F272 AromaticContact CH2-CE2 3.98Å; W214-F272 HydrophobicContact CH2-CE2 3.98Å; W214-F272 AromaticContact CH2-CG 3.8Å; W214-F272 HydrophobicContact CH2-CG 3.8Å; W214-F272 HydrophobicContact CH2-CZ 4.29Å; W214-F272 HydrophobicContact CZ2-CB 3.95Å; W214-F272 HydrophobicContact CZ2-CD1 4.43Å; W214-F272 AromaticContact CZ2-CD2 3.39Å; W214-F272 HydrophobicContact CZ2-CD2 3.39Å; W214-F272 AromaticContact CZ2-CE2 3.97Å; W214-F272 HydrophobicContact CZ2-CE2 3.97Å; W214-F272 AromaticContact CZ2-CG 3.67Å; W214-F272 HydrophobicContact CZ2-CG 3.67Å; W214-F272 HydrophobicContact CZ3-CD1 4.27Å; W214-F272 HydrophobicContact CZ3-CG 4.22Å; W214-F272 PolarHBondContact O-N 2.81Å; F272-G274 PolarHBondContact O-N 2.76Å; F272-G274 VanDerWaalsContact O-N 3.09Å; F272-G275 PolarHBondContact O-N 2.77Å; F272-G275 VanDerWaalsContact O-N 3.11Å
273	Y	93.6	Very high	97.2	Very high	219 Å²	219	29.9 Å²	29.9	86%	0.859	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.9	-173	71.3	-94.9	0	0	0	114.4
274	G	92.3	Very high	97.2	Very high	57 Å²	57	28.8 Å²	28.8	59%	0.588	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.3	12.4	177.8	0	0	0	0	0	114.5	F272	F272-G274 PolarHBondContact O-N 2.76Å; F272-G274 VanDerWaalsContact O-N 3.09Å
275	G	93.2	Very high	97	Very high	18 Å²	18	28.8 Å²	28.8	19%	0.186	15%	0.146	C	C	.	.	S	Bend	trans	-141.6	-176.5	-178.4	0	0	0	0	0	112.9	D213 W271 F272	D213-G275 WeakPolarHBondContact OD1-CA 3.21Å; W271-G275 VanDerWaalsContact CD1-O 3.29Å; F272-G275 PolarHBondContact O-N 2.77Å; F272-G275 VanDerWaalsContact O-N 3.11Å
276	S	95.2	Very high	96.8	Very high	12 Å²	12	29 Å²	29	8%	0.084	15%	0.152	C	C	.	.			trans	-93.2	171	178.1	-77	0	0	0	0	113.1	K150 D182 D213 C278	K150-S276 PolarHBondContact NZ-OG 2.9Å; D182-S276 WeakPolarHBondContact OD1-CA 3.49Å; D182-S276 VanDerWaalsContact OD1-CB 3.25Å; D182-S276 WeakPolarHBondContact OD1-CB 3.01Å; D182-S276 PolarHBondContact OD1-OG 2.82Å; D182-S276 PolarHBondContact OD2-OG 2.8Å; D213-S276 PolarHBondContact OD1-N 3.44Å; S276-C278 VanDerWaalsContact C-N 3.34Å; S276-C278 PolarHBondContact O-N 3.23Å
277	V	98.1	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-68.2	88.9	167.2	179.3	0	0	0	0	109.3	W177 C178 A179 D182 Q186 V215 P268 W271	W177-V277 HydrophobicContact CH2-CG1 4.39Å; C178-V277 WeakPolarHBondContact CA-O 3.49Å; A179-V277 HydrophobicContact CB-CB 4.14Å; A179-V277 HydrophobicContact CB-CG1 4.11Å; A179-V277 PolarHBondContact N-O 2.86Å; D182-V277 HydrophobicContact CB-CG2 4.34Å; D182-V277 PolarHBondContact OD1-N 3.48Å; Q186-V277 HydrophobicContact CB-CG1 4.36Å; V215-V277 HydrophobicContact CG2-CG1 4.44Å; P268-V277 HydrophobicContact CB-CG1 3.85Å; P268-V277 HydrophobicContact CG-CG1 3.75Å; W271-V277 HydrophobicContact CB-CG2 4.44Å; W271-V277 HydrophobicContact CD2-CG2 3.4Å; W271-V277 VanDerWaalsContact CD2-CG2 3.4Å; W271-V277 HydrophobicContact CE3-CG2 3.44Å; W271-V277 VanDerWaalsContact CE3-CG2 3.44Å; W271-V277 HydrophobicContact CG-CG2 3.87Å; W271-V277 HydrophobicContact CH2-CG2 4.18Å; W271-V277 HydrophobicContact CZ2-CG2 4.15Å; W271-V277 HydrophobicContact CZ3-CG2 3.84Å
278	C	97.8	Very high	95.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.4	174.8	-55.1	0	0	0	0	111.6	A176 W177 C178 R206 D213 W214 V215 S276	A176-C278 HydrophobicContact CB-CB 4.36Å; W177-C278 CarbonylContact O-C 3.4Å; W177-C278 WeakPolarHBondContact O-CA 3.5Å; C178-C278 HydrophobicContact CB-CB 4.04Å; C178-C278 WeakPolarHBondContact CB-SG 3.34Å; C178-C278 WeakPolarHBondContact SG-CB 3.22Å; C178-C278 CovalentContact SG-SG 2.02Å; C178-C278 PolarHBondContact SG-SG 2.76Å; R206-C278 HydrophobicContact CB-CB 4.13Å; D213-C278 HydrophobicContact CB-CB 3.52Å; D213-C278 WeakPolarHBondContact CB-SG 3.46Å; W214-C278 CarbonylContact C-O 3.27Å; W214-C278 WeakPolarHBondContact CA-O 3.33Å; V215-C278 PolarHBondContact N-O 3.09Å; S276-C278 VanDerWaalsContact C-N 3.34Å; S276-C278 PolarHBondContact O-N 3.23Å
279	M	97.6	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	152.2	173	54.3	177.1	-72.6	0	0	113.4	W177 L188 T203 Q204 V215 V266 P268 A281	W177-M279 HydrophobicContact CE3-CG 3.62Å; W177-M279 HydrophobicContact CE3-SD 4.4Å; W177-M279 HydrophobicContact CZ3-CG 3.78Å; W177-M279 HydrophobicContact CZ3-SD 4.07Å; W177-M279 PolarHBondContact N-O 3.39Å; W177-M279 PolarHBondContact O-N 2.78Å; L188-M279 HydrophobicContact CD2-CE 4.5Å; T203-M279 HydrophobicContact CG2-CE 3.72Å; Q204-M279 WeakPolarHBondContact O-CA 3.38Å; V215-M279 HydrophobicContact CB-CB 4.39Å; V215-M279 HydrophobicContact CB-SD 4.47Å; V215-M279 HydrophobicContact CG2-CB 3.98Å; V215-M279 HydrophobicContact CG2-CG 4.04Å; V215-M279 HydrophobicContact CG2-SD 3.97Å; V266-M279 HydrophobicContact CB-CE 4.19Å; V266-M279 HydrophobicContact CG1-CE 3.88Å; V266-M279 HydrophobicContact CG1-SD 4.08Å; P268-M279 HydrophobicContact CG-SD 4.12Å; M279-A281 HydrophobicContact CE-CB 3.7Å
280	R	98.4	Very high	93.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	147.6	161.7	-74.9	-173.4	-73.8	-178.6	1.9	108.1	R160 N162 I163 G175 A176 T203 Q204 G205 K247 E248	R160-R280 WeakPolarHBondContact O-CB 3.45Å; R160-R280 WeakPolarHBondContact O-CD 3.47Å; R160-R280 WeakPolarHBondContact O-CG 3.25Å; N162-R280 PolarHBondContact O-NH1 3.16Å; I163-R280 HydrophobicContact CG2-CG 4.07Å; I163-R280 WeakPolarHBondContact O-CD 3.45Å; I163-R280 PolarHBondContact O-NH1 3.29Å; G175-R280 VanDerWaalsContact O-CD 3.27Å; G175-R280 WeakPolarHBondContact O-CD 3.41Å; G175-R280 WeakPolarHBondContact O-CG 3.33Å; A176-R280 HydrophobicContact CB-CG 4.2Å; T203-R280 WeakPolarHBondContact CA-O 2.9Å; Q204-R280 HydrophobicContact CB-CB 3.98Å; Q204-R280 VanDerWaalsContact CD-CZ 3.41Å; Q204-R280 PolarHBondContact N-O 3.3Å; Q204-R280 PolarHBondContact O-N 2.84Å; Q204-R280 VanDerWaalsContact OE1-NE 3.12Å; G205-R280 PolarHBondContact O-NE 3.2Å; G205-R280 PolarHBondContact O-NH2 3.34Å; G205-R280 VanDerWaalsContact O-NH2 3.11Å; K247-R280 PolarHBondContact O-NH2 2.96Å; E248-R280 IonicContact OE2-NH2 3.57Å; E248-R280 PolarHBondContact OE2-NH2 3.45Å
281	A	98.2	Very high	92.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.008	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	156.6	-178.9	0	0	0	0	0	114.8	L134 G159 R160 L161 L188 V202 M279	L134-A281 WeakPolarHBondContact CB-O 3.43Å; L134-A281 WeakPolarHBondContact CD2-O 3.4Å; G159-A281 PolarHBondContact O-N 3.28Å; R160-A281 CarbonylContact C-O 3.6Å; L161-A281 PolarHBondContact N-O 3.11Å; L188-A281 HydrophobicContact CD2-CB 4.33Å; V202-A281 CarbonylContact O-C 3.56Å; V202-A281 WeakPolarHBondContact O-CA 3.33Å; M279-A281 HydrophobicContact CE-CB 3.7Å
282	E	98.1	Very high	90.6	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.2	165	-178.9	55.4	-101.3	0	0	108.8	P131 M132 G133 L134 E135 L161 V201 V202	P131-E282 HydrophobicContact CB-CG 3.43Å; P131-E282 VanDerWaalsContact CB-CG 3.43Å; M132-E282 PolarHBondContact N-OE1 3.45Å; G133-E282 PolarHBondContact N-OE1 3.26Å; L134-E282 WeakPolarHBondContact CA-OE2 3.29Å; L134-E282 WeakPolarHBondContact CB-OE2 3.34Å; L134-E282 VanDerWaalsContact CD1-OE1 3.29Å; L134-E282 WeakPolarHBondContact CD1-OE1 3.12Å; L134-E282 PolarHBondContact N-OE1 3.45Å; L134-E282 PolarHBondContact N-OE2 2.87Å; E135-E282 PolarHBondContact N-OE2 3.24Å; L161-E282 HydrophobicContact CB-CB 3.83Å; L161-E282 HydrophobicContact CD2-CB 3.73Å; L161-E282 HydrophobicContact CG-CB 4.38Å; V201-E282 WeakPolarHBondContact CA-O 3.49Å; V202-E282 HydrophobicContact CB-CB 4.31Å; V202-E282 PolarHBondContact N-O 3.09Å; V202-E282 PolarHBondContact O-N 3.17Å
283	I	97.8	Very high	88.9	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.6	-177.5	-54.9	-59	0	0	0	108.8	P131 M132 L134 V190 F198 V201 I264 V266	P131-I283 CarbonylContact C-O 3.59Å; P131-I283 WeakPolarHBondContact CA-O 3.23Å; M132-I283 WeakPolarHBondContact CB-O 3.28Å; M132-I283 HydrophobicContact CG-CB 4.49Å; M132-I283 WeakPolarHBondContact CG-O 3.21Å; M132-I283 PolarHBondContact N-O 3.41Å; M132-I283 HydrophobicContact SD-CB 4.02Å; M132-I283 HydrophobicContact SD-CG2 3.6Å; L134-I283 HydrophobicContact CD1-CB 4.24Å; L134-I283 HydrophobicContact CD1-CG1 3.91Å; V190-I283 HydrophobicContact CB-CG1 4.43Å; V190-I283 HydrophobicContact CG2-CD1 4.37Å; V190-I283 HydrophobicContact CG2-CG1 3.83Å; F198-I283 HydrophobicContact CD1-CG2 3.6Å; F198-I283 HydrophobicContact CE1-CG2 3.89Å; V201-I283 HydrophobicContact CG1-CD1 4.21Å; V201-I283 HydrophobicContact CG2-CD1 3.91Å; I264-I283 HydrophobicContact CD1-CD1 4.46Å; I264-I283 HydrophobicContact CD1-CG2 4.17Å; I264-I283 HydrophobicContact CG2-CD1 4.32Å; I264-I283 HydrophobicContact CG2-CG1 4.32Å; I264-I283 HydrophobicContact CG2-CG2 4.17Å; V266-I283 HydrophobicContact CG2-CD1 4.49Å
284	L	97.6	Very high	86.9	Confident	3 Å²	3	44.8 Å²	44.8	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118.8	175	-54.6	-178.7	0	0	0	109	P130 P131 F198 T199 G200 V202 R252 I254 E429	P130-L284 WeakPolarHBondContact O-CA 3.38Å; P131-L284 HydrophobicContact CB-CD2 4.28Å; F198-L284 WeakPolarHBondContact CA-O 3.48Å; T199-L284 PolarHBondContact N-O 3.43Å; T199-L284 WeakPolarHBondContact OG1-CB 3.42Å; T199-L284 PolarHBondContact OG1-O 3.29Å; G200-L284 PolarHBondContact O-N 3.36Å; V202-L284 HydrophobicContact CG2-CD2 4.44Å; R252-L284 HydrophobicContact CG-CD1 4.45Å; I254-L284 HydrophobicContact CD1-CD1 3.61Å; L284-E429 HydrophobicContact CD2-CG 4.38Å
285	G	95.4	Very high	84.8	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.021	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	131	-173.1	0	0	0	0	0	116.4	C129 P130 K197 P287	C129-G285 VanDerWaalsContact CB-C 3.44Å; P130-G285 PolarHBondContact O-N 3.42Å; K197-G285 CarbonylContact O-C 3.55Å; K197-G285 VanDerWaalsContact O-CA 3.28Å; K197-G285 WeakPolarHBondContact O-CA 3.46Å; G285-P287 WeakPolarHBondContact O-CD 3.49Å
286	C	93	Very high	82.7	Confident	41 Å²	41	53 Å²	53	28%	0.277	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116	177.3	-59.3	0	0	0	0	110.1	C129 T196 K197 L288	C129-C286 VanDerWaalsContact CA-SG 3.6Å; C129-C286 HydrophobicContact CB-CB 4.03Å; C129-C286 VanDerWaalsContact CB-N 3.33Å; C129-C286 WeakPolarHBondContact CB-SG 3.43Å; C129-C286 WeakPolarHBondContact SG-CB 3.32Å; C129-C286 PolarHBondContact SG-N 2.69Å; C129-C286 CovalentContact SG-SG 2.03Å; C129-C286 PolarHBondContact SG-SG 3Å; T196-C286 WeakPolarHBondContact CA-O 3.38Å; K197-C286 HydrophobicContact CB-CB 4.4Å; K197-C286 PolarHBondContact N-O 2.7Å; K197-C286 PolarHBondContact O-N 2.85Å; C286-L288 PolarHBondContact O-N 3.13Å
287	P	89.9	Confident	80.5	Confident	57 Å²	57	61.5 Å²	61.5	37%	0.37	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	134.4	174.5	-19.8	32.8	0	0	0	111.4	R194 G285	R194-P287 HydrophobicContact CG-CB 4.13Å; R194-P287 VanDerWaalsContact NE-CB 3.29Å; G285-P287 WeakPolarHBondContact O-CD 3.49Å
288	L	88.9	Confident	78.2	Confident	65 Å²	65	70 Å²	70	34%	0.34	34%	0.341	S	S	.	.			trans	-77.2	143.9	178.5	-62.3	-176.3	0	0	0	111.1	L195 K197 V260 C286 D290	L195-L288 HydrophobicContact CB-CD1 4.28Å; L195-L288 WeakPolarHBondContact O-CB 3.38Å; L195-L288 PolarHBondContact O-N 3.41Å; K197-L288 HydrophobicContact CB-CD2 4.29Å; V260-L288 HydrophobicContact CG1-CD1 3.54Å; V260-L288 HydrophobicContact CG2-CD1 4.11Å; C286-L288 PolarHBondContact O-N 3.13Å; L288-D290 PolarHBondContact O-N 2.88Å
289	P	79.4	Confident	75.9	Confident	116 Å²	116	75.9 Å²	75.9	75%	0.753	37%	0.372	S	S	*	.			trans	-71.6	110.1	178.3	28.4	-34	0	0	0	111	P291	P289-P291 WeakPolarHBondContact O-CD 3.35Å
290	D	70.2	Confident	74.2	Confident	80 Å²	80	80.1 Å²	80.1	43%	0.428	39%	0.392	S	S	.	.			trans	-82.4	115.4	171.6	-178.5	-7.8	0	0	0	110.1	L288 N292 N293	L288-D290 PolarHBondContact O-N 2.88Å; D290-N292 PolarHBondContact O-N 3.05Å; D290-N292 WeakPolarHBondContact OD1-CB 3.44Å; D290-N292 PolarHBondContact OD1-N 2.91Å; D290-N292 PolarHBondContact OD1-ND2 2.98Å; D290-N293 HydrophobicContact CB-CB 3.87Å; D290-N293 PolarHBondContact O-N 3.02Å; D290-N293 WeakPolarHBondContact OD2-CB 3.47Å
291	P	65.3	Low	72.5	Confident	120 Å²	120	82.3 Å²	82.3	78%	0.779	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15.6	179.9	29.2	-35.9	0	0	0	113.8	P289	P289-P291 WeakPolarHBondContact O-CD 3.35Å
292	N	66.4	Low	71.1	Confident	140 Å²	140	88.2 Å²	88.2	75%	0.749	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-22.7	177.6	-56.4	-65.8	0	0	0	112.7	D290 Y294	D290-N292 PolarHBondContact O-N 3.05Å; D290-N292 WeakPolarHBondContact OD1-CB 3.44Å; D290-N292 PolarHBondContact OD1-N 2.91Å; D290-N292 PolarHBondContact OD1-ND2 2.98Å; N292-Y294 VanDerWaalsContact C-N 3.28Å; N292-Y294 PolarHBondContact O-N 3.2Å
293	N	60.8	Low	70.1	Confident	64 Å²	64	89.1 Å²	89.1	34%	0.342	44%	0.441	S	S	.	.			trans	-90.8	57.9	-173.1	-156.8	-17.3	0	0	0	112.6	D290 Y295 H296	D290-N293 HydrophobicContact CB-CB 3.87Å; D290-N293 PolarHBondContact O-N 3.02Å; D290-N293 WeakPolarHBondContact OD2-CB 3.47Å; N293-Y295 PolarHBondContact O-N 3.12Å; N293-Y295 VanDerWaalsContact O-N 3.09Å; N293-H296 PolarHBondContact O-N 3.25Å
294	Y	50.6	Low	69.3	Low	159 Å²	159	95.3 Å²	95.3	62%	0.624	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.3	-176.8	176.9	-100.3	0	0	0	114.4	N292	N292-Y294 VanDerWaalsContact C-N 3.28Å; N292-Y294 PolarHBondContact O-N 3.2Å
295	Y	48.6	Very low	68.7	Low	170 Å²	170	96.6 Å²	96.6	67%	0.667	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-31.4	-171.5	-67	-82.5	0	0	0	114.1	N293 R297 R298	N293-Y295 PolarHBondContact O-N 3.12Å; N293-Y295 VanDerWaalsContact O-N 3.09Å; Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 2.77Å; Y295-R298 PolarHBondContact O-N 2.76Å
296	H	49.3	Very low	68.5	Low	78 Å²	78	103.9 Å²	103.9	36%	0.361	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-67.5	-30	-175	-97.7	-76	0	0	0	114.2	N293 R298 N299 E300	N293-H296 PolarHBondContact O-N 3.25Å; H296-R298 PolarHBondContact O-N 2.9Å; H296-N299 PolarHBondContact O-N 3.22Å; H296-E300 PolarHBondContact O-N 3.43Å
297	R	49.7	Very low	68.6	Low	190 Å²	190	102.8 Å²	102.8	72%	0.717	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-71.8	10.7	177	-149.3	-165	-61.5	-176.3	-0.5	114.1	Y295	Y295-R297 VanDerWaalsContact C-N 3.34Å; Y295-R297 PolarHBondContact O-N 2.77Å
298	R	48.3	Very low	68.9	Low	179 Å²	179	102.9 Å²	102.9	68%	0.675	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-109.4	-12.5	167.9	-71.7	-176.3	167.2	-161.9	-4.5	113.5	Y295 H296	Y295-R298 PolarHBondContact O-N 2.76Å; H296-R298 PolarHBondContact O-N 2.9Å
299	N	50.6	Low	69.2	Low	123 Å²	123	101.9 Å²	101.9	66%	0.658	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-18.8	179.5	-67.4	28	0	0	0	111.7	H296 V301	H296-N299 PolarHBondContact O-N 3.22Å; N299-V301 PolarHBondContact O-N 3.48Å
300	E	61.1	Low	70	Confident	90 Å²	90	99.6 Å²	99.6	42%	0.421	48%	0.482	S	S	.	.	S	Bend	trans	-62.6	121.9	165.5	-71.8	160.2	179.8	0	0	108.5	R194 H296 I302	R194-E300 IonicContact NH1-OE1 3.76Å; R194-E300 IonicContact NH2-OE1 3.88Å; H296-E300 PolarHBondContact O-N 3.43Å; E300-I302 VanDerWaalsContact C-N 3.32Å; E300-I302 PolarHBondContact O-N 2.84Å
301	V	64.3	Low	71.3	Confident	46 Å²	46	96.2 Å²	96.2	28%	0.279	46%	0.464	S	S	.	.			trans	-75.9	83.4	-177	-178.6	0	0	0	0	109.7	N299 T303 E617 E620	N299-V301 PolarHBondContact O-N 3.48Å; V301-T303 PolarHBondContact O-N 3.06Å; V301-E617 HydrophobicContact CB-CB 4.35Å; V301-E617 HydrophobicContact CB-CG 4.06Å; V301-E617 HydrophobicContact CG2-CG 4.1Å; V301-E620 HydrophobicContact CG1-CB 3.58Å; V301-E620 HydrophobicContact CG1-CG 3.85Å
302	I	68.2	Low	72.9	Confident	124 Å²	124	90.6 Å²	90.6	64%	0.636	43%	0.427	S	S	*	.			trans	-80	105.7	176.1	-57.9	169.5	0	0	0	108.4	E300	E300-I302 VanDerWaalsContact C-N 3.32Å; E300-I302 PolarHBondContact O-N 2.84Å
303	T	77.2	Confident	74.4	Confident	23 Å²	23	84.6 Å²	84.6	14%	0.141	40%	0.397	C	S	.	.			trans	-64.8	149.7	167.9	-169.3	0	0	0	0	111.3	V301 D305 F309 P616 E620	V301-T303 PolarHBondContact O-N 3.06Å; T303-D305 PolarHBondContact OG1-N 3.21Å; T303-F309 HydrophobicContact CG2-CE2 3.58Å; T303-F309 HydrophobicContact CG2-CZ 3.59Å; T303-P616 HydrophobicContact CG2-CB 4.11Å; T303-E620 WeakPolarHBondContact CA-OE1 3.23Å; T303-E620 VanDerWaalsContact CB-OE1 3.24Å; T303-E620 WeakPolarHBondContact CB-OE1 3.33Å; T303-E620 PolarHBondContact OG1-OE1 2.8Å
304	T	80.6	Confident	76.1	Confident	131 Å²	131	82.5 Å²	82.5	80%	0.804	38%	0.384	S	S	*	.			trans	-93.6	-5.8	174.5	46.9	0	0	0	0	113.4
305	D	85.3	Confident	78.4	Confident	30 Å²	30	82.6 Å²	82.6	16%	0.16	39%	0.388	C	S	.	.			trans	-88.7	129.6	-167.8	-53	-8.7	0	0	0	110.3	T303 L307 W619 R623	T303-D305 PolarHBondContact OG1-N 3.21Å; D305-L307 HydrophobicContact CB-CD1 3.78Å; D305-L307 HydrophobicContact CB-CD2 4.45Å; D305-L307 HydrophobicContact CB-CG 3.75Å; D305-L307 PolarHBondContact O-N 2.88Å; D305-L307 VanDerWaalsContact O-N 3.09Å; D305-W619 PolarHBondContact OD2-NE1 3.38Å; D305-R623 VanDerWaalsContact CG-NH1 3.3Å; D305-R623 IonicContact OD1-NH1 3.99Å; D305-R623 PolarHBondContact OD1-NH1 2.85Å; D305-R623 IonicContact OD2-CZ 3.89Å; D305-R623 IonicContact OD2-NH1 3.18Å; D305-R623 PolarHBondContact OD2-NH1 2.94Å
306	D	90.5	Very high	80.8	Confident	155 Å²	155	77.6 Å²	77.6	83%	0.829	37%	0.37	S	S	*	.			trans	-84.6	77.3	-179.1	-165.5	22.5	0	0	0	110.1
307	L	95.1	Very high	83.1	Confident	18 Å²	18	74 Å²	74	9%	0.094	35%	0.354	C	S	.	.			trans	-122.6	155.4	-173.5	-47.4	176.4	0	0	0	112.1	D305 F309 L384 Q387 F388 L391 W619	D305-L307 HydrophobicContact CB-CD1 3.78Å; D305-L307 HydrophobicContact CB-CD2 4.45Å; D305-L307 HydrophobicContact CB-CG 3.75Å; D305-L307 PolarHBondContact O-N 2.88Å; D305-L307 VanDerWaalsContact O-N 3.09Å; L307-F309 HydrophobicContact CB-CD2 4.24Å; L307-F309 HydrophobicContact CB-CE2 3.73Å; L307-F309 HydrophobicContact CB-CZ 3.9Å; L307-F309 HydrophobicContact CD1-CE1 4.5Å; L307-F309 HydrophobicContact CD1-CE2 4.49Å; L307-F309 HydrophobicContact CD1-CZ 3.9Å; L307-F309 HydrophobicContact CG-CE2 4.32Å; L307-F309 HydrophobicContact CG-CZ 4.22Å; L307-F309 WeakPolarHBondContact O-CD2 3.26Å; L307-F309 PolarHBondContact O-N 3.44Å; L307-L384 HydrophobicContact CB-CD2 3.62Å; L307-L384 HydrophobicContact CD1-CB 4.22Å; L307-L384 HydrophobicContact CD1-CD2 3.97Å; L307-L384 HydrophobicContact CG-CD2 4.43Å; L307-Q387 HydrophobicContact CD2-CB 3.77Å; L307-F388 HydrophobicContact CD1-CB 4.41Å; L307-F388 HydrophobicContact CD2-CB 4.36Å; L307-L391 HydrophobicContact CD2-CD1 3.75Å; L307-W619 HydrophobicContact CD1-CD2 4.39Å; L307-W619 HydrophobicContact CD1-CZ2 3.98Å
308	D	96.1	Very high	85.4	Confident	60 Å²	60	69.8 Å²	69.8	32%	0.321	34%	0.338	S	S	.	.			trans	-76.5	83.1	178	-159.2	0.3	0	0	0	111.8	R310 H312 L320	D308-R310 VanDerWaalsContact CG-NE 3.26Å; D308-R310 PolarHBondContact O-N 2.93Å; D308-R310 VanDerWaalsContact OD1-CD 3.3Å; D308-R310 WeakPolarHBondContact OD1-CD 3.39Å; D308-R310 IonicContact OD1-CZ 3.86Å; D308-R310 IonicContact OD1-NE 2.72Å; D308-R310 PolarHBondContact OD1-NE 3.31Å; D308-R310 IonicContact OD1-NH2 3.24Å; D308-R310 IonicContact OD2-CZ 3.03Å; D308-R310 IonicContact OD2-NE 3Å; D308-R310 PolarHBondContact OD2-NE 3.27Å; D308-R310 VanDerWaalsContact OD2-NE 3.12Å; D308-R310 IonicContact OD2-NH2 4Å; D308-R310 PolarHBondContact OD2-NH2 3.22Å; D308-H312 PolarHBondContact O-CE1 2.97Å; D308-H312 IonicContact OD2-NE2 2.66Å; D308-H312 PolarHBondContact OD2-NE2 2.89Å; D308-L320 HydrophobicContact CB-CD1 4.48Å
309	F	95.9	Very high	87.8	Confident	44 Å²	44	66.1 Å²	66.1	19%	0.193	33%	0.329	C	S	.	.			trans	-82.3	87.1	-179.4	-67	-77	0	0	0	112.9	T303 L307 L384 L615 P616 W619	T303-F309 HydrophobicContact CG2-CE2 3.58Å; T303-F309 HydrophobicContact CG2-CZ 3.59Å; L307-F309 HydrophobicContact CB-CD2 4.24Å; L307-F309 HydrophobicContact CB-CE2 3.73Å; L307-F309 HydrophobicContact CB-CZ 3.9Å; L307-F309 HydrophobicContact CD1-CE1 4.5Å; L307-F309 HydrophobicContact CD1-CE2 4.49Å; L307-F309 HydrophobicContact CD1-CZ 3.9Å; L307-F309 HydrophobicContact CG-CE2 4.32Å; L307-F309 HydrophobicContact CG-CZ 4.22Å; L307-F309 WeakPolarHBondContact O-CD2 3.26Å; L307-F309 PolarHBondContact O-N 3.44Å; F309-L384 HydrophobicContact CD1-CD1 3.89Å; F309-L384 HydrophobicContact CD1-CD2 3.74Å; F309-L384 HydrophobicContact CE1-CD1 3.77Å; F309-L384 HydrophobicContact CE1-CD2 3.71Å; F309-L384 HydrophobicContact CE1-CG 4.38Å; F309-L384 HydrophobicContact CG-CD2 4.33Å; F309-L384 HydrophobicContact CZ-CD2 4.28Å; F309-L615 HydrophobicContact CD1-CB 4.23Å; F309-P616 HydrophobicContact CB-CG 4.08Å; F309-P616 HydrophobicContact CD1-CB 4.27Å; F309-P616 HydrophobicContact CD1-CG 3.98Å; F309-P616 HydrophobicContact CD2-CG 4.39Å; F309-P616 HydrophobicContact CE1-CB 4.35Å; F309-P616 HydrophobicContact CG-CB 4.49Å; F309-P616 HydrophobicContact CG-CG 3.9Å; F309-W619 HydrophobicContact CE1-CB 3.75Å; F309-W619 AromaticContact CE1-CD1 3.84Å; F309-W619 AromaticContact CE1-CG 3.86Å; F309-W619 HydrophobicContact CE1-CG 3.86Å; F309-W619 HydrophobicContact CZ-CB 4.5Å; F309-W619 AromaticContact CZ-CD1 3.74Å; F309-W619 HydrophobicContact CZ-CG 4.22Å
310	R	95.8	Very high	90.1	Very high	67 Å²	67	60.9 Å²	60.9	25%	0.253	30%	0.3	S	S	.	.	S	Bend	trans	-164.6	176.4	174.8	62.4	-172.5	175.3	88.2	7.4	110.4	D308 H312 E316 E612 L615	D308-R310 VanDerWaalsContact CG-NE 3.26Å; D308-R310 PolarHBondContact O-N 2.93Å; D308-R310 VanDerWaalsContact OD1-CD 3.3Å; D308-R310 WeakPolarHBondContact OD1-CD 3.39Å; D308-R310 IonicContact OD1-CZ 3.86Å; D308-R310 IonicContact OD1-NE 2.72Å; D308-R310 PolarHBondContact OD1-NE 3.31Å; D308-R310 IonicContact OD1-NH2 3.24Å; D308-R310 IonicContact OD2-CZ 3.03Å; D308-R310 IonicContact OD2-NE 3Å; D308-R310 PolarHBondContact OD2-NE 3.27Å; D308-R310 VanDerWaalsContact OD2-NE 3.12Å; D308-R310 IonicContact OD2-NH2 4Å; D308-R310 PolarHBondContact OD2-NH2 3.22Å; R310-H312 PolarHBondContact NH2-CD2 2.88Å; R310-H312 PolarHBondContact NH2-NE2 2.81Å; R310-H312 VanDerWaalsContact NH2-NE2 3.2Å; R310-H312 PolarHBondContact O-CE1 3.26Å; R310-H312 PolarHBondContact O-ND1 2.96Å; R310-E316 IonicContact CZ-OE1 1.75Å; R310-E316 IonicContact NH1-OE1 3.48Å; R310-E316 PolarHBondContact NH1-OE1 2.84Å; R310-E316 IonicContact NH2-OE1 3.95Å; R310-E612 HydrophobicContact CB-CG 4.4Å; R310-E612 WeakPolarHBondContact CB-OE1 3.29Å; R310-L615 VanDerWaalsContact C-CD1 3.49Å
311	H	97.6	Very high	91.8	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.046	28%	0.281	C	S	.	.			trans	-83.9	138	171.4	-57.8	-52.7	0	0	0	111.2	V376 E380 F424 F609 P610 E612 L615	H311-V376 WeakPolarHBondContact CE1-CG1 3.26Å; H311-E380 WeakPolarHBondContact CE1-CG 3.31Å; H311-E380 IonicContact CE1-OE1 3.33Å; H311-F424 HydrophobicContact CB-CD2 4.07Å; H311-F424 HydrophobicContact CB-CE2 3.79Å; H311-F609 AromaticContact CD2-CE2 3.58Å; H311-F609 AromaticContact CG-CE2 3.74Å; H311-F609 AromaticContact ND1-CE2 3.82Å; H311-P610 PolarHBondContact NE2-O 2.72Å; H311-E612 HydrophobicContact CB-CG 4.48Å; H311-E612 WeakPolarHBondContact CD2-CG 3.49Å; H311-E612 IonicContact CD2-OE1 3.56Å; H311-E612 IonicContact CG-OE1 3.86Å; H311-E612 PolarHBondContact N-OE1 2.81Å; H311-L615 WeakPolarHBondContact NE2-CD2 3.28Å
312	H	98.1	Very high	93.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.286	C	S	.	.			trans	-108.3	115.1	-176.1	-70.6	86.9	0	0	0	111.1	D308 R310 E316 M317 L320 R379 E380 L383 Y420	D308-H312 PolarHBondContact O-CE1 2.97Å; D308-H312 IonicContact OD2-NE2 2.66Å; D308-H312 PolarHBondContact OD2-NE2 2.89Å; R310-H312 PolarHBondContact NH2-CD2 2.88Å; R310-H312 PolarHBondContact NH2-NE2 2.81Å; R310-H312 VanDerWaalsContact NH2-NE2 3.2Å; R310-H312 PolarHBondContact O-CE1 3.26Å; R310-H312 PolarHBondContact O-ND1 2.96Å; H312-E316 HydrophobicContact CB-CB 4.36Å; H312-M317 HydrophobicContact CB-CB 4.21Å; H312-L320 WeakPolarHBondContact NE2-CD1 3.36Å; H312-R379 PolarHBondContact O-NE 2.56Å; H312-R379 PolarHBondContact O-NH2 3.42Å; H312-E380 IonicContact CE1-OE2 2.74Å; H312-E380 IonicContact CG-OE2 2.71Å; H312-E380 PolarHBondContact N-OE1 2.96Å; H312-E380 IonicContact ND1-OE2 3.76Å; H312-E380 PolarHBondContact ND1-OE2 3.25Å; H312-L383 HydrophobicContact CB-CD1 4.07Å; H312-Y420 PolarHBondContact N-OH 3.42Å; H312-Y420 VanDerWaalsContact O-CE1 3.27Å; H312-Y420 WeakPolarHBondContact O-CE1 3.46Å; H312-Y420 PolarHBondContact O-OH 2.82Å
313	S	97.9	Very high	94.9	Very high	15 Å²	15	55.6 Å²	55.6	11%	0.105	27%	0.273	C	S	.	.			trans	-54	156.7	165.1	68.5	0	0	0	0	110.7	K315 E316 M317	S313-K315 PolarHBondContact O-N 3.36Å; S313-E316 VanDerWaalsContact CB-OE2 3.24Å; S313-E316 WeakPolarHBondContact CB-OE2 3.48Å; S313-E316 PolarHBondContact N-OE2 3.37Å; S313-E316 CarbonylContact O-C 3.57Å; S313-E316 WeakPolarHBondContact O-CA 3.44Å; S313-E316 PolarHBondContact O-N 2.99Å; S313-E316 WeakPolarHBondContact OG-CG 3.43Å; S313-E316 PolarHBondContact OG-N 3.11Å; S313-E316 PolarHBondContact OG-OE2 3.05Å; S313-M317 WeakPolarHBondContact O-CB 3.35Å; S313-M317 PolarHBondContact O-N 3.37Å
314	Y	98.1	Very high	95.9	Very high	19 Å²	19	54.6 Å²	54.6	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-55.6	-27.7	178.3	167.8	-95.1	0	0	0	112.9	M317 R318 L344 K345 P417 E421	Y314-M317 HydrophobicContact CD2-CE 3.58Å; Y314-M317 HydrophobicContact CE2-CE 3.84Å; Y314-R318 HydrophobicContact CE2-CG 4.38Å; Y314-R318 WeakPolarHBondContact O-CD 3.24Å; Y314-R318 VanDerWaalsContact O-CG 3.28Å; Y314-R318 WeakPolarHBondContact O-CG 3.17Å; Y314-R318 PolarHBondContact O-N 2.88Å; Y314-R318 WeakPolarHBondContact OH-CD 3.27Å; Y314-L344 HydrophobicContact CD1-CD1 4.11Å; Y314-L344 HydrophobicContact CD1-CD2 3.97Å; Y314-L344 HydrophobicContact CD1-CG 4.44Å; Y314-L344 HydrophobicContact CD2-CB 4.46Å; Y314-L344 HydrophobicContact CD2-CD1 4.41Å; Y314-L344 HydrophobicContact CE1-CB 4.07Å; Y314-L344 HydrophobicContact CE1-CD1 4.42Å; Y314-L344 HydrophobicContact CE1-CD2 3.71Å; Y314-L344 HydrophobicContact CE1-CG 4.28Å; Y314-L344 HydrophobicContact CE2-CB 3.97Å; Y314-L344 HydrophobicContact CG-CD1 4.12Å; Y314-K345 WeakPolarHBondContact CE2-O 3.43Å; Y314-K345 WeakPolarHBondContact OH-CB 3.46Å; Y314-K345 PolarHBondContact OH-N 3.25Å; Y314-P417 HydrophobicContact CD2-CB 3.82Å; Y314-P417 HydrophobicContact CE2-CB 4.33Å; Y314-E421 VanDerWaalsContact CB-CD 3.42Å; Y314-E421 VanDerWaalsContact CB-OE1 3.27Å; Y314-E421 WeakPolarHBondContact CB-OE1 3.48Å; Y314-E421 WeakPolarHBondContact CB-OE2 3.34Å; Y314-E421 PolarHBondContact N-OE1 3.47Å
315	K	97.9	Very high	96.8	Very high	161 Å²	161	50.1 Å²	50.1	70%	0.7	24%	0.238	S	C	*	.	H	α-helix	trans	-67.7	-42.8	171.5	-178.8	-170.3	169.3	-160.2	0	112.2	S313 Q319	S313-K315 PolarHBondContact O-N 3.36Å; K315-Q319 PolarHBondContact O-N 3.17Å
316	E	98.4	Very high	97.4	Very high	65 Å²	65	54.4 Å²	54.4	30%	0.304	26%	0.257	S	S	.	.	H	α-helix	trans	-80.3	-39	-176.4	-67.2	165.6	102.5	0	0	112.3	R310 H312 S313 R318 Q319 L320	R310-E316 IonicContact CZ-OE1 1.75Å; R310-E316 IonicContact NH1-OE1 3.48Å; R310-E316 PolarHBondContact NH1-OE1 2.84Å; R310-E316 IonicContact NH2-OE1 3.95Å; H312-E316 HydrophobicContact CB-CB 4.36Å; S313-E316 VanDerWaalsContact CB-OE2 3.24Å; S313-E316 WeakPolarHBondContact CB-OE2 3.48Å; S313-E316 PolarHBondContact N-OE2 3.37Å; S313-E316 CarbonylContact O-C 3.57Å; S313-E316 WeakPolarHBondContact O-CA 3.44Å; S313-E316 PolarHBondContact O-N 2.99Å; S313-E316 WeakPolarHBondContact OG-CG 3.43Å; S313-E316 PolarHBondContact OG-N 3.11Å; S313-E316 PolarHBondContact OG-OE2 3.05Å; E316-R318 PolarHBondContact O-N 3.36Å; E316-Q319 CarbonylContact O-C 3.59Å; E316-Q319 WeakPolarHBondContact O-CA 3.41Å; E316-Q319 WeakPolarHBondContact O-CB 3.45Å; E316-Q319 PolarHBondContact O-N 3.44Å; E316-L320 PolarHBondContact O-N 3.1Å
317	M	98.3	Very high	97.7	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-47.8	-49	168.3	178.7	-164	77.8	0	0	110.4	H312 S313 Y314 Q319 L320 M321 L383 P413	H312-M317 HydrophobicContact CB-CB 4.21Å; S313-M317 WeakPolarHBondContact O-CB 3.35Å; S313-M317 PolarHBondContact O-N 3.37Å; Y314-M317 HydrophobicContact CD2-CE 3.58Å; Y314-M317 HydrophobicContact CE2-CE 3.84Å; M317-Q319 VanDerWaalsContact C-N 3.32Å; M317-Q319 PolarHBondContact O-N 3Å; M317-L320 PolarHBondContact O-N 3.47Å; M317-M321 HydrophobicContact CE-SD 4.48Å; M317-M321 HydrophobicContact CG-SD 4.36Å; M317-M321 VanDerWaalsContact O-CG 3.26Å; M317-M321 WeakPolarHBondContact O-CG 3.3Å; M317-M321 PolarHBondContact O-N 3.11Å; M317-L383 HydrophobicContact CB-CD1 4.41Å; M317-L383 HydrophobicContact CG-CD1 3.98Å; M317-L383 HydrophobicContact CG-CD2 3.71Å; M317-L383 HydrophobicContact CG-CG 4.44Å; M317-P413 HydrophobicContact CG-CG 4.31Å; M317-P413 HydrophobicContact SD-CB 4.45Å; M317-P413 HydrophobicContact SD-CG 3.99Å
318	R	98.1	Very high	97.9	Very high	101 Å²	101	50.2 Å²	50.2	38%	0.381	23%	0.233	S	C	.	.	H	α-helix	trans	-67.2	-29.1	176.8	-73.7	175.5	59.7	-137.5	-6.9	114.2	Y314 E316 K322 Y347	Y314-R318 HydrophobicContact CE2-CG 4.38Å; Y314-R318 WeakPolarHBondContact O-CD 3.24Å; Y314-R318 VanDerWaalsContact O-CG 3.28Å; Y314-R318 WeakPolarHBondContact O-CG 3.17Å; Y314-R318 PolarHBondContact O-N 2.88Å; Y314-R318 WeakPolarHBondContact OH-CD 3.27Å; E316-R318 PolarHBondContact O-N 3.36Å; R318-K322 WeakPolarHBondContact O-CB 3.26Å; R318-K322 PolarHBondContact O-N 3.12Å; R318-Y347 VanDerWaalsContact CD-CE2 3.46Å; R318-Y347 HydrophobicContact CG-CD2 3.8Å; R318-Y347 HydrophobicContact CG-CE2 3.89Å
319	Q	98.3	Very high	97.9	Very high	103 Å²	103	50.9 Å²	50.9	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-75.8	-41.5	176.3	-178.9	56.7	42.6	0	0	110.7	K315 E316 M317 K322 V323	K315-Q319 PolarHBondContact O-N 3.17Å; E316-Q319 CarbonylContact O-C 3.59Å; E316-Q319 WeakPolarHBondContact O-CA 3.41Å; E316-Q319 WeakPolarHBondContact O-CB 3.45Å; E316-Q319 PolarHBondContact O-N 3.44Å; M317-Q319 VanDerWaalsContact C-N 3.32Å; M317-Q319 PolarHBondContact O-N 3Å; Q319-K322 PolarHBondContact O-N 3.1Å; Q319-V323 WeakPolarHBondContact O-CG2 3.19Å; Q319-V323 PolarHBondContact O-N 3.01Å
320	L	98.4	Very high	98	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.063	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-52.5	173.3	-178.3	164.2	0	0	0	110.7	D308 H312 E316 M317 K322 V323 V324 L383 M386 Q387	D308-L320 HydrophobicContact CB-CD1 4.48Å; H312-L320 WeakPolarHBondContact NE2-CD1 3.36Å; E316-L320 PolarHBondContact O-N 3.1Å; M317-L320 PolarHBondContact O-N 3.47Å; L320-K322 PolarHBondContact O-N 2.87Å; L320-V323 PolarHBondContact O-N 2.85Å; L320-V324 HydrophobicContact CD2-CG2 4.07Å; L320-V324 PolarHBondContact O-N 3.02Å; L320-L383 HydrophobicContact CD1-CB 4.14Å; L320-L383 HydrophobicContact CD1-CD2 4.49Å; L320-L383 HydrophobicContact CD2-CB 4.28Å; L320-L383 HydrophobicContact CD2-CD2 3.88Å; L320-M386 HydrophobicContact CD2-CG 4.13Å; L320-M386 HydrophobicContact CD2-SD 3.87Å; L320-Q387 HydrophobicContact CD2-CG 4Å; L320-Q387 HydrophobicContact CG-CG 4.37Å
321	M	98.5	Very high	98.1	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-52.4	-45.5	174.7	-69.8	176.3	89.4	0	0	111	M317 V324 N325 I334 I349 L383 M386 P413	M317-M321 HydrophobicContact CE-SD 4.48Å; M317-M321 HydrophobicContact CG-SD 4.36Å; M317-M321 VanDerWaalsContact O-CG 3.26Å; M317-M321 WeakPolarHBondContact O-CG 3.3Å; M317-M321 PolarHBondContact O-N 3.11Å; M321-V324 PolarHBondContact O-N 2.87Å; M321-N325 PolarHBondContact O-N 3.45Å; M321-I334 HydrophobicContact CB-CD1 4.02Å; M321-I334 HydrophobicContact CB-CG1 4.44Å; M321-I334 WeakPolarHBondContact O-CD1 3.5Å; M321-I349 HydrophobicContact CE-CB 3.84Å; M321-I349 HydrophobicContact CE-CG2 4.17Å; M321-L383 HydrophobicContact CG-CD2 4.21Å; M321-M386 HydrophobicContact CB-SD 4.42Å; M321-M386 HydrophobicContact CE-CE 4.47Å; M321-M386 HydrophobicContact CG-CE 4.15Å; M321-M386 HydrophobicContact CG-SD 3.67Å; M321-P413 HydrophobicContact CE-CG 4.28Å; M321-P413 HydrophobicContact SD-CG 4.11Å
322	K	98.3	Very high	98.1	Very high	89 Å²	89	52.2 Å²	52.2	39%	0.387	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-42.4	177.3	-178.5	177.2	178.4	-76.2	0	112.4	R318 Q319 L320 N325 E326 I334	R318-K322 WeakPolarHBondContact O-CB 3.26Å; R318-K322 PolarHBondContact O-N 3.12Å; Q319-K322 PolarHBondContact O-N 3.1Å; L320-K322 PolarHBondContact O-N 2.87Å; K322-N325 PolarHBondContact O-N 3.38Å; K322-E326 WeakPolarHBondContact CE-OE1 3.27Å; K322-E326 HydrophobicContact CG-CG 4.47Å; K322-E326 IonicContact NZ-OE1 2.68Å; K322-E326 PolarHBondContact NZ-OE1 2.89Å; K322-E326 IonicContact NZ-OE2 2.56Å; K322-E326 PolarHBondContact NZ-OE2 2.94Å; K322-E326 WeakPolarHBondContact O-CB 3.34Å; K322-E326 WeakPolarHBondContact O-CG 3.32Å; K322-E326 PolarHBondContact O-N 2.65Å; K322-I334 HydrophobicContact CB-CD1 4.49Å
323	V	98.3	Very high	98.1	Very high	59 Å²	59	56.3 Å²	56.3	36%	0.358	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-44.3	176.5	168.5	0	0	0	0	110.6	Q319 L320 N325 E326 M327	Q319-V323 WeakPolarHBondContact O-CG2 3.19Å; Q319-V323 PolarHBondContact O-N 3.01Å; L320-V323 PolarHBondContact O-N 2.85Å; V323-N325 VanDerWaalsContact C-N 3.33Å; V323-N325 PolarHBondContact O-N 3.3Å; V323-E326 CarbonylContact O-C 3.29Å; V323-E326 PolarHBondContact O-N 2.95Å; V323-E326 VanDerWaalsContact O-N 3.08Å; V323-M327 HydrophobicContact CG1-CE 4.13Å; V323-M327 HydrophobicContact CG1-CG 4.39Å; V323-M327 HydrophobicContact CG1-SD 4.25Å; V323-M327 WeakPolarHBondContact O-CG 3.4Å; V323-M327 PolarHBondContact O-N 3.12Å
324	V	98.4	Very high	98.2	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.006	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-44	173.7	174	0	0	0	0	111.3	L320 M321 E326 M327 C328 I349 M386 Q387 C390	L320-V324 HydrophobicContact CD2-CG2 4.07Å; L320-V324 PolarHBondContact O-N 3.02Å; M321-V324 PolarHBondContact O-N 2.87Å; V324-E326 VanDerWaalsContact C-N 3.31Å; V324-E326 PolarHBondContact O-N 3.29Å; V324-M327 HydrophobicContact CG2-CE 4.26Å; V324-M327 PolarHBondContact O-N 3.08Å; V324-C328 PolarHBondContact O-N 3.11Å; V324-I349 HydrophobicContact CB-CD1 4.31Å; V324-I349 HydrophobicContact CG1-CD1 3.84Å; V324-M386 HydrophobicContact CG1-CB 4.43Å; V324-M386 WeakPolarHBondContact CG1-O 3.49Å; V324-M386 HydrophobicContact CG2-CG 4.31Å; V324-Q387 HydrophobicContact CG2-CB 4.46Å; V324-Q387 HydrophobicContact CG2-CG 3.75Å; V324-C390 HydrophobicContact CG1-CB 3.98Å
325	N	98.4	Very high	98.2	Very high	38 Å²	38	58.5 Å²	58.5	20%	0.203	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-29.6	175.8	-156.9	145.6	0	0	0	112.8	M321 K322 V323 P329 T332 I334	M321-N325 PolarHBondContact O-N 3.45Å; K322-N325 PolarHBondContact O-N 3.38Å; V323-N325 VanDerWaalsContact C-N 3.33Å; V323-N325 PolarHBondContact O-N 3.3Å; N325-P329 VanDerWaalsContact O-CA 3.22Å; N325-P329 WeakPolarHBondContact O-CA 3.23Å; N325-P329 WeakPolarHBondContact O-CB 3.26Å; N325-T332 WeakPolarHBondContact CA-OG1 3.38Å; N325-T332 PolarHBondContact ND2-O 3.31Å; N325-T332 PolarHBondContact ND2-OG1 2.96Å; N325-I334 HydrophobicContact CB-CD1 3.76Å; N325-I334 HydrophobicContact CB-CG1 4.11Å; N325-I334 WeakPolarHBondContact OD1-CG1 3.49Å; N325-I334 PolarHBondContact OD1-N 2.67Å
326	E	98.2	Very high	98.2	Very high	120 Å²	120	53.7 Å²	53.7	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-81.2	-22.5	176.1	-74.1	177.4	145.8	0	0	113	K322 V323 V324	K322-E326 WeakPolarHBondContact CE-OE1 3.27Å; K322-E326 HydrophobicContact CG-CG 4.47Å; K322-E326 IonicContact NZ-OE1 2.68Å; K322-E326 PolarHBondContact NZ-OE1 2.89Å; K322-E326 IonicContact NZ-OE2 2.56Å; K322-E326 PolarHBondContact NZ-OE2 2.94Å; K322-E326 WeakPolarHBondContact O-CB 3.34Å; K322-E326 WeakPolarHBondContact O-CG 3.32Å; K322-E326 PolarHBondContact O-N 2.65Å; V323-E326 CarbonylContact O-C 3.29Å; V323-E326 PolarHBondContact O-N 2.95Å; V323-E326 VanDerWaalsContact O-N 3.08Å; V324-E326 VanDerWaalsContact C-N 3.31Å; V324-E326 PolarHBondContact O-N 3.29Å
327	M	97.8	Very high	98.2	Very high	80 Å²	80	52.1 Å²	52.1	39%	0.394	26%	0.255	S	S	.	.	H	α-helix	trans	-82	-40.5	171.4	-68.6	-170.9	-55.4	0	0	112.9	V323 V324 P329	V323-M327 HydrophobicContact CG1-CE 4.13Å; V323-M327 HydrophobicContact CG1-CG 4.39Å; V323-M327 HydrophobicContact CG1-SD 4.25Å; V323-M327 WeakPolarHBondContact O-CG 3.4Å; V323-M327 PolarHBondContact O-N 3.12Å; V324-M327 HydrophobicContact CG2-CE 4.26Å; V324-M327 PolarHBondContact O-N 3.08Å; M327-P329 VanDerWaalsContact O-CD 3.32Å; M327-P329 WeakPolarHBondContact O-CD 3.48Å
328	C	97.9	Very high	98.2	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.034	26%	0.262	C	S	.	.	S	Bend	trans	-118.9	48.4	-176.5	-72.6	0	0	0	0	114.1	V324 N330 I331 T332 C390	V324-C328 PolarHBondContact O-N 3.11Å; C328-N330 PolarHBondContact O-N 3.44Å; C328-N330 VanDerWaalsContact O-N 3.11Å; C328-I331 HydrophobicContact CB-CD1 4.17Å; C328-I331 HydrophobicContact CB-CG1 3.79Å; C328-I331 PolarHBondContact O-N 3.19Å; C328-I331 VanDerWaalsContact O-N 3.1Å; C328-T332 HydrophobicContact CB-CG2 4.13Å; C328-T332 PolarHBondContact O-N 2.85Å; C328-T332 PolarHBondContact O-OG1 3.23Å; C328-C390 HydrophobicContact CB-CB 3.89Å; C328-C390 WeakPolarHBondContact CB-SG 3.24Å; C328-C390 WeakPolarHBondContact SG-CA 3.5Å; C328-C390 WeakPolarHBondContact SG-CB 3.3Å; C328-C390 PolarHBondContact SG-O 3.32Å; C328-C390 VanDerWaalsContact SG-O 3.4Å; C328-C390 CovalentContact SG-SG 2.04Å; C328-C390 PolarHBondContact SG-SG 2.95Å
329	P	97.5	Very high	98.1	Very high	74 Å²	74	53.4 Å²	53.4	48%	0.481	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.1	-169.9	28.3	-37.2	0	0	0	114.7	N325 M327	N325-P329 VanDerWaalsContact O-CA 3.22Å; N325-P329 WeakPolarHBondContact O-CA 3.23Å; N325-P329 WeakPolarHBondContact O-CB 3.26Å; M327-P329 VanDerWaalsContact O-CD 3.32Å; M327-P329 WeakPolarHBondContact O-CD 3.48Å
330	N	96.9	Very high	98	Very high	138 Å²	138	48.6 Å²	48.6	74%	0.738	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-23.8	178	-65.8	1.9	0	0	0	112.8	C328 P355	C328-N330 PolarHBondContact O-N 3.44Å; C328-N330 VanDerWaalsContact O-N 3.11Å; N330-P355 VanDerWaalsContact O-CD 3.32Å; N330-P355 WeakPolarHBondContact O-CD 3.39Å; N330-P355 WeakPolarHBondContact O-CG 3.47Å
331	I	98.1	Very high	97.7	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	9.1	-173.7	66.5	161	0	0	0	113.3	C328 I351 S352 Y393 V404	C328-I331 HydrophobicContact CB-CD1 4.17Å; C328-I331 HydrophobicContact CB-CG1 3.79Å; C328-I331 PolarHBondContact O-N 3.19Å; C328-I331 VanDerWaalsContact O-N 3.1Å; I331-I351 HydrophobicContact CD1-CG2 4.41Å; I331-I351 VanDerWaalsContact O-CA 3.32Å; I331-I351 WeakPolarHBondContact O-CA 3.42Å; I331-S352 CarbonylContact C-O 3.57Å; I331-S352 WeakPolarHBondContact CA-O 3.41Å; I331-S352 WeakPolarHBondContact CB-O 3.35Å; I331-S352 PolarHBondContact O-N 2.77Å; I331-S352 VanDerWaalsContact O-O 3.09Å; I331-Y393 HydrophobicContact CD1-CD1 3.65Å; I331-Y393 HydrophobicContact CD1-CD2 3.84Å; I331-Y393 HydrophobicContact CD1-CE1 4.12Å; I331-Y393 HydrophobicContact CD1-CE2 4.31Å; I331-Y393 HydrophobicContact CD1-CG 3.5Å; I331-Y393 VanDerWaalsContact CD1-CG 3.5Å; I331-Y393 HydrophobicContact CG2-CD1 4.48Å; I331-Y393 HydrophobicContact CG2-CE1 3.83Å; I331-Y393 HydrophobicContact CG2-CE2 4.14Å; I331-V404 HydrophobicContact CB-CG1 4.22Å; I331-V404 HydrophobicContact CD1-CG1 4.32Å; I331-V404 HydrophobicContact CG2-CG1 4.37Å
332	T	98.6	Very high	97.5	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.031	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.9	-177.5	55.6	0	0	0	0	113.4	N325 C328 I349 E350 I351	N325-T332 WeakPolarHBondContact CA-OG1 3.38Å; N325-T332 PolarHBondContact ND2-O 3.31Å; N325-T332 PolarHBondContact ND2-OG1 2.96Å; C328-T332 HydrophobicContact CB-CG2 4.13Å; C328-T332 PolarHBondContact O-N 2.85Å; C328-T332 PolarHBondContact O-OG1 3.23Å; T332-I349 HydrophobicContact CG2-CD1 4.18Å; T332-E350 WeakPolarHBondContact CA-O 3.26Å; T332-I351 HydrophobicContact CG2-CG1 4.3Å; T332-I351 HydrophobicContact CG2-CG2 4.42Å
333	R	98.3	Very high	97.4	Very high	87 Å²	87	53.7 Å²	53.7	33%	0.328	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	118.8	171.6	-174.2	-177.3	75	168.1	-4	112	E350 P355 G356	R333-E350 HydrophobicContact CB-CB 4.15Å; R333-E350 IonicContact CZ-OE1 3.28Å; R333-E350 IonicContact CZ-OE2 3.66Å; R333-E350 PolarHBondContact N-O 3.15Å; R333-E350 IonicContact NE-OE2 3.62Å; R333-E350 PolarHBondContact NE-OE2 2.86Å; R333-E350 IonicContact NH2-OE1 2.68Å; R333-E350 IonicContact NH2-OE2 2.81Å; R333-E350 PolarHBondContact NH2-OE2 2.9Å; R333-E350 WeakPolarHBondContact O-CB 3.48Å; R333-E350 PolarHBondContact O-N 2.85Å; R333-P355 HydrophobicContact CB-CB 4.14Å; R333-G356 VanDerWaalsContact NH1-CA 3.29Å; R333-G356 PolarHBondContact NH1-O 3.27Å; R333-G356 PolarHBondContact NH2-O 3.18Å
334	I	98.4	Very high	97.4	Very high	47 Å²	47	52.9 Å²	52.9	24%	0.241	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.8	168.4	-60.7	162	0	0	0	110.4	M321 K322 N325 Y347 V348 I349	M321-I334 HydrophobicContact CB-CD1 4.02Å; M321-I334 HydrophobicContact CB-CG1 4.44Å; M321-I334 WeakPolarHBondContact O-CD1 3.5Å; K322-I334 HydrophobicContact CB-CD1 4.49Å; N325-I334 HydrophobicContact CB-CD1 3.76Å; N325-I334 HydrophobicContact CB-CG1 4.11Å; N325-I334 WeakPolarHBondContact OD1-CG1 3.49Å; N325-I334 PolarHBondContact OD1-N 2.67Å; I334-Y347 HydrophobicContact CG2-CD1 3.48Å; I334-Y347 VanDerWaalsContact CG2-CD1 3.48Å; I334-Y347 HydrophobicContact CG2-CE1 3.95Å; I334-Y347 HydrophobicContact CG2-CG 4.47Å; I334-V348 WeakPolarHBondContact CA-O 3.24Å; I334-I349 HydrophobicContact CG1-CD1 4.38Å; I334-I349 HydrophobicContact CG1-CG1 4.29Å
335	Y	98.4	Very high	97.4	Very high	34 Å²	34	56.9 Å²	56.9	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	-177.8	167.6	69.2	-88	0	0	0	112	I337 Y347 V348 E350 H410 W497	Y335-I337 HydrophobicContact CD2-CG2 4.15Å; Y335-I337 HydrophobicContact CE2-CG2 3.62Å; Y335-Y347 WeakPolarHBondContact O-CA 3.45Å; Y335-Y347 WeakPolarHBondContact O-CD1 3.37Å; Y335-V348 HydrophobicContact CD1-CB 4.25Å; Y335-V348 HydrophobicContact CD1-CG1 4.46Å; Y335-V348 HydrophobicContact CD2-CB 4.33Å; Y335-V348 HydrophobicContact CE1-CB 3.9Å; Y335-V348 HydrophobicContact CE1-CG1 3.71Å; Y335-V348 HydrophobicContact CE2-CB 3.99Å; Y335-V348 HydrophobicContact CE2-CG1 4.37Å; Y335-V348 HydrophobicContact CE2-CG2 4.1Å; Y335-V348 HydrophobicContact CG-CB 4.47Å; Y335-V348 PolarHBondContact N-O 2.91Å; Y335-V348 PolarHBondContact O-N 3.49Å; Y335-E350 HydrophobicContact CD1-CB 4.32Å; Y335-E350 HydrophobicContact CE1-CB 4.04Å; Y335-E350 WeakPolarHBondContact CE1-OE2 3.39Å; Y335-H410 AromaticContact CE1-CE1 3.94Å; Y335-H410 AromaticContact CE1-ND1 3.5Å; Y335-H410 AromaticContact CZ-ND1 3.55Å; Y335-H410 PolarHBondContact OH-ND1 3.09Å; Y335-W497 AromaticContact CE2-NE1 3.98Å; Y335-W497 AromaticContact CZ-NE1 3.85Å; Y335-W497 PolarHBondContact OH-NE1 2.9Å
336	N	98.3	Very high	97.4	Very high	59 Å²	59	55.1 Å²	55.1	32%	0.316	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.2	-175.5	172.7	93.8	0	0	0	110.8	G338 K345 L346 Y347	N336-G338 PolarHBondContact ND2-N 2.79Å; N336-G338 PolarHBondContact ND2-O 3.15Å; N336-G338 PolarHBondContact OD1-O 2.99Å; N336-K345 WeakPolarHBondContact OD1-CA 3.46Å; N336-K345 WeakPolarHBondContact OD1-CB 3.46Å; N336-K345 WeakPolarHBondContact OD1-CG 3.17Å; N336-L346 WeakPolarHBondContact CA-O 3.48Å; N336-L346 PolarHBondContact OD1-N 2.76Å; N336-L346 PolarHBondContact OD1-O 3.29Å; N336-Y347 HydrophobicContact CB-CD1 4.49Å
337	I	98.3	Very high	97.4	Very high	32 Å²	32	51.2 Å²	51.2	16%	0.164	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-27	-178.2	60	166.9	0	0	0	113.9	Y335 L346 V348 L412 A493 L494 W497	Y335-I337 HydrophobicContact CD2-CG2 4.15Å; Y335-I337 HydrophobicContact CE2-CG2 3.62Å; I337-L346 HydrophobicContact CD1-CB 4.21Å; I337-L346 HydrophobicContact CD1-CD2 4.21Å; I337-L346 HydrophobicContact CG1-CB 3.63Å; I337-L346 HydrophobicContact CG1-CD2 4.36Å; I337-L346 PolarHBondContact N-O 3.24Å; I337-V348 HydrophobicContact CG1-CG2 4.46Å; I337-V348 HydrophobicContact CG2-CG2 3.75Å; I337-L412 HydrophobicContact CD1-CD2 3.68Å; I337-A493 HydrophobicContact CG1-CB 4.48Å; I337-L494 HydrophobicContact CD1-CD2 3.97Å; I337-W497 HydrophobicContact CB-CB 4.2Å; I337-W497 HydrophobicContact CB-CG 4.33Å; I337-W497 HydrophobicContact CD1-CB 4.33Å; I337-W497 HydrophobicContact CD1-CD2 4.15Å; I337-W497 HydrophobicContact CD1-CE3 3.9Å; I337-W497 HydrophobicContact CD1-CG 4.38Å; I337-W497 HydrophobicContact CG2-CB 3.93Å; I337-W497 HydrophobicContact CG2-CD2 3.96Å; I337-W497 HydrophobicContact CG2-CG 3.56Å
338	G	97.7	Very high	97.4	Very high	16 Å²	16	47.4 Å²	47.4	17%	0.165	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	-149.6	-176.2	0	0	0	0	0	113.4	N336	N336-G338 PolarHBondContact ND2-N 2.79Å; N336-G338 PolarHBondContact ND2-O 3.15Å; N336-G338 PolarHBondContact OD1-O 2.99Å
339	K	97.1	Very high	97.5	Very high	116 Å²	116	47.1 Å²	47.1	50%	0.504	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.8	168.9	-70.2	-176.9	-176.7	179.9	0	110.4	L344 K345 L489	K339-L344 CarbonylContact C-O 3.59Å; K339-L344 WeakPolarHBondContact CA-O 3.46Å; K339-L344 WeakPolarHBondContact CB-O 3.32Å; K339-K345 HydrophobicContact CG-CG 4.37Å; K339-L489 WeakPolarHBondContact O-CB 3.28Å
340	S	96.2	Very high	97.5	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.014	22%	0.222	C	C	.	.			trans	-72.9	172.6	164.8	68.3	0	0	0	0	112	N342 G343 L344 D418 E490	S340-N342 PolarHBondContact O-N 2.99Å; S340-G343 WeakPolarHBondContact O-CA 3.21Å; S340-G343 PolarHBondContact O-N 2.84Å; S340-L344 PolarHBondContact N-O 3.11Å; S340-L344 VanDerWaalsContact OG-CB 3.31Å; S340-L344 WeakPolarHBondContact OG-CB 3.35Å; S340-L344 PolarHBondContact OG-N 2.69Å; S340-L344 VanDerWaalsContact OG-N 3.07Å; S340-L344 PolarHBondContact OG-O 2.83Å; S340-D418 VanDerWaalsContact CB-CG 3.49Å; S340-D418 WeakPolarHBondContact CB-OD1 3.23Å; S340-D418 VanDerWaalsContact OG-CG 3.26Å; S340-D418 PolarHBondContact OG-OD1 3.33Å; S340-D418 PolarHBondContact OG-OD2 3.17Å; S340-E490 WeakPolarHBondContact CA-OE1 3.31Å; S340-E490 WeakPolarHBondContact CB-OE1 3Å
341	Q	91.6	Very high	97.6	Very high	70 Å²	70	37.1 Å²	37.1	33%	0.327	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-41.8	176.5	-171.4	179.1	10.2	0	0	113.8	G343 D418 N440 D441 E490	Q341-G343 PolarHBondContact O-N 2.76Å; Q341-D418 PolarHBondContact N-OD2 2.85Å; Q341-N440 PolarHBondContact OE1-ND2 3.31Å; Q341-D441 PolarHBondContact NE2-OD1 3.42Å; Q341-D441 PolarHBondContact NE2-OD2 3.08Å; Q341-D441 VanDerWaalsContact NE2-OD2 3.12Å; Q341-E490 PolarHBondContact N-OE1 3.18Å; Q341-E490 VanDerWaalsContact N-OE1 3.15Å
342	N	95.2	Very high	97.6	Very high	104 Å²	104	36.9 Å²	36.9	56%	0.556	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.4	4	173.5	-63.3	-33.2	0	0	0	113	S340 D418 N440	S340-N342 PolarHBondContact O-N 2.99Å; N342-D418 VanDerWaalsContact CB-OD2 3.27Å; N342-D418 WeakPolarHBondContact CB-OD2 3.43Å; N342-D418 PolarHBondContact N-OD2 2.88Å; N342-D418 VanDerWaalsContact ND2-CG 3.3Å; N342-D418 PolarHBondContact ND2-OD2 3.2Å; N342-D418 VanDerWaalsContact ND2-OD2 3.1Å; N342-N440 PolarHBondContact ND2-OD1 2.73Å
343	G	96	Very high	97.5	Very high	36 Å²	36	40.3 Å²	40.3	37%	0.371	20%	0.204	S	C	.	.			trans	81.9	9.7	175.3	0	0	0	0	0	114.9	S340 Q341	S340-G343 WeakPolarHBondContact O-CA 3.21Å; S340-G343 PolarHBondContact O-N 2.84Å; Q341-G343 PolarHBondContact O-N 2.76Å
344	L	97.4	Very high	97.5	Very high	41 Å²	41	38.7 Å²	38.7	22%	0.215	20%	0.201	C	C	.	.			trans	-64.3	150.1	169.1	-50.4	-175.1	0	0	0	108.8	Y314 K339 S340 P417 D418 E421	Y314-L344 HydrophobicContact CD1-CD1 4.11Å; Y314-L344 HydrophobicContact CD1-CD2 3.97Å; Y314-L344 HydrophobicContact CD1-CG 4.44Å; Y314-L344 HydrophobicContact CD2-CB 4.46Å; Y314-L344 HydrophobicContact CD2-CD1 4.41Å; Y314-L344 HydrophobicContact CE1-CB 4.07Å; Y314-L344 HydrophobicContact CE1-CD1 4.42Å; Y314-L344 HydrophobicContact CE1-CD2 3.71Å; Y314-L344 HydrophobicContact CE1-CG 4.28Å; Y314-L344 HydrophobicContact CE2-CB 3.97Å; Y314-L344 HydrophobicContact CG-CD1 4.12Å; K339-L344 CarbonylContact C-O 3.59Å; K339-L344 WeakPolarHBondContact CA-O 3.46Å; K339-L344 WeakPolarHBondContact CB-O 3.32Å; S340-L344 PolarHBondContact N-O 3.11Å; S340-L344 VanDerWaalsContact OG-CB 3.31Å; S340-L344 WeakPolarHBondContact OG-CB 3.35Å; S340-L344 PolarHBondContact OG-N 2.69Å; S340-L344 VanDerWaalsContact OG-N 3.07Å; S340-L344 PolarHBondContact OG-O 2.83Å; L344-P417 HydrophobicContact CB-CB 4.28Å; L344-P417 HydrophobicContact CB-CG 3.87Å; L344-P417 HydrophobicContact CD1-CB 3.89Å; L344-P417 HydrophobicContact CD1-CG 4.21Å; L344-D418 WeakPolarHBondContact CD1-OD1 3.37Å; L344-E421 HydrophobicContact CD1-CG 4.34Å
345	K	98.3	Very high	97.4	Very high	86 Å²	86	37.8 Å²	37.8	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.7	-170.9	-89.5	-174.6	177.1	-175.1	0	109.8	Y314 N336 K339 Y347	Y314-K345 WeakPolarHBondContact CE2-O 3.43Å; Y314-K345 WeakPolarHBondContact OH-CB 3.46Å; Y314-K345 PolarHBondContact OH-N 3.25Å; N336-K345 WeakPolarHBondContact OD1-CA 3.46Å; N336-K345 WeakPolarHBondContact OD1-CB 3.46Å; N336-K345 WeakPolarHBondContact OD1-CG 3.17Å; K339-K345 HydrophobicContact CG-CG 4.37Å; K345-Y347 HydrophobicContact CB-CD2 3.62Å; K345-Y347 HydrophobicContact CB-CE2 3.32Å; K345-Y347 HydrophobicContact CB-CG 4.47Å; K345-Y347 HydrophobicContact CD-CE1 4.37Å; K345-Y347 HydrophobicContact CD-CE2 3.79Å; K345-Y347 WeakPolarHBondContact CD-OH 3.39Å; K345-Y347 HydrophobicContact CG-CE2 4.22Å; K345-Y347 VanDerWaalsContact O-CD2 3.31Å; K345-Y347 WeakPolarHBondContact O-CD2 3.41Å; K345-Y347 PolarHBondContact O-N 3.31Å
346	L	98.5	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	93.1	173.3	-81.2	66.7	0	0	0	107.6	N336 I337 L412 P417 E490 A493	N336-L346 WeakPolarHBondContact CA-O 3.48Å; N336-L346 PolarHBondContact OD1-N 2.76Å; N336-L346 PolarHBondContact OD1-O 3.29Å; I337-L346 HydrophobicContact CD1-CB 4.21Å; I337-L346 HydrophobicContact CD1-CD2 4.21Å; I337-L346 HydrophobicContact CG1-CB 3.63Å; I337-L346 HydrophobicContact CG1-CD2 4.36Å; I337-L346 PolarHBondContact N-O 3.24Å; L346-L412 HydrophobicContact CB-CD1 4.4Å; L346-P417 HydrophobicContact CD1-CG 4.45Å; L346-E490 HydrophobicContact CD1-CG 4.47Å; L346-E490 HydrophobicContact CD2-CB 4.29Å; L346-E490 HydrophobicContact CD2-CG 4.46Å; L346-A493 HydrophobicContact CD2-CB 4.43Å
347	Y	98.6	Very high	97	Very high	38 Å²	38	41 Å²	41	15%	0.149	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.6	-177.9	-81.6	-76.7	0	0	0	111.4	R318 I334 Y335 N336 K345 L412	R318-Y347 VanDerWaalsContact CD-CE2 3.46Å; R318-Y347 HydrophobicContact CG-CD2 3.8Å; R318-Y347 HydrophobicContact CG-CE2 3.89Å; I334-Y347 HydrophobicContact CG2-CD1 3.48Å; I334-Y347 VanDerWaalsContact CG2-CD1 3.48Å; I334-Y347 HydrophobicContact CG2-CE1 3.95Å; I334-Y347 HydrophobicContact CG2-CG 4.47Å; Y335-Y347 WeakPolarHBondContact O-CA 3.45Å; Y335-Y347 WeakPolarHBondContact O-CD1 3.37Å; N336-Y347 HydrophobicContact CB-CD1 4.49Å; K345-Y347 HydrophobicContact CB-CD2 3.62Å; K345-Y347 HydrophobicContact CB-CE2 3.32Å; K345-Y347 HydrophobicContact CB-CG 4.47Å; K345-Y347 HydrophobicContact CD-CE1 4.37Å; K345-Y347 HydrophobicContact CD-CE2 3.79Å; K345-Y347 WeakPolarHBondContact CD-OH 3.39Å; K345-Y347 HydrophobicContact CG-CE2 4.22Å; K345-Y347 VanDerWaalsContact O-CD2 3.31Å; K345-Y347 WeakPolarHBondContact O-CD2 3.41Å; K345-Y347 PolarHBondContact O-N 3.31Å; Y347-L412 WeakPolarHBondContact O-CD1 3Å
348	V	98.8	Very high	96.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139	171.9	-177.2	0	0	0	0	107.7	I334 Y335 I337 H410 L411 L412 W497	I334-V348 WeakPolarHBondContact CA-O 3.24Å; Y335-V348 HydrophobicContact CD1-CB 4.25Å; Y335-V348 HydrophobicContact CD1-CG1 4.46Å; Y335-V348 HydrophobicContact CD2-CB 4.33Å; Y335-V348 HydrophobicContact CE1-CB 3.9Å; Y335-V348 HydrophobicContact CE1-CG1 3.71Å; Y335-V348 HydrophobicContact CE2-CB 3.99Å; Y335-V348 HydrophobicContact CE2-CG1 4.37Å; Y335-V348 HydrophobicContact CE2-CG2 4.1Å; Y335-V348 HydrophobicContact CG-CB 4.47Å; Y335-V348 PolarHBondContact N-O 2.91Å; Y335-V348 PolarHBondContact O-N 3.49Å; I337-V348 HydrophobicContact CG1-CG2 4.46Å; I337-V348 HydrophobicContact CG2-CG2 3.75Å; V348-H410 HydrophobicContact CG1-CB 3.86Å; V348-L411 WeakPolarHBondContact CA-O 3.37Å; V348-L412 HydrophobicContact CG2-CB 4.2Å; V348-L412 HydrophobicContact CG2-CD1 4.08Å; V348-W497 HydrophobicContact CG1-CZ2 4.21Å; V348-W497 HydrophobicContact CG2-CZ2 4.17Å
349	I	98.6	Very high	96.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.7	161	-169.2	166	0	0	0	109.2	M321 V324 T332 I334 M386 L411	M321-I349 HydrophobicContact CE-CB 3.84Å; M321-I349 HydrophobicContact CE-CG2 4.17Å; V324-I349 HydrophobicContact CB-CD1 4.31Å; V324-I349 HydrophobicContact CG1-CD1 3.84Å; T332-I349 HydrophobicContact CG2-CD1 4.18Å; I334-I349 HydrophobicContact CG1-CD1 4.38Å; I334-I349 HydrophobicContact CG1-CG1 4.29Å; I349-M386 HydrophobicContact CD1-SD 4.42Å; I349-M386 HydrophobicContact CG2-CB 4.12Å; I349-M386 HydrophobicContact CG2-CE 3.5Å; I349-M386 HydrophobicContact CG2-SD 3.82Å; I349-L411 HydrophobicContact CG2-CB 3.89Å; I349-L411 HydrophobicContact CG2-CD1 4.39Å; I349-L411 HydrophobicContact CG2-CG 4.48Å; I349-L411 PolarHBondContact N-O 3.31Å; I349-L411 PolarHBondContact O-N 3.15Å
350	E	98.6	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	138.9	173.2	-168	171.9	160.5	0	0	108.8	T332 R333 Y335 G356 R408 I409 H410	T332-E350 WeakPolarHBondContact CA-O 3.26Å; R333-E350 HydrophobicContact CB-CB 4.15Å; R333-E350 IonicContact CZ-OE1 3.28Å; R333-E350 IonicContact CZ-OE2 3.66Å; R333-E350 PolarHBondContact N-O 3.15Å; R333-E350 IonicContact NE-OE2 3.62Å; R333-E350 PolarHBondContact NE-OE2 2.86Å; R333-E350 IonicContact NH2-OE1 2.68Å; R333-E350 IonicContact NH2-OE2 2.81Å; R333-E350 PolarHBondContact NH2-OE2 2.9Å; R333-E350 WeakPolarHBondContact O-CB 3.48Å; R333-E350 PolarHBondContact O-N 2.85Å; Y335-E350 HydrophobicContact CD1-CB 4.32Å; Y335-E350 HydrophobicContact CE1-CB 4.04Å; Y335-E350 WeakPolarHBondContact CE1-OE2 3.39Å; E350-G356 VanDerWaalsContact OE1-CA 3.26Å; E350-G356 WeakPolarHBondContact OE1-CA 3.42Å; E350-G356 PolarHBondContact OE1-N 2.79Å; E350-G356 VanDerWaalsContact OE1-N 3.09Å; E350-R408 IonicContact OE1-CZ 2.73Å; E350-R408 IonicContact OE1-NE 3.09Å; E350-R408 PolarHBondContact OE1-NE 2.85Å; E350-R408 IonicContact OE1-NH2 3.9Å; E350-R408 PolarHBondContact OE1-NH2 3.21Å; E350-I409 CarbonylContact C-O 3.6Å; E350-I409 WeakPolarHBondContact CA-O 3.45Å; E350-H410 VanDerWaalsContact CG-CE1 3.5Å; E350-H410 WeakPolarHBondContact CG-CE1 3.45Å; E350-H410 IonicContact OE1-CE1 2.97Å; E350-H410 IonicContact OE2-CE1 3.88Å
351	I	98.7	Very high	96.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	120.4	174.7	-40.8	-175.8	0	0	0	108.6	I331 T332 M386 M389 V404 I409 L411	I331-I351 HydrophobicContact CD1-CG2 4.41Å; I331-I351 VanDerWaalsContact O-CA 3.32Å; I331-I351 WeakPolarHBondContact O-CA 3.42Å; T332-I351 HydrophobicContact CG2-CG1 4.3Å; T332-I351 HydrophobicContact CG2-CG2 4.42Å; I351-M386 HydrophobicContact CD1-CB 4.46Å; I351-M389 HydrophobicContact CD1-CB 4.31Å; I351-M389 HydrophobicContact CD1-SD 4.12Å; I351-M389 HydrophobicContact CG2-CE 4.43Å; I351-V404 HydrophobicContact CG2-CG1 4.34Å; I351-V404 HydrophobicContact CG2-CG2 3.86Å; I351-I409 HydrophobicContact CB-CB 4.36Å; I351-I409 PolarHBondContact N-O 2.86Å; I351-I409 PolarHBondContact O-N 3.45Å; I351-L411 HydrophobicContact CD1-CD1 3.92Å
352	S	98.4	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-170.2	159.2	179.8	165.1	0	0	0	0	106.8	I331 N354 P355 E362 V404	I331-S352 CarbonylContact C-O 3.57Å; I331-S352 WeakPolarHBondContact CA-O 3.41Å; I331-S352 WeakPolarHBondContact CB-O 3.35Å; I331-S352 PolarHBondContact O-N 2.77Å; I331-S352 VanDerWaalsContact O-O 3.09Å; S352-N354 PolarHBondContact O-N 3.34Å; S352-N354 PolarHBondContact OG-N 3.43Å; S352-P355 WeakPolarHBondContact O-CD 3.18Å; S352-E362 PolarHBondContact OG-OE1 2.87Å; S352-V404 WeakPolarHBondContact CA-O 3.43Å
353	D	97.1	Very high	97	Very high	76 Å²	76	36.1 Å²	36.1	41%	0.406	20%	0.198	S	C	.	.	S	Bend	trans	-72.4	-16.9	174	77.1	-48.1	0	0	0	113.5	P355 V404 E405	D353-P355 VanDerWaalsContact C-CD 3.47Å; D353-P355 WeakPolarHBondContact O-CD 3.33Å; D353-V404 PolarHBondContact N-O 3.09Å; D353-V404 VanDerWaalsContact N-O 3.13Å; D353-E405 HydrophobicContact CB-CG 4.36Å
354	N	97.2	Very high	97.1	Very high	53 Å²	53	34.4 Å²	34.4	28%	0.283	18%	0.18	S	C	.	.	S	Bend	trans	-120.2	67.9	170.8	-170.5	6.9	0	0	0	112.5	S352 G356 E359	S352-N354 PolarHBondContact O-N 3.34Å; S352-N354 PolarHBondContact OG-N 3.43Å; N354-G356 PolarHBondContact O-N 3.45Å; N354-E359 WeakPolarHBondContact CB-OE2 3.38Å; N354-E359 PolarHBondContact ND2-OE2 2.91Å
355	P	97.2	Very high	97.2	Very high	29 Å²	29	32.4 Å²	32.4	19%	0.188	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	85.8	-166.4	32.7	-38.6	0	0	0	112.9	N330 R333 S352 D353	N330-P355 VanDerWaalsContact O-CD 3.32Å; N330-P355 WeakPolarHBondContact O-CD 3.39Å; N330-P355 WeakPolarHBondContact O-CG 3.47Å; R333-P355 HydrophobicContact CB-CB 4.14Å; S352-P355 WeakPolarHBondContact O-CD 3.18Å; D353-P355 VanDerWaalsContact C-CD 3.47Å; D353-P355 WeakPolarHBondContact O-CD 3.33Å
356	G	95	Very high	97.2	Very high	21 Å²	21	28.3 Å²	28.3	22%	0.216	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	162.8	-21.9	161.7	0	0	0	0	0	115.3	R333 E350 N354 R408	R333-G356 VanDerWaalsContact NH1-CA 3.29Å; R333-G356 PolarHBondContact NH1-O 3.27Å; R333-G356 PolarHBondContact NH2-O 3.18Å; E350-G356 VanDerWaalsContact OE1-CA 3.26Å; E350-G356 WeakPolarHBondContact OE1-CA 3.42Å; E350-G356 PolarHBondContact OE1-N 2.79Å; E350-G356 VanDerWaalsContact OE1-N 3.09Å; N354-G356 PolarHBondContact O-N 3.45Å; G356-R408 PolarHBondContact O-NH2 3.21Å; G356-R408 VanDerWaalsContact O-NH2 3.09Å
357	E	92.1	Very high	97.2	Very high	139 Å²	139	28.3 Å²	28.3	65%	0.65	15%	0.152	S	C	*	.	S	Bend	trans	-102.5	180	176.3	-54.5	-164.1	160.2	0	0	109.5	R408	E357-R408 WeakPolarHBondContact O-CD 3.31Å; E357-R408 PolarHBondContact O-NE 3.09Å; E357-R408 VanDerWaalsContact O-NE 3.12Å; E357-R408 PolarHBondContact O-NH1 2.91Å; E357-R408 VanDerWaalsContact O-NH1 3.12Å; E357-R408 PolarHBondContact O-NH2 3.05Å
358	H	94.9	Very high	97.3	Very high	46 Å²	46	26.5 Å²	26.5	21%	0.213	15%	0.145	C	C	.	.			trans	-124.9	126.7	-179.5	169.2	69.8	0	0	0	108.3	E364 D670 W672	H358-E364 IonicContact CE1-OE1 2.7Å; H358-E364 IonicContact CG-OE1 3.49Å; H358-E364 IonicContact ND1-OE1 2.63Å; H358-E364 PolarHBondContact ND1-OE1 2.94Å; H358-D670 IonicContact NE2-OD2 3.2Å; H358-W672 AromaticContact CE1-CH2 3.64Å; H358-W672 AromaticContact NE2-CH2 3.75Å
359	E	96.6	Very high	97.2	Very high	89 Å²	89	26.5 Å²	26.5	42%	0.416	15%	0.145	S	C	.	.			trans	-99.4	137.7	-175.8	-63.2	-131.4	29.7	0	0	112.8	N354 G361 E362	N354-E359 WeakPolarHBondContact CB-OE2 3.38Å; N354-E359 PolarHBondContact ND2-OE2 2.91Å; E359-G361 PolarHBondContact O-N 3.44Å; E359-E362 HydrophobicContact CB-CB 3.88Å; E359-E362 PolarHBondContact N-OE2 3.22Å; E359-E362 VanDerWaalsContact O-CB 3.32Å; E359-E362 WeakPolarHBondContact O-CB 3.27Å; E359-E362 PolarHBondContact O-N 2.87Å
360	V	95.8	Very high	97.2	Very high	73 Å²	73	26.7 Å²	26.7	44%	0.442	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	101.8	-167.6	-175.5	0	0	0	0	111.2	V640 D668 D670	V360-V640 HydrophobicContact CG1-CG2 4.02Å; V360-D668 HydrophobicContact CG1-CB 4.44Å; V360-D668 HydrophobicContact CG2-CB 3.76Å; V360-D670 WeakPolarHBondContact CA-OD2 3.24Å; V360-D670 HydrophobicContact CG1-CB 3.84Å
361	G	94.4	Very high	97.1	Very high	16 Å²	16	26.8 Å²	26.8	17%	0.165	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.9	-0.1	-172.8	0	0	0	0	0	115.7	E359 P363 K638 D670 W672	E359-G361 PolarHBondContact O-N 3.44Å; G361-P363 VanDerWaalsContact O-CD 3.3Å; G361-P363 WeakPolarHBondContact O-CD 3.39Å; G361-K638 VanDerWaalsContact O-CD 3.32Å; G361-K638 WeakPolarHBondContact O-CD 3.44Å; G361-K638 WeakPolarHBondContact O-CE 3.34Å; G361-K638 PolarHBondContact O-NZ 2.93Å; G361-D670 PolarHBondContact N-OD2 2.86Å; G361-W672 PolarHBondContact O-NE1 3.32Å
362	E	97.4	Very high	97.1	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.061	15%	0.148	C	C	.	.			trans	-79.2	111.6	166.2	-173.1	-161.4	-162.9	0	0	108.8	S352 E359 R408 W672	S352-E362 PolarHBondContact OG-OE1 2.87Å; E359-E362 HydrophobicContact CB-CB 3.88Å; E359-E362 PolarHBondContact N-OE2 3.22Å; E359-E362 VanDerWaalsContact O-CB 3.32Å; E359-E362 WeakPolarHBondContact O-CB 3.27Å; E359-E362 PolarHBondContact O-N 2.87Å; E362-R408 HydrophobicContact CG-CB 4.31Å; E362-R408 WeakPolarHBondContact OE1-CB 3.41Å; E362-R408 PolarHBondContact OE1-N 3.42Å; E362-W672 WeakPolarHBondContact O-CZ2 3.48Å
363	P	98.1	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.			trans	-66.8	136.7	176.3	24.4	-33	0	0	0	112.7	G361 E406 T407 R408 V504 V633 H634 W672	G361-P363 VanDerWaalsContact O-CD 3.3Å; G361-P363 WeakPolarHBondContact O-CD 3.39Å; P363-E406 WeakPolarHBondContact CD-O 3.48Å; P363-T407 HydrophobicContact CG-CG2 4.41Å; P363-R408 PolarHBondContact O-N 2.76Å; P363-R408 VanDerWaalsContact O-N 3.08Å; P363-V504 HydrophobicContact CB-CB 4.4Å; P363-V504 HydrophobicContact CB-CG2 3.99Å; P363-V633 HydrophobicContact CB-CG1 4.24Å; P363-V633 HydrophobicContact CB-CG2 3.68Å; P363-V633 HydrophobicContact CG-CG1 3.89Å; P363-V633 HydrophobicContact CG-CG2 4.25Å; P363-H634 WeakPolarHBondContact CG-CE1 3.36Å; P363-W672 HydrophobicContact CB-CD2 4.5Å; P363-W672 HydrophobicContact CB-CG 4.27Å
364	E	98.5	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.4	168.1	-56	-81.8	173.1	0	0	110.1	H358 R408 H410 P502 F503 V504	H358-E364 IonicContact CE1-OE1 2.7Å; H358-E364 IonicContact CG-OE1 3.49Å; H358-E364 IonicContact ND1-OE1 2.63Å; H358-E364 PolarHBondContact ND1-OE1 2.94Å; E364-R408 WeakPolarHBondContact CA-O 3.38Å; E364-R408 WeakPolarHBondContact OE1-CD 3.41Å; E364-R408 IonicContact OE1-CZ 2.83Å; E364-R408 IonicContact OE1-NE 3.73Å; E364-R408 IonicContact OE1-NH1 2.9Å; E364-R408 PolarHBondContact OE1-NH1 3.37Å; E364-R408 WeakPolarHBondContact OE2-CD 3.31Å; E364-R408 WeakPolarHBondContact OE2-CG 3.43Å; E364-R408 IonicContact OE2-CZ 3.85Å; E364-R408 IonicContact OE2-NE 3.59Å; E364-R408 IonicContact OE2-NH1 2.72Å; E364-R408 PolarHBondContact OE2-NH1 2.84Å; E364-H410 IonicContact OE1-NE2 3.45Å; E364-H410 IonicContact OE2-CD2 3.52Å; E364-H410 IonicContact OE2-CE1 2.79Å; E364-H410 CovalentContact OE2-NE2 1.75Å; E364-H410 IonicContact OE2-NE2 2.66Å; E364-H410 PolarHBondContact OE2-NE2 3.12Å; E364-P502 HydrophobicContact CG-CG 3.77Å; E364-F503 HydrophobicContact CB-CD1 3.78Å; E364-F503 HydrophobicContact CB-CE1 4.27Å; E364-V504 PolarHBondContact O-N 2.72Å
365	F	98.8	Very high	97	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.7	174.9	176.1	-84.6	0	0	0	111	Y367 T407 R408 I409 H410 L505 F629 M630 V633	F365-Y367 HydrophobicContact CE1-CD1 4.46Å; F365-Y367 AromaticContact CE1-CD2 3.49Å; F365-Y367 HydrophobicContact CE1-CD2 3.49Å; F365-Y367 VanDerWaalsContact CE1-CD2 3.49Å; F365-Y367 AromaticContact CE1-CE2 3.8Å; F365-Y367 HydrophobicContact CE1-CE2 3.8Å; F365-Y367 AromaticContact CE1-CG 3.84Å; F365-Y367 HydrophobicContact CE1-CG 3.84Å; F365-Y367 HydrophobicContact CZ-CD1 4.2Å; F365-Y367 AromaticContact CZ-CD2 3.78Å; F365-Y367 HydrophobicContact CZ-CD2 3.78Å; F365-Y367 HydrophobicContact CZ-CE1 4.11Å; F365-Y367 AromaticContact CZ-CE2 3.68Å; F365-Y367 HydrophobicContact CZ-CE2 3.68Å; F365-Y367 HydrophobicContact CZ-CG 4.02Å; F365-Y367 AromaticContact CZ-CZ 3.84Å; F365-T407 HydrophobicContact CB-CG2 3.92Å; F365-R408 PolarHBondContact N-O 3.21Å; F365-I409 HydrophobicContact CB-CG1 4.35Å; F365-I409 HydrophobicContact CD1-CG1 4.39Å; F365-I409 HydrophobicContact CD1-CG2 4.26Å; F365-H410 PolarHBondContact O-CD2 2.96Å; F365-H410 PolarHBondContact O-N 3.26Å; F365-L505 WeakPolarHBondContact CA-O 3.46Å; F365-L505 HydrophobicContact CD2-CB 4.06Å; F365-L505 HydrophobicContact CD2-CD2 4.18Å; F365-L505 HydrophobicContact CD2-CG 4.16Å; F365-L505 WeakPolarHBondContact CD2-O 3.23Å; F365-L505 HydrophobicContact CE2-CB 4.36Å; F365-L505 HydrophobicContact CE2-CD2 3.99Å; F365-L505 HydrophobicContact CE2-CG 3.97Å; F365-F629 AromaticContact CE2-CD1 3.76Å; F365-F629 HydrophobicContact CE2-CD1 3.76Å; F365-F629 AromaticContact CE2-CE1 3.7Å; F365-F629 HydrophobicContact CE2-CE1 3.7Å; F365-F629 AromaticContact CZ-CD1 3.89Å; F365-F629 HydrophobicContact CZ-CD1 3.89Å; F365-F629 AromaticContact CZ-CE1 3.97Å; F365-F629 HydrophobicContact CZ-CE1 3.97Å; F365-M630 HydrophobicContact CD1-CG 3.75Å; F365-M630 HydrophobicContact CD1-SD 4.11Å; F365-M630 HydrophobicContact CD2-CG 4.31Å; F365-M630 HydrophobicContact CE1-CG 3.39Å; F365-M630 HydrophobicContact CE1-SD 3.93Å; F365-M630 HydrophobicContact CE2-CB 4.49Å; F365-M630 HydrophobicContact CE2-CG 3.97Å; F365-M630 HydrophobicContact CG-CG 4.23Å; F365-M630 HydrophobicContact CZ-CB 4.48Å; F365-M630 HydrophobicContact CZ-CG 3.52Å; F365-V633 HydrophobicContact CD2-CB 4.35Å
366	R	98.6	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	144.5	171.4	63.6	-172.9	-177.4	112.6	2.2	115.6	H410 W497 F503 L505 G506 G507 S591 E599	R366-H410 CarbonylContact C-O 3.55Å; R366-H410 VanDerWaalsContact CA-O 3.26Å; R366-H410 WeakPolarHBondContact CA-O 3.37Å; R366-H410 HydrophobicContact CB-CB 4.37Å; R366-W497 HydrophobicContact CB-CH2 4.11Å; R366-W497 HydrophobicContact CB-CZ2 4.41Å; R366-F503 HydrophobicContact CB-CD1 4Å; R366-F503 HydrophobicContact CB-CE1 3.68Å; R366-F503 HydrophobicContact CB-CZ 4.15Å; R366-F503 HydrophobicContact CG-CD1 3.99Å; R366-F503 HydrophobicContact CG-CE1 4.12Å; R366-F503 HydrophobicContact CG-CG 4.32Å; R366-L505 PolarHBondContact N-O 2.73Å; R366-G506 CarbonylContact O-C 3.49Å; R366-G506 WeakPolarHBondContact O-CA 3.48Å; R366-G507 PolarHBondContact O-N 3.42Å; R366-S591 PolarHBondContact NH2-OG 3.31Å; R366-E599 IonicContact CZ-OE1 3.68Å; R366-E599 IonicContact CZ-OE2 2.76Å; R366-E599 IonicContact NE-OE2 3.54Å; R366-E599 PolarHBondContact NE-OE2 2.84Å; R366-E599 IonicContact NH1-OE1 2.59Å; R366-E599 PolarHBondContact NH1-OE1 2.97Å; R366-E599 IonicContact NH1-OE2 2.63Å; R366-E599 IonicContact NH2-OE1 2.65Å; R366-E599 PolarHBondContact NH2-OE1 2.73Å; R366-E599 IonicContact NH2-OE2 2.84Å; R366-E599 PolarHBondContact NH2-OE2 2.59Å
367	Y	98.9	Very high	97.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.1	156.7	-86.7	-56.5	0	0	0	110.8	F365 L382 L385 H410 L411 L412 G507 L509 M602 L626 F629 M630	F365-Y367 HydrophobicContact CE1-CD1 4.46Å; F365-Y367 AromaticContact CE1-CD2 3.49Å; F365-Y367 HydrophobicContact CE1-CD2 3.49Å; F365-Y367 VanDerWaalsContact CE1-CD2 3.49Å; F365-Y367 AromaticContact CE1-CE2 3.8Å; F365-Y367 HydrophobicContact CE1-CE2 3.8Å; F365-Y367 AromaticContact CE1-CG 3.84Å; F365-Y367 HydrophobicContact CE1-CG 3.84Å; F365-Y367 HydrophobicContact CZ-CD1 4.2Å; F365-Y367 AromaticContact CZ-CD2 3.78Å; F365-Y367 HydrophobicContact CZ-CD2 3.78Å; F365-Y367 HydrophobicContact CZ-CE1 4.11Å; F365-Y367 AromaticContact CZ-CE2 3.68Å; F365-Y367 HydrophobicContact CZ-CE2 3.68Å; F365-Y367 HydrophobicContact CZ-CG 4.02Å; F365-Y367 AromaticContact CZ-CZ 3.84Å; Y367-L382 HydrophobicContact CD2-CD2 4.01Å; Y367-L382 HydrophobicContact CG-CD2 3.89Å; Y367-L385 HydrophobicContact CD2-CD2 4.14Å; Y367-L385 HydrophobicContact CE2-CD2 4.39Å; Y367-H410 PolarHBondContact N-O 2.8Å; Y367-L411 HydrophobicContact CD2-CD2 4.09Å; Y367-L411 HydrophobicContact CG-CD2 4.49Å; Y367-L412 PolarHBondContact O-N 2.96Å; Y367-G507 CarbonylContact C-O 3.6Å; Y367-G507 WeakPolarHBondContact CA-O 3.49Å; Y367-L509 HydrophobicContact CD1-CD2 4.21Å; Y367-L509 HydrophobicContact CD1-CG 4.38Å; Y367-L509 HydrophobicContact CE1-CD2 4.05Å; Y367-M602 HydrophobicContact CE1-CE 4.41Å; Y367-M602 HydrophobicContact CE1-SD 4.34Å; Y367-L626 HydrophobicContact CD2-CD2 4.37Å; Y367-L626 HydrophobicContact CE1-CD2 4.22Å; Y367-L626 HydrophobicContact CE2-CB 4.35Å; Y367-L626 HydrophobicContact CE2-CD2 3.72Å; Y367-L626 PolarHBondContact OH-O 2.92Å; Y367-F629 HydrophobicContact CE1-CD1 4.06Å; Y367-F629 HydrophobicContact CE1-CE1 4.31Å; Y367-F629 AromaticContact CZ-CD1 3.82Å; Y367-F629 WeakPolarHBondContact OH-CB 3.35Å; Y367-F629 VanDerWaalsContact OH-CD1 3.25Å; Y367-F629 WeakPolarHBondContact OH-CD1 3.36Å; Y367-M630 HydrophobicContact CD2-CG 4.4Å; Y367-M630 HydrophobicContact CD2-SD 4.37Å; Y367-M630 HydrophobicContact CE2-CG 3.82Å; Y367-M630 HydrophobicContact CE2-SD 4.2Å
368	T	98.7	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.5	172.7	60	0	0	0	0	109.5	L412 W497 G507 N508 L509 M587	T368-L412 HydrophobicContact CG2-CB 4.29Å; T368-L412 HydrophobicContact CG2-CD2 4.25Å; T368-W497 HydrophobicContact CG2-CH2 3.99Å; T368-W497 HydrophobicContact CG2-CZ3 3.68Å; T368-G507 PolarHBondContact N-O 3.23Å; T368-G507 PolarHBondContact OG1-O 3.34Å; T368-N508 WeakPolarHBondContact O-CA 3.37Å; T368-N508 WeakPolarHBondContact OG1-CA 3.49Å; T368-L509 PolarHBondContact O-N 2.69Å; T368-M587 WeakPolarHBondContact OG1-CE 3.38Å
369	A	98.6	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	163.1	177	0	0	0	0	0	112.2	A371 G378 L382 L412 S414 V415 L509	A369-A371 PolarHBondContact O-N 3.07Å; A369-G378 VanDerWaalsContact CB-O 3.31Å; A369-G378 WeakPolarHBondContact CB-O 3.38Å; A369-L382 HydrophobicContact CB-CD1 3.69Å; A369-L382 HydrophobicContact CB-CG 4.26Å; A369-L412 PolarHBondContact N-O 3.19Å; A369-S414 WeakPolarHBondContact O-CA 3.22Å; A369-V415 PolarHBondContact O-N 3.48Å; A369-L509 HydrophobicContact CB-CB 4.14Å
370	G	96.8	Very high	97.7	Very high	4 Å²	4	5.8 Å²	5.8	4%	0.041	4%	0.038	C	C	.	.			trans	63	38.8	176	0	0	0	0	0	113.1	H372 N416	G370-H372 CarbonylContact C-O 3.53Å; G370-H372 WeakPolarHBondContact CA-O 3.39Å; G370-N416 WeakPolarHBondContact O-CB 3.47Å; G370-N416 PolarHBondContact O-N 2.85Å
371	A	97.2	Very high	97.9	Very high	2 Å²	2	2.4 Å²	2.4	2%	0.017	2%	0.017	C	C	.	.	S	Bend	trans	-63.8	-36.9	166.5	0	0	0	0	0	110.7	A369 V415 N416	A369-A371 PolarHBondContact O-N 3.07Å; A371-V415 HydrophobicContact CB-CB 4.4Å; A371-V415 HydrophobicContact CB-CG1 4.3Å; A371-N416 WeakPolarHBondContact O-CB 3.44Å
372	H	97.9	Very high	98.1	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.01	C	C	.	.	S	Bend	trans	-92.9	127.3	158.4	-50.1	117.9	0	0	0	108.6	G370 N374 E375 R437 D444 Q510	G370-H372 CarbonylContact C-O 3.53Å; G370-H372 WeakPolarHBondContact CA-O 3.39Å; H372-N374 VanDerWaalsContact C-N 3.28Å; H372-N374 PolarHBondContact O-N 3.02Å; H372-E375 HydrophobicContact CB-CB 4.14Å; H372-E375 HydrophobicContact CB-CG 3.92Å; H372-E375 IonicContact CE1-OE2 3.29Å; H372-E375 IonicContact CG-OE1 2.84Å; H372-E375 IonicContact CG-OE2 3.75Å; H372-E375 IonicContact ND1-OE1 3.88Å; H372-E375 PolarHBondContact ND1-OE1 2.98Å; H372-E375 VanDerWaalsContact ND1-OE1 3.09Å; H372-E375 IonicContact ND1-OE2 2.7Å; H372-E375 PolarHBondContact ND1-OE2 2.95Å; H372-E375 PolarHBondContact O-N 2.82Å; H372-R437 WeakPolarHBondContact CA-O 3.3Å; H372-R437 HydrophobicContact CB-CG 4.13Å; H372-R437 VanDerWaalsContact CD2-CZ 3.43Å; H372-R437 PolarHBondContact CD2-NH2 3.28Å; H372-R437 PolarHBondContact CE1-NH2 3.19Å; H372-R437 VanDerWaalsContact CG-NH1 3.28Å; H372-R437 PolarHBondContact ND1-NH1 2.69Å; H372-R437 PolarHBondContact NE2-NH2 3.33Å; H372-D444 IonicContact NE2-OD1 2.81Å; H372-D444 PolarHBondContact NE2-OD1 2.69Å; H372-D444 IonicContact NE2-OD2 3.23Å; H372-D444 PolarHBondContact NE2-OD2 3.02Å; H372-Q510 PolarHBondContact CE1-OE1 2.97Å
373	G	96.9	Very high	98.1	Very high	1 Å²	1	1 Å²	1	1%	0.01	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26	-173.6	0	0	0	0	0	114.2	Y420 G436 R437	G373-Y420 WeakPolarHBondContact O-CA 3.28Å; G373-Y420 WeakPolarHBondContact O-CD2 3.39Å; G373-G436 WeakPolarHBondContact CA-O 3.4Å; G373-G436 PolarHBondContact N-O 3.29Å; G373-R437 PolarHBondContact N-O 2.85Å
374	N	96.9	Very high	98.2	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.008	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-2	176.1	62.1	-28.9	0	0	0	114.8	H372 V376 A423 G432 W433 L435 R437 K608	H372-N374 VanDerWaalsContact C-N 3.28Å; H372-N374 PolarHBondContact O-N 3.02Å; N374-V376 VanDerWaalsContact C-N 3.32Å; N374-V376 PolarHBondContact O-N 3.4Å; N374-A423 HydrophobicContact CB-CB 4.11Å; N374-G432 PolarHBondContact ND2-O 3.44Å; N374-W433 VanDerWaalsContact ND2-C 3.31Å; N374-W433 PolarHBondContact ND2-O 3.01Å; N374-L435 VanDerWaalsContact CB-O 3.31Å; N374-L435 WeakPolarHBondContact CB-O 3.42Å; N374-R437 WeakPolarHBondContact OD1-CA 3.25Å; N374-R437 WeakPolarHBondContact OD1-CB 3.42Å; N374-K608 CarbonylContact O-C 3.58Å; N374-K608 VanDerWaalsContact O-C 3.29Å; N374-K608 VanDerWaalsContact O-CB 3.29Å; N374-K608 WeakPolarHBondContact O-CB 3.4Å
375	E	97.7	Very high	98.2	Very high	3 Å²	3	1.2 Å²	1.2	1%	0.014	1%	0.008	C	C	.	.			trans	-92.1	73.3	174.8	-70.7	169.4	-157.9	0	0	108.8	H372 R437 Q510 G511 K608	H372-E375 HydrophobicContact CB-CB 4.14Å; H372-E375 HydrophobicContact CB-CG 3.92Å; H372-E375 IonicContact CE1-OE2 3.29Å; H372-E375 IonicContact CG-OE1 2.84Å; H372-E375 IonicContact CG-OE2 3.75Å; H372-E375 IonicContact ND1-OE1 3.88Å; H372-E375 PolarHBondContact ND1-OE1 2.98Å; H372-E375 VanDerWaalsContact ND1-OE1 3.09Å; H372-E375 IonicContact ND1-OE2 2.7Å; H372-E375 PolarHBondContact ND1-OE2 2.95Å; H372-E375 PolarHBondContact O-N 2.82Å; E375-R437 IonicContact OE1-CZ 3.58Å; E375-R437 IonicContact OE1-NH1 2.69Å; E375-R437 PolarHBondContact OE1-NH1 2.78Å; E375-Q510 WeakPolarHBondContact OE2-CA 3.35Å; E375-Q510 WeakPolarHBondContact OE2-CB 3.11Å; E375-G511 VanDerWaalsContact CD-O 3.29Å; E375-G511 PolarHBondContact OE2-N 3.1Å; E375-G511 VanDerWaalsContact OE2-N 3.16Å; E375-K608 CarbonylContact C-O 3.54Å; E375-K608 WeakPolarHBondContact CA-O 3.44Å; E375-K608 HydrophobicContact CG-CB 4.15Å; E375-K608 HydrophobicContact CG-CD 3.79Å; E375-K608 HydrophobicContact CG-CG 4.15Å; E375-K608 IonicContact OE1-NZ 3.59Å; E375-K608 PolarHBondContact OE1-NZ 3.05Å
376	V	97.8	Very high	98.1	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-78.5	-31.8	-164.8	175.6	0	0	0	0	113.2	H311 N374 G378 R379 E380 Y420 K608 F609	H311-V376 WeakPolarHBondContact CE1-CG1 3.26Å; N374-V376 VanDerWaalsContact C-N 3.32Å; N374-V376 PolarHBondContact O-N 3.4Å; V376-G378 VanDerWaalsContact C-N 3.28Å; V376-G378 PolarHBondContact O-N 3.48Å; V376-R379 VanDerWaalsContact O-CB 3.32Å; V376-R379 WeakPolarHBondContact O-CB 3.47Å; V376-R379 PolarHBondContact O-N 3.06Å; V376-E380 HydrophobicContact CG1-CG 3.9Å; V376-E380 PolarHBondContact O-N 3.03Å; V376-E380 VanDerWaalsContact O-N 3.15Å; V376-Y420 HydrophobicContact CB-CE2 4.31Å; V376-Y420 HydrophobicContact CG1-CE2 3.82Å; V376-Y420 HydrophobicContact CG2-CD2 3.9Å; V376-Y420 HydrophobicContact CG2-CE2 3.67Å; V376-K608 PolarHBondContact N-O 3.09Å; V376-F609 HydrophobicContact CB-CB 4.44Å; V376-F609 HydrophobicContact CB-CD1 4.46Å; V376-F609 HydrophobicContact CB-CD2 3.84Å; V376-F609 HydrophobicContact CB-CE2 4.17Å; V376-F609 HydrophobicContact CB-CG 4Å; V376-F609 HydrophobicContact CG1-CD2 3.98Å; V376-F609 HydrophobicContact CG1-CE2 3.9Å; V376-F609 HydrophobicContact CG1-CZ 4.45Å; V376-F609 HydrophobicContact CG2-CB 4.22Å; V376-F609 HydrophobicContact CG2-CD1 3.55Å; V376-F609 HydrophobicContact CG2-CD2 3.78Å; V376-F609 HydrophobicContact CG2-CE1 3.74Å; V376-F609 HydrophobicContact CG2-CE2 3.94Å; V376-F609 HydrophobicContact CG2-CG 3.57Å; V376-F609 HydrophobicContact CG2-CZ 3.93Å
377	L	97.8	Very high	98.1	Very high	4 Å²	4	2.3 Å²	2.3	2%	0.021	1%	0.013	C	C	.	.	H	α-helix	trans	-56.3	-43.7	-176.5	178.9	55.6	0	0	0	111.9	R379 E380 L381 V604 P610 L615 E618	L377-R379 VanDerWaalsContact C-N 3.32Å; L377-R379 PolarHBondContact O-N 2.97Å; L377-E380 PolarHBondContact O-N 2.76Å; L377-L381 HydrophobicContact CD1-CD1 4.22Å; L377-L381 HydrophobicContact CD1-CD2 4.38Å; L377-L381 HydrophobicContact CD1-CG 3.94Å; L377-L381 HydrophobicContact CG-CD1 4.02Å; L377-L381 HydrophobicContact CG-CG 4.24Å; L377-L381 WeakPolarHBondContact O-CB 3.41Å; L377-L381 VanDerWaalsContact O-CG 3.28Å; L377-L381 WeakPolarHBondContact O-CG 3.23Å; L377-L381 PolarHBondContact O-N 2.91Å; L377-V604 HydrophobicContact CB-CG2 4.22Å; L377-V604 HydrophobicContact CD2-CB 4.38Å; L377-V604 HydrophobicContact CD2-CG2 3.87Å; L377-V604 WeakPolarHBondContact CD2-O 2.94Å; L377-V604 HydrophobicContact CG-CG2 3.86Å; L377-P610 HydrophobicContact CB-CG 4.06Å; L377-P610 HydrophobicContact CD1-CG 4.36Å; L377-P610 HydrophobicContact CD2-CG 4.39Å; L377-P610 HydrophobicContact CG-CG 4.5Å; L377-L615 HydrophobicContact CD1-CD2 4.14Å; L377-E618 HydrophobicContact CD1-CB 3.58Å; L377-E618 HydrophobicContact CD1-CG 4.17Å; L377-E618 HydrophobicContact CD2-CB 3.95Å; L377-E618 HydrophobicContact CD2-CG 3.99Å; L377-E618 HydrophobicContact CG-CB 4.42Å
378	G	98.3	Very high	98.1	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.01	2%	0.017	C	C	.	.	H	α-helix	trans	-59.8	-36.6	175.9	0	0	0	0	0	114.1	A369 V376 L382	A369-G378 VanDerWaalsContact CB-O 3.31Å; A369-G378 WeakPolarHBondContact CB-O 3.38Å; V376-G378 VanDerWaalsContact C-N 3.28Å; V376-G378 PolarHBondContact O-N 3.48Å; G378-L382 WeakPolarHBondContact O-CG 3.38Å; G378-L382 PolarHBondContact O-N 3.5Å
379	R	98.2	Very high	98.1	Very high	2 Å²	2	3.2 Å²	3.2	1%	0.008	2%	0.017	C	C	.	.	H	α-helix	trans	-63.1	-52.7	176.4	166.9	-155.4	-173.7	90.1	-8.6	110.5	H312 V376 L377 L382 L383 P413 S414 Y420	H312-R379 PolarHBondContact O-NE 2.56Å; H312-R379 PolarHBondContact O-NH2 3.42Å; V376-R379 VanDerWaalsContact O-CB 3.32Å; V376-R379 WeakPolarHBondContact O-CB 3.47Å; V376-R379 PolarHBondContact O-N 3.06Å; L377-R379 VanDerWaalsContact C-N 3.32Å; L377-R379 PolarHBondContact O-N 2.97Å; R379-L382 PolarHBondContact O-N 3.23Å; R379-L383 HydrophobicContact CG-CD1 4.05Å; R379-L383 WeakPolarHBondContact O-CG 3.35Å; R379-L383 PolarHBondContact O-N 3.44Å; R379-P413 WeakPolarHBondContact CA-O 3.47Å; R379-P413 VanDerWaalsContact CB-O 3.24Å; R379-P413 WeakPolarHBondContact CB-O 3.28Å; R379-P413 HydrophobicContact CG-CB 4.5Å; R379-P413 VanDerWaalsContact CG-O 3.3Å; R379-P413 WeakPolarHBondContact CG-O 3.48Å; R379-S414 VanDerWaalsContact NH1-CB 3.31Å; R379-S414 PolarHBondContact NH1-OG 3.25Å; R379-S414 VanDerWaalsContact NH1-OG 3.07Å; R379-Y420 VanDerWaalsContact CZ-CD1 3.42Å; R379-Y420 VanDerWaalsContact CZ-CZ 3.48Å; R379-Y420 VanDerWaalsContact NE-CZ 3.27Å
380	E	98.6	Very high	98.1	Very high	3 Å²	3	3.3 Å²	3.3	1%	0.014	2%	0.017	C	C	.	.	H	α-helix	trans	-70.1	-35.6	-175.2	-56.7	-57.6	158.9	0	0	111	H311 H312 V376 L377 L382 L383 L384 Y420 L615	H311-E380 WeakPolarHBondContact CE1-CG 3.31Å; H311-E380 IonicContact CE1-OE1 3.33Å; H312-E380 IonicContact CE1-OE2 2.74Å; H312-E380 IonicContact CG-OE2 2.71Å; H312-E380 PolarHBondContact N-OE1 2.96Å; H312-E380 IonicContact ND1-OE2 3.76Å; H312-E380 PolarHBondContact ND1-OE2 3.25Å; V376-E380 HydrophobicContact CG1-CG 3.9Å; V376-E380 PolarHBondContact O-N 3.03Å; V376-E380 VanDerWaalsContact O-N 3.15Å; L377-E380 PolarHBondContact O-N 2.76Å; E380-L382 VanDerWaalsContact C-N 3.29Å; E380-L382 PolarHBondContact O-N 2.8Å; E380-L383 PolarHBondContact O-N 2.82Å; E380-L383 VanDerWaalsContact OE2-CD1 3.26Å; E380-L383 WeakPolarHBondContact OE2-CD1 3.44Å; E380-L384 VanDerWaalsContact O-CG 3.3Å; E380-L384 WeakPolarHBondContact O-CG 3.28Å; E380-L384 PolarHBondContact O-N 2.55Å; E380-Y420 PolarHBondContact OE1-OH 3.49Å; E380-L615 HydrophobicContact CB-CD2 4.28Å
381	L	98.8	Very high	98.1	Very high	1 Å²	1	6.1 Å²	6.1	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-56.1	-38.5	170.5	-75	176.8	0	0	0	113	L377 L385 L509 V604 W619 N622 L626	L377-L381 HydrophobicContact CD1-CD1 4.22Å; L377-L381 HydrophobicContact CD1-CD2 4.38Å; L377-L381 HydrophobicContact CD1-CG 3.94Å; L377-L381 HydrophobicContact CG-CD1 4.02Å; L377-L381 HydrophobicContact CG-CG 4.24Å; L377-L381 WeakPolarHBondContact O-CB 3.41Å; L377-L381 VanDerWaalsContact O-CG 3.28Å; L377-L381 WeakPolarHBondContact O-CG 3.23Å; L377-L381 PolarHBondContact O-N 2.91Å; L381-L385 VanDerWaalsContact O-CB 3.24Å; L381-L385 WeakPolarHBondContact O-CB 3.01Å; L381-L385 PolarHBondContact O-N 3.46Å; L381-L509 HydrophobicContact CB-CD1 4.3Å; L381-V604 HydrophobicContact CD1-CB 4.18Å; L381-V604 HydrophobicContact CD1-CG1 4.35Å; L381-V604 HydrophobicContact CD1-CG2 4Å; L381-W619 HydrophobicContact CD2-CE3 3.94Å; L381-N622 HydrophobicContact CD1-CB 3.83Å; L381-N622 HydrophobicContact CD2-CB 3.9Å; L381-L626 HydrophobicContact CB-CD1 4.38Å
382	L	98.8	Very high	98.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-74.9	-28.4	176.1	-63.4	-171.3	0	0	0	113.1	Y367 A369 G378 R379 E380 L385 M386 L411 P413 L509	Y367-L382 HydrophobicContact CD2-CD2 4.01Å; Y367-L382 HydrophobicContact CG-CD2 3.89Å; A369-L382 HydrophobicContact CB-CD1 3.69Å; A369-L382 HydrophobicContact CB-CG 4.26Å; G378-L382 WeakPolarHBondContact O-CG 3.38Å; G378-L382 PolarHBondContact O-N 3.5Å; R379-L382 PolarHBondContact O-N 3.23Å; E380-L382 VanDerWaalsContact C-N 3.29Å; E380-L382 PolarHBondContact O-N 2.8Å; L382-L385 HydrophobicContact CD2-CD2 4.15Å; L382-M386 VanDerWaalsContact O-CE 3.27Å; L382-M386 WeakPolarHBondContact O-CE 3.24Å; L382-M386 WeakPolarHBondContact O-CG 3.27Å; L382-M386 PolarHBondContact O-N 3.07Å; L382-M386 VanDerWaalsContact O-N 3.13Å; L382-L411 HydrophobicContact CD2-CD2 4.46Å; L382-P413 HydrophobicContact CB-CB 4.2Å; L382-L509 HydrophobicContact CD2-CD1 3.78Å; L382-L509 HydrophobicContact CG-CD1 3.97Å
383	L	98.8	Very high	98.2	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-73.4	-35.3	173.3	-66.6	164.6	0	0	0	111.9	H312 M317 L320 M321 R379 E380 M386 Q387 P413	H312-L383 HydrophobicContact CB-CD1 4.07Å; M317-L383 HydrophobicContact CB-CD1 4.41Å; M317-L383 HydrophobicContact CG-CD1 3.98Å; M317-L383 HydrophobicContact CG-CD2 3.71Å; M317-L383 HydrophobicContact CG-CG 4.44Å; L320-L383 HydrophobicContact CD1-CB 4.14Å; L320-L383 HydrophobicContact CD1-CD2 4.49Å; L320-L383 HydrophobicContact CD2-CB 4.28Å; L320-L383 HydrophobicContact CD2-CD2 3.88Å; M321-L383 HydrophobicContact CG-CD2 4.21Å; R379-L383 HydrophobicContact CG-CD1 4.05Å; R379-L383 WeakPolarHBondContact O-CG 3.35Å; R379-L383 PolarHBondContact O-N 3.44Å; E380-L383 PolarHBondContact O-N 2.82Å; E380-L383 VanDerWaalsContact OE2-CD1 3.26Å; E380-L383 WeakPolarHBondContact OE2-CD1 3.44Å; L383-M386 HydrophobicContact CD2-CE 3.84Å; L383-M386 HydrophobicContact CD2-SD 4.01Å; L383-M386 VanDerWaalsContact O-CG 3.28Å; L383-M386 WeakPolarHBondContact O-CG 3.3Å; L383-Q387 WeakPolarHBondContact O-CG 3.5Å; L383-Q387 PolarHBondContact O-N 3.23Å; L383-Q387 PolarHBondContact O-NE2 3.4Å; L383-P413 HydrophobicContact CD2-CB 4.13Å; L383-P413 HydrophobicContact CD2-CG 4.16Å; L383-P413 HydrophobicContact CG-CB 4.03Å
384	L	98.7	Very high	98.2	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.021	8%	0.075	C	C	.	.	H	α-helix	trans	-69	-44.7	170.2	-65.9	169.1	0	0	0	111	L307 F309 E380 M386 Q387 F388 W619	L307-L384 HydrophobicContact CB-CD2 3.62Å; L307-L384 HydrophobicContact CD1-CB 4.22Å; L307-L384 HydrophobicContact CD1-CD2 3.97Å; L307-L384 HydrophobicContact CG-CD2 4.43Å; F309-L384 HydrophobicContact CD1-CD1 3.89Å; F309-L384 HydrophobicContact CD1-CD2 3.74Å; F309-L384 HydrophobicContact CE1-CD1 3.77Å; F309-L384 HydrophobicContact CE1-CD2 3.71Å; F309-L384 HydrophobicContact CE1-CG 4.38Å; F309-L384 HydrophobicContact CG-CD2 4.33Å; F309-L384 HydrophobicContact CZ-CD2 4.28Å; E380-L384 VanDerWaalsContact O-CG 3.3Å; E380-L384 WeakPolarHBondContact O-CG 3.28Å; E380-L384 PolarHBondContact O-N 2.55Å; L384-M386 PolarHBondContact O-N 3.48Å; L384-Q387 WeakPolarHBondContact O-CB 3.46Å; L384-Q387 PolarHBondContact O-N 3.42Å; L384-F388 WeakPolarHBondContact O-CB 3.38Å; L384-F388 PolarHBondContact O-N 3.1Å; L384-W619 HydrophobicContact CB-CD2 4.09Å; L384-W619 HydrophobicContact CB-CE3 3.64Å; L384-W619 HydrophobicContact CB-CH2 4.41Å; L384-W619 HydrophobicContact CB-CZ3 3.83Å; L384-W619 HydrophobicContact CD1-CB 4.01Å; L384-W619 HydrophobicContact CD1-CD2 4.28Å; L384-W619 HydrophobicContact CD1-CE3 4.14Å; L384-W619 HydrophobicContact CD1-CG 4.25Å
385	L	98.8	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-44.3	178.7	-176.9	63.3	0	0	0	112.9	Y367 L381 L382 Q387 F388 M389 L411 W619 L626 L627 M630	Y367-L385 HydrophobicContact CD2-CD2 4.14Å; Y367-L385 HydrophobicContact CE2-CD2 4.39Å; L381-L385 VanDerWaalsContact O-CB 3.24Å; L381-L385 WeakPolarHBondContact O-CB 3.01Å; L381-L385 PolarHBondContact O-N 3.46Å; L382-L385 HydrophobicContact CD2-CD2 4.15Å; L385-Q387 VanDerWaalsContact C-N 3.34Å; L385-Q387 PolarHBondContact O-N 2.92Å; L385-F388 PolarHBondContact O-N 3.22Å; L385-M389 HydrophobicContact CD1-CG 4.04Å; L385-M389 HydrophobicContact CD1-SD 4.15Å; L385-M389 HydrophobicContact CG-CG 4.38Å; L385-M389 HydrophobicContact CG-SD 4.16Å; L385-M389 WeakPolarHBondContact O-CB 3.5Å; L385-M389 WeakPolarHBondContact O-CG 3.32Å; L385-M389 PolarHBondContact O-N 3.09Å; L385-L411 HydrophobicContact CD2-CD1 4.24Å; L385-L411 HydrophobicContact CD2-CD2 4.16Å; L385-L411 HydrophobicContact CG-CD1 4.35Å; L385-W619 HydrophobicContact CB-CH2 4.32Å; L385-W619 HydrophobicContact CB-CZ3 4.21Å; L385-W619 HydrophobicContact CD1-CH2 4.25Å; L385-L626 HydrophobicContact CD2-CB 4.44Å; L385-L627 HydrophobicContact CD1-CD2 4.38Å; L385-M630 HydrophobicContact CD1-CE 4.11Å; L385-M630 HydrophobicContact CD2-CE 4Å; L385-M630 HydrophobicContact CD2-SD 4.49Å
386	M	98.4	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.9	-31.9	178.7	66.3	179.1	72.3	0	0	113.2	L320 M321 V324 I349 I351 L382 L383 L384 C390 L411 P413	L320-M386 HydrophobicContact CD2-CG 4.13Å; L320-M386 HydrophobicContact CD2-SD 3.87Å; M321-M386 HydrophobicContact CB-SD 4.42Å; M321-M386 HydrophobicContact CE-CE 4.47Å; M321-M386 HydrophobicContact CG-CE 4.15Å; M321-M386 HydrophobicContact CG-SD 3.67Å; V324-M386 HydrophobicContact CG1-CB 4.43Å; V324-M386 WeakPolarHBondContact CG1-O 3.49Å; V324-M386 HydrophobicContact CG2-CG 4.31Å; I349-M386 HydrophobicContact CD1-SD 4.42Å; I349-M386 HydrophobicContact CG2-CB 4.12Å; I349-M386 HydrophobicContact CG2-CE 3.5Å; I349-M386 HydrophobicContact CG2-SD 3.82Å; I351-M386 HydrophobicContact CD1-CB 4.46Å; L382-M386 VanDerWaalsContact O-CE 3.27Å; L382-M386 WeakPolarHBondContact O-CE 3.24Å; L382-M386 WeakPolarHBondContact O-CG 3.27Å; L382-M386 PolarHBondContact O-N 3.07Å; L382-M386 VanDerWaalsContact O-N 3.13Å; L383-M386 HydrophobicContact CD2-CE 3.84Å; L383-M386 HydrophobicContact CD2-SD 4.01Å; L383-M386 VanDerWaalsContact O-CG 3.28Å; L383-M386 WeakPolarHBondContact O-CG 3.3Å; L384-M386 PolarHBondContact O-N 3.48Å; M386-C390 WeakPolarHBondContact O-CB 3.35Å; M386-C390 PolarHBondContact O-N 3.35Å; M386-L411 HydrophobicContact CB-CD1 3.98Å; M386-P413 HydrophobicContact CE-CG 4.17Å
387	Q	98.4	Very high	98.2	Very high	22 Å²	22	22.6 Å²	22.6	10%	0.103	13%	0.127	C	C	.	.	H	α-helix	trans	-67.5	-52.9	170.9	-71.2	170.8	95	0	0	110.3	L307 L320 V324 L383 L384 L385 M389 C390 L391	L307-Q387 HydrophobicContact CD2-CB 3.77Å; L320-Q387 HydrophobicContact CD2-CG 4Å; L320-Q387 HydrophobicContact CG-CG 4.37Å; V324-Q387 HydrophobicContact CG2-CB 4.46Å; V324-Q387 HydrophobicContact CG2-CG 3.75Å; L383-Q387 WeakPolarHBondContact O-CG 3.5Å; L383-Q387 PolarHBondContact O-N 3.23Å; L383-Q387 PolarHBondContact O-NE2 3.4Å; L384-Q387 WeakPolarHBondContact O-CB 3.46Å; L384-Q387 PolarHBondContact O-N 3.42Å; L385-Q387 VanDerWaalsContact C-N 3.34Å; L385-Q387 PolarHBondContact O-N 2.92Å; Q387-M389 PolarHBondContact O-N 3.25Å; Q387-C390 PolarHBondContact O-N 2.96Å; Q387-C390 VanDerWaalsContact O-N 3.17Å; Q387-L391 WeakPolarHBondContact O-CG 3.27Å; Q387-L391 PolarHBondContact O-N 2.91Å
388	F	98.6	Very high	98.2	Very high	19 Å²	19	29.3 Å²	29.3	8%	0.083	16%	0.158	C	C	.	.	H	α-helix	trans	-55.1	-48.7	-179.7	177.1	-96.6	0	0	0	112.3	L307 L384 L385 C390 L391 E392 I400 W619 R623 L627	L307-F388 HydrophobicContact CD1-CB 4.41Å; L307-F388 HydrophobicContact CD2-CB 4.36Å; L384-F388 WeakPolarHBondContact O-CB 3.38Å; L384-F388 PolarHBondContact O-N 3.1Å; L385-F388 PolarHBondContact O-N 3.22Å; F388-C390 VanDerWaalsContact C-N 3.33Å; F388-C390 PolarHBondContact O-N 2.93Å; F388-L391 PolarHBondContact O-N 3.45Å; F388-E392 HydrophobicContact CD2-CG 4.2Å; F388-E392 HydrophobicContact CE1-CG 4.23Å; F388-E392 HydrophobicContact CE2-CG 3.84Å; F388-E392 HydrophobicContact CZ-CG 3.85Å; F388-E392 WeakPolarHBondContact O-CB 3.48Å; F388-E392 PolarHBondContact O-N 3.37Å; F388-I400 HydrophobicContact CE1-CD1 4.06Å; F388-I400 HydrophobicContact CE1-CG1 4.43Å; F388-W619 HydrophobicContact CB-CH2 3.91Å; F388-W619 HydrophobicContact CB-CZ2 3.73Å; F388-W619 HydrophobicContact CD1-CH2 4.36Å; F388-W619 HydrophobicContact CD1-CZ2 4.25Å; F388-W619 AromaticContact CD2-CZ2 3.8Å; F388-W619 HydrophobicContact CD2-CZ2 3.8Å; F388-W619 HydrophobicContact CE2-CZ2 4.49Å; F388-W619 HydrophobicContact CG-CH2 4.07Å; F388-W619 AromaticContact CG-CZ2 3.66Å; F388-W619 HydrophobicContact CG-CZ2 3.66Å; F388-R623 HydrophobicContact CZ-CG 4.47Å; F388-L627 HydrophobicContact CE1-CD1 4.14Å
389	M	98.3	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-38.6	178.8	-71.6	-172.2	68.8	0	0	112.7	I351 L385 Q387 Y393 I400 L403 V404 I409 M630	I351-M389 HydrophobicContact CD1-CB 4.31Å; I351-M389 HydrophobicContact CD1-SD 4.12Å; I351-M389 HydrophobicContact CG2-CE 4.43Å; L385-M389 HydrophobicContact CD1-CG 4.04Å; L385-M389 HydrophobicContact CD1-SD 4.15Å; L385-M389 HydrophobicContact CG-CG 4.38Å; L385-M389 HydrophobicContact CG-SD 4.16Å; L385-M389 WeakPolarHBondContact O-CB 3.5Å; L385-M389 WeakPolarHBondContact O-CG 3.32Å; L385-M389 PolarHBondContact O-N 3.09Å; Q387-M389 PolarHBondContact O-N 3.25Å; M389-Y393 VanDerWaalsContact O-CB 3.22Å; M389-Y393 WeakPolarHBondContact O-CB 3.24Å; M389-Y393 PolarHBondContact O-N 3.37Å; M389-I400 HydrophobicContact CB-CG2 4.27Å; M389-I400 HydrophobicContact CG-CG2 4.45Å; M389-I400 WeakPolarHBondContact O-CG2 3.43Å; M389-L403 HydrophobicContact CE-CD2 4.24Å; M389-V404 HydrophobicContact CE-CG2 3.73Å; M389-I409 HydrophobicContact CE-CD1 3.77Å; M389-M630 HydrophobicContact SD-CE 4.1Å
390	C	98.2	Very high	98.1	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-66.3	-49	175.1	171.9	0	0	0	0	111.7	V324 C328 M386 Q387 F388 E392 Y393 L394	V324-C390 HydrophobicContact CG1-CB 3.98Å; C328-C390 HydrophobicContact CB-CB 3.89Å; C328-C390 WeakPolarHBondContact CB-SG 3.24Å; C328-C390 WeakPolarHBondContact SG-CA 3.5Å; C328-C390 WeakPolarHBondContact SG-CB 3.3Å; C328-C390 PolarHBondContact SG-O 3.32Å; C328-C390 VanDerWaalsContact SG-O 3.4Å; C328-C390 CovalentContact SG-SG 2.04Å; C328-C390 PolarHBondContact SG-SG 2.95Å; M386-C390 WeakPolarHBondContact O-CB 3.35Å; M386-C390 PolarHBondContact O-N 3.35Å; Q387-C390 PolarHBondContact O-N 2.96Å; Q387-C390 VanDerWaalsContact O-N 3.17Å; F388-C390 VanDerWaalsContact C-N 3.33Å; F388-C390 PolarHBondContact O-N 2.93Å; C390-E392 PolarHBondContact O-N 3.41Å; C390-Y393 PolarHBondContact O-N 2.86Å; C390-L394 VanDerWaalsContact O-CG 3.3Å; C390-L394 WeakPolarHBondContact O-CG 3.12Å; C390-L394 PolarHBondContact O-N 3.27Å; C390-L394 VanDerWaalsContact O-N 3.07Å
391	L	97.8	Very high	98.1	Very high	63 Å²	63	36 Å²	36	33%	0.33	18%	0.182	S	C	.	.	H	α-helix	trans	-61.4	-43.1	179.6	-68	173	0	0	0	111.8	L307 Q387 F388 L394 S395	L307-L391 HydrophobicContact CD2-CD1 3.75Å; Q387-L391 WeakPolarHBondContact O-CG 3.27Å; Q387-L391 PolarHBondContact O-N 2.91Å; F388-L391 PolarHBondContact O-N 3.45Å; L391-L394 PolarHBondContact O-N 3.31Å; L391-S395 WeakPolarHBondContact O-CB 3.43Å; L391-S395 PolarHBondContact O-N 3.31Å
392	E	97.8	Very high	98	Very high	52 Å²	52	41.4 Å²	41.4	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-76.4	-30.3	-178.7	-76.7	-68.4	85.8	0	0	114	F388 C390 L394 S395 G396 N397 I400	F388-E392 HydrophobicContact CD2-CG 4.2Å; F388-E392 HydrophobicContact CE1-CG 4.23Å; F388-E392 HydrophobicContact CE2-CG 3.84Å; F388-E392 HydrophobicContact CZ-CG 3.85Å; F388-E392 WeakPolarHBondContact O-CB 3.48Å; F388-E392 PolarHBondContact O-N 3.37Å; C390-E392 PolarHBondContact O-N 3.41Å; E392-L394 VanDerWaalsContact C-N 3.33Å; E392-S395 WeakPolarHBondContact CA-OG 3.45Å; E392-S395 PolarHBondContact O-N 3.28Å; E392-S395 PolarHBondContact O-OG 2.9Å; E392-S395 WeakPolarHBondContact OE1-CB 3.43Å; E392-S395 PolarHBondContact OE1-OG 3.05Å; E392-G396 PolarHBondContact O-N 3.45Å; E392-G396 VanDerWaalsContact O-N 3.11Å; E392-N397 HydrophobicContact CB-CB 3.99Å; E392-N397 WeakPolarHBondContact O-CB 3.35Å; E392-N397 PolarHBondContact O-N 2.85Å; E392-N397 WeakPolarHBondContact OE2-CB 3.47Å; E392-N397 PolarHBondContact OE2-ND2 3.25Å; E392-I400 HydrophobicContact CB-CB 4.19Å; E392-I400 HydrophobicContact CB-CG1 3.81Å; E392-I400 HydrophobicContact CB-CG2 4.27Å
393	Y	97.8	Very high	98	Very high	42 Å²	42	41.8 Å²	41.8	17%	0.165	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-42.8	168	-175.4	-84.6	0	0	0	111.1	I331 M389 C390 G396 R401 V404	I331-Y393 HydrophobicContact CD1-CD1 3.65Å; I331-Y393 HydrophobicContact CD1-CD2 3.84Å; I331-Y393 HydrophobicContact CD1-CE1 4.12Å; I331-Y393 HydrophobicContact CD1-CE2 4.31Å; I331-Y393 HydrophobicContact CD1-CG 3.5Å; I331-Y393 VanDerWaalsContact CD1-CG 3.5Å; I331-Y393 HydrophobicContact CG2-CD1 4.48Å; I331-Y393 HydrophobicContact CG2-CE1 3.83Å; I331-Y393 HydrophobicContact CG2-CE2 4.14Å; M389-Y393 VanDerWaalsContact O-CB 3.22Å; M389-Y393 WeakPolarHBondContact O-CB 3.24Å; M389-Y393 PolarHBondContact O-N 3.37Å; C390-Y393 PolarHBondContact O-N 2.86Å; Y393-G396 PolarHBondContact O-N 3.29Å; Y393-R401 HydrophobicContact CD2-CB 4.42Å; Y393-R401 HydrophobicContact CD2-CG 3.61Å; Y393-R401 HydrophobicContact CE2-CB 4.45Å; Y393-R401 HydrophobicContact CE2-CG 3.77Å; Y393-R401 HydrophobicContact CG-CG 4.26Å; Y393-R401 VanDerWaalsContact O-CZ 3.31Å; Y393-R401 PolarHBondContact O-NE 3.46Å; Y393-R401 PolarHBondContact O-NH2 3.09Å; Y393-V404 HydrophobicContact CD2-CB 4.22Å; Y393-V404 HydrophobicContact CD2-CG1 4.17Å; Y393-V404 HydrophobicContact CD2-CG2 4.46Å; Y393-V404 HydrophobicContact CE2-CB 4.35Å; Y393-V404 HydrophobicContact CE2-CG1 4.04Å
394	L	97.2	Very high	97.9	Very high	102 Å²	102	41.7 Å²	41.7	53%	0.534	21%	0.209	S	C	.	.	H	α-helix	trans	-68	-37.1	175.8	-69.3	173.1	0	0	0	112.7	C390 L391 E392 G396	C390-L394 VanDerWaalsContact O-CG 3.3Å; C390-L394 WeakPolarHBondContact O-CG 3.12Å; C390-L394 PolarHBondContact O-N 3.27Å; C390-L394 VanDerWaalsContact O-N 3.07Å; L391-L394 PolarHBondContact O-N 3.31Å; E392-L394 VanDerWaalsContact C-N 3.33Å; L394-G396 PolarHBondContact O-N 2.64Å
395	S	97.1	Very high	97.8	Very high	78 Å²	78	45.8 Å²	45.8	55%	0.545	23%	0.228	S	C	.	.	H	α-helix	trans	-67	-26	176.4	82.6	0	0	0	0	112.7	L391 E392	L391-S395 WeakPolarHBondContact O-CB 3.43Å; L391-S395 PolarHBondContact O-N 3.31Å; E392-S395 WeakPolarHBondContact CA-OG 3.45Å; E392-S395 PolarHBondContact O-N 3.28Å; E392-S395 PolarHBondContact O-OG 2.9Å; E392-S395 WeakPolarHBondContact OE1-CB 3.43Å; E392-S395 PolarHBondContact OE1-OG 3.05Å
396	G	97.4	Very high	97.7	Very high	27 Å²	27	49.5 Å²	49.5	28%	0.278	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.4	13	178.3	0	0	0	0	0	114.2	E392 Y393 L394 Q398	E392-G396 PolarHBondContact O-N 3.45Å; E392-G396 VanDerWaalsContact O-N 3.11Å; Y393-G396 PolarHBondContact O-N 3.29Å; L394-G396 PolarHBondContact O-N 2.64Å; G396-Q398 PolarHBondContact O-N 3.46Å; G396-Q398 VanDerWaalsContact O-N 3.15Å; G396-Q398 PolarHBondContact O-NE2 2.84Å
397	N	97.9	Very high	97.7	Very high	52 Å²	52	49.5 Å²	49.5	28%	0.278	25%	0.246	S	C	.	.			trans	-57.7	118.1	179.6	-174.7	-28.9	0	0	0	111	E392 R399 I400 R401	E392-N397 HydrophobicContact CB-CB 3.99Å; E392-N397 WeakPolarHBondContact O-CB 3.35Å; E392-N397 PolarHBondContact O-N 2.85Å; E392-N397 WeakPolarHBondContact OE2-CB 3.47Å; E392-N397 PolarHBondContact OE2-ND2 3.25Å; N397-R399 VanDerWaalsContact C-N 3.32Å; N397-R399 PolarHBondContact O-N 3.37Å; N397-R399 WeakPolarHBondContact OD1-CB 3.08Å; N397-R399 PolarHBondContact OD1-N 3.34Å; N397-I400 HydrophobicContact CB-CB 4.38Å; N397-I400 HydrophobicContact CB-CG1 4.32Å; N397-I400 PolarHBondContact O-N 3Å; N397-R401 WeakPolarHBondContact O-CB 3.31Å; N397-R401 WeakPolarHBondContact O-CG 3.36Å; N397-R401 PolarHBondContact O-N 3.33Å
398	Q	97.9	Very high	97.7	Very high	144 Å²	144	48.9 Å²	48.9	67%	0.673	24%	0.242	S	C	*	.	H	α-helix	trans	-68.1	-29.1	-174.4	-59.5	-63.5	-84.9	0	0	113	G396 H402	G396-Q398 PolarHBondContact O-N 3.46Å; G396-Q398 VanDerWaalsContact O-N 3.15Å; G396-Q398 PolarHBondContact O-NE2 2.84Å; Q398-H402 VanDerWaalsContact O-CB 3.25Å; Q398-H402 WeakPolarHBondContact O-CB 3.25Å; Q398-H402 PolarHBondContact O-N 3.31Å
399	R	97.4	Very high	97.7	Very high	72 Å²	72	48 Å²	48	27%	0.272	24%	0.238	S	C	.	.	H	α-helix	trans	-66.3	-50.3	175.9	-173.5	-172.6	-172.1	177.3	8.1	110.4	N397 H402 L403 E624 E631	N397-R399 VanDerWaalsContact C-N 3.32Å; N397-R399 PolarHBondContact O-N 3.37Å; N397-R399 WeakPolarHBondContact OD1-CB 3.08Å; N397-R399 PolarHBondContact OD1-N 3.34Å; R399-H402 PolarHBondContact O-N 2.81Å; R399-L403 VanDerWaalsContact O-CB 3.28Å; R399-L403 WeakPolarHBondContact O-CB 3.07Å; R399-L403 PolarHBondContact O-N 3Å; R399-E624 IonicContact CZ-OE1 3.99Å; R399-E624 VanDerWaalsContact CZ-OE1 3.23Å; R399-E624 IonicContact CZ-OE2 2.75Å; R399-E624 IonicContact NH1-OE1 3.81Å; R399-E624 PolarHBondContact NH1-OE1 3.4Å; R399-E624 IonicContact NH1-OE2 3.79Å; R399-E624 PolarHBondContact NH1-OE2 2.97Å; R399-E624 IonicContact NH2-OE1 2.75Å; R399-E624 PolarHBondContact NH2-OE1 3.11Å; R399-E631 WeakPolarHBondContact CG-OE1 3.43Å; R399-E631 IonicContact CZ-OE1 2.7Å; R399-E631 IonicContact CZ-OE2 2.7Å; R399-E631 IonicContact NE-OE1 3.89Å; R399-E631 PolarHBondContact NE-OE1 2.87Å; R399-E631 IonicContact NE-OE2 3.1Å; R399-E631 IonicContact NH2-OE1 3.05Å; R399-E631 IonicContact NH2-OE2 3.79Å; R399-E631 PolarHBondContact NH2-OE2 2.92Å
400	I	98.3	Very high	97.8	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-68.7	-37.8	-178.9	-57.8	-54.7	0	0	0	111.2	F388 M389 E392 N397 L403 V404 L627	F388-I400 HydrophobicContact CE1-CD1 4.06Å; F388-I400 HydrophobicContact CE1-CG1 4.43Å; M389-I400 HydrophobicContact CB-CG2 4.27Å; M389-I400 HydrophobicContact CG-CG2 4.45Å; M389-I400 WeakPolarHBondContact O-CG2 3.43Å; E392-I400 HydrophobicContact CB-CB 4.19Å; E392-I400 HydrophobicContact CB-CG1 3.81Å; E392-I400 HydrophobicContact CB-CG2 4.27Å; N397-I400 HydrophobicContact CB-CB 4.38Å; N397-I400 HydrophobicContact CB-CG1 4.32Å; N397-I400 PolarHBondContact O-N 3Å; I400-L403 PolarHBondContact O-N 3.36Å; I400-V404 WeakPolarHBondContact O-CB 3.35Å; I400-V404 VanDerWaalsContact O-CG2 3.28Å; I400-V404 WeakPolarHBondContact O-CG2 3.39Å; I400-V404 PolarHBondContact O-N 3Å; I400-L627 HydrophobicContact CD1-CD1 4.28Å; I400-L627 HydrophobicContact CD1-CD2 3.63Å
401	R	97.9	Very high	97.8	Very high	73 Å²	73	47.9 Å²	47.9	28%	0.275	24%	0.238	S	C	.	.	H	α-helix	trans	-61.3	-54.2	172.5	-78	179.4	171.9	-115	-1.5	112.4	Y393 N397 L403 V404 E405	Y393-R401 HydrophobicContact CD2-CB 4.42Å; Y393-R401 HydrophobicContact CD2-CG 3.61Å; Y393-R401 HydrophobicContact CE2-CB 4.45Å; Y393-R401 HydrophobicContact CE2-CG 3.77Å; Y393-R401 HydrophobicContact CG-CG 4.26Å; Y393-R401 VanDerWaalsContact O-CZ 3.31Å; Y393-R401 PolarHBondContact O-NE 3.46Å; Y393-R401 PolarHBondContact O-NH2 3.09Å; N397-R401 WeakPolarHBondContact O-CB 3.31Å; N397-R401 WeakPolarHBondContact O-CG 3.36Å; N397-R401 PolarHBondContact O-N 3.33Å; R401-L403 PolarHBondContact O-N 3.44Å; R401-V404 CarbonylContact O-C 3.48Å; R401-V404 PolarHBondContact O-N 3.49Å; R401-E405 VanDerWaalsContact O-CB 3.32Å; R401-E405 WeakPolarHBondContact O-CB 3.22Å; R401-E405 WeakPolarHBondContact O-CG 3.43Å; R401-E405 PolarHBondContact O-N 3.45Å
402	H	96.9	Very high	97.8	Very high	116 Å²	116	44.9 Å²	44.9	54%	0.537	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-37.5	177.9	-177.3	41.1	0	0	0	112.4	Q398 R399 E405 E406	Q398-H402 VanDerWaalsContact O-CB 3.25Å; Q398-H402 WeakPolarHBondContact O-CB 3.25Å; Q398-H402 PolarHBondContact O-N 3.31Å; R399-H402 PolarHBondContact O-N 2.81Å; H402-E405 PolarHBondContact O-N 3.06Å; H402-E406 PolarHBondContact O-N 3.46Å; H402-E406 VanDerWaalsContact O-N 3.14Å
403	L	97.7	Very high	97.9	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.037	21%	0.21	C	C	.	.	H	α-helix	trans	-65.2	-38.6	176.1	-172.8	65.3	0	0	0	112.2	M389 R399 I400 R401 T407 I409 L627 M630 E631	M389-L403 HydrophobicContact CE-CD2 4.24Å; R399-L403 VanDerWaalsContact O-CB 3.28Å; R399-L403 WeakPolarHBondContact O-CB 3.07Å; R399-L403 PolarHBondContact O-N 3Å; I400-L403 PolarHBondContact O-N 3.36Å; R401-L403 PolarHBondContact O-N 3.44Å; L403-T407 WeakPolarHBondContact O-CB 3.5Å; L403-T407 PolarHBondContact O-N 2.87Å; L403-T407 VanDerWaalsContact O-N 3.16Å; L403-T407 PolarHBondContact O-OG1 3.26Å; L403-I409 HydrophobicContact CD1-CD1 4.47Å; L403-I409 HydrophobicContact CD2-CD1 4.22Å; L403-I409 HydrophobicContact CG-CD1 3.89Å; L403-L627 HydrophobicContact CD2-CD2 4.38Å; L403-M630 HydrophobicContact CD1-CB 4.29Å; L403-M630 HydrophobicContact CD2-CB 4.28Å; L403-M630 HydrophobicContact CD2-CE 3.99Å; L403-M630 HydrophobicContact CD2-SD 4.49Å; L403-E631 HydrophobicContact CD1-CG 4.15Å
404	V	98.1	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-78.3	-29.3	177.2	170.6	0	0	0	0	113.1	I331 I351 S352 D353 M389 Y393 I400 R401	I331-V404 HydrophobicContact CB-CG1 4.22Å; I331-V404 HydrophobicContact CD1-CG1 4.32Å; I331-V404 HydrophobicContact CG2-CG1 4.37Å; I351-V404 HydrophobicContact CG2-CG1 4.34Å; I351-V404 HydrophobicContact CG2-CG2 3.86Å; S352-V404 WeakPolarHBondContact CA-O 3.43Å; D353-V404 PolarHBondContact N-O 3.09Å; D353-V404 VanDerWaalsContact N-O 3.13Å; M389-V404 HydrophobicContact CE-CG2 3.73Å; Y393-V404 HydrophobicContact CD2-CB 4.22Å; Y393-V404 HydrophobicContact CD2-CG1 4.17Å; Y393-V404 HydrophobicContact CD2-CG2 4.46Å; Y393-V404 HydrophobicContact CE2-CB 4.35Å; Y393-V404 HydrophobicContact CE2-CG1 4.04Å; I400-V404 WeakPolarHBondContact O-CB 3.35Å; I400-V404 VanDerWaalsContact O-CG2 3.28Å; I400-V404 WeakPolarHBondContact O-CG2 3.39Å; I400-V404 PolarHBondContact O-N 3Å; R401-V404 CarbonylContact O-C 3.48Å; R401-V404 PolarHBondContact O-N 3.49Å
405	E	96.8	Very high	97.9	Very high	89 Å²	89	35.7 Å²	35.7	42%	0.416	18%	0.178	S	C	.	.	H	α-helix	trans	-85.8	-9.5	-179.1	-68.4	163.5	-170.7	0	0	113.5	D353 R401 H402	D353-E405 HydrophobicContact CB-CG 4.36Å; R401-E405 VanDerWaalsContact O-CB 3.32Å; R401-E405 WeakPolarHBondContact O-CB 3.22Å; R401-E405 WeakPolarHBondContact O-CG 3.43Å; R401-E405 PolarHBondContact O-N 3.45Å; H402-E405 PolarHBondContact O-N 3.06Å
406	E	96.5	Very high	98	Very high	79 Å²	79	32 Å²	32	37%	0.369	15%	0.152	S	C	.	.	H	α-helix	trans	-126.2	0.1	174.9	-79.1	-101.6	-176.5	0	0	113.5	P363 H402 H634 K638	P363-E406 WeakPolarHBondContact CD-O 3.48Å; H402-E406 PolarHBondContact O-N 3.46Å; H402-E406 VanDerWaalsContact O-N 3.14Å; E406-H634 PolarHBondContact O-CE1 2.72Å; E406-H634 PolarHBondContact O-NE2 2.89Å; E406-K638 IonicContact OE2-NZ 3.86Å; E406-K638 PolarHBondContact OE2-NZ 2.74Å
407	T	98.2	Very high	98	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.139	C	C	.	.			trans	-141.3	130.5	-173.9	-31.6	0	0	0	0	112.8	P363 F365 L403 I409 V633 H634	P363-T407 HydrophobicContact CG-CG2 4.41Å; F365-T407 HydrophobicContact CB-CG2 3.92Å; L403-T407 WeakPolarHBondContact O-CB 3.5Å; L403-T407 PolarHBondContact O-N 2.87Å; L403-T407 VanDerWaalsContact O-N 3.16Å; L403-T407 PolarHBondContact O-OG1 3.26Å; T407-I409 HydrophobicContact CG2-CD1 4.33Å; T407-I409 HydrophobicContact CG2-CG1 3.84Å; T407-I409 PolarHBondContact O-N 2.82Å; T407-V633 HydrophobicContact CG2-CG1 3.71Å; T407-H634 PolarHBondContact OG1-NE2 3.32Å
408	R	98.6	Very high	98	Very high	8 Å²	8	28.4 Å²	28.4	3%	0.03	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	105.2	172.5	-160.8	165.3	164.6	-147.8	21	111.3	E350 G356 E357 E362 P363 E364 F365 H410	E350-R408 IonicContact OE1-CZ 2.73Å; E350-R408 IonicContact OE1-NE 3.09Å; E350-R408 PolarHBondContact OE1-NE 2.85Å; E350-R408 IonicContact OE1-NH2 3.9Å; E350-R408 PolarHBondContact OE1-NH2 3.21Å; G356-R408 PolarHBondContact O-NH2 3.21Å; G356-R408 VanDerWaalsContact O-NH2 3.09Å; E357-R408 WeakPolarHBondContact O-CD 3.31Å; E357-R408 PolarHBondContact O-NE 3.09Å; E357-R408 VanDerWaalsContact O-NE 3.12Å; E357-R408 PolarHBondContact O-NH1 2.91Å; E357-R408 VanDerWaalsContact O-NH1 3.12Å; E357-R408 PolarHBondContact O-NH2 3.05Å; E362-R408 HydrophobicContact CG-CB 4.31Å; E362-R408 WeakPolarHBondContact OE1-CB 3.41Å; E362-R408 PolarHBondContact OE1-N 3.42Å; P363-R408 PolarHBondContact O-N 2.76Å; P363-R408 VanDerWaalsContact O-N 3.08Å; E364-R408 WeakPolarHBondContact CA-O 3.38Å; E364-R408 WeakPolarHBondContact OE1-CD 3.41Å; E364-R408 IonicContact OE1-CZ 2.83Å; E364-R408 IonicContact OE1-NE 3.73Å; E364-R408 IonicContact OE1-NH1 2.9Å; E364-R408 PolarHBondContact OE1-NH1 3.37Å; E364-R408 WeakPolarHBondContact OE2-CD 3.31Å; E364-R408 WeakPolarHBondContact OE2-CG 3.43Å; E364-R408 IonicContact OE2-CZ 3.85Å; E364-R408 IonicContact OE2-NE 3.59Å; E364-R408 IonicContact OE2-NH1 2.72Å; E364-R408 PolarHBondContact OE2-NH1 2.84Å; F365-R408 PolarHBondContact N-O 3.21Å; R408-H410 WeakPolarHBondContact CD-NE2 3.35Å; R408-H410 WeakPolarHBondContact CG-NE2 3.42Å; R408-H410 PolarHBondContact NE-CE1 2.86Å; R408-H410 VanDerWaalsContact NE-CE1 3.3Å; R408-H410 PolarHBondContact NE-NE2 3.22Å
409	I	98.8	Very high	98	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.5	-167.8	-66.9	165.6	0	0	0	109.9	E350 I351 F365 M389 L403 T407 L411 M630	E350-I409 CarbonylContact C-O 3.6Å; E350-I409 WeakPolarHBondContact CA-O 3.45Å; I351-I409 HydrophobicContact CB-CB 4.36Å; I351-I409 PolarHBondContact N-O 2.86Å; I351-I409 PolarHBondContact O-N 3.45Å; F365-I409 HydrophobicContact CB-CG1 4.35Å; F365-I409 HydrophobicContact CD1-CG1 4.39Å; F365-I409 HydrophobicContact CD1-CG2 4.26Å; M389-I409 HydrophobicContact CE-CD1 3.77Å; L403-I409 HydrophobicContact CD1-CD1 4.47Å; L403-I409 HydrophobicContact CD2-CD1 4.22Å; L403-I409 HydrophobicContact CG-CD1 3.89Å; T407-I409 HydrophobicContact CG2-CD1 4.33Å; T407-I409 HydrophobicContact CG2-CG1 3.84Å; T407-I409 PolarHBondContact O-N 2.82Å; I409-L411 HydrophobicContact CG2-CD2 3.73Å; I409-L411 HydrophobicContact CG2-CG 4.05Å; I409-M630 HydrophobicContact CD1-SD 4Å; I409-M630 HydrophobicContact CG1-SD 4.41Å; I409-M630 HydrophobicContact CG2-SD 4.01Å
410	H	98.9	Very high	98	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.8	179.5	-59	-100.3	0	0	0	111.2	Y335 V348 E350 E364 F365 R366 Y367 R408 W497 M501 F503	Y335-H410 AromaticContact CE1-CE1 3.94Å; Y335-H410 AromaticContact CE1-ND1 3.5Å; Y335-H410 AromaticContact CZ-ND1 3.55Å; Y335-H410 PolarHBondContact OH-ND1 3.09Å; V348-H410 HydrophobicContact CG1-CB 3.86Å; E350-H410 VanDerWaalsContact CG-CE1 3.5Å; E350-H410 WeakPolarHBondContact CG-CE1 3.45Å; E350-H410 IonicContact OE1-CE1 2.97Å; E350-H410 IonicContact OE2-CE1 3.88Å; E364-H410 IonicContact OE1-NE2 3.45Å; E364-H410 IonicContact OE2-CD2 3.52Å; E364-H410 IonicContact OE2-CE1 2.79Å; E364-H410 CovalentContact OE2-NE2 1.75Å; E364-H410 IonicContact OE2-NE2 2.66Å; E364-H410 PolarHBondContact OE2-NE2 3.12Å; F365-H410 PolarHBondContact O-CD2 2.96Å; F365-H410 PolarHBondContact O-N 3.26Å; R366-H410 CarbonylContact C-O 3.55Å; R366-H410 VanDerWaalsContact CA-O 3.26Å; R366-H410 WeakPolarHBondContact CA-O 3.37Å; R366-H410 HydrophobicContact CB-CB 4.37Å; Y367-H410 PolarHBondContact N-O 2.8Å; R408-H410 WeakPolarHBondContact CD-NE2 3.35Å; R408-H410 WeakPolarHBondContact CG-NE2 3.42Å; R408-H410 PolarHBondContact NE-CE1 2.86Å; R408-H410 VanDerWaalsContact NE-CE1 3.3Å; R408-H410 PolarHBondContact NE-NE2 3.22Å; H410-W497 HydrophobicContact CB-CZ2 3.87Å; H410-M501 WeakPolarHBondContact CE1-CE 3.5Å; H410-F503 HydrophobicContact CB-CE1 4.27Å; H410-F503 HydrophobicContact CB-CZ 4.43Å; H410-F503 AromaticContact CD2-CE1 3.6Å
411	L	98.9	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.8	-177.5	-50.5	178.6	0	0	0	110.3	V348 I349 I351 Y367 L382 L385 M386 I409 P413	V348-L411 WeakPolarHBondContact CA-O 3.37Å; I349-L411 HydrophobicContact CG2-CB 3.89Å; I349-L411 HydrophobicContact CG2-CD1 4.39Å; I349-L411 HydrophobicContact CG2-CG 4.48Å; I349-L411 PolarHBondContact N-O 3.31Å; I349-L411 PolarHBondContact O-N 3.15Å; I351-L411 HydrophobicContact CD1-CD1 3.92Å; Y367-L411 HydrophobicContact CD2-CD2 4.09Å; Y367-L411 HydrophobicContact CG-CD2 4.49Å; L382-L411 HydrophobicContact CD2-CD2 4.46Å; L385-L411 HydrophobicContact CD2-CD1 4.24Å; L385-L411 HydrophobicContact CD2-CD2 4.16Å; L385-L411 HydrophobicContact CG-CD1 4.35Å; M386-L411 HydrophobicContact CB-CD1 3.98Å; I409-L411 HydrophobicContact CG2-CD2 3.73Å; I409-L411 HydrophobicContact CG2-CG 4.05Å; L411-P413 WeakPolarHBondContact O-CD 3.16Å
412	L	98.8	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	90.5	176.5	176.4	53.7	0	0	0	109.7	I337 L346 Y347 V348 Y367 T368 A369 S414 V415 L494 W497	I337-L412 HydrophobicContact CD1-CD2 3.68Å; L346-L412 HydrophobicContact CB-CD1 4.4Å; Y347-L412 WeakPolarHBondContact O-CD1 3Å; V348-L412 HydrophobicContact CG2-CB 4.2Å; V348-L412 HydrophobicContact CG2-CD1 4.08Å; Y367-L412 PolarHBondContact O-N 2.96Å; T368-L412 HydrophobicContact CG2-CB 4.29Å; T368-L412 HydrophobicContact CG2-CD2 4.25Å; A369-L412 PolarHBondContact N-O 3.19Å; L412-S414 VanDerWaalsContact C-N 3.27Å; L412-S414 PolarHBondContact O-N 3.09Å; L412-V415 HydrophobicContact CD2-CG2 3.74Å; L412-V415 HydrophobicContact CG-CG2 4.05Å; L412-L494 HydrophobicContact CD2-CD2 3.68Å; L412-W497 HydrophobicContact CB-CH2 4.11Å; L412-W497 HydrophobicContact CB-CZ3 4.44Å; L412-W497 HydrophobicContact CD2-CE3 4.32Å; L412-W497 HydrophobicContact CD2-CH2 4.19Å; L412-W497 HydrophobicContact CD2-CZ3 3.71Å
413	P	98.3	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-70.2	-16.6	-174	27.9	-35.9	0	0	0	114.5	M317 M321 R379 L382 L383 M386 L411	M317-P413 HydrophobicContact CG-CG 4.31Å; M317-P413 HydrophobicContact SD-CB 4.45Å; M317-P413 HydrophobicContact SD-CG 3.99Å; M321-P413 HydrophobicContact CE-CG 4.28Å; M321-P413 HydrophobicContact SD-CG 4.11Å; R379-P413 WeakPolarHBondContact CA-O 3.47Å; R379-P413 VanDerWaalsContact CB-O 3.24Å; R379-P413 WeakPolarHBondContact CB-O 3.28Å; R379-P413 HydrophobicContact CG-CB 4.5Å; R379-P413 VanDerWaalsContact CG-O 3.3Å; R379-P413 WeakPolarHBondContact CG-O 3.48Å; L382-P413 HydrophobicContact CB-CB 4.2Å; L383-P413 HydrophobicContact CD2-CB 4.13Å; L383-P413 HydrophobicContact CD2-CG 4.16Å; L383-P413 HydrophobicContact CG-CB 4.03Å; M386-P413 HydrophobicContact CE-CG 4.17Å; L411-P413 WeakPolarHBondContact O-CD 3.16Å
414	S	97.9	Very high	97.8	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.028	8%	0.082	C	C	.	.			trans	-150.8	105.5	-178.6	-167.9	0	0	0	0	112.1	A369 R379 L412 P417	A369-S414 WeakPolarHBondContact O-CA 3.22Å; R379-S414 VanDerWaalsContact NH1-CB 3.31Å; R379-S414 PolarHBondContact NH1-OG 3.25Å; R379-S414 VanDerWaalsContact NH1-OG 3.07Å; L412-S414 VanDerWaalsContact C-N 3.27Å; L412-S414 PolarHBondContact O-N 3.09Å; S414-P417 WeakPolarHBondContact OG-CA 3.32Å
415	V	98.3	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-76.9	-44.9	170.8	168.1	0	0	0	0	111.3	A369 A371 L412 P417 I445 E490 L494	A369-V415 PolarHBondContact O-N 3.48Å; A371-V415 HydrophobicContact CB-CB 4.4Å; A371-V415 HydrophobicContact CB-CG1 4.3Å; L412-V415 HydrophobicContact CD2-CG2 3.74Å; L412-V415 HydrophobicContact CG-CG2 4.05Å; V415-P417 WeakPolarHBondContact O-CD 3.22Å; V415-I445 HydrophobicContact CG1-CD1 4.3Å; V415-I445 HydrophobicContact CG1-CG2 3.77Å; V415-E490 HydrophobicContact CG1-CB 4.46Å; V415-E490 WeakPolarHBondContact O-CG 3.3Å; V415-L494 HydrophobicContact CG1-CD1 3.73Å; V415-L494 HydrophobicContact CG2-CD1 4.25Å; V415-L494 HydrophobicContact CG2-CD2 4.28Å
416	N	98.2	Very high	97.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.			trans	-111.7	73.1	179.4	-174.2	4.7	0	0	0	111.5	G370 A371 D418 G419 Y420 R437 W438 I445	G370-N416 WeakPolarHBondContact O-CB 3.47Å; G370-N416 PolarHBondContact O-N 2.85Å; A371-N416 WeakPolarHBondContact O-CB 3.44Å; N416-D418 PolarHBondContact O-N 3.02Å; N416-G419 PolarHBondContact O-N 3.39Å; N416-G419 PolarHBondContact OD1-N 3.49Å; N416-Y420 PolarHBondContact O-N 3.1Å; N416-Y420 VanDerWaalsContact O-N 3.13Å; N416-R437 PolarHBondContact ND2-O 3.45Å; N416-W438 PolarHBondContact ND2-O 3.33Å; N416-W438 VanDerWaalsContact ND2-O 3.14Å; N416-I445 HydrophobicContact CB-CD1 3.8Å
417	P	97.9	Very high	97.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-27.6	178.2	29.4	-36.5	0	0	0	112.3	Y314 L344 L346 S414 V415 Y420 E421	Y314-P417 HydrophobicContact CD2-CB 3.82Å; Y314-P417 HydrophobicContact CE2-CB 4.33Å; L344-P417 HydrophobicContact CB-CB 4.28Å; L344-P417 HydrophobicContact CB-CG 3.87Å; L344-P417 HydrophobicContact CD1-CB 3.89Å; L344-P417 HydrophobicContact CD1-CG 4.21Å; L346-P417 HydrophobicContact CD1-CG 4.45Å; S414-P417 WeakPolarHBondContact OG-CA 3.32Å; V415-P417 WeakPolarHBondContact O-CD 3.22Å; P417-Y420 PolarHBondContact O-N 3.43Å; P417-E421 WeakPolarHBondContact O-CG 3.24Å; P417-E421 PolarHBondContact O-N 3.24Å
418	D	97.6	Very high	97.1	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-68.2	-36.3	178.7	-74.1	14.5	0	0	0	112.9	S340 Q341 N342 L344 N416 K422 N440	S340-D418 VanDerWaalsContact CB-CG 3.49Å; S340-D418 WeakPolarHBondContact CB-OD1 3.23Å; S340-D418 VanDerWaalsContact OG-CG 3.26Å; S340-D418 PolarHBondContact OG-OD1 3.33Å; S340-D418 PolarHBondContact OG-OD2 3.17Å; Q341-D418 PolarHBondContact N-OD2 2.85Å; N342-D418 VanDerWaalsContact CB-OD2 3.27Å; N342-D418 WeakPolarHBondContact CB-OD2 3.43Å; N342-D418 PolarHBondContact N-OD2 2.88Å; N342-D418 VanDerWaalsContact ND2-CG 3.3Å; N342-D418 PolarHBondContact ND2-OD2 3.2Å; N342-D418 VanDerWaalsContact ND2-OD2 3.1Å; L344-D418 WeakPolarHBondContact CD1-OD1 3.37Å; N416-D418 PolarHBondContact O-N 3.02Å; D418-K422 WeakPolarHBondContact O-CE 3.13Å; D418-N440 PolarHBondContact OD2-ND2 3.21Å
419	G	97.4	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-70.9	-42.6	170.7	0	0	0	0	0	111.5	N416 K422 A423 G436	N416-G419 PolarHBondContact O-N 3.39Å; N416-G419 PolarHBondContact OD1-N 3.49Å; G419-K422 PolarHBondContact O-N 3.09Å; G419-A423 PolarHBondContact O-N 3.02Å; G419-G436 CarbonylContact C-O 3.59Å; G419-G436 WeakPolarHBondContact CA-O 3.47Å; G419-G436 WeakPolarHBondContact O-CA 3.21Å
420	Y	97.8	Very high	96.5	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-59.6	-49.6	-179.2	175.5	-90.7	0	0	0	113.1	H312 G373 V376 R379 E380 N416 P417 K422 A423 F424	H312-Y420 PolarHBondContact N-OH 3.42Å; H312-Y420 VanDerWaalsContact O-CE1 3.27Å; H312-Y420 WeakPolarHBondContact O-CE1 3.46Å; H312-Y420 PolarHBondContact O-OH 2.82Å; G373-Y420 WeakPolarHBondContact O-CA 3.28Å; G373-Y420 WeakPolarHBondContact O-CD2 3.39Å; V376-Y420 HydrophobicContact CB-CE2 4.31Å; V376-Y420 HydrophobicContact CG1-CE2 3.82Å; V376-Y420 HydrophobicContact CG2-CD2 3.9Å; V376-Y420 HydrophobicContact CG2-CE2 3.67Å; R379-Y420 VanDerWaalsContact CZ-CD1 3.42Å; R379-Y420 VanDerWaalsContact CZ-CZ 3.48Å; R379-Y420 VanDerWaalsContact NE-CZ 3.27Å; E380-Y420 PolarHBondContact OE1-OH 3.49Å; N416-Y420 PolarHBondContact O-N 3.1Å; N416-Y420 VanDerWaalsContact O-N 3.13Å; P417-Y420 PolarHBondContact O-N 3.43Å; Y420-K422 PolarHBondContact O-N 2.43Å; Y420-K422 VanDerWaalsContact O-N 3.15Å; Y420-A423 PolarHBondContact O-N 3.33Å; Y420-F424 HydrophobicContact CD1-CB 4.3Å; Y420-F424 HydrophobicContact CE1-CB 3.77Å; Y420-F424 HydrophobicContact CE1-CD2 4.06Å; Y420-F424 AromaticContact CE1-CG 4Å; Y420-F424 HydrophobicContact CE1-CG 4Å; Y420-F424 AromaticContact CZ-CD2 3.83Å; Y420-F424 WeakPolarHBondContact O-CB 3.49Å; Y420-F424 PolarHBondContact O-N 2.98Å; Y420-F424 VanDerWaalsContact OH-CD2 3.23Å; Y420-F424 WeakPolarHBondContact OH-CD2 3.42Å
421	E	97.4	Very high	96	Very high	49 Å²	49	24.4 Å²	24.4	23%	0.229	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-32.3	-177.1	-61.9	-70.4	89.1	0	0	111.6	Y314 L344 P417 F424 E425	Y314-E421 VanDerWaalsContact CB-CD 3.42Å; Y314-E421 VanDerWaalsContact CB-OE1 3.27Å; Y314-E421 WeakPolarHBondContact CB-OE1 3.48Å; Y314-E421 WeakPolarHBondContact CB-OE2 3.34Å; Y314-E421 PolarHBondContact N-OE1 3.47Å; L344-E421 HydrophobicContact CD1-CG 4.34Å; P417-E421 WeakPolarHBondContact O-CG 3.24Å; P417-E421 PolarHBondContact O-N 3.24Å; E421-F424 PolarHBondContact O-N 3.47Å; E421-E425 WeakPolarHBondContact O-CB 3.35Å; E421-E425 VanDerWaalsContact O-CG 3.29Å; E421-E425 WeakPolarHBondContact O-CG 3.23Å; E421-E425 PolarHBondContact O-N 3.21Å
422	K	96.1	Very high	95.5	Very high	72 Å²	72	24.8 Å²	24.8	31%	0.313	13%	0.132	S	C	.	.	H	α-helix	trans	-69.8	-36.1	176.3	-61.8	171.4	-169.1	167.6	0	113.5	D418 G419 Y420 N440	D418-K422 WeakPolarHBondContact O-CE 3.13Å; G419-K422 PolarHBondContact O-N 3.09Å; Y420-K422 PolarHBondContact O-N 2.43Å; Y420-K422 VanDerWaalsContact O-N 3.15Å; K422-N440 VanDerWaalsContact CE-OD1 3.3Å; K422-N440 WeakPolarHBondContact CE-OD1 3.31Å; K422-N440 PolarHBondContact NZ-OD1 3.02Å
423	A	96.7	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.3	-47.4	173.9	0	0	0	0	0	109.1	N374 G419 Y420 E425 A426 G427 S431 F609	N374-A423 HydrophobicContact CB-CB 4.11Å; G419-A423 PolarHBondContact O-N 3.02Å; Y420-A423 PolarHBondContact O-N 3.33Å; A423-E425 VanDerWaalsContact C-N 3.33Å; A423-E425 PolarHBondContact O-N 2.91Å; A423-A426 CarbonylContact O-C 3.17Å; A423-A426 WeakPolarHBondContact O-CA 3.35Å; A423-A426 WeakPolarHBondContact O-CB 3.48Å; A423-A426 PolarHBondContact O-N 2.84Å; A423-G427 PolarHBondContact O-N 3.5Å; A423-S431 WeakPolarHBondContact CA-OG 3.36Å; A423-S431 WeakPolarHBondContact CB-OG 3.44Å; A423-S431 PolarHBondContact O-OG 2.83Å; A423-F609 HydrophobicContact CB-CD1 4.06Å; A423-F609 HydrophobicContact CB-CE1 3.79Å
424	F	96.8	Very high	94.8	Very high	67 Å²	67	30.8 Å²	30.8	29%	0.294	16%	0.163	S	C	.	.	H	α-helix	trans	-59.7	-38.3	178.4	-178.2	-94.6	0	0	0	113	H311 Y420 E421 A426 G427	H311-F424 HydrophobicContact CB-CD2 4.07Å; H311-F424 HydrophobicContact CB-CE2 3.79Å; Y420-F424 HydrophobicContact CD1-CB 4.3Å; Y420-F424 HydrophobicContact CE1-CB 3.77Å; Y420-F424 HydrophobicContact CE1-CD2 4.06Å; Y420-F424 AromaticContact CE1-CG 4Å; Y420-F424 HydrophobicContact CE1-CG 4Å; Y420-F424 AromaticContact CZ-CD2 3.83Å; Y420-F424 WeakPolarHBondContact O-CB 3.49Å; Y420-F424 PolarHBondContact O-N 2.98Å; Y420-F424 VanDerWaalsContact OH-CD2 3.23Å; Y420-F424 WeakPolarHBondContact OH-CD2 3.42Å; E421-F424 PolarHBondContact O-N 3.47Å; F424-A426 VanDerWaalsContact C-N 3.25Å; F424-A426 PolarHBondContact O-N 3.38Å; F424-G427 PolarHBondContact O-N 3.21Å
425	E	95.7	Very high	94.6	Very high	170 Å²	170	34 Å²	34	79%	0.794	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.1	172.8	-79.8	179.5	176.5	0	0	113.9	E421 A423	E421-E425 WeakPolarHBondContact O-CB 3.35Å; E421-E425 VanDerWaalsContact O-CG 3.29Å; E421-E425 WeakPolarHBondContact O-CG 3.23Å; E421-E425 PolarHBondContact O-N 3.21Å; A423-E425 VanDerWaalsContact C-N 3.33Å; A423-E425 PolarHBondContact O-N 2.91Å
426	A	93.9	Very high	94.5	Very high	35 Å²	35	34.3 Å²	34.3	29%	0.289	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-31.4	174.5	0	0	0	0	0	113.1	A423 F424 L430 L435	A423-A426 CarbonylContact O-C 3.17Å; A423-A426 WeakPolarHBondContact O-CA 3.35Å; A423-A426 WeakPolarHBondContact O-CB 3.48Å; A423-A426 PolarHBondContact O-N 2.84Å; F424-A426 VanDerWaalsContact C-N 3.25Å; F424-A426 PolarHBondContact O-N 3.38Å; A426-L430 HydrophobicContact CB-CB 4.29Å; A426-L435 HydrophobicContact CB-CD2 3.54Å
427	G	92.4	Very high	94.4	Very high	22 Å²	22	36.1 Å²	36.1	23%	0.227	19%	0.19	C	C	.	.			trans	90	170.2	-174.5	0	0	0	0	0	113.7	A423 F424 L430 S431	A423-G427 PolarHBondContact O-N 3.5Å; F424-G427 PolarHBondContact O-N 3.21Å; G427-L430 PolarHBondContact O-N 3.01Å; G427-S431 PolarHBondContact O-N 3.35Å; G427-S431 VanDerWaalsContact O-N 3.12Å; G427-S431 PolarHBondContact O-OG 3.14Å
428	S	92.6	Very high	94.3	Very high	14 Å²	14	41 Å²	41	10%	0.098	21%	0.209	C	C	.	.	H	α-helix	trans	-52.4	-64.5	-178	24.5	0	0	0	0	112.5	L430 S431 F609	S428-L430 PolarHBondContact O-N 2.87Å; S428-S431 PolarHBondContact O-N 2.78Å; S428-F609 WeakPolarHBondContact CB-O 3.33Å
429	E	91.1	Very high	94.1	Very high	15 Å²	15	41.2 Å²	41.2	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-8.2	-174.2	-40.3	79	-111.6	0	0	115.2	P131 L161 V202 P250 R252 L284 H611	P131-E429 HydrophobicContact CB-CG 4.49Å; P131-E429 HydrophobicContact CG-CG 4.45Å; L161-E429 HydrophobicContact CD2-CB 4.3Å; V202-E429 HydrophobicContact CG1-CB 4.5Å; V202-E429 HydrophobicContact CG2-CB 3.97Å; V202-E429 HydrophobicContact CG2-CG 4.38Å; P250-E429 WeakPolarHBondContact CB-O 3.48Å; R252-E429 IonicContact NH1-OE2 2.96Å; R252-E429 PolarHBondContact NH1-OE2 3.16Å; L284-E429 HydrophobicContact CD2-CG 4.38Å; E429-H611 IonicContact OE1-CD2 3.19Å
430	L	93.6	Very high	93.7	Very high	54 Å²	54	43.9 Å²	43.9	28%	0.283	22%	0.224	S	C	.	.	H	α-helix	trans	-116	-15.4	-174.5	-63.3	-175.6	0	0	0	114.3	V202 P250 R252 A426 G427 S428	V202-L430 HydrophobicContact CG1-CD2 4.28Å; P250-L430 HydrophobicContact CB-CD2 3.94Å; R252-L430 HydrophobicContact CB-CD1 4.47Å; R252-L430 HydrophobicContact CB-CD2 3.84Å; A426-L430 HydrophobicContact CB-CB 4.29Å; G427-L430 PolarHBondContact O-N 3.01Å; S428-L430 PolarHBondContact O-N 2.87Å
431	S	87.9	Confident	93.3	Very high	4 Å²	4	49 Å²	49	3%	0.028	25%	0.252	C	S	.	.	H	α-helix	trans	-70.2	-46.5	-179.5	-68.2	0	0	0	0	112.6	A423 G427 S428 L435 F609	A423-S431 WeakPolarHBondContact CA-OG 3.36Å; A423-S431 WeakPolarHBondContact CB-OG 3.44Å; A423-S431 PolarHBondContact O-OG 2.83Å; G427-S431 PolarHBondContact O-N 3.35Å; G427-S431 VanDerWaalsContact O-N 3.12Å; G427-S431 PolarHBondContact O-OG 3.14Å; S428-S431 PolarHBondContact O-N 2.78Å; S431-L435 WeakPolarHBondContact O-CB 3.36Å; S431-F609 WeakPolarHBondContact OG-CD1 3.49Å
432	G	88.5	Confident	93.1	Very high	8 Å²	8	49.1 Å²	49.1	8%	0.082	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	-147.1	-177.2	0	0	0	0	0	113.6	N162 N374	N162-G432 VanDerWaalsContact OD1-CA 3.29Å; N162-G432 WeakPolarHBondContact OD1-CA 3.41Å; N374-G432 PolarHBondContact ND2-O 3.44Å
433	W	90.9	Very high	93	Very high	66 Å²	66	46.7 Å²	46.7	25%	0.25	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-21	-165.4	-78.7	68.2	0	0	0	115.8	N162 Q164 N374 G512 H564 K608	N162-W433 PolarHBondContact O-NE1 2.96Å; Q164-W433 HydrophobicContact CG-CD2 3.9Å; Q164-W433 HydrophobicContact CG-CE3 4.08Å; Q164-W433 HydrophobicContact CG-CH2 3.83Å; Q164-W433 HydrophobicContact CG-CZ2 3.65Å; Q164-W433 HydrophobicContact CG-CZ3 4.03Å; N374-W433 VanDerWaalsContact ND2-C 3.31Å; N374-W433 PolarHBondContact ND2-O 3.01Å; W433-G512 WeakPolarHBondContact CH2-O 3.16Å; W433-H564 AromaticContact CH2-CD2 3.86Å; W433-H564 AromaticContact CH2-NE2 3.66Å; W433-H564 AromaticContact CZ2-CD2 3.88Å; W433-H564 AromaticContact CZ2-NE2 3.27Å; W433-H564 VanDerWaalsContact CZ2-NE2 3.27Å; W433-H564 WeakPolarHBondContact CZ2-NE2 3.42Å; W433-K608 HydrophobicContact CD2-CD 4.34Å; W433-K608 HydrophobicContact CE3-CD 4.43Å; W433-K608 VanDerWaalsContact CE3-CE 3.46Å; W433-K608 VanDerWaalsContact CH2-CE 3.42Å
434	S	91.9	Very high	93	Very high	59 Å²	59	48.1 Å²	48.1	41%	0.413	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-35.6	-164.7	55.8	0	0	0	0	114.7	G436 R437 W438	S434-G436 PolarHBondContact O-N 3.07Å; S434-R437 PolarHBondContact O-N 2.96Å; S434-W438 WeakPolarHBondContact O-CZ3 3.16Å
435	L	94.5	Very high	93.1	Very high	71 Å²	71	45 Å²	45	37%	0.372	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	124.9	-179.8	-176.3	62.9	0	0	0	109.5	N374 A426 S431 R437	N374-L435 VanDerWaalsContact CB-O 3.31Å; N374-L435 WeakPolarHBondContact CB-O 3.42Å; A426-L435 HydrophobicContact CB-CD2 3.54Å; S431-L435 WeakPolarHBondContact O-CB 3.36Å; L435-R437 PolarHBondContact O-N 2.93Å
436	G	94.9	Very high	93.1	Very high	8 Å²	8	37 Å²	37	8%	0.082	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-2.4	179.8	0	0	0	0	0	116	G373 G419 S434	G373-G436 WeakPolarHBondContact CA-O 3.4Å; G373-G436 PolarHBondContact N-O 3.29Å; G419-G436 CarbonylContact C-O 3.59Å; G419-G436 WeakPolarHBondContact CA-O 3.47Å; G419-G436 WeakPolarHBondContact O-CA 3.21Å; S434-G436 PolarHBondContact O-N 3.07Å
437	R	96.1	Very high	93.1	Very high	37 Å²	37	38.1 Å²	38.1	14%	0.14	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-55.3	178.7	178.2	174.1	178.1	77.3	8.2	112.8	H372 G373 N374 E375 N416 S434 L435 D444	H372-R437 WeakPolarHBondContact CA-O 3.3Å; H372-R437 HydrophobicContact CB-CG 4.13Å; H372-R437 VanDerWaalsContact CD2-CZ 3.43Å; H372-R437 PolarHBondContact CD2-NH2 3.28Å; H372-R437 PolarHBondContact CE1-NH2 3.19Å; H372-R437 VanDerWaalsContact CG-NH1 3.28Å; H372-R437 PolarHBondContact ND1-NH1 2.69Å; H372-R437 PolarHBondContact NE2-NH2 3.33Å; G373-R437 PolarHBondContact N-O 2.85Å; N374-R437 WeakPolarHBondContact OD1-CA 3.25Å; N374-R437 WeakPolarHBondContact OD1-CB 3.42Å; E375-R437 IonicContact OE1-CZ 3.58Å; E375-R437 IonicContact OE1-NH1 2.69Å; E375-R437 PolarHBondContact OE1-NH1 2.78Å; N416-R437 PolarHBondContact ND2-O 3.45Å; S434-R437 PolarHBondContact O-N 2.96Å; L435-R437 PolarHBondContact O-N 2.93Å; R437-D444 IonicContact CZ-OD2 3.59Å; R437-D444 IonicContact NE-OD2 3.84Å; R437-D444 IonicContact NH2-OD2 3.25Å; R437-D444 PolarHBondContact NH2-OD2 3.02Å
438	W	96.3	Very high	93.4	Very high	104 Å²	104	38 Å²	38	39%	0.394	21%	0.207	S	C	.	.	S	Bend	trans	-90.7	173.6	-173.2	-59.7	-81.4	0	0	0	112.9	N416 S434 I443	N416-W438 PolarHBondContact ND2-O 3.33Å; N416-W438 VanDerWaalsContact ND2-O 3.14Å; S434-W438 WeakPolarHBondContact O-CZ3 3.16Å; W438-I443 WeakPolarHBondContact CA-O 3.49Å
439	T	94.3	Very high	93.6	Very high	7 Å²	7	37.7 Å²	37.7	4%	0.043	20%	0.204	C	C	.	.			trans	-66	173.6	164.4	65.7	0	0	0	0	111.4	D441 G442 I443 I445 A488	T439-D441 PolarHBondContact O-N 2.85Å; T439-D441 PolarHBondContact OG1-N 3.15Å; T439-G442 PolarHBondContact O-N 3.04Å; T439-I443 HydrophobicContact CG2-CB 4.41Å; T439-I443 PolarHBondContact N-O 3.04Å; T439-I443 WeakPolarHBondContact OG1-CB 3.41Å; T439-I443 PolarHBondContact OG1-N 3.13Å; T439-I443 VanDerWaalsContact OG1-N 3.1Å; T439-I445 HydrophobicContact CG2-CD1 3.53Å; T439-I445 HydrophobicContact CG2-CG1 3.76Å; T439-A488 HydrophobicContact CG2-CB 4.04Å
440	N	88.1	Confident	93.9	Very high	56 Å²	56	37.1 Å²	37.1	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-27	175.2	-36.2	-85.4	0	0	0	112.4	Q341 N342 D418 K422 G442	Q341-N440 PolarHBondContact OE1-ND2 3.31Å; N342-N440 PolarHBondContact ND2-OD1 2.73Å; D418-N440 PolarHBondContact OD2-ND2 3.21Å; K422-N440 VanDerWaalsContact CE-OD1 3.3Å; K422-N440 WeakPolarHBondContact CE-OD1 3.31Å; K422-N440 PolarHBondContact NZ-OD1 3.02Å; N440-G442 PolarHBondContact O-N 3.38Å
441	D	89.3	Confident	94	Very high	110 Å²	110	36.7 Å²	36.7	59%	0.588	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	1	172.5	-65.8	-24.8	0	0	0	113.8	Q341 T439 I443	Q341-D441 PolarHBondContact NE2-OD1 3.42Å; Q341-D441 PolarHBondContact NE2-OD2 3.08Å; Q341-D441 VanDerWaalsContact NE2-OD2 3.12Å; T439-D441 PolarHBondContact O-N 2.85Å; T439-D441 PolarHBondContact OG1-N 3.15Å; D441-I443 HydrophobicContact CB-CD1 4.37Å; D441-I443 HydrophobicContact CB-CG1 4.31Å
442	G	93.3	Very high	94.4	Very high	52 Å²	52	36.5 Å²	36.5	54%	0.536	20%	0.198	S	C	.	.			trans	77.8	19.1	179.7	0	0	0	0	0	114.9	T439 N440	T439-G442 PolarHBondContact O-N 3.04Å; N440-G442 PolarHBondContact O-N 3.38Å
443	I	95.3	Very high	94.8	Very high	21 Å²	21	36.2 Å²	36.2	11%	0.108	20%	0.195	C	C	.	.			trans	-86.4	134.8	179.4	-58	177.2	0	0	0	110.1	W438 T439 D441 N448 A488	W438-I443 WeakPolarHBondContact CA-O 3.49Å; T439-I443 HydrophobicContact CG2-CB 4.41Å; T439-I443 PolarHBondContact N-O 3.04Å; T439-I443 WeakPolarHBondContact OG1-CB 3.41Å; T439-I443 PolarHBondContact OG1-N 3.13Å; T439-I443 VanDerWaalsContact OG1-N 3.1Å; D441-I443 HydrophobicContact CB-CD1 4.37Å; D441-I443 HydrophobicContact CB-CG1 4.31Å; I443-N448 HydrophobicContact CG2-CB 3.75Å; I443-N448 VanDerWaalsContact CG2-CG 3.43Å; I443-N448 WeakPolarHBondContact CG2-ND2 3.49Å; I443-A488 HydrophobicContact CB-CB 4.42Å; I443-A488 HydrophobicContact CD1-CB 4.23Å; I443-A488 HydrophobicContact CG2-CB 4.16Å
444	D	96.6	Very high	95	Very high	31 Å²	31	35.1 Å²	35.1	17%	0.166	20%	0.197	C	C	.	.			trans	-86.8	107.9	169.6	-177.4	-51.7	0	0	0	108	H372 R437 H446 H447 N448	H372-D444 IonicContact NE2-OD1 2.81Å; H372-D444 PolarHBondContact NE2-OD1 2.69Å; H372-D444 IonicContact NE2-OD2 3.23Å; H372-D444 PolarHBondContact NE2-OD2 3.02Å; R437-D444 IonicContact CZ-OD2 3.59Å; R437-D444 IonicContact NE-OD2 3.84Å; R437-D444 IonicContact NH2-OD2 3.25Å; R437-D444 PolarHBondContact NH2-OD2 3.02Å; D444-H446 VanDerWaalsContact C-N 3.31Å; D444-H446 PolarHBondContact O-N 3.15Å; D444-H446 WeakPolarHBondContact OD1-CB 3.18Å; D444-H446 PolarHBondContact OD1-N 2.88Å; D444-H446 VanDerWaalsContact OD1-N 3.14Å; D444-H447 HydrophobicContact CB-CB 4.48Å; D444-H447 CarbonylContact O-C 3.57Å; D444-H447 PolarHBondContact O-N 2.84Å; D444-H447 IonicContact OD1-CE1 2.77Å; D444-H447 IonicContact OD1-CG 3.77Å; D444-H447 PolarHBondContact OD1-N 3.23Å; D444-H447 VanDerWaalsContact OD1-N 3.13Å; D444-H447 IonicContact OD1-ND1 2.76Å; D444-H447 PolarHBondContact OD1-ND1 3.03Å; D444-H447 IonicContact OD2-CE1 3.12Å; D444-H447 IonicContact OD2-ND1 3.36Å; D444-H447 PolarHBondContact OD2-ND1 2.81Å; D444-N448 VanDerWaalsContact O-CB 3.26Å; D444-N448 WeakPolarHBondContact O-CB 3.48Å; D444-N448 PolarHBondContact O-N 3.5Å
445	I	97.2	Very high	95.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-66.2	-34.1	-173.2	-69.7	156.2	0	0	0	111.7	V415 N416 T439 H447 N448 F449 A488 E490 L494	V415-I445 HydrophobicContact CG1-CD1 4.3Å; V415-I445 HydrophobicContact CG1-CG2 3.77Å; N416-I445 HydrophobicContact CB-CD1 3.8Å; T439-I445 HydrophobicContact CG2-CD1 3.53Å; T439-I445 HydrophobicContact CG2-CG1 3.76Å; I445-H447 PolarHBondContact O-N 3.4Å; I445-N448 PolarHBondContact O-N 2.64Å; I445-F449 WeakPolarHBondContact O-CE2 3.31Å; I445-A488 HydrophobicContact CG1-CB 4.22Å; I445-E490 HydrophobicContact CD1-CB 3.61Å; I445-E490 HydrophobicContact CD1-CG 3.83Å; I445-E490 HydrophobicContact CG1-CB 4.15Å; I445-L494 HydrophobicContact CG2-CD1 4.16Å
446	H	95.9	Very high	95.2	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.014	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.6	179.1	-173.8	-104.2	0	0	0	111.5	D444 N508 Q510 S586 M587 N588 S601	D444-H446 VanDerWaalsContact C-N 3.31Å; D444-H446 PolarHBondContact O-N 3.15Å; D444-H446 WeakPolarHBondContact OD1-CB 3.18Å; D444-H446 PolarHBondContact OD1-N 2.88Å; D444-H446 VanDerWaalsContact OD1-N 3.14Å; H446-N508 PolarHBondContact CD2-ND2 3.09Å; H446-N508 PolarHBondContact NE2-ND2 3.43Å; H446-Q510 PolarHBondContact NE2-NE2 3.36Å; H446-S586 CarbonylContact O-C 3.59Å; H446-S586 VanDerWaalsContact O-CA 3.24Å; H446-S586 WeakPolarHBondContact O-CA 3.32Å; H446-M587 PolarHBondContact O-N 3.24Å; H446-N588 PolarHBondContact NE2-ND2 2.95Å; H446-S601 PolarHBondContact NE2-OG 3.32Å
447	H	95.6	Very high	95.2	Very high	57 Å²	57	32.2 Å²	32.2	26%	0.264	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	21.8	-176.9	-54.9	109.6	0	0	0	114.1	D444 I445 G585	D444-H447 HydrophobicContact CB-CB 4.48Å; D444-H447 CarbonylContact O-C 3.57Å; D444-H447 PolarHBondContact O-N 2.84Å; D444-H447 IonicContact OD1-CE1 2.77Å; D444-H447 IonicContact OD1-CG 3.77Å; D444-H447 PolarHBondContact OD1-N 3.23Å; D444-H447 VanDerWaalsContact OD1-N 3.13Å; D444-H447 IonicContact OD1-ND1 2.76Å; D444-H447 PolarHBondContact OD1-ND1 3.03Å; D444-H447 IonicContact OD2-CE1 3.12Å; D444-H447 IonicContact OD2-ND1 3.36Å; D444-H447 PolarHBondContact OD2-ND1 2.81Å; I445-H447 PolarHBondContact O-N 3.4Å; H447-G585 CarbonylContact C-O 3.52Å; H447-G585 WeakPolarHBondContact CA-O 3.27Å
448	N	96.8	Very high	95.1	Very high	21 Å²	21	35.3 Å²	35.3	11%	0.112	19%	0.189	C	C	.	.			trans	-106.7	1.9	-176.5	-172.5	-126.6	0	0	0	114.6	I443 D444 I445 Y480 S486 V487 A488 T491 G585	I443-N448 HydrophobicContact CG2-CB 3.75Å; I443-N448 VanDerWaalsContact CG2-CG 3.43Å; I443-N448 WeakPolarHBondContact CG2-ND2 3.49Å; D444-N448 VanDerWaalsContact O-CB 3.26Å; D444-N448 WeakPolarHBondContact O-CB 3.48Å; D444-N448 PolarHBondContact O-N 3.5Å; I445-N448 PolarHBondContact O-N 2.64Å; N448-Y480 WeakPolarHBondContact O-CE2 3.42Å; N448-Y480 PolarHBondContact O-OH 3.09Å; N448-S486 PolarHBondContact ND2-O 2.94Å; N448-V487 VanDerWaalsContact OD1-CA 3.29Å; N448-V487 WeakPolarHBondContact OD1-CA 3.5Å; N448-V487 WeakPolarHBondContact OD1-CG1 3.45Å; N448-A488 PolarHBondContact OD1-N 2.82Å; N448-T491 HydrophobicContact CB-CG2 4.17Å; N448-T491 WeakPolarHBondContact OD1-CB 3.46Å; N448-T491 PolarHBondContact OD1-OG1 2.94Å; N448-G585 PolarHBondContact N-O 3.1Å
449	F	97.6	Very high	95	Very high	7 Å²	7	30.4 Å²	30.4	3%	0.031	17%	0.17	C	C	.	.	S	Bend	trans	-72.8	161	178.2	-71.3	-95.5	0	0	0	111.5	I445 D451 Y480 T491 L494 I495 M498 G585 M587 F590	I445-F449 WeakPolarHBondContact O-CE2 3.31Å; F449-D451 PolarHBondContact O-N 3.48Å; F449-Y480 WeakPolarHBondContact CA-OH 3.42Å; F449-T491 HydrophobicContact CD1-CG2 4.09Å; F449-T491 HydrophobicContact CD2-CG2 4.02Å; F449-T491 HydrophobicContact CE1-CG2 4.05Å; F449-T491 HydrophobicContact CE2-CG2 3.95Å; F449-T491 HydrophobicContact CG-CG2 4.08Å; F449-T491 HydrophobicContact CZ-CG2 3.97Å; F449-L494 HydrophobicContact CE1-CB 4.26Å; F449-L494 HydrophobicContact CZ-CB 3.94Å; F449-L494 HydrophobicContact CZ-CD1 3.88Å; F449-I495 HydrophobicContact CD1-CD1 3.98Å; F449-I495 HydrophobicContact CD1-CG1 3.69Å; F449-I495 HydrophobicContact CE1-CD1 4.28Å; F449-I495 HydrophobicContact CE1-CG1 3.59Å; F449-M498 HydrophobicContact CE1-CE 3.79Å; F449-M498 HydrophobicContact CE1-SD 3.95Å; F449-M498 HydrophobicContact CZ-CE 3.87Å; F449-G585 WeakPolarHBondContact CB-O 3.15Å; F449-G585 PolarHBondContact N-O 2.79Å; F449-G585 WeakPolarHBondContact O-CA 3.39Å; F449-M587 HydrophobicContact CD2-CB 3.83Å; F449-M587 HydrophobicContact CD2-CG 4.28Å; F449-M587 HydrophobicContact CE1-CG 4.28Å; F449-M587 HydrophobicContact CE2-CB 3.54Å; F449-M587 HydrophobicContact CE2-CG 3.63Å; F449-M587 HydrophobicContact CE2-SD 3.9Å; F449-M587 HydrophobicContact CZ-CB 4.08Å; F449-M587 HydrophobicContact CZ-CG 3.63Å; F449-M587 HydrophobicContact CZ-SD 3.73Å; F449-F590 HydrophobicContact CB-CB 3.7Å; F449-F590 HydrophobicContact CB-CD2 4.41Å; F449-F590 HydrophobicContact CB-CG 4.02Å; F449-F590 HydrophobicContact CD1-CB 3.89Å; F449-F590 AromaticContact CD1-CD1 3.42Å; F449-F590 HydrophobicContact CD1-CD1 3.42Å; F449-F590 VanDerWaalsContact CD1-CD1 3.42Å; F449-F590 HydrophobicContact CD1-CD2 4.31Å; F449-F590 HydrophobicContact CD1-CE1 4.03Å; F449-F590 AromaticContact CD1-CG 3.58Å; F449-F590 HydrophobicContact CD1-CG 3.58Å; F449-F590 AromaticContact CE1-CD1 3.88Å; F449-F590 HydrophobicContact CE1-CD1 3.88Å; F449-F590 HydrophobicContact CE1-CE1 4.31Å; F449-F590 HydrophobicContact CE1-CG 4.46Å; F449-F590 HydrophobicContact CG-CB 3.99Å; F449-F590 HydrophobicContact CG-CD1 4.36Å; F449-F590 HydrophobicContact CG-CG 4.14Å
450	P	96.9	Very high	95	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.013	18%	0.184	C	C	.	.			trans	-68.3	137	178.8	28.4	-33.3	0	0	0	110.9	L452 T476 Y480 F590	P450-L452 VanDerWaalsContact C-N 3.34Å; P450-L452 HydrophobicContact CB-CD2 4.24Å; P450-L452 HydrophobicContact CG-CD2 4.23Å; P450-L452 HydrophobicContact CG-CG 4.39Å; P450-L452 PolarHBondContact O-N 3.21Å; P450-T476 HydrophobicContact CG-CG2 4.19Å; P450-Y480 HydrophobicContact CB-CD1 4.35Å; P450-Y480 HydrophobicContact CB-CD2 3.8Å; P450-Y480 HydrophobicContact CB-CE1 4.47Å; P450-Y480 HydrophobicContact CB-CE2 3.93Å; P450-Y480 HydrophobicContact CB-CG 4.03Å; P450-Y480 HydrophobicContact CG-CD1 4.45Å; P450-Y480 HydrophobicContact CG-CE1 4.29Å; P450-Y480 HydrophobicContact CG-CE2 4.42Å; P450-F590 HydrophobicContact CG-CD2 3.51Å; P450-F590 HydrophobicContact CG-CE2 3.47Å; P450-F590 VanDerWaalsContact CG-CE2 3.47Å
451	D	95.4	Very high	95.2	Very high	46 Å²	46	34.6 Å²	34.6	25%	0.246	20%	0.202	C	C	.	.			trans	-70.2	81.8	177.2	171.6	37.4	0	0	0	111.9	F449 N453 S454 R522	F449-D451 PolarHBondContact O-N 3.48Å; D451-N453 VanDerWaalsContact C-N 3.34Å; D451-S454 PolarHBondContact OD1-N 3.28Å; D451-S454 PolarHBondContact OD1-OG 3.43Å; D451-S454 WeakPolarHBondContact OD2-CB 3.25Å; D451-S454 PolarHBondContact OD2-OG 2.92Å; D451-R522 IonicContact OD1-CZ 3.8Å; D451-R522 IonicContact OD1-NH1 2.72Å; D451-R522 PolarHBondContact OD1-NH1 2.91Å; D451-R522 IonicContact OD2-CZ 3.91Å; D451-R522 IonicContact OD2-NH1 3.63Å; D451-R522 PolarHBondContact OD2-NH1 3.36Å
452	L	97.3	Very high	95.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-77.5	-20.4	178.6	-57	-175	0	0	0	112.4	P450 I455 L456 I474 F590 L593 H594	P450-L452 VanDerWaalsContact C-N 3.34Å; P450-L452 HydrophobicContact CB-CD2 4.24Å; P450-L452 HydrophobicContact CG-CD2 4.23Å; P450-L452 HydrophobicContact CG-CG 4.39Å; P450-L452 PolarHBondContact O-N 3.21Å; L452-I455 HydrophobicContact CD2-CD1 4.01Å; L452-I455 WeakPolarHBondContact O-CB 3.48Å; L452-I455 PolarHBondContact O-N 2.91Å; L452-L456 PolarHBondContact O-N 3.4Å; L452-I474 HydrophobicContact CD1-CB 4.32Å; L452-I474 HydrophobicContact CD2-CG2 4.15Å; L452-F590 HydrophobicContact CD1-CD2 3.66Å; L452-F590 HydrophobicContact CD1-CE2 3.94Å; L452-F590 HydrophobicContact CG-CD2 4.23Å; L452-L593 HydrophobicContact CB-CB 3.85Å; L452-L593 HydrophobicContact CB-CD1 3.72Å; L452-L593 HydrophobicContact CB-CG 4.44Å; L452-L593 HydrophobicContact CD1-CB 3.92Å; L452-H594 HydrophobicContact CD1-CB 3.72Å
453	N	96.8	Very high	95.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.011	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-50.6	178.7	-54	66.1	0	0	0	111.8	D451 I455 L456 W457 Y520 R522 D589 L593	D451-N453 VanDerWaalsContact C-N 3.34Å; N453-I455 PolarHBondContact O-N 3.3Å; N453-L456 PolarHBondContact O-N 2.9Å; N453-W457 HydrophobicContact CB-CD2 4.48Å; N453-W457 HydrophobicContact CB-CE3 4.29Å; N453-W457 HydrophobicContact CB-CH2 3.82Å; N453-W457 HydrophobicContact CB-CZ2 3.99Å; N453-W457 HydrophobicContact CB-CZ3 3.97Å; N453-W457 VanDerWaalsContact O-CD2 3.31Å; N453-W457 VanDerWaalsContact O-CG 3.3Å; N453-W457 PolarHBondContact O-N 3.34Å; N453-Y520 WeakPolarHBondContact ND2-CD1 3.42Å; N453-R522 HydrophobicContact CB-CB 4.37Å; N453-D589 PolarHBondContact ND2-OD2 3.33Å; N453-L593 HydrophobicContact CB-CD1 4.49Å
454	S	94.9	Very high	95.3	Very high	42 Å²	42	42.5 Å²	42.5	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-58	-38.8	176.3	-63.9	0	0	0	0	111.9	D451 E458 R522	D451-S454 PolarHBondContact OD1-N 3.28Å; D451-S454 PolarHBondContact OD1-OG 3.43Å; D451-S454 WeakPolarHBondContact OD2-CB 3.25Å; D451-S454 PolarHBondContact OD2-OG 2.92Å; S454-E458 WeakPolarHBondContact O-CB 3.03Å; S454-E458 PolarHBondContact O-N 3.43Å; S454-R522 PolarHBondContact OG-NH1 2.97Å; S454-R522 VanDerWaalsContact OG-NH1 3.09Å; S454-R522 PolarHBondContact OG-NH2 3.39Å
455	I	95.2	Very high	94.9	Very high	46 Å²	46	43.1 Å²	43.1	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-67.8	-44.5	-179.3	-56.7	176.1	0	0	0	110.4	L452 N453 A459 M469 I474 P477	L452-I455 HydrophobicContact CD2-CD1 4.01Å; L452-I455 WeakPolarHBondContact O-CB 3.48Å; L452-I455 PolarHBondContact O-N 2.91Å; N453-I455 PolarHBondContact O-N 3.3Å; I455-A459 WeakPolarHBondContact O-CB 3.04Å; I455-A459 PolarHBondContact O-N 3.06Å; I455-A459 VanDerWaalsContact O-N 3.08Å; I455-M469 HydrophobicContact CG2-CE 3.57Å; I455-M469 HydrophobicContact CG2-SD 3.96Å; I455-I474 HydrophobicContact CB-CG2 4.2Å; I455-I474 HydrophobicContact CG2-CG2 3.7Å; I455-P477 HydrophobicContact CD1-CG 3.68Å
456	L	95.8	Very high	94.1	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-56.3	174.3	179.1	67.3	0	0	0	111	L452 N453 E458 A459 E460 I465 I474 Y520 L593	L452-L456 PolarHBondContact O-N 3.4Å; N453-L456 PolarHBondContact O-N 2.9Å; L456-E458 VanDerWaalsContact C-N 3.33Å; L456-E458 PolarHBondContact O-N 3.14Å; L456-A459 CarbonylContact O-C 3.53Å; L456-A459 WeakPolarHBondContact O-CB 3.33Å; L456-A459 PolarHBondContact O-N 3.16Å; L456-A459 VanDerWaalsContact O-N 3.09Å; L456-E460 HydrophobicContact CD1-CG 4.47Å; L456-E460 HydrophobicContact CG-CG 4.47Å; L456-E460 WeakPolarHBondContact O-CG 3.33Å; L456-E460 PolarHBondContact O-N 3.49Å; L456-I465 HydrophobicContact CD1-CD1 3.63Å; L456-I474 HydrophobicContact CB-CD1 3.68Å; L456-I474 HydrophobicContact CD1-CD1 4.04Å; L456-I474 HydrophobicContact CG-CD1 4.37Å; L456-Y520 WeakPolarHBondContact CD2-OH 3.3Å; L456-L593 HydrophobicContact CD2-CD2 3.85Å
457	W	95.3	Very high	93.3	Very high	25 Å²	25	57.8 Å²	57.8	10%	0.095	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-31.3	-172.7	-56.8	-29.3	0	0	0	112.6	N453 A461 Y520 R522 T523 R524 T533	N453-W457 HydrophobicContact CB-CD2 4.48Å; N453-W457 HydrophobicContact CB-CE3 4.29Å; N453-W457 HydrophobicContact CB-CH2 3.82Å; N453-W457 HydrophobicContact CB-CZ2 3.99Å; N453-W457 HydrophobicContact CB-CZ3 3.97Å; N453-W457 VanDerWaalsContact O-CD2 3.31Å; N453-W457 VanDerWaalsContact O-CG 3.3Å; N453-W457 PolarHBondContact O-N 3.34Å; W457-A461 WeakPolarHBondContact O-CB 3.39Å; W457-A461 PolarHBondContact O-N 3.14Å; W457-Y520 HydrophobicContact CZ2-CD2 4.41Å; W457-R522 HydrophobicContact CH2-CB 4.08Å; W457-R522 HydrophobicContact CH2-CG 4.17Å; W457-R522 WeakPolarHBondContact CH2-O 3.29Å; W457-R522 HydrophobicContact CZ3-CG 4.29Å; W457-T523 WeakPolarHBondContact CH2-O 3.33Å; W457-T523 VanDerWaalsContact CZ3-O 3.28Å; W457-T523 WeakPolarHBondContact CZ3-O 3.49Å; W457-R524 HydrophobicContact CD2-CG 4.14Å; W457-R524 HydrophobicContact CE3-CG 4.29Å; W457-R524 HydrophobicContact CH2-CB 4.19Å; W457-R524 HydrophobicContact CZ2-CB 4.3Å; W457-R524 HydrophobicContact CZ2-CG 4.45Å; W457-R524 HydrophobicContact CZ3-CB 4.38Å; W457-R524 HydrophobicContact CZ3-CG 4.5Å; W457-T533 HydrophobicContact CH2-CG2 4.28Å; W457-T533 HydrophobicContact CZ2-CG2 3.92Å
458	E	93.9	Very high	92.8	Very high	102 Å²	102	62.4 Å²	62.4	48%	0.477	30%	0.302	S	S	.	.	H	α-helix	trans	-66.7	-40.6	170.9	-161.6	-166.5	-148.3	0	0	111.4	S454 L456 A461 K462	S454-E458 WeakPolarHBondContact O-CB 3.03Å; S454-E458 PolarHBondContact O-N 3.43Å; L456-E458 VanDerWaalsContact C-N 3.33Å; L456-E458 PolarHBondContact O-N 3.14Å; E458-A461 PolarHBondContact O-N 3.2Å; E458-K462 VanDerWaalsContact CD-CE 3.49Å; E458-K462 HydrophobicContact CG-CD 4.09Å; E458-K462 WeakPolarHBondContact O-CB 3.34Å; E458-K462 VanDerWaalsContact O-CG 3.27Å; E458-K462 WeakPolarHBondContact O-CG 3.24Å; E458-K462 PolarHBondContact O-N 3.37Å; E458-K462 WeakPolarHBondContact OE1-CE 3.39Å; E458-K462 IonicContact OE1-NZ 3.11Å; E458-K462 PolarHBondContact OE1-NZ 2.84Å; E458-K462 IonicContact OE2-NZ 3.4Å; E458-K462 PolarHBondContact OE2-NZ 3.24Å
459	A	94.1	Very high	92.5	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.008	31%	0.306	C	S	.	.	H	α-helix	trans	-67.9	-36.7	175.4	0	0	0	0	0	112.8	I455 L456 K463 W464 I465 M469	I455-A459 WeakPolarHBondContact O-CB 3.04Å; I455-A459 PolarHBondContact O-N 3.06Å; I455-A459 VanDerWaalsContact O-N 3.08Å; L456-A459 CarbonylContact O-C 3.53Å; L456-A459 WeakPolarHBondContact O-CB 3.33Å; L456-A459 PolarHBondContact O-N 3.16Å; L456-A459 VanDerWaalsContact O-N 3.09Å; A459-K463 PolarHBondContact O-N 2.85Å; A459-K463 VanDerWaalsContact O-N 3.13Å; A459-W464 HydrophobicContact CB-CB 4.15Å; A459-W464 HydrophobicContact CB-CE3 4.39Å; A459-W464 WeakPolarHBondContact O-CB 3.18Å; A459-W464 PolarHBondContact O-N 3.42Å; A459-I465 HydrophobicContact CB-CD1 4.3Å; A459-I465 HydrophobicContact CB-CG1 4.22Å; A459-M469 HydrophobicContact CB-CB 4.46Å; A459-M469 HydrophobicContact CB-CE 4.01Å; A459-M469 HydrophobicContact CB-SD 3.5Å; A459-M469 VanDerWaalsContact CB-SD 3.5Å
460	E	93.7	Very high	92.2	Very high	71 Å²	71	66.5 Å²	66.5	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-53.1	170.8	-73.3	179.8	168	0	0	111.2	L456 K462 K463 I465 R524	L456-E460 HydrophobicContact CD1-CG 4.47Å; L456-E460 HydrophobicContact CG-CG 4.47Å; L456-E460 WeakPolarHBondContact O-CG 3.33Å; L456-E460 PolarHBondContact O-N 3.49Å; E460-K462 VanDerWaalsContact C-N 3.29Å; E460-K462 PolarHBondContact O-N 3.13Å; E460-K463 WeakPolarHBondContact O-CA 3.14Å; E460-K463 PolarHBondContact O-N 3.47Å; E460-I465 HydrophobicContact CG-CD1 3.83Å; E460-R524 IonicContact OE2-CZ 3.41Å; E460-R524 VanDerWaalsContact OE2-CZ 3.28Å; E460-R524 IonicContact OE2-NH1 3.61Å; E460-R524 PolarHBondContact OE2-NH1 3.3Å; E460-R524 IonicContact OE2-NH2 2.66Å; E460-R524 PolarHBondContact OE2-NH2 3.18Å
461	A	93.4	Very high	92	Very high	81 Å²	81	67.4 Å²	67.4	67%	0.669	32%	0.324	S	S	*	.	H	α-helix	trans	-59	-39.9	-179.7	0	0	0	0	0	112.2	W457 E458 K463	W457-A461 WeakPolarHBondContact O-CB 3.39Å; W457-A461 PolarHBondContact O-N 3.14Å; E458-A461 PolarHBondContact O-N 3.2Å; A461-K463 PolarHBondContact O-N 3.03Å
462	K	94.6	Very high	92	Very high	91 Å²	91	65.2 Å²	65.2	40%	0.396	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1.1	175.6	-64	175.4	-175.2	168.9	0	113.8	E458 E460 W464	E458-K462 VanDerWaalsContact CD-CE 3.49Å; E458-K462 HydrophobicContact CG-CD 4.09Å; E458-K462 WeakPolarHBondContact O-CB 3.34Å; E458-K462 VanDerWaalsContact O-CG 3.27Å; E458-K462 WeakPolarHBondContact O-CG 3.24Å; E458-K462 PolarHBondContact O-N 3.37Å; E458-K462 WeakPolarHBondContact OE1-CE 3.39Å; E458-K462 IonicContact OE1-NZ 3.11Å; E458-K462 PolarHBondContact OE1-NZ 2.84Å; E458-K462 IonicContact OE2-NZ 3.4Å; E458-K462 PolarHBondContact OE2-NZ 3.24Å; E460-K462 VanDerWaalsContact C-N 3.29Å; E460-K462 PolarHBondContact O-N 3.13Å; K462-W464 VanDerWaalsContact C-N 3.29Å; K462-W464 HydrophobicContact CB-CD2 3.92Å; K462-W464 HydrophobicContact CB-CG 3.96Å; K462-W464 HydrophobicContact CB-CZ2 4.32Å; K462-W464 HydrophobicContact CD-CD2 4.23Å; K462-W464 HydrophobicContact CD-CE3 4.35Å; K462-W464 HydrophobicContact CD-CH2 3.68Å; K462-W464 HydrophobicContact CD-CZ2 3.5Å; K462-W464 HydrophobicContact CD-CZ3 4.09Å; K462-W464 HydrophobicContact CG-CZ2 4.49Å; K462-W464 PolarHBondContact O-N 2.88Å
463	K	92.9	Very high	92	Very high	177 Å²	177	67.3 Å²	67.3	77%	0.77	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	42.3	-178.4	-58	-177.2	-178.8	-179.6	0	112.9	A459 E460 A461	A459-K463 PolarHBondContact O-N 2.85Å; A459-K463 VanDerWaalsContact O-N 3.13Å; E460-K463 WeakPolarHBondContact O-CA 3.14Å; E460-K463 PolarHBondContact O-N 3.47Å; A461-K463 PolarHBondContact O-N 3.03Å
464	W	91.8	Very high	92	Very high	80 Å²	80	67.2 Å²	67.2	30%	0.303	32%	0.322	S	S	.	.			trans	-87.2	-19	-179	-74.5	2.7	0	0	0	113.5	A459 K462 R467 K468 M469	A459-W464 HydrophobicContact CB-CB 4.15Å; A459-W464 HydrophobicContact CB-CE3 4.39Å; A459-W464 WeakPolarHBondContact O-CB 3.18Å; A459-W464 PolarHBondContact O-N 3.42Å; K462-W464 VanDerWaalsContact C-N 3.29Å; K462-W464 HydrophobicContact CB-CD2 3.92Å; K462-W464 HydrophobicContact CB-CG 3.96Å; K462-W464 HydrophobicContact CB-CZ2 4.32Å; K462-W464 HydrophobicContact CD-CD2 4.23Å; K462-W464 HydrophobicContact CD-CE3 4.35Å; K462-W464 HydrophobicContact CD-CH2 3.68Å; K462-W464 HydrophobicContact CD-CZ2 3.5Å; K462-W464 HydrophobicContact CD-CZ3 4.09Å; K462-W464 HydrophobicContact CG-CZ2 4.49Å; K462-W464 PolarHBondContact O-N 2.88Å; W464-R467 CarbonylContact O-C 3.44Å; W464-R467 WeakPolarHBondContact O-CA 3.46Å; W464-R467 PolarHBondContact O-N 3.49Å; W464-K468 HydrophobicContact CB-CB 4.16Å; W464-K468 HydrophobicContact CB-CD 4.46Å; W464-K468 HydrophobicContact CD2-CD 4.03Å; W464-K468 HydrophobicContact CG-CB 4.4Å; W464-K468 HydrophobicContact CG-CD 3.87Å; W464-K468 PolarHBondContact O-N 3.12Å; W464-M469 PolarHBondContact O-N 3Å
465	I	88.5	Confident	92	Very high	44 Å²	44	69.5 Å²	69.5	23%	0.226	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	137.5	177.3	-59.8	169.6	0	0	0	110	L456 A459 E460 R467 M469 N471	L456-I465 HydrophobicContact CD1-CD1 3.63Å; A459-I465 HydrophobicContact CB-CD1 4.3Å; A459-I465 HydrophobicContact CB-CG1 4.22Å; E460-I465 HydrophobicContact CG-CD1 3.83Å; I465-R467 VanDerWaalsContact C-N 3.33Å; I465-M469 WeakPolarHBondContact CA-O 3Å; I465-N471 HydrophobicContact CG2-CB 4.17Å
466	P	79.6	Confident	91.9	Very high	87 Å²	87	68.1 Å²	68.1	57%	0.565	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90	19.5	-10.3	38.4	-36.4	0	0	0	112.9	M469	P466-M469 CarbonylContact C-O 3.48Å; P466-M469 VanDerWaalsContact CA-O 3.31Å; P466-M469 WeakPolarHBondContact CA-O 3.43Å
467	R	80.1	Confident	91.8	Very high	225 Å²	225	68.9 Å²	68.9	85%	0.849	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-22.6	-166.4	-68.9	-177.5	175.2	175.5	-0.3	115.6	W464 I465	W464-R467 CarbonylContact O-C 3.44Å; W464-R467 WeakPolarHBondContact O-CA 3.46Å; W464-R467 PolarHBondContact O-N 3.49Å; I465-R467 VanDerWaalsContact C-N 3.33Å
468	K	84.6	Confident	91.6	Very high	155 Å²	155	76 Å²	76	67%	0.674	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	-22.5	179.7	-63.6	-171.9	-178.5	-178.4	0	113.3	W464	W464-K468 HydrophobicContact CB-CB 4.16Å; W464-K468 HydrophobicContact CB-CD 4.46Å; W464-K468 HydrophobicContact CD2-CD 4.03Å; W464-K468 HydrophobicContact CG-CB 4.4Å; W464-K468 HydrophobicContact CG-CD 3.87Å; W464-K468 PolarHBondContact O-N 3.12Å
469	M	89.6	Confident	91.4	Very high	40 Å²	40	79 Å²	79	20%	0.197	38%	0.376	C	S	.	.	S	Bend	trans	-144.2	153.9	-179.4	-169.2	-175.4	-72.6	0	0	107.8	I455 A459 W464 I465 P466 I474	I455-M469 HydrophobicContact CG2-CE 3.57Å; I455-M469 HydrophobicContact CG2-SD 3.96Å; A459-M469 HydrophobicContact CB-CB 4.46Å; A459-M469 HydrophobicContact CB-CE 4.01Å; A459-M469 HydrophobicContact CB-SD 3.5Å; A459-M469 VanDerWaalsContact CB-SD 3.5Å; W464-M469 PolarHBondContact O-N 3Å; I465-M469 WeakPolarHBondContact CA-O 3Å; P466-M469 CarbonylContact C-O 3.48Å; P466-M469 VanDerWaalsContact CA-O 3.31Å; P466-M469 WeakPolarHBondContact CA-O 3.43Å; M469-I474 HydrophobicContact SD-CG2 4.45Å
470	F	92.4	Very high	91.3	Very high	74 Å²	74	79.3 Å²	79.3	33%	0.325	38%	0.377	S	S	.	.			trans	-95.5	164.9	173.1	-60.3	-58.5	0	0	0	111.6	H472 I653	F470-H472 AromaticContact CG-CE1 3.85Å; F470-H472 PolarHBondContact O-N 3.45Å; F470-I653 HydrophobicContact CE1-CD1 4.5Å; F470-I653 HydrophobicContact CZ-CD1 4.4Å
471	N	93	Very high	91.1	Very high	21 Å²	21	81 Å²	81	11%	0.112	39%	0.388	C	S	.	.	S	Bend	trans	-82.8	9.1	173.1	56	-12.7	0	0	0	113.8	I465 G660 H661 D662	I465-N471 HydrophobicContact CG2-CB 4.17Å; N471-G660 VanDerWaalsContact CB-O 3.22Å; N471-G660 WeakPolarHBondContact CB-O 3.44Å; N471-G660 VanDerWaalsContact ND2-C 3.31Å; N471-G660 PolarHBondContact ND2-O 3Å; N471-H661 VanDerWaalsContact ND2-CA 3.32Å; N471-H661 WeakPolarHBondContact ND2-CA 3.24Å; N471-H661 PolarHBondContact ND2-N 3.15Å; N471-H661 PolarHBondContact O-ND1 2.91Å; N471-D662 PolarHBondContact ND2-N 2.87Å; N471-D662 PolarHBondContact ND2-OD1 2.79Å; N471-D662 PolarHBondContact OD1-OD1 2.87Å
472	H	95.6	Very high	91	Very high	0 Å²	0	79.4 Å²	79.4	0%	0	37%	0.372	C	S	.	.	S	Bend	trans	-157.2	154.4	-172.9	67	-84.7	0	0	0	109	F470 I474 D662 R664	F470-H472 AromaticContact CG-CE1 3.85Å; F470-H472 PolarHBondContact O-N 3.45Å; H472-I474 VanDerWaalsContact C-N 3.31Å; H472-I474 PolarHBondContact O-N 2.68Å; H472-D662 WeakPolarHBondContact CB-O 3.41Å; H472-D662 IonicContact CE1-OD2 3.49Å; H472-D662 VanDerWaalsContact CG-O 3.26Å; H472-D662 WeakPolarHBondContact ND1-CB 3.29Å; H472-D662 IonicContact ND1-OD2 2.76Å; H472-R664 PolarHBondContact CD2-NE 2.92Å; H472-R664 PolarHBondContact NE2-NE 3.47Å; H472-R664 PolarHBondContact NE2-NH2 3.36Å
473	H	96.9	Very high	90.3	Very high	43 Å²	43	82.5 Å²	82.5	20%	0.199	39%	0.393	C	S	.	.	S	Bend	trans	48.9	54.1	-178.6	-62.1	37.1	0	0	0	111.8	L593 H594 T595 N596	H473-L593 WeakPolarHBondContact CA-O 3.37Å; H473-L593 PolarHBondContact N-O 3.04Å; H473-H594 VanDerWaalsContact CA-O 3.3Å; H473-H594 WeakPolarHBondContact CA-O 3.27Å; H473-T595 PolarHBondContact CE1-O 2.67Å; H473-T595 PolarHBondContact ND1-O 2.8Å; H473-N596 PolarHBondContact CE1-OD1 3.28Å; H473-N596 VanDerWaalsContact CE1-OD1 3.27Å
474	I	96.6	Very high	89.8	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.005	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-68.1	121.7	176.6	-57.2	178.3	0	0	0	107.5	L452 I455 L456 M469 H472 T476 L593 H594	L452-I474 HydrophobicContact CD1-CB 4.32Å; L452-I474 HydrophobicContact CD2-CG2 4.15Å; I455-I474 HydrophobicContact CB-CG2 4.2Å; I455-I474 HydrophobicContact CG2-CG2 3.7Å; L456-I474 HydrophobicContact CB-CD1 3.68Å; L456-I474 HydrophobicContact CD1-CD1 4.04Å; L456-I474 HydrophobicContact CG-CD1 4.37Å; M469-I474 HydrophobicContact SD-CG2 4.45Å; H472-I474 VanDerWaalsContact C-N 3.31Å; H472-I474 PolarHBondContact O-N 2.68Å; I474-T476 PolarHBondContact O-N 2.93Å; I474-L593 HydrophobicContact CD1-CB 4.34Å; I474-L593 HydrophobicContact CD1-CD2 4.17Å; I474-L593 PolarHBondContact N-O 3.44Å; I474-H594 PolarHBondContact O-ND1 3.03Å
475	P	94.4	Very high	89.6	Confident	90 Å²	90	78.6 Å²	78.6	58%	0.584	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-66.3	137.2	-171.7	26.4	-34.7	0	0	0	111.9
476	T	94	Very high	89.8	Confident	16 Å²	16	81 Å²	81	10%	0.098	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-56.7	128.3	174.3	-62.2	0	0	0	0	110.2	P450 I474 Y480 L481 H594	P450-T476 HydrophobicContact CG-CG2 4.19Å; I474-T476 PolarHBondContact O-N 2.93Å; T476-Y480 HydrophobicContact CG2-CD1 3.63Å; T476-Y480 HydrophobicContact CG2-CE1 4.4Å; T476-Y480 HydrophobicContact CG2-CG 4.22Å; T476-L481 HydrophobicContact CG2-CD2 3.68Å; T476-L481 HydrophobicContact CG2-CG 4.09Å; T476-H594 PolarHBondContact OG1-CE1 3.48Å; T476-H594 VanDerWaalsContact OG1-CE1 3.23Å
477	P	93.2	Very high	90.5	Very high	22 Å²	22	77.6 Å²	77.6	14%	0.143	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-61	140.3	-177.1	-26.9	35.9	0	0	0	113.8	I455 W479 Y480 L481	I455-P477 HydrophobicContact CD1-CG 3.68Å; P477-W479 VanDerWaalsContact CB-CD1 3.49Å; P477-W479 HydrophobicContact CB-CD2 4.37Å; P477-W479 HydrophobicContact CB-CG 4.16Å; P477-W479 VanDerWaalsContact CB-NE1 3.26Å; P477-W479 PolarHBondContact O-N 3.32Å; P477-W479 VanDerWaalsContact O-N 3.14Å; P477-Y480 WeakPolarHBondContact O-CB 3.43Å; P477-Y480 PolarHBondContact O-N 3.02Å; P477-L481 PolarHBondContact O-N 3.5Å
478	E	90.9	Very high	91.2	Very high	174 Å²	174	67.1 Å²	67.1	81%	0.813	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-34.7	179.8	-173.9	176.9	-167.3	0	0	113	Y480 L481 S482	E478-Y480 VanDerWaalsContact C-N 3.3Å; E478-Y480 PolarHBondContact O-N 3.46Å; E478-L481 PolarHBondContact O-N 3.14Å; E478-S482 PolarHBondContact O-N 2.56Å
479	W	89.8	Confident	91.7	Very high	165 Å²	165	64.3 Å²	64.3	63%	0.625	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-34	176	66.8	-103	0	0	0	112.8	P477 S482 A485	P477-W479 VanDerWaalsContact CB-CD1 3.49Å; P477-W479 HydrophobicContact CB-CD2 4.37Å; P477-W479 HydrophobicContact CB-CG 4.16Å; P477-W479 VanDerWaalsContact CB-NE1 3.26Å; P477-W479 PolarHBondContact O-N 3.32Å; P477-W479 VanDerWaalsContact O-N 3.14Å; W479-S482 VanDerWaalsContact O-CB 3.31Å; W479-S482 WeakPolarHBondContact O-CB 3.41Å; W479-S482 PolarHBondContact O-N 2.03Å; W479-S482 PolarHBondContact O-OG 3.3Å; W479-A485 WeakPolarHBondContact O-CB 3.33Å
480	Y	92.3	Very high	92.1	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.035	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-32.1	-179.4	-172.3	-83.1	0	0	0	111.5	N448 F449 P450 T476 P477 E478 S482 V487 T491 R492 I495	N448-Y480 WeakPolarHBondContact O-CE2 3.42Å; N448-Y480 PolarHBondContact O-OH 3.09Å; F449-Y480 WeakPolarHBondContact CA-OH 3.42Å; P450-Y480 HydrophobicContact CB-CD1 4.35Å; P450-Y480 HydrophobicContact CB-CD2 3.8Å; P450-Y480 HydrophobicContact CB-CE1 4.47Å; P450-Y480 HydrophobicContact CB-CE2 3.93Å; P450-Y480 HydrophobicContact CB-CG 4.03Å; P450-Y480 HydrophobicContact CG-CD1 4.45Å; P450-Y480 HydrophobicContact CG-CE1 4.29Å; P450-Y480 HydrophobicContact CG-CE2 4.42Å; T476-Y480 HydrophobicContact CG2-CD1 3.63Å; T476-Y480 HydrophobicContact CG2-CE1 4.4Å; T476-Y480 HydrophobicContact CG2-CG 4.22Å; P477-Y480 WeakPolarHBondContact O-CB 3.43Å; P477-Y480 PolarHBondContact O-N 3.02Å; E478-Y480 VanDerWaalsContact C-N 3.3Å; E478-Y480 PolarHBondContact O-N 3.46Å; Y480-S482 PolarHBondContact O-N 2.85Å; Y480-V487 HydrophobicContact CD1-CG2 4.3Å; Y480-V487 HydrophobicContact CD2-CG2 3.81Å; Y480-V487 HydrophobicContact CE1-CG1 3.9Å; Y480-V487 HydrophobicContact CE1-CG2 3.95Å; Y480-V487 HydrophobicContact CE2-CG1 4.3Å; Y480-V487 HydrophobicContact CE2-CG2 3.42Å; Y480-V487 VanDerWaalsContact CE2-CG2 3.42Å; Y480-V487 HydrophobicContact CG-CG2 4.23Å; Y480-V487 VanDerWaalsContact CZ-CG2 3.49Å; Y480-V487 WeakPolarHBondContact OH-CG1 3.42Å; Y480-T491 WeakPolarHBondContact OH-CG2 3.35Å; Y480-R492 PolarHBondContact O-NH1 2.79Å; Y480-I495 HydrophobicContact CE1-CD1 3.59Å
481	L	89.5	Confident	92.3	Very high	105 Å²	105	59 Å²	59	55%	0.55	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.9	171.6	-58.7	179.8	0	0	0	113	T476 P477 E478	T476-L481 HydrophobicContact CG2-CD2 3.68Å; T476-L481 HydrophobicContact CG2-CG 4.09Å; P477-L481 PolarHBondContact O-N 3.5Å; E478-L481 PolarHBondContact O-N 3.14Å
482	S	89.9	Confident	92.5	Very high	48 Å²	48	61.2 Å²	61.2	34%	0.336	32%	0.323	S	S	.	.	S	Bend	trans	-70.4	145.5	178.1	80.7	0	0	0	0	112.7	E478 W479 Y480 N484 A485 R492	E478-S482 PolarHBondContact O-N 2.56Å; W479-S482 VanDerWaalsContact O-CB 3.31Å; W479-S482 WeakPolarHBondContact O-CB 3.41Å; W479-S482 PolarHBondContact O-N 2.03Å; W479-S482 PolarHBondContact O-OG 3.3Å; Y480-S482 PolarHBondContact O-N 2.85Å; S482-N484 PolarHBondContact O-N 2.87Å; S482-N484 VanDerWaalsContact O-N 3.14Å; S482-A485 WeakPolarHBondContact O-CB 3.28Å; S482-A485 PolarHBondContact O-N 3.28Å; S482-A485 VanDerWaalsContact O-N 3.16Å; S482-A485 PolarHBondContact OG-N 3.03Å; S482-R492 PolarHBondContact O-NH2 3.21Å
483	N	81.3	Confident	92.6	Very high	156 Å²	156	61.6 Å²	61.6	83%	0.834	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.8	175.5	-66.6	-11.7	0	0	0	113.5
484	N	82.1	Confident	92.6	Very high	158 Å²	158	59.6 Å²	59.6	85%	0.845	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.5	-179	-63.8	4.4	0	0	0	112.6	S482	S482-N484 PolarHBondContact O-N 2.87Å; S482-N484 VanDerWaalsContact O-N 3.14Å
485	A	88.1	Confident	92.7	Very high	18 Å²	18	60.1 Å²	60.1	15%	0.149	32%	0.319	C	S	.	.	S	Bend	trans	-74.9	136.4	175.2	0	0	0	0	0	111	W479 S482 V487 R492	W479-A485 WeakPolarHBondContact O-CB 3.33Å; S482-A485 WeakPolarHBondContact O-CB 3.28Å; S482-A485 PolarHBondContact O-N 3.28Å; S482-A485 VanDerWaalsContact O-N 3.16Å; S482-A485 PolarHBondContact OG-N 3.03Å; A485-V487 HydrophobicContact CB-CG2 3.95Å; A485-V487 PolarHBondContact O-N 2.85Å; A485-R492 PolarHBondContact O-NH2 3.16Å
486	S	91.4	Very high	92.9	Very high	94 Å²	94	58.4 Å²	58.4	66%	0.657	31%	0.313	S	S	*	.			trans	-71.4	69.4	179.7	-172.7	0	0	0	0	111.9	N448	N448-S486 PolarHBondContact ND2-O 2.94Å
487	V	94.8	Very high	93.1	Very high	15 Å²	15	57.9 Å²	57.9	9%	0.091	31%	0.309	C	S	.	.			trans	-127.4	122	-175.6	-174.7	0	0	0	0	109.1	N448 Y480 A485 T491 R492	N448-V487 VanDerWaalsContact OD1-CA 3.29Å; N448-V487 WeakPolarHBondContact OD1-CA 3.5Å; N448-V487 WeakPolarHBondContact OD1-CG1 3.45Å; Y480-V487 HydrophobicContact CD1-CG2 4.3Å; Y480-V487 HydrophobicContact CD2-CG2 3.81Å; Y480-V487 HydrophobicContact CE1-CG1 3.9Å; Y480-V487 HydrophobicContact CE1-CG2 3.95Å; Y480-V487 HydrophobicContact CE2-CG1 4.3Å; Y480-V487 HydrophobicContact CE2-CG2 3.42Å; Y480-V487 VanDerWaalsContact CE2-CG2 3.42Å; Y480-V487 HydrophobicContact CG-CG2 4.23Å; Y480-V487 VanDerWaalsContact CZ-CG2 3.49Å; Y480-V487 WeakPolarHBondContact OH-CG1 3.42Å; A485-V487 HydrophobicContact CB-CG2 3.95Å; A485-V487 PolarHBondContact O-N 2.85Å; V487-T491 HydrophobicContact CG1-CG2 4.06Å; V487-R492 HydrophobicContact CB-CG 4.34Å; V487-R492 HydrophobicContact CG1-CG 3.65Å
488	A	95.2	Very high	93.3	Very high	6 Å²	6	57.1 Å²	57.1	5%	0.05	30%	0.304	C	S	.	.			trans	-64.3	153.4	-177.7	0	0	0	0	0	112	T439 I443 I445 N448 E490 T491 R492	T439-A488 HydrophobicContact CG2-CB 4.04Å; I443-A488 HydrophobicContact CB-CB 4.42Å; I443-A488 HydrophobicContact CD1-CB 4.23Å; I443-A488 HydrophobicContact CG2-CB 4.16Å; I445-A488 HydrophobicContact CG1-CB 4.22Å; N448-A488 PolarHBondContact OD1-N 2.82Å; A488-E490 WeakPolarHBondContact CB-OE2 3.48Å; A488-E490 PolarHBondContact O-N 3.13Å; A488-T491 WeakPolarHBondContact O-CB 3.49Å; A488-T491 PolarHBondContact O-N 3.22Å; A488-R492 WeakPolarHBondContact O-CG 3.47Å; A488-R492 PolarHBondContact O-N 2.75Å
489	L	95.2	Very high	93.5	Very high	95 Å²	95	54 Å²	54	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-67.2	-33.5	-177.5	-60	-177	0	0	0	111.2	K339 R492 A493	K339-L489 WeakPolarHBondContact O-CB 3.28Å; L489-R492 PolarHBondContact O-N 3.13Å; L489-A493 WeakPolarHBondContact O-CB 3.49Å; L489-A493 PolarHBondContact O-N 2.99Å
490	E	97.3	Very high	93.8	Very high	2 Å²	2	53 Å²	53	1%	0.009	29%	0.29	C	S	.	.	H	α-helix	trans	-58.7	-51.2	171.8	-58.7	80.4	178.6	0	0	110.3	S340 Q341 L346 V415 I445 A488 R492 A493 L494	S340-E490 WeakPolarHBondContact CA-OE1 3.31Å; S340-E490 WeakPolarHBondContact CB-OE1 3Å; Q341-E490 PolarHBondContact N-OE1 3.18Å; Q341-E490 VanDerWaalsContact N-OE1 3.15Å; L346-E490 HydrophobicContact CD1-CG 4.47Å; L346-E490 HydrophobicContact CD2-CB 4.29Å; L346-E490 HydrophobicContact CD2-CG 4.46Å; V415-E490 HydrophobicContact CG1-CB 4.46Å; V415-E490 WeakPolarHBondContact O-CG 3.3Å; I445-E490 HydrophobicContact CD1-CB 3.61Å; I445-E490 HydrophobicContact CD1-CG 3.83Å; I445-E490 HydrophobicContact CG1-CB 4.15Å; A488-E490 WeakPolarHBondContact CB-OE2 3.48Å; A488-E490 PolarHBondContact O-N 3.13Å; E490-R492 PolarHBondContact O-N 3.06Å; E490-A493 PolarHBondContact O-N 3.22Å; E490-L494 WeakPolarHBondContact O-CG 3.27Å; E490-L494 PolarHBondContact O-N 2.89Å
491	T	97.4	Very high	94	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-45.6	175.4	-41.6	0	0	0	0	111.8	N448 F449 Y480 V487 A488 A493 L494 I495	N448-T491 HydrophobicContact CB-CG2 4.17Å; N448-T491 WeakPolarHBondContact OD1-CB 3.46Å; N448-T491 PolarHBondContact OD1-OG1 2.94Å; F449-T491 HydrophobicContact CD1-CG2 4.09Å; F449-T491 HydrophobicContact CD2-CG2 4.02Å; F449-T491 HydrophobicContact CE1-CG2 4.05Å; F449-T491 HydrophobicContact CE2-CG2 3.95Å; F449-T491 HydrophobicContact CG-CG2 4.08Å; F449-T491 HydrophobicContact CZ-CG2 3.97Å; Y480-T491 WeakPolarHBondContact OH-CG2 3.35Å; V487-T491 HydrophobicContact CG1-CG2 4.06Å; A488-T491 WeakPolarHBondContact O-CB 3.49Å; A488-T491 PolarHBondContact O-N 3.22Å; T491-A493 VanDerWaalsContact C-N 3.3Å; T491-A493 PolarHBondContact O-N 2.81Å; T491-L494 PolarHBondContact O-N 3.09Å; T491-I495 HydrophobicContact CG2-CD1 4.23Å; T491-I495 WeakPolarHBondContact O-CG1 3.09Å; T491-I495 PolarHBondContact O-N 3.5Å
492	R	96.2	Very high	94.4	Very high	68 Å²	68	49.9 Å²	49.9	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-35.1	178	-64.2	-173.5	-171.4	-93.4	12.3	112.1	Y480 S482 A485 V487 A488 L489 E490 A496	Y480-R492 PolarHBondContact O-NH1 2.79Å; S482-R492 PolarHBondContact O-NH2 3.21Å; A485-R492 PolarHBondContact O-NH2 3.16Å; V487-R492 HydrophobicContact CB-CG 4.34Å; V487-R492 HydrophobicContact CG1-CG 3.65Å; A488-R492 WeakPolarHBondContact O-CG 3.47Å; A488-R492 PolarHBondContact O-N 2.75Å; L489-R492 PolarHBondContact O-N 3.13Å; E490-R492 PolarHBondContact O-N 3.06Å; R492-A496 WeakPolarHBondContact O-CB 3.47Å; R492-A496 PolarHBondContact O-N 2.75Å; R492-A496 VanDerWaalsContact O-N 3.1Å
493	A	97.5	Very high	94.8	Very high	9 Å²	9	47.8 Å²	47.8	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-38.1	174.7	0	0	0	0	0	112.7	I337 L346 L489 E490 T491 W497	I337-A493 HydrophobicContact CG1-CB 4.48Å; L346-A493 HydrophobicContact CD2-CB 4.43Å; L489-A493 WeakPolarHBondContact O-CB 3.49Å; L489-A493 PolarHBondContact O-N 2.99Å; E490-A493 PolarHBondContact O-N 3.22Å; T491-A493 VanDerWaalsContact C-N 3.3Å; T491-A493 PolarHBondContact O-N 2.81Å; A493-W497 WeakPolarHBondContact O-CB 3.46Å; A493-W497 PolarHBondContact O-N 3.18Å; A493-W497 VanDerWaalsContact O-N 3.12Å
494	L	98.2	Very high	95.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-47.6	173.7	-75	174.9	0	0	0	111.6	I337 L412 V415 I445 F449 E490 T491 A496 W497 M498 M587	I337-L494 HydrophobicContact CD1-CD2 3.97Å; L412-L494 HydrophobicContact CD2-CD2 3.68Å; V415-L494 HydrophobicContact CG1-CD1 3.73Å; V415-L494 HydrophobicContact CG2-CD1 4.25Å; V415-L494 HydrophobicContact CG2-CD2 4.28Å; I445-L494 HydrophobicContact CG2-CD1 4.16Å; F449-L494 HydrophobicContact CE1-CB 4.26Å; F449-L494 HydrophobicContact CZ-CB 3.94Å; F449-L494 HydrophobicContact CZ-CD1 3.88Å; E490-L494 WeakPolarHBondContact O-CG 3.27Å; E490-L494 PolarHBondContact O-N 2.89Å; T491-L494 PolarHBondContact O-N 3.09Å; L494-A496 PolarHBondContact O-N 3.21Å; L494-W497 HydrophobicContact CD2-CE3 3.78Å; L494-W497 HydrophobicContact CD2-CZ3 3.92Å; L494-W497 WeakPolarHBondContact O-CB 3.45Å; L494-W497 PolarHBondContact O-N 3.21Å; L494-W497 VanDerWaalsContact O-N 3.11Å; L494-M498 HydrophobicContact CB-CE 4.03Å; L494-M498 VanDerWaalsContact O-CG 3.24Å; L494-M498 WeakPolarHBondContact O-CG 3.42Å; L494-M498 PolarHBondContact O-N 3.01Å; L494-M587 HydrophobicContact CD1-SD 3.94Å
495	I	97.8	Very high	96.4	Very high	12 Å²	12	33.2 Å²	33.2	6%	0.062	18%	0.182	C	C	.	.	H	α-helix	trans	-57.9	-51.4	176.5	-65.9	168.9	0	0	0	110.5	F449 Y480 T491 W497 M498 E499 F590	F449-I495 HydrophobicContact CD1-CD1 3.98Å; F449-I495 HydrophobicContact CD1-CG1 3.69Å; F449-I495 HydrophobicContact CE1-CD1 4.28Å; F449-I495 HydrophobicContact CE1-CG1 3.59Å; Y480-I495 HydrophobicContact CE1-CD1 3.59Å; T491-I495 HydrophobicContact CG2-CD1 4.23Å; T491-I495 WeakPolarHBondContact O-CG1 3.09Å; T491-I495 PolarHBondContact O-N 3.5Å; I495-W497 PolarHBondContact O-N 3.44Å; I495-W497 VanDerWaalsContact O-N 3.1Å; I495-M498 PolarHBondContact O-N 3.26Å; I495-M498 VanDerWaalsContact O-N 3.17Å; I495-E499 HydrophobicContact CG2-CG 4.28Å; I495-E499 WeakPolarHBondContact O-CB 3.31Å; I495-E499 WeakPolarHBondContact O-CG 3.36Å; I495-E499 PolarHBondContact O-N 2.91Å; I495-F590 HydrophobicContact CB-CE1 4.4Å; I495-F590 HydrophobicContact CB-CZ 4.36Å; I495-F590 HydrophobicContact CD1-CZ 4.39Å; I495-F590 HydrophobicContact CG1-CE1 3.82Å; I495-F590 HydrophobicContact CG1-CZ 3.87Å; I495-F590 HydrophobicContact CG2-CE1 4.32Å; I495-F590 HydrophobicContact CG2-CZ 3.86Å
496	A	97.8	Very high	96.9	Very high	54 Å²	54	32.3 Å²	32.3	45%	0.446	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-15.7	179.3	0	0	0	0	0	114.2	R492 L494 K500	R492-A496 WeakPolarHBondContact O-CB 3.47Å; R492-A496 PolarHBondContact O-N 2.75Å; R492-A496 VanDerWaalsContact O-N 3.1Å; L494-A496 PolarHBondContact O-N 3.21Å; A496-K500 WeakPolarHBondContact O-CB 3.32Å
497	W	98.3	Very high	97.2	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.019	14%	0.144	C	C	.	.	H	α-helix	trans	-88.2	-43.2	172.8	175.6	48.4	0	0	0	111.9	Y335 I337 V348 R366 T368 H410 L412 A493 L494 I495 E499 K500 M501 F503	Y335-W497 AromaticContact CE2-NE1 3.98Å; Y335-W497 AromaticContact CZ-NE1 3.85Å; Y335-W497 PolarHBondContact OH-NE1 2.9Å; I337-W497 HydrophobicContact CB-CB 4.2Å; I337-W497 HydrophobicContact CB-CG 4.33Å; I337-W497 HydrophobicContact CD1-CB 4.33Å; I337-W497 HydrophobicContact CD1-CD2 4.15Å; I337-W497 HydrophobicContact CD1-CE3 3.9Å; I337-W497 HydrophobicContact CD1-CG 4.38Å; I337-W497 HydrophobicContact CG2-CB 3.93Å; I337-W497 HydrophobicContact CG2-CD2 3.96Å; I337-W497 HydrophobicContact CG2-CG 3.56Å; V348-W497 HydrophobicContact CG1-CZ2 4.21Å; V348-W497 HydrophobicContact CG2-CZ2 4.17Å; R366-W497 HydrophobicContact CB-CH2 4.11Å; R366-W497 HydrophobicContact CB-CZ2 4.41Å; T368-W497 HydrophobicContact CG2-CH2 3.99Å; T368-W497 HydrophobicContact CG2-CZ3 3.68Å; H410-W497 HydrophobicContact CB-CZ2 3.87Å; L412-W497 HydrophobicContact CB-CH2 4.11Å; L412-W497 HydrophobicContact CB-CZ3 4.44Å; L412-W497 HydrophobicContact CD2-CE3 4.32Å; L412-W497 HydrophobicContact CD2-CH2 4.19Å; L412-W497 HydrophobicContact CD2-CZ3 3.71Å; A493-W497 WeakPolarHBondContact O-CB 3.46Å; A493-W497 PolarHBondContact O-N 3.18Å; A493-W497 VanDerWaalsContact O-N 3.12Å; L494-W497 HydrophobicContact CD2-CE3 3.78Å; L494-W497 HydrophobicContact CD2-CZ3 3.92Å; L494-W497 WeakPolarHBondContact O-CB 3.45Å; L494-W497 PolarHBondContact O-N 3.21Å; L494-W497 VanDerWaalsContact O-N 3.11Å; I495-W497 PolarHBondContact O-N 3.44Å; I495-W497 VanDerWaalsContact O-N 3.1Å; W497-E499 VanDerWaalsContact C-N 3.32Å; W497-E499 PolarHBondContact O-N 3.33Å; W497-K500 PolarHBondContact O-N 2.77Å; W497-K500 VanDerWaalsContact O-N 3.1Å; W497-M501 PolarHBondContact O-N 2.56Å; W497-F503 HydrophobicContact CD2-CE2 4.12Å; W497-F503 HydrophobicContact CD2-CZ 4.33Å; W497-F503 AromaticContact CE2-CE2 3.8Å; W497-F503 AromaticContact CE2-CZ 3.55Å; W497-F503 HydrophobicContact CG-CE2 4.38Å; W497-F503 HydrophobicContact CH2-CZ 4.42Å; W497-F503 HydrophobicContact CZ2-CE2 4.18Å; W497-F503 AromaticContact CZ2-CZ 3.62Å; W497-F503 HydrophobicContact CZ2-CZ 3.62Å; W497-F503 AromaticContact NE1-CE2 3.85Å; W497-F503 AromaticContact NE1-CZ 3.58Å
498	M	97.9	Very high	97.4	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.03	14%	0.139	C	C	.	.	H	α-helix	trans	-61.4	-36.6	172.4	-66.4	161.9	-175.5	0	0	112.4	F449 L494 I495 K500 M587 F590 T595	F449-M498 HydrophobicContact CE1-CE 3.79Å; F449-M498 HydrophobicContact CE1-SD 3.95Å; F449-M498 HydrophobicContact CZ-CE 3.87Å; L494-M498 HydrophobicContact CB-CE 4.03Å; L494-M498 VanDerWaalsContact O-CG 3.24Å; L494-M498 WeakPolarHBondContact O-CG 3.42Å; L494-M498 PolarHBondContact O-N 3.01Å; I495-M498 PolarHBondContact O-N 3.26Å; I495-M498 VanDerWaalsContact O-N 3.17Å; M498-K500 VanDerWaalsContact C-N 3.27Å; M498-K500 PolarHBondContact O-N 2.72Å; M498-M587 HydrophobicContact CE-CG 3.6Å; M498-M587 HydrophobicContact CE-SD 3.63Å; M498-F590 HydrophobicContact SD-CD1 3.71Å; M498-F590 HydrophobicContact SD-CE1 3.64Å; M498-T595 HydrophobicContact CB-CG2 4.16Å
499	E	96.2	Very high	97.5	Very high	109 Å²	109	26.9 Å²	26.9	51%	0.509	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.9	174.2	-73.7	175.8	171.2	0	0	113.1	I495 W497 H594	I495-E499 HydrophobicContact CG2-CG 4.28Å; I495-E499 WeakPolarHBondContact O-CB 3.31Å; I495-E499 WeakPolarHBondContact O-CG 3.36Å; I495-E499 PolarHBondContact O-N 2.91Å; W497-E499 VanDerWaalsContact C-N 3.32Å; W497-E499 PolarHBondContact O-N 3.33Å; E499-H594 IonicContact OE1-NE2 3.49Å; E499-H594 PolarHBondContact OE1-NE2 2.76Å
500	K	95.9	Very high	97.7	Very high	145 Å²	145	22.5 Å²	22.5	63%	0.63	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-39.2	-169.7	-177.7	-170.9	170.2	-163.4	0	113.9	A496 W497 M498	A496-K500 WeakPolarHBondContact O-CB 3.32Å; W497-K500 PolarHBondContact O-N 2.77Å; W497-K500 VanDerWaalsContact O-N 3.1Å; M498-K500 VanDerWaalsContact C-N 3.27Å; M498-K500 PolarHBondContact O-N 2.72Å
501	M	96.3	Very high	97.6	Very high	16 Å²	16	22.4 Å²	22.4	8%	0.079	11%	0.114	C	C	.	.	S	Bend	trans	-106.7	138	-177.6	-39.7	-62.6	-97.1	0	0	109.2	H410 W497 F503	H410-M501 WeakPolarHBondContact CE1-CE 3.5Å; W497-M501 PolarHBondContact O-N 2.56Å; M501-F503 HydrophobicContact CB-CD2 3.97Å; M501-F503 HydrophobicContact CB-CE1 4.21Å; M501-F503 HydrophobicContact CB-CE2 3.62Å; M501-F503 HydrophobicContact CB-CG 4.43Å; M501-F503 HydrophobicContact CB-CZ 3.74Å; M501-F503 HydrophobicContact CG-CE2 3.9Å; M501-F503 HydrophobicContact CG-CZ 3.88Å; M501-F503 PolarHBondContact O-N 2.68Å
502	P	97	Very high	97.4	Very high	31 Å²	31	22.6 Å²	22.6	20%	0.201	12%	0.116	C	C	.	.			trans	-76.7	58.3	-177.9	31.5	-35.4	0	0	0	112.9	E364 A666 W672	E364-P502 HydrophobicContact CG-CG 3.77Å; P502-A666 HydrophobicContact CB-CB 3.78Å; P502-A666 HydrophobicContact CG-CB 4.01Å; P502-W672 HydrophobicContact CB-CZ3 4.37Å
503	F	98.6	Very high	97.4	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.022	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	135.7	-179.7	-69.6	-60.5	0	0	0	112.9	E364 R366 H410 W497 M501 N596 C597	E364-F503 HydrophobicContact CB-CD1 3.78Å; E364-F503 HydrophobicContact CB-CE1 4.27Å; R366-F503 HydrophobicContact CB-CD1 4Å; R366-F503 HydrophobicContact CB-CE1 3.68Å; R366-F503 HydrophobicContact CB-CZ 4.15Å; R366-F503 HydrophobicContact CG-CD1 3.99Å; R366-F503 HydrophobicContact CG-CE1 4.12Å; R366-F503 HydrophobicContact CG-CG 4.32Å; H410-F503 HydrophobicContact CB-CE1 4.27Å; H410-F503 HydrophobicContact CB-CZ 4.43Å; H410-F503 AromaticContact CD2-CE1 3.6Å; W497-F503 HydrophobicContact CD2-CE2 4.12Å; W497-F503 HydrophobicContact CD2-CZ 4.33Å; W497-F503 AromaticContact CE2-CE2 3.8Å; W497-F503 AromaticContact CE2-CZ 3.55Å; W497-F503 HydrophobicContact CG-CE2 4.38Å; W497-F503 HydrophobicContact CH2-CZ 4.42Å; W497-F503 HydrophobicContact CZ2-CE2 4.18Å; W497-F503 AromaticContact CZ2-CZ 3.62Å; W497-F503 HydrophobicContact CZ2-CZ 3.62Å; W497-F503 AromaticContact NE1-CE2 3.85Å; W497-F503 AromaticContact NE1-CZ 3.58Å; M501-F503 HydrophobicContact CB-CD2 3.97Å; M501-F503 HydrophobicContact CB-CE1 4.21Å; M501-F503 HydrophobicContact CB-CE2 3.62Å; M501-F503 HydrophobicContact CB-CG 4.43Å; M501-F503 HydrophobicContact CB-CZ 3.74Å; M501-F503 HydrophobicContact CG-CE2 3.9Å; M501-F503 HydrophobicContact CG-CZ 3.88Å; M501-F503 PolarHBondContact O-N 2.68Å; F503-N596 CarbonylContact O-C 3.56Å; F503-C597 HydrophobicContact CB-CB 3.64Å; F503-C597 WeakPolarHBondContact O-CA 3.24Å; F503-C597 WeakPolarHBondContact O-CB 3.38Å; F503-C597 PolarHBondContact O-N 2.97Å
504	V	98.7	Very high	97.3	Very high	7 Å²	7	19.8 Å²	19.8	4%	0.042	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-46.7	-176.7	-179.6	0	0	0	0	111.2	P363 E364 F598 V633 W672 L674	P363-V504 HydrophobicContact CB-CB 4.4Å; P363-V504 HydrophobicContact CB-CG2 3.99Å; E364-V504 PolarHBondContact O-N 2.72Å; V504-F598 PolarHBondContact O-N 2.93Å; V504-V633 HydrophobicContact CB-CG2 3.74Å; V504-V633 HydrophobicContact CG1-CG2 3.81Å; V504-W672 HydrophobicContact CB-CB 4.39Å; V504-W672 HydrophobicContact CG1-CB 3.66Å; V504-W672 HydrophobicContact CG1-CG 4.32Å; V504-W672 HydrophobicContact CG2-CB 3.75Å; V504-W672 HydrophobicContact CG2-CD2 3.62Å; V504-W672 HydrophobicContact CG2-CE3 3.6Å; V504-W672 HydrophobicContact CG2-CG 3.68Å; V504-L674 HydrophobicContact CG1-CD2 4.04Å; V504-L674 HydrophobicContact CG1-CG 4.16Å
505	L	98.8	Very high	97.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.8	178.9	-177.8	66.8	0	0	0	109	F365 R366 L544 F598 L600 F629 Q632 V633 L674	F365-L505 WeakPolarHBondContact CA-O 3.46Å; F365-L505 HydrophobicContact CD2-CB 4.06Å; F365-L505 HydrophobicContact CD2-CD2 4.18Å; F365-L505 HydrophobicContact CD2-CG 4.16Å; F365-L505 WeakPolarHBondContact CD2-O 3.23Å; F365-L505 HydrophobicContact CE2-CB 4.36Å; F365-L505 HydrophobicContact CE2-CD2 3.99Å; F365-L505 HydrophobicContact CE2-CG 3.97Å; R366-L505 PolarHBondContact N-O 2.73Å; L505-L544 HydrophobicContact CD1-CD1 3.75Å; L505-L544 HydrophobicContact CD1-CD2 3.94Å; L505-L544 HydrophobicContact CD1-CG 4.41Å; L505-L544 HydrophobicContact CD2-CD2 4.25Å; L505-F598 CarbonylContact C-O 3.39Å; L505-F598 WeakPolarHBondContact CA-O 3.46Å; L505-F598 HydrophobicContact CD1-CB 4.22Å; L505-L600 HydrophobicContact CD1-CD1 4.45Å; L505-F629 HydrophobicContact CD1-CE1 4.22Å; L505-F629 HydrophobicContact CD1-CE2 4.28Å; L505-F629 HydrophobicContact CD1-CZ 3.69Å; L505-F629 HydrophobicContact CD2-CD1 4.34Å; L505-F629 HydrophobicContact CD2-CE1 4.01Å; L505-F629 HydrophobicContact CD2-CZ 4.13Å; L505-F629 VanDerWaalsContact CD2-O 3.26Å; L505-F629 WeakPolarHBondContact CD2-O 3.28Å; L505-F629 HydrophobicContact CG-CE1 3.88Å; L505-F629 HydrophobicContact CG-CZ 3.89Å; L505-Q632 HydrophobicContact CD2-CB 3.96Å; L505-V633 HydrophobicContact CB-CB 4.06Å; L505-V633 HydrophobicContact CB-CG2 3.73Å; L505-V633 HydrophobicContact CD2-CB 4.11Å; L505-L674 HydrophobicContact CB-CD1 4.27Å; L505-L674 HydrophobicContact CD1-CD1 4Å
506	G	98.4	Very high	97.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.3	174.7	0	0	0	0	0	113.7	R366 F598 E599 L600	R366-G506 CarbonylContact O-C 3.49Å; R366-G506 WeakPolarHBondContact O-CA 3.48Å; G506-F598 PolarHBondContact N-O 3.39Å; G506-E599 VanDerWaalsContact C-OE2 3.29Å; G506-E599 VanDerWaalsContact CA-OE2 3.23Å; G506-E599 WeakPolarHBondContact CA-OE2 3.41Å; G506-E599 WeakPolarHBondContact O-CA 3.47Å; G506-L600 PolarHBondContact O-N 2.87Å; G506-L600 VanDerWaalsContact O-N 3.17Å
507	G	98.3	Very high	97.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.9	176.3	0	0	0	0	0	112.3	R366 Y367 T368 L600	R366-G507 PolarHBondContact O-N 3.42Å; Y367-G507 CarbonylContact C-O 3.6Å; Y367-G507 WeakPolarHBondContact CA-O 3.49Å; T368-G507 PolarHBondContact N-O 3.23Å; T368-G507 PolarHBondContact OG1-O 3.34Å; G507-L600 CarbonylContact C-O 3.44Å; G507-L600 WeakPolarHBondContact CA-O 3.43Å
508	N	97.9	Very high	97.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	112.3	175.6	172.4	41.1	0	0	0	109.9	T368 H446 Q510 M587 L600 S601 M602	T368-N508 WeakPolarHBondContact O-CA 3.37Å; T368-N508 WeakPolarHBondContact OG1-CA 3.49Å; H446-N508 PolarHBondContact CD2-ND2 3.09Å; H446-N508 PolarHBondContact NE2-ND2 3.43Å; N508-Q510 PolarHBondContact ND2-NE2 2.96Å; N508-M587 HydrophobicContact CB-CE 3.58Å; N508-M587 VanDerWaalsContact CG-CE 3.41Å; N508-L600 PolarHBondContact N-O 3.36Å; N508-S601 PolarHBondContact ND2-OG 3.45Å; N508-S601 CarbonylContact O-C 3.3Å; N508-S601 VanDerWaalsContact O-CA 3.3Å; N508-S601 WeakPolarHBondContact O-CA 3.29Å; N508-M602 PolarHBondContact O-N 3.36Å
509	L	98.6	Very high	97.3	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.5	-177.5	-52.1	-173.5	0	0	0	110.5	Y367 T368 A369 L381 L382 M602 V604 L626	Y367-L509 HydrophobicContact CD1-CD2 4.21Å; Y367-L509 HydrophobicContact CD1-CG 4.38Å; Y367-L509 HydrophobicContact CE1-CD2 4.05Å; T368-L509 PolarHBondContact O-N 2.69Å; A369-L509 HydrophobicContact CB-CB 4.14Å; L381-L509 HydrophobicContact CB-CD1 4.3Å; L382-L509 HydrophobicContact CD2-CD1 3.78Å; L382-L509 HydrophobicContact CG-CD1 3.97Å; L509-M602 HydrophobicContact CD2-CB 3.93Å; L509-M602 HydrophobicContact CD2-CG 4.26Å; L509-M602 HydrophobicContact CD2-SD 3.95Å; L509-V604 HydrophobicContact CD2-CG1 4.16Å; L509-L626 HydrophobicContact CD1-CD2 4.01Å; L509-L626 HydrophobicContact CD2-CD2 4.33Å
510	Q	97.6	Very high	97.4	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.009	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	172.4	-179.4	-70.9	-172.7	69.2	0	0	110.8	H372 E375 H446 N508 S601 M602 Y603 V604	H372-Q510 PolarHBondContact CE1-OE1 2.97Å; E375-Q510 WeakPolarHBondContact OE2-CA 3.35Å; E375-Q510 WeakPolarHBondContact OE2-CB 3.11Å; H446-Q510 PolarHBondContact NE2-NE2 3.36Å; N508-Q510 PolarHBondContact ND2-NE2 2.96Å; Q510-S601 PolarHBondContact NE2-OG 3.21Å; Q510-M602 PolarHBondContact N-O 2.87Å; Q510-Y603 HydrophobicContact CB-CD1 3.61Å; Q510-Y603 HydrophobicContact CB-CE1 3.47Å; Q510-Y603 VanDerWaalsContact CB-CE1 3.47Å; Q510-Y603 HydrophobicContact CB-CE2 4.49Å; Q510-Y603 HydrophobicContact CB-CG 4.19Å; Q510-Y603 HydrophobicContact CG-CE1 4.22Å; Q510-Y603 PolarHBondContact NE2-OH 3.38Å; Q510-Y603 VanDerWaalsContact NE2-OH 3.09Å; Q510-Y603 WeakPolarHBondContact O-CA 3.37Å; Q510-Y603 PolarHBondContact OE1-OH 2.94Å; Q510-V604 WeakPolarHBondContact O-CG2 3.35Å; Q510-V604 PolarHBondContact O-N 2.97Å
511	G	95.4	Very high	97.5	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.01	3%	0.029	C	C	.	.			trans	-142.3	161.6	-177.5	0	0	0	0	0	114.2	E375 K608	E375-G511 VanDerWaalsContact CD-O 3.29Å; E375-G511 PolarHBondContact OE2-N 3.1Å; E375-G511 VanDerWaalsContact OE2-N 3.16Å; G511-K608 WeakPolarHBondContact O-CE 3.47Å; G511-K608 PolarHBondContact O-NZ 2.9Å; G511-K608 VanDerWaalsContact O-NZ 3.13Å
512	G	94.3	Very high	97.4	Very high	3 Å²	3	7.4 Å²	7.4	3%	0.031	4%	0.036	C	C	.	.	S	Bend	trans	105.1	7.9	-177.1	0	0	0	0	0	115.5	W433 H564 G605 C606	W433-G512 WeakPolarHBondContact CH2-O 3.16Å; G512-H564 PolarHBondContact O-CD2 3.25Å; G512-H564 VanDerWaalsContact O-CD2 3.27Å; G512-H564 PolarHBondContact O-NE2 2.92Å; G512-H564 VanDerWaalsContact O-NE2 3.14Å; G512-G605 PolarHBondContact N-O 2.98Å; G512-C606 WeakPolarHBondContact CA-O 3.34Å
513	E	95.3	Very high	97.4	Very high	9 Å²	9	6.3 Å²	6.3	4%	0.042	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	173.8	171.7	-102.8	-50.3	158.1	0	0	108.4	V515 C563 H564 F568 W580 Y603 G605	E513-V515 HydrophobicContact CB-CG1 4.48Å; E513-C563 WeakPolarHBondContact OE1-CB 3.4Å; E513-C563 WeakPolarHBondContact OE2-CB 3.12Å; E513-C563 PolarHBondContact OE2-SG 2.03Å; E513-H564 IonicContact OE1-CD2 3.53Å; E513-H564 IonicContact OE1-CG 3.93Å; E513-H564 PolarHBondContact OE1-N 3.32Å; E513-F568 HydrophobicContact CG-CE2 3.98Å; E513-W580 HydrophobicContact CB-CH2 4.16Å; E513-W580 HydrophobicContact CB-CZ2 4.32Å; E513-W580 HydrophobicContact CG-CH2 4.24Å; E513-W580 HydrophobicContact CG-CZ2 3.9Å; E513-Y603 CarbonylContact O-C 3.59Å; E513-Y603 VanDerWaalsContact O-C 3.31Å; E513-Y603 WeakPolarHBondContact O-CB 3.29Å; E513-G605 PolarHBondContact N-O 2.97Å; E513-G605 VanDerWaalsContact N-O 3.14Å; E513-G605 CarbonylContact O-C 3.52Å; E513-G605 VanDerWaalsContact O-C 3.27Å; E513-G605 PolarHBondContact O-N 2.92Å
514	L	96.3	Very high	97.1	Very high	10 Å²	10	12.1 Å²	12.1	5%	0.052	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	84.2	179.8	-169	65.3	0	0	0	111.9	L554 M555 R560 Y603	L514-L554 HydrophobicContact CD2-CB 3.81Å; L514-M555 HydrophobicContact CD1-CE 3.8Å; L514-M555 HydrophobicContact CD1-CG 3.71Å; L514-M555 HydrophobicContact CG-CG 3.74Å; L514-R560 PolarHBondContact O-NH2 2.99Å; L514-Y603 WeakPolarHBondContact CA-O 3.12Å
515	V	97.8	Very high	96.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	154.6	-173.7	64.9	0	0	0	0	111.9	E513 T517 F568 I575 W580 Y603	E513-V515 HydrophobicContact CB-CG1 4.48Å; V515-T517 HydrophobicContact CG1-CG2 4.34Å; V515-F568 HydrophobicContact CB-CB 3.87Å; V515-F568 HydrophobicContact CB-CD1 4.17Å; V515-F568 HydrophobicContact CB-CD2 3.71Å; V515-F568 HydrophobicContact CB-CE2 4.32Å; V515-F568 HydrophobicContact CB-CG 3.63Å; V515-F568 HydrophobicContact CG1-CD2 4.07Å; V515-F568 HydrophobicContact CG1-CE2 4.17Å; V515-F568 HydrophobicContact CG1-CG 4.29Å; V515-F568 HydrophobicContact CG1-CZ 4.47Å; V515-F568 HydrophobicContact CG2-CB 3.72Å; V515-F568 HydrophobicContact CG2-CD1 3.73Å; V515-F568 HydrophobicContact CG2-CD2 4.2Å; V515-F568 HydrophobicContact CG2-CE1 4.43Å; V515-F568 HydrophobicContact CG2-CG 3.6Å; V515-I575 HydrophobicContact CG2-CB 4.23Å; V515-I575 HydrophobicContact CG2-CG2 3.74Å; V515-W580 HydrophobicContact CG1-CH2 4.38Å; V515-W580 HydrophobicContact CG1-CZ3 4.33Å; V515-Y603 HydrophobicContact CG1-CD2 4.08Å; V515-Y603 HydrophobicContact CG1-CG 4.36Å; V515-Y603 PolarHBondContact N-O 3.3Å; V515-Y603 WeakPolarHBondContact O-CB 3.36Å; V515-Y603 PolarHBondContact O-N 3.36Å
516	V	98.4	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.2	166.8	-174.4	0	0	0	0	110.6	A545 Y548 A549 M555 G573 T574 I575 L600 M602	V516-A545 HydrophobicContact CB-CB 4.2Å; V516-A545 HydrophobicContact CG1-CB 3.83Å; V516-Y548 HydrophobicContact CG2-CD1 3.65Å; V516-Y548 HydrophobicContact CG2-CE1 4.48Å; V516-Y548 HydrophobicContact CG2-CG 4.22Å; V516-A549 HydrophobicContact CG2-CB 4.19Å; V516-M555 HydrophobicContact CG2-CE 4.28Å; V516-M555 HydrophobicContact CG2-SD 3.84Å; V516-G573 PolarHBondContact N-O 3.05Å; V516-T574 WeakPolarHBondContact O-CA 3.19Å; V516-I575 PolarHBondContact O-N 2.97Å; V516-L600 HydrophobicContact CG1-CB 4.49Å; V516-L600 HydrophobicContact CG1-CD2 4.1Å; V516-M602 HydrophobicContact CG1-CG 4.11Å; V516-M602 HydrophobicContact CG2-CB 4.44Å; V516-M602 HydrophobicContact CG2-CG 4.17Å
517	T	97.9	Very high	95.6	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	147.9	177.7	73.9	0	0	0	0	112	V515 I575 W580 S601 Y603	V515-T517 HydrophobicContact CG1-CG2 4.34Å; T517-I575 VanDerWaalsContact CA-O 3.28Å; T517-I575 WeakPolarHBondContact CA-O 3.17Å; T517-I575 HydrophobicContact CG2-CG2 3.88Å; T517-W580 HydrophobicContact CG2-CE3 3.63Å; T517-W580 HydrophobicContact CG2-CZ3 3.76Å; T517-S601 PolarHBondContact N-O 2.85Å; T517-S601 PolarHBondContact O-N 3.03Å; T517-S601 WeakPolarHBondContact OG1-CB 3.26Å; T517-Y603 HydrophobicContact CG2-CD2 3.94Å; T517-Y603 HydrophobicContact CG2-CE2 3.59Å
518	F	97.9	Very high	95.3	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.022	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.2	177.7	59.6	-90.1	0	0	0	113.5	F541 R542 A545 I575 N576 G577 L600	F518-F541 HydrophobicContact CB-CB 4.05Å; F518-F541 HydrophobicContact CB-CD1 4.08Å; F518-F541 HydrophobicContact CB-CG 4.43Å; F518-F541 HydrophobicContact CD2-CB 3.89Å; F518-F541 HydrophobicContact CG-CB 4.18Å; F518-R542 HydrophobicContact CD2-CG 4.38Å; F518-R542 HydrophobicContact CE1-CG 4.02Å; F518-R542 HydrophobicContact CE2-CG 3.59Å; F518-R542 HydrophobicContact CZ-CG 3.4Å; F518-A545 HydrophobicContact CD1-CB 3.76Å; F518-A545 HydrophobicContact CE1-CB 4.4Å; F518-I575 VanDerWaalsContact CD1-O 3.24Å; F518-I575 WeakPolarHBondContact CD1-O 3.16Å; F518-I575 WeakPolarHBondContact CE1-O 3.45Å; F518-I575 PolarHBondContact N-O 3.13Å; F518-I575 VanDerWaalsContact N-O 3.13Å; F518-N576 HydrophobicContact CD2-CB 4.38Å; F518-N576 HydrophobicContact CE2-CB 3.75Å; F518-N576 HydrophobicContact CZ-CB 3.88Å; F518-N576 WeakPolarHBondContact O-CA 3.32Å; F518-N576 PolarHBondContact O-ND2 3.2Å; F518-N576 VanDerWaalsContact O-ND2 3.13Å; F518-G577 PolarHBondContact O-N 2.84Å; F518-L600 HydrophobicContact CB-CD2 4.03Å; F518-L600 HydrophobicContact CB-CG 4.2Å
519	P	98.1	Very high	94.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-49.5	155.1	178.8	-35.8	38.8	0	0	0	116.9	T535 F541 N576 N588 D589 E599	P519-T535 HydrophobicContact CB-CG2 3.59Å; P519-F541 HydrophobicContact CB-CE1 4.41Å; P519-F541 HydrophobicContact CB-CZ 4.38Å; P519-F541 HydrophobicContact CG-CD1 4.39Å; P519-F541 HydrophobicContact CG-CE1 3.85Å; P519-F541 HydrophobicContact CG-CZ 4.12Å; P519-N576 VanDerWaalsContact C-ND2 3.28Å; P519-N576 PolarHBondContact O-ND2 3.39Å; P519-N588 HydrophobicContact CG-CB 3.75Å; P519-D589 WeakPolarHBondContact CB-OD1 3.48Å; P519-E599 WeakPolarHBondContact CD-O 3.34Å
520	Y	98	Very high	94.5	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.035	22%	0.218	C	C	.	.			cis	-77.7	142.6	-7.8	-67.1	-65.7	0	0	0	111.6	N453 L456 W457 T533 T535 N576 A578 D589 Y592 L593	N453-Y520 WeakPolarHBondContact ND2-CD1 3.42Å; L456-Y520 WeakPolarHBondContact CD2-OH 3.3Å; W457-Y520 HydrophobicContact CZ2-CD2 4.41Å; Y520-T533 WeakPolarHBondContact CB-O 3.26Å; Y520-T533 HydrophobicContact CD2-CG2 4.08Å; Y520-T533 PolarHBondContact N-O 3.09Å; Y520-T535 HydrophobicContact CD1-CG2 4.05Å; Y520-T535 HydrophobicContact CD2-CG2 3.84Å; Y520-T535 HydrophobicContact CE1-CG2 4Å; Y520-T535 HydrophobicContact CE2-CG2 3.81Å; Y520-T535 HydrophobicContact CG-CG2 3.98Å; Y520-N576 PolarHBondContact N-ND2 2.83Å; Y520-N576 PolarHBondContact O-ND2 2.88Å; Y520-A578 WeakPolarHBondContact O-CB 3.39Å; Y520-A578 PolarHBondContact O-N 3.42Å; Y520-D589 VanDerWaalsContact CA-OD1 3.27Å; Y520-D589 WeakPolarHBondContact CA-OD1 3.22Å; Y520-D589 HydrophobicContact CD1-CB 4.45Å; Y520-Y592 AromaticContact CE1-CD1 3.96Å; Y520-Y592 HydrophobicContact CE1-CD1 3.96Å; Y520-Y592 HydrophobicContact CE1-CE1 4.18Å; Y520-L593 HydrophobicContact CE1-CD1 4.03Å; Y520-L593 HydrophobicContact CE1-CD2 3.92Å; Y520-L593 HydrophobicContact CE1-CG 4.04Å
521	D	97.1	Very high	94.4	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.043	23%	0.23	C	C	.	.			trans	-79.7	-24.1	172.1	-64.9	-36.2	0	0	0	111.9	G577 A578 A583 S586 N588 D589	D521-G577 WeakPolarHBondContact OD1-CA 3.46Å; D521-A578 VanDerWaalsContact O-CA 3.28Å; D521-A578 WeakPolarHBondContact O-CA 3.43Å; D521-A578 PolarHBondContact O-N 2.97Å; D521-A583 CarbonylContact C-O 3.54Å; D521-A583 HydrophobicContact CB-CB 4.35Å; D521-A583 PolarHBondContact O-N 3.37Å; D521-S586 WeakPolarHBondContact OD2-CB 3.47Å; D521-S586 PolarHBondContact OD2-OG 3.13Å; D521-N588 WeakPolarHBondContact OD2-CB 3.33Å; D521-N588 PolarHBondContact OD2-ND2 3.32Å; D521-D589 VanDerWaalsContact N-CG 3.32Å; D521-D589 PolarHBondContact N-OD1 3.27Å; D521-D589 PolarHBondContact N-OD2 3.31Å
522	R	95.9	Very high	94.4	Very high	61 Å²	61	48.3 Å²	48.3	23%	0.23	25%	0.254	C	S	.	.	S	Bend	trans	-90.9	134	176.4	-164.2	-166.5	169.5	127	1.4	112.7	D451 N453 S454 W457 T533 A578 A583 A584 D589	D451-R522 IonicContact OD1-CZ 3.8Å; D451-R522 IonicContact OD1-NH1 2.72Å; D451-R522 PolarHBondContact OD1-NH1 2.91Å; D451-R522 IonicContact OD2-CZ 3.91Å; D451-R522 IonicContact OD2-NH1 3.63Å; D451-R522 PolarHBondContact OD2-NH1 3.36Å; N453-R522 HydrophobicContact CB-CB 4.37Å; S454-R522 PolarHBondContact OG-NH1 2.97Å; S454-R522 VanDerWaalsContact OG-NH1 3.09Å; S454-R522 PolarHBondContact OG-NH2 3.39Å; W457-R522 HydrophobicContact CH2-CB 4.08Å; W457-R522 HydrophobicContact CH2-CG 4.17Å; W457-R522 WeakPolarHBondContact CH2-O 3.29Å; W457-R522 HydrophobicContact CZ3-CG 4.29Å; R522-T533 WeakPolarHBondContact O-CG2 3.48Å; R522-A578 VanDerWaalsContact C-CB 3.46Å; R522-A583 WeakPolarHBondContact CA-O 3.48Å; R522-A583 WeakPolarHBondContact CB-O 3.21Å; R522-A583 PolarHBondContact N-O 3.39Å; R522-A584 HydrophobicContact CG-CB 4.29Å; R522-D589 PolarHBondContact N-OD2 2.71Å
523	T	95.8	Very high	94.5	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.055	25%	0.254	C	S	.	.			trans	-67.5	144.8	169	54.6	0	0	0	0	112.7	W457 V528 E531 T533 A578 T582	W457-T523 WeakPolarHBondContact CH2-O 3.33Å; W457-T523 VanDerWaalsContact CZ3-O 3.28Å; W457-T523 WeakPolarHBondContact CZ3-O 3.49Å; T523-V528 PolarHBondContact OG1-O 2.86Å; T523-E531 HydrophobicContact CG2-CB 3.78Å; T523-T533 WeakPolarHBondContact CA-OG1 3.39Å; T523-A578 HydrophobicContact CG2-CB 3.88Å; T523-A578 VanDerWaalsContact CG2-O 3.29Å; T523-A578 WeakPolarHBondContact CG2-O 3.38Å; T523-T582 WeakPolarHBondContact CB-OG1 3.45Å; T523-T582 PolarHBondContact N-OG1 3.36Å; T523-T582 VanDerWaalsContact OG1-CB 3.28Å; T523-T582 WeakPolarHBondContact OG1-CB 3.39Å; T523-T582 PolarHBondContact OG1-OG1 3.46Å
524	R	93.6	Very high	94.6	Very high	127 Å²	127	51.4 Å²	51.4	48%	0.479	27%	0.274	S	S	.	.	S	Bend	trans	-85.1	-33.6	-178	-170.5	169.4	178.6	125.6	12.8	112.4	W457 E460 E531 T533	W457-R524 HydrophobicContact CD2-CG 4.14Å; W457-R524 HydrophobicContact CE3-CG 4.29Å; W457-R524 HydrophobicContact CH2-CB 4.19Å; W457-R524 HydrophobicContact CZ2-CB 4.3Å; W457-R524 HydrophobicContact CZ2-CG 4.45Å; W457-R524 HydrophobicContact CZ3-CB 4.38Å; W457-R524 HydrophobicContact CZ3-CG 4.5Å; E460-R524 IonicContact OE2-CZ 3.41Å; E460-R524 VanDerWaalsContact OE2-CZ 3.28Å; E460-R524 IonicContact OE2-NH1 3.61Å; E460-R524 PolarHBondContact OE2-NH1 3.3Å; E460-R524 IonicContact OE2-NH2 2.66Å; E460-R524 PolarHBondContact OE2-NH2 3.18Å; R524-E531 PolarHBondContact N-OE2 3.14Å; R524-T533 HydrophobicContact CB-CG2 3.79Å; R524-T533 PolarHBondContact N-OG1 3.25Å
525	S	91.8	Very high	94.7	Very high	48 Å²	48	51.3 Å²	51.3	34%	0.336	27%	0.274	S	S	.	.	S	Bend	trans	-79.5	126.1	176.9	-69.3	0	0	0	0	112	G527 V528 E531	S525-G527 PolarHBondContact O-N 3.31Å; S525-V528 VanDerWaalsContact CB-CG2 3.48Å; S525-V528 PolarHBondContact O-N 3.02Å; S525-E531 WeakPolarHBondContact CB-OE1 3.34Å; S525-E531 WeakPolarHBondContact CB-OE2 3.47Å; S525-E531 PolarHBondContact N-OE2 3.42Å; S525-E531 PolarHBondContact OG-OE1 3.42Å; S525-E531 PolarHBondContact OG-OE2 3.14Å
526	Q	86.6	Confident	94.7	Very high	198 Å²	198	53.5 Å²	53.5	93%	0.925	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	129.4	-179	-67.7	-174.1	-12.6	0	0	111.6	V528	Q526-V528 VanDerWaalsContact C-N 3.28Å; Q526-V528 PolarHBondContact O-N 3.32Å
527	G	85.6	Confident	94.7	Very high	86 Å²	86	53.5 Å²	53.5	89%	0.887	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	0.7	-180	0	0	0	0	0	115	S525	S525-G527 PolarHBondContact O-N 3.31Å
528	V	91	Very high	94.7	Very high	54 Å²	54	54.6 Å²	54.6	33%	0.327	29%	0.294	S	S	.	.			trans	-90.7	124.6	176.6	-178.1	0	0	0	0	109.9	T523 S525 Q526 R530 E531	T523-V528 PolarHBondContact OG1-O 2.86Å; S525-V528 VanDerWaalsContact CB-CG2 3.48Å; S525-V528 PolarHBondContact O-N 3.02Å; Q526-V528 VanDerWaalsContact C-N 3.28Å; Q526-V528 PolarHBondContact O-N 3.32Å; V528-R530 VanDerWaalsContact CG1-O 3.27Å; V528-R530 WeakPolarHBondContact CG1-O 3.48Å; V528-E531 HydrophobicContact CG1-CB 3.84Å
529	T	87.3	Confident	94.7	Very high	105 Å²	105	57.9 Å²	57.9	64%	0.644	31%	0.309	S	S	*	.	S	Bend	trans	-83.2	-25.3	-175.8	48.8	0	0	0	0	114.2	T582	T529-T582 PolarHBondContact O-N 3.03Å
530	R	92.9	Very high	94.7	Very high	113 Å²	113	58 Å²	58	43%	0.426	31%	0.31	S	S	.	.	S	Bend	trans	-142.3	118.6	178.8	-71.7	-177.1	166.1	-170.2	-18.3	110.2	V528 E566 A578 S579 W580	V528-R530 VanDerWaalsContact CG1-O 3.27Å; V528-R530 WeakPolarHBondContact CG1-O 3.48Å; R530-E566 IonicContact CZ-OE1 2.74Å; R530-E566 IonicContact CZ-OE2 2.76Å; R530-E566 IonicContact NH1-OE1 2.7Å; R530-E566 PolarHBondContact NH1-OE1 3.33Å; R530-E566 IonicContact NH1-OE2 2.95Å; R530-E566 VanDerWaalsContact NH2-CD 3.32Å; R530-E566 IonicContact NH2-OE1 3.61Å; R530-E566 PolarHBondContact NH2-OE1 2.88Å; R530-E566 IonicContact NH2-OE2 2.68Å; R530-E566 PolarHBondContact NH2-OE2 2.88Å; R530-A578 WeakPolarHBondContact CA-O 3.45Å; R530-S579 WeakPolarHBondContact CB-O 3.34Å; R530-S579 WeakPolarHBondContact CG-O 3.38Å; R530-W580 PolarHBondContact NE-O 3.4Å; R530-W580 PolarHBondContact NH2-O 3.18Å
531	E	94.8	Very high	94.7	Very high	57 Å²	57	57.6 Å²	57.6	27%	0.266	31%	0.308	S	S	.	.			trans	-161	122.8	178.7	172.2	-173.9	-115.6	0	0	109.1	T523 R524 S525 V528 T533 A578	T523-E531 HydrophobicContact CG2-CB 3.78Å; R524-E531 PolarHBondContact N-OE2 3.14Å; S525-E531 WeakPolarHBondContact CB-OE1 3.34Å; S525-E531 WeakPolarHBondContact CB-OE2 3.47Å; S525-E531 PolarHBondContact N-OE2 3.42Å; S525-E531 PolarHBondContact OG-OE1 3.42Å; S525-E531 PolarHBondContact OG-OE2 3.14Å; V528-E531 HydrophobicContact CG1-CB 3.84Å; E531-T533 PolarHBondContact O-N 3.26Å; E531-T533 PolarHBondContact O-OG1 3.26Å; E531-A578 PolarHBondContact N-O 2.78Å; E531-A578 CarbonylContact O-C 3.53Å; E531-A578 VanDerWaalsContact O-C 3.3Å; E531-A578 VanDerWaalsContact O-CB 3.28Å; E531-A578 WeakPolarHBondContact O-CB 3.31Å
532	Q	95.1	Very high	94.7	Very high	110 Å²	110	63.3 Å²	63.3	51%	0.514	33%	0.329	S	S	.	.			trans	-58.6	113.6	176.1	-171.8	-171.2	7.8	0	0	110.1	P534 N576	Q532-P534 VanDerWaalsContact O-CD 3.3Å; Q532-P534 WeakPolarHBondContact O-CD 3.31Å; Q532-N576 WeakPolarHBondContact CA-OD1 3.4Å; Q532-N576 HydrophobicContact CG-CB 4.24Å
533	T	97.1	Very high	94.8	Very high	6 Å²	6	65.8 Å²	65.8	4%	0.037	34%	0.339	C	S	.	.			trans	-120.5	81.9	-173.5	-56.9	0	0	0	0	109.8	W457 Y520 R522 T523 R524 E531 N576	W457-T533 HydrophobicContact CH2-CG2 4.28Å; W457-T533 HydrophobicContact CZ2-CG2 3.92Å; Y520-T533 WeakPolarHBondContact CB-O 3.26Å; Y520-T533 HydrophobicContact CD2-CG2 4.08Å; Y520-T533 PolarHBondContact N-O 3.09Å; R522-T533 WeakPolarHBondContact O-CG2 3.48Å; T523-T533 WeakPolarHBondContact CA-OG1 3.39Å; R524-T533 HydrophobicContact CB-CG2 3.79Å; R524-T533 PolarHBondContact N-OG1 3.25Å; E531-T533 PolarHBondContact O-N 3.26Å; E531-T533 PolarHBondContact O-OG1 3.26Å; T533-N576 PolarHBondContact N-OD1 2.92Å; T533-N576 PolarHBondContact O-ND2 3.32Å
534	P	97.5	Very high	94.9	Very high	70 Å²	70	65.5 Å²	65.5	46%	0.455	34%	0.337	S	S	.	.			trans	-70.2	147.4	-173.2	28.2	-35.5	0	0	0	112.7	Q532 D538	Q532-P534 VanDerWaalsContact O-CD 3.3Å; Q532-P534 WeakPolarHBondContact O-CD 3.31Å; P534-D538 HydrophobicContact CB-CB 3.8Å
535	T	98.2	Very high	95.1	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.049	31%	0.314	C	S	.	.			trans	-79	165.4	166.9	69.2	0	0	0	0	111.3	P519 Y520 D537 D538 F541 Y592	P519-T535 HydrophobicContact CB-CG2 3.59Å; Y520-T535 HydrophobicContact CD1-CG2 4.05Å; Y520-T535 HydrophobicContact CD2-CG2 3.84Å; Y520-T535 HydrophobicContact CE1-CG2 4Å; Y520-T535 HydrophobicContact CE2-CG2 3.81Å; Y520-T535 HydrophobicContact CG-CG2 3.98Å; T535-D537 PolarHBondContact O-N 3.36Å; T535-D537 VanDerWaalsContact O-N 3.1Å; T535-D537 PolarHBondContact OG1-N 2.95Å; T535-D538 WeakPolarHBondContact O-CB 3.49Å; T535-D538 PolarHBondContact O-N 3.36Å; T535-D538 VanDerWaalsContact O-N 3.15Å; T535-D538 PolarHBondContact OG1-N 3.28Å; T535-D538 VanDerWaalsContact OG1-N 3.12Å; T535-F541 HydrophobicContact CG2-CD2 4.34Å; T535-F541 HydrophobicContact CG2-CE2 4.14Å; T535-F541 VanDerWaalsContact OG1-CD2 3.28Å; T535-F541 WeakPolarHBondContact OG1-CD2 3.5Å; T535-Y592 HydrophobicContact CG2-CD1 4.13Å; T535-Y592 HydrophobicContact CG2-CE1 3.77Å
536	P	98.1	Very high	95.4	Very high	46 Å²	46	61.2 Å²	61.2	30%	0.299	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-23	166.7	-28.5	36.3	0	0	0	114.9	I659 H661	P536-I659 HydrophobicContact CB-CG2 4.13Å; P536-H661 HydrophobicContact CB-CB 4.12Å; P536-H661 HydrophobicContact CG-CB 4.23Å
537	D	98.5	Very high	95.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	23.4	-178.8	-70.5	-101.6	0	0	0	112.4	T535 H539 V540 F541 Y592 F598 I659 R673	T535-D537 PolarHBondContact O-N 3.36Å; T535-D537 VanDerWaalsContact O-N 3.1Å; T535-D537 PolarHBondContact OG1-N 2.95Å; D537-H539 PolarHBondContact O-N 3.13Å; D537-H539 VanDerWaalsContact O-N 3.09Å; D537-V540 HydrophobicContact CB-CB 4.44Å; D537-V540 HydrophobicContact CB-CG2 4.46Å; D537-V540 WeakPolarHBondContact O-CA 3.34Å; D537-V540 WeakPolarHBondContact O-CB 3.47Å; D537-V540 PolarHBondContact O-N 3.5Å; D537-F541 HydrophobicContact CB-CD2 4.23Å; D537-F541 HydrophobicContact CB-CE2 4.3Å; D537-F541 PolarHBondContact O-N 3.08Å; D537-Y592 PolarHBondContact OD2-OH 3.5Å; D537-Y592 VanDerWaalsContact OD2-OH 3.09Å; D537-F598 HydrophobicContact CB-CE2 3.71Å; D537-F598 HydrophobicContact CB-CZ 3.92Å; D537-I659 WeakPolarHBondContact OD2-CG2 3.33Å; D537-R673 IonicContact OD1-CZ 3.54Å; D537-R673 IonicContact OD1-NE 2.71Å; D537-R673 IonicContact OD1-NH2 3.71Å; D537-R673 PolarHBondContact OD1-NH2 3.32Å; D537-R673 IonicContact OD2-CZ 3.26Å; D537-R673 IonicContact OD2-NH2 2.73Å; D537-R673 PolarHBondContact OD2-NH2 2.98Å
538	D	98.2	Very high	96.5	Very high	27 Å²	27	48.1 Å²	48.1	14%	0.144	23%	0.232	C	C	.	.	H	α-helix	trans	-45.5	-43.6	179.8	172.4	90.3	0	0	0	113	P534 T535 V540 F541 R542	P534-D538 HydrophobicContact CB-CB 3.8Å; T535-D538 WeakPolarHBondContact O-CB 3.49Å; T535-D538 PolarHBondContact O-N 3.36Å; T535-D538 VanDerWaalsContact O-N 3.15Å; T535-D538 PolarHBondContact OG1-N 3.28Å; T535-D538 VanDerWaalsContact OG1-N 3.12Å; D538-V540 VanDerWaalsContact C-N 3.26Å; D538-V540 PolarHBondContact O-N 2.88Å; D538-F541 PolarHBondContact O-N 2.73Å; D538-R542 WeakPolarHBondContact O-CB 3.44Å; D538-R542 VanDerWaalsContact O-CG 3.31Å; D538-R542 WeakPolarHBondContact O-CG 3.49Å; D538-R542 PolarHBondContact O-N 3.44Å; D538-R542 WeakPolarHBondContact OD2-CD 3.2Å; D538-R542 IonicContact OD2-NH1 2.72Å
539	H	96.9	Very high	96.9	Very high	73 Å²	73	45.5 Å²	45.5	34%	0.338	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-27.4	177.5	67	-74.9	0	0	0	114.4	D537 N676	D537-H539 PolarHBondContact O-N 3.13Å; D537-H539 VanDerWaalsContact O-N 3.09Å; H539-N676 PolarHBondContact O-ND2 2.91Å
540	V	97.9	Very high	97.4	Very high	3 Å²	3	43 Å²	43	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-82.5	-46.8	172.7	-175.6	0	0	0	0	109.7	D537 D538 R542 W543 L544 F598 L674	D537-V540 HydrophobicContact CB-CB 4.44Å; D537-V540 HydrophobicContact CB-CG2 4.46Å; D537-V540 WeakPolarHBondContact O-CA 3.34Å; D537-V540 WeakPolarHBondContact O-CB 3.47Å; D537-V540 PolarHBondContact O-N 3.5Å; D538-V540 VanDerWaalsContact C-N 3.26Å; D538-V540 PolarHBondContact O-N 2.88Å; V540-R542 VanDerWaalsContact C-N 3.34Å; V540-R542 PolarHBondContact O-N 3.1Å; V540-W543 WeakPolarHBondContact O-CB 3.39Å; V540-W543 PolarHBondContact O-N 3.01Å; V540-W543 VanDerWaalsContact O-N 3.09Å; V540-L544 HydrophobicContact CG1-CD1 4.07Å; V540-L544 HydrophobicContact CG1-CG 4.36Å; V540-L544 WeakPolarHBondContact O-CG 3.08Å; V540-L544 PolarHBondContact O-N 2.9Å; V540-F598 HydrophobicContact CB-CE2 4.21Å; V540-F598 HydrophobicContact CG1-CD2 4.32Å; V540-F598 HydrophobicContact CG1-CE2 4.01Å; V540-L674 HydrophobicContact CG1-CB 3.96Å
541	F	98.6	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-43.4	177.9	-84.8	-75.3	0	0	0	113.1	F518 P519 T535 D537 D538 W543 L544 A545 Y592 F598 L600	F518-F541 HydrophobicContact CB-CB 4.05Å; F518-F541 HydrophobicContact CB-CD1 4.08Å; F518-F541 HydrophobicContact CB-CG 4.43Å; F518-F541 HydrophobicContact CD2-CB 3.89Å; F518-F541 HydrophobicContact CG-CB 4.18Å; P519-F541 HydrophobicContact CB-CE1 4.41Å; P519-F541 HydrophobicContact CB-CZ 4.38Å; P519-F541 HydrophobicContact CG-CD1 4.39Å; P519-F541 HydrophobicContact CG-CE1 3.85Å; P519-F541 HydrophobicContact CG-CZ 4.12Å; T535-F541 HydrophobicContact CG2-CD2 4.34Å; T535-F541 HydrophobicContact CG2-CE2 4.14Å; T535-F541 VanDerWaalsContact OG1-CD2 3.28Å; T535-F541 WeakPolarHBondContact OG1-CD2 3.5Å; D537-F541 HydrophobicContact CB-CD2 4.23Å; D537-F541 HydrophobicContact CB-CE2 4.3Å; D537-F541 PolarHBondContact O-N 3.08Å; D538-F541 PolarHBondContact O-N 2.73Å; F541-W543 VanDerWaalsContact C-N 3.32Å; F541-W543 PolarHBondContact O-N 3.31Å; F541-L544 PolarHBondContact O-N 2.93Å; F541-A545 WeakPolarHBondContact O-CB 3.07Å; F541-A545 PolarHBondContact O-N 2.76Å; F541-Y592 AromaticContact CE2-CD2 3.77Å; F541-Y592 HydrophobicContact CE2-CD2 3.77Å; F541-Y592 AromaticContact CE2-CE2 3.62Å; F541-Y592 HydrophobicContact CE2-CE2 3.62Å; F541-Y592 HydrophobicContact CE2-CG 4.31Å; F541-Y592 AromaticContact CZ-CD2 3.6Å; F541-Y592 HydrophobicContact CZ-CD2 3.6Å; F541-Y592 AromaticContact CZ-CE2 3.96Å; F541-Y592 HydrophobicContact CZ-CE2 3.96Å; F541-Y592 HydrophobicContact CZ-CG 4.01Å; F541-F598 HydrophobicContact CD1-CD2 4.46Å; F541-F598 HydrophobicContact CD2-CD2 4.1Å; F541-F598 HydrophobicContact CD2-CE2 4.19Å; F541-F598 HydrophobicContact CE1-CB 4.12Å; F541-F598 AromaticContact CE1-CD2 3.98Å; F541-F598 HydrophobicContact CE1-CD2 3.98Å; F541-F598 HydrophobicContact CE1-CG 4.35Å; F541-F598 AromaticContact CE2-CD2 3.58Å; F541-F598 HydrophobicContact CE2-CD2 3.58Å; F541-F598 AromaticContact CE2-CE2 3.74Å; F541-F598 HydrophobicContact CE2-CE2 3.74Å; F541-F598 HydrophobicContact CE2-CG 4.34Å; F541-F598 HydrophobicContact CZ-CB 4.09Å; F541-F598 AromaticContact CZ-CD2 3.52Å; F541-F598 HydrophobicContact CZ-CD2 3.52Å; F541-F598 HydrophobicContact CZ-CE2 4.14Å; F541-F598 AromaticContact CZ-CG 3.9Å; F541-F598 HydrophobicContact CZ-CG 3.9Å; F541-L600 HydrophobicContact CD1-CD1 3.81Å; F541-L600 HydrophobicContact CD1-CG 4.1Å; F541-L600 HydrophobicContact CE1-CD1 4Å
542	R	97.9	Very high	97.7	Very high	128 Å²	128	37 Å²	37	48%	0.483	18%	0.183	S	C	.	.	H	α-helix	trans	-64.1	-35.6	175.8	-70.8	177	71.5	175.7	4.5	112.7	F518 D538 V540 F546	F518-R542 HydrophobicContact CD2-CG 4.38Å; F518-R542 HydrophobicContact CE1-CG 4.02Å; F518-R542 HydrophobicContact CE2-CG 3.59Å; F518-R542 HydrophobicContact CZ-CG 3.4Å; D538-R542 WeakPolarHBondContact O-CB 3.44Å; D538-R542 VanDerWaalsContact O-CG 3.31Å; D538-R542 WeakPolarHBondContact O-CG 3.49Å; D538-R542 PolarHBondContact O-N 3.44Å; D538-R542 WeakPolarHBondContact OD2-CD 3.2Å; D538-R542 IonicContact OD2-NH1 2.72Å; V540-R542 VanDerWaalsContact C-N 3.34Å; V540-R542 PolarHBondContact O-N 3.1Å; R542-F546 VanDerWaalsContact O-CB 3.22Å; R542-F546 WeakPolarHBondContact O-CB 3.49Å; R542-F546 PolarHBondContact O-N 2.93Å
543	W	96.9	Very high	97.7	Very high	114 Å²	114	37.3 Å²	37.3	43%	0.432	18%	0.18	S	C	.	.	H	α-helix	trans	-66.2	-46.5	171.7	179.8	-76.3	0	0	0	111.5	V540 F541 A545 F546 S547 R635	V540-W543 WeakPolarHBondContact O-CB 3.39Å; V540-W543 PolarHBondContact O-N 3.01Å; V540-W543 VanDerWaalsContact O-N 3.09Å; F541-W543 VanDerWaalsContact C-N 3.32Å; F541-W543 PolarHBondContact O-N 3.31Å; W543-A545 PolarHBondContact O-N 3.02Å; W543-F546 PolarHBondContact O-N 3.12Å; W543-S547 WeakPolarHBondContact O-CB 3.35Å; W543-S547 PolarHBondContact O-N 2.8Å; W543-R635 VanDerWaalsContact CD1-NH1 3.28Å; W543-R635 VanDerWaalsContact CH2-NH2 3.3Å
544	L	98.3	Very high	97.6	Very high	2 Å²	2	40 Å²	40	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-59.7	-46.7	179	-68.1	170.5	0	0	0	110.9	L505 V540 F541 S547 F598 L600 F629 Q632 L674	L505-L544 HydrophobicContact CD1-CD1 3.75Å; L505-L544 HydrophobicContact CD1-CD2 3.94Å; L505-L544 HydrophobicContact CD1-CG 4.41Å; L505-L544 HydrophobicContact CD2-CD2 4.25Å; V540-L544 HydrophobicContact CG1-CD1 4.07Å; V540-L544 HydrophobicContact CG1-CG 4.36Å; V540-L544 WeakPolarHBondContact O-CG 3.08Å; V540-L544 PolarHBondContact O-N 2.9Å; F541-L544 PolarHBondContact O-N 2.93Å; L544-S547 PolarHBondContact O-N 2.71Å; L544-S547 PolarHBondContact O-OG 3.42Å; L544-F598 HydrophobicContact CD1-CB 4.31Å; L544-F598 HydrophobicContact CD1-CD2 4.1Å; L544-L600 HydrophobicContact CB-CD1 3.9Å; L544-L600 HydrophobicContact CB-CD2 3.86Å; L544-L600 HydrophobicContact CD1-CD1 3.91Å; L544-F629 HydrophobicContact CB-CE2 4.22Å; L544-Q632 HydrophobicContact CD2-CB 3.51Å; L544-Q632 HydrophobicContact CD2-CG 3.99Å; L544-L674 HydrophobicContact CD1-CD1 4.15Å
545	A	98.4	Very high	97.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-49.9	176.4	0	0	0	0	0	111.8	V516 F518 F541 W543 S547 Y548 A549 T574 L600	V516-A545 HydrophobicContact CB-CB 4.2Å; V516-A545 HydrophobicContact CG1-CB 3.83Å; F518-A545 HydrophobicContact CD1-CB 3.76Å; F518-A545 HydrophobicContact CE1-CB 4.4Å; F541-A545 WeakPolarHBondContact O-CB 3.07Å; F541-A545 PolarHBondContact O-N 2.76Å; W543-A545 PolarHBondContact O-N 3.02Å; A545-S547 VanDerWaalsContact C-N 3.31Å; A545-S547 PolarHBondContact O-N 3.28Å; A545-Y548 PolarHBondContact O-N 3.48Å; A545-A549 PolarHBondContact O-N 3.12Å; A545-T574 HydrophobicContact CB-CG2 3.62Å; A545-L600 HydrophobicContact CB-CD2 3.72Å
546	F	97.9	Very high	97.4	Very high	85 Å²	85	38.7 Å²	38.7	37%	0.373	18%	0.184	S	C	.	.	H	α-helix	trans	-64.1	-33.3	179.1	-177.1	-102.1	0	0	0	112.7	R542 W543 Y548 A549 S550 D572 T574	R542-F546 VanDerWaalsContact O-CB 3.22Å; R542-F546 WeakPolarHBondContact O-CB 3.49Å; R542-F546 PolarHBondContact O-N 2.93Å; W543-F546 PolarHBondContact O-N 3.12Å; F546-Y548 PolarHBondContact O-N 3.2Å; F546-A549 PolarHBondContact O-N 2.67Å; F546-S550 VanDerWaalsContact O-CB 3.25Å; F546-S550 WeakPolarHBondContact O-CB 3.31Å; F546-S550 PolarHBondContact O-N 2.83Å; F546-S550 PolarHBondContact O-OG 2.81Å; F546-D572 HydrophobicContact CD2-CB 3.8Å; F546-D572 HydrophobicContact CE2-CB 3.86Å; F546-T574 HydrophobicContact CB-CG2 4.37Å
547	S	97.3	Very high	97.1	Very high	9 Å²	9	39.1 Å²	39.1	6%	0.063	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-31.1	178.3	73.7	0	0	0	0	113.1	W543 L544 A545 T551 Q632	W543-S547 WeakPolarHBondContact O-CB 3.35Å; W543-S547 PolarHBondContact O-N 2.8Å; L544-S547 PolarHBondContact O-N 2.71Å; L544-S547 PolarHBondContact O-OG 3.42Å; A545-S547 VanDerWaalsContact C-N 3.31Å; A545-S547 PolarHBondContact O-N 3.28Å; S547-T551 WeakPolarHBondContact O-CG2 3.28Å; S547-T551 PolarHBondContact O-OG1 2.91Å; S547-Q632 WeakPolarHBondContact OG-CG 3.16Å
548	Y	98.6	Very high	96.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-82.1	-48.4	172.7	-168.1	-78.1	0	0	0	111.1	V516 A545 F546 S550 T551 H552 M555 M602 V604 N622 S625 L626 F629	V516-Y548 HydrophobicContact CG2-CD1 3.65Å; V516-Y548 HydrophobicContact CG2-CE1 4.48Å; V516-Y548 HydrophobicContact CG2-CG 4.22Å; A545-Y548 PolarHBondContact O-N 3.48Å; F546-Y548 PolarHBondContact O-N 3.2Å; Y548-S550 PolarHBondContact O-N 3.1Å; Y548-T551 PolarHBondContact O-N 3.28Å; Y548-T551 PolarHBondContact O-OG1 3.18Å; Y548-H552 PolarHBondContact O-N 2.95Å; Y548-M555 HydrophobicContact CD1-CE 4.19Å; Y548-M555 HydrophobicContact CD1-SD 3.92Å; Y548-M555 HydrophobicContact CE1-CE 3.85Å; Y548-M555 HydrophobicContact CE1-SD 4.13Å; Y548-M602 HydrophobicContact CD1-CB 4.38Å; Y548-M602 HydrophobicContact CD1-CG 3.94Å; Y548-M602 HydrophobicContact CD2-CE 4.34Å; Y548-M602 HydrophobicContact CD2-CG 4.03Å; Y548-M602 HydrophobicContact CE1-CB 3.94Å; Y548-M602 HydrophobicContact CE1-CG 3.89Å; Y548-M602 HydrophobicContact CE2-CG 3.98Å; Y548-M602 HydrophobicContact CG-CG 4.02Å; Y548-V604 HydrophobicContact CE1-CG1 4.4Å; Y548-V604 WeakPolarHBondContact OH-CG1 3.22Å; Y548-N622 PolarHBondContact OH-OD1 3.46Å; Y548-N622 VanDerWaalsContact OH-OD1 3.09Å; Y548-S625 WeakPolarHBondContact CD2-O 3.37Å; Y548-S625 PolarHBondContact O-OG 2.92Å; Y548-S625 VanDerWaalsContact O-OG 3.12Å; Y548-L626 HydrophobicContact CE2-CD2 4.13Å; Y548-L626 HydrophobicContact CE2-CG 4.46Å; Y548-F629 HydrophobicContact CD2-CB 3.8Å; Y548-F629 HydrophobicContact CD2-CD2 4.48Å; Y548-F629 HydrophobicContact CD2-CG 4.21Å
549	A	98.3	Very high	96.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.3	-38.6	-175.7	0	0	0	0	0	114.1	V516 A545 F546 T551 M555 T556 T574	V516-A549 HydrophobicContact CG2-CB 4.19Å; A545-A549 PolarHBondContact O-N 3.12Å; F546-A549 PolarHBondContact O-N 2.67Å; A549-T551 VanDerWaalsContact C-N 3.29Å; A549-T551 PolarHBondContact O-N 2.89Å; A549-M555 HydrophobicContact CB-CB 4.17Å; A549-M555 HydrophobicContact CB-SD 4.15Å; A549-M555 WeakPolarHBondContact O-CB 3.5Å; A549-T556 HydrophobicContact CB-CG2 4.41Å; A549-T574 HydrophobicContact CB-CG2 3.96Å
550	S	97.6	Very high	95.9	Very high	51 Å²	51	45.6 Å²	45.6	36%	0.357	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.5	178.8	63.2	0	0	0	0	114.6	F546 Y548	F546-S550 VanDerWaalsContact O-CB 3.25Å; F546-S550 WeakPolarHBondContact O-CB 3.31Å; F546-S550 PolarHBondContact O-N 2.83Å; F546-S550 PolarHBondContact O-OG 2.81Å; Y548-S550 PolarHBondContact O-N 3.1Å
551	T	97.5	Very high	95.6	Very high	42 Å²	42	48.3 Å²	48.3	26%	0.258	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-17.7	174.6	51.5	0	0	0	0	112.6	S547 Y548 A549 S625 V628	S547-T551 WeakPolarHBondContact O-CG2 3.28Å; S547-T551 PolarHBondContact O-OG1 2.91Å; Y548-T551 PolarHBondContact O-N 3.28Å; Y548-T551 PolarHBondContact O-OG1 3.18Å; A549-T551 VanDerWaalsContact C-N 3.29Å; A549-T551 PolarHBondContact O-N 2.89Å; T551-S625 WeakPolarHBondContact OG1-CA 3.46Å; T551-S625 PolarHBondContact OG1-OG 3.13Å; T551-S625 VanDerWaalsContact OG1-OG 3.08Å; T551-V628 HydrophobicContact CG2-CB 4.32Å; T551-V628 HydrophobicContact CG2-CG1 4.16Å; T551-V628 HydrophobicContact CG2-CG2 4.15Å
552	H	97.8	Very high	95.3	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.014	26%	0.255	C	S	.	.	S	Bend	trans	-77.2	124.9	175.1	-176.9	-82.7	0	0	0	109.6	Y548 L554 M555 N621 N622 S625	Y548-H552 PolarHBondContact O-N 2.95Å; H552-L554 PolarHBondContact ND1-N 3.4Å; H552-L554 PolarHBondContact O-N 3.25Å; H552-M555 HydrophobicContact CB-CB 4.05Å; H552-M555 HydrophobicContact CB-CG 3.94Å; H552-M555 HydrophobicContact CB-SD 3.67Å; H552-M555 PolarHBondContact ND1-N 3.13Å; H552-M555 PolarHBondContact O-N 3.07Å; H552-N621 PolarHBondContact CD2-O 3.34Å; H552-N621 VanDerWaalsContact CD2-O 3.27Å; H552-N622 PolarHBondContact CD2-OD1 2.7Å; H552-N622 PolarHBondContact NE2-ND2 3.12Å; H552-N622 PolarHBondContact NE2-OD1 3.26Å; H552-S625 WeakPolarHBondContact CA-OG 3.29Å; H552-S625 WeakPolarHBondContact CB-OG 3.19Å; H552-S625 PolarHBondContact N-OG 2.94Å
553	R	94.5	Very high	95.1	Very high	117 Å²	117	43.2 Å²	43.2	44%	0.442	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-31.6	-168	-66.1	-172.6	-172.7	-180	5.8	115.1	E620 N621	R553-E620 IonicContact CZ-OE2 3.56Å; R553-E620 PolarHBondContact NE-O 2.69Å; R553-E620 IonicContact NH1-OE2 2.88Å; R553-E620 PolarHBondContact NH2-O 2.98Å; R553-E620 IonicContact NH2-OE2 3.8Å; R553-E620 PolarHBondContact NH2-OE2 2.79Å; R553-N621 WeakPolarHBondContact CD-OD1 3.29Å; R553-N621 PolarHBondContact N-O 3.24Å
554	L	94	Very high	95	Very high	63 Å²	63	38.6 Å²	38.6	33%	0.33	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-13.6	-172.3	-57.9	177.4	0	0	0	115	L514 H552 T556 D557 R560	L514-L554 HydrophobicContact CD2-CB 3.81Å; H552-L554 PolarHBondContact ND1-N 3.4Å; H552-L554 PolarHBondContact O-N 3.25Å; L554-T556 PolarHBondContact O-N 3.01Å; L554-D557 PolarHBondContact O-N 3.2Å; L554-R560 WeakPolarHBondContact O-CD 3.4Å; L554-R560 PolarHBondContact O-NE 2.97Å
555	M	96.1	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-43.8	-169	-87.8	172.5	-177.3	0	0	112	L514 V516 Y548 A549 H552 R560 Y603	L514-M555 HydrophobicContact CD1-CE 3.8Å; L514-M555 HydrophobicContact CD1-CG 3.71Å; L514-M555 HydrophobicContact CG-CG 3.74Å; V516-M555 HydrophobicContact CG2-CE 4.28Å; V516-M555 HydrophobicContact CG2-SD 3.84Å; Y548-M555 HydrophobicContact CD1-CE 4.19Å; Y548-M555 HydrophobicContact CD1-SD 3.92Å; Y548-M555 HydrophobicContact CE1-CE 3.85Å; Y548-M555 HydrophobicContact CE1-SD 4.13Å; A549-M555 HydrophobicContact CB-CB 4.17Å; A549-M555 HydrophobicContact CB-SD 4.15Å; A549-M555 WeakPolarHBondContact O-CB 3.5Å; H552-M555 HydrophobicContact CB-CB 4.05Å; H552-M555 HydrophobicContact CB-CG 3.94Å; H552-M555 HydrophobicContact CB-SD 3.67Å; H552-M555 PolarHBondContact ND1-N 3.13Å; H552-M555 PolarHBondContact O-N 3.07Å; M555-R560 PolarHBondContact O-NE 3.42Å; M555-R560 PolarHBondContact O-NH2 3.27Å; M555-Y603 WeakPolarHBondContact CE-O 3.45Å
556	T	95.2	Very high	94.2	Very high	50 Å²	50	42.3 Å²	42.3	31%	0.307	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	3.9	178.7	49.9	0	0	0	0	114.5	A549 L554 A558 D572	A549-T556 HydrophobicContact CB-CG2 4.41Å; L554-T556 PolarHBondContact O-N 3.01Å; T556-A558 PolarHBondContact O-N 2.82Å; T556-A558 VanDerWaalsContact O-N 3.13Å; T556-D572 VanDerWaalsContact CG2-O 3.25Å; T556-D572 WeakPolarHBondContact CG2-O 3.42Å
557	D	93.1	Very high	93.9	Very high	55 Å²	55	40.6 Å²	40.6	29%	0.294	23%	0.229	S	C	.	.			trans	-74.2	104.3	-179.7	-177.8	-1.7	0	0	0	110.8	L554 S559 R560	L554-D557 PolarHBondContact O-N 3.2Å; D557-S559 VanDerWaalsContact CG-OG 3.29Å; D557-S559 PolarHBondContact O-N 3.01Å; D557-S559 VanDerWaalsContact O-N 3.1Å; D557-S559 WeakPolarHBondContact OD1-CA 3.36Å; D557-S559 WeakPolarHBondContact OD1-CB 3.41Å; D557-S559 PolarHBondContact OD1-N 3.24Å; D557-S559 PolarHBondContact OD1-OG 3.24Å; D557-S559 PolarHBondContact OD2-OG 2.95Å; D557-R560 HydrophobicContact CB-CB 4.39Å; D557-R560 WeakPolarHBondContact O-CB 3.48Å; D557-R560 VanDerWaalsContact O-CG 3.26Å; D557-R560 WeakPolarHBondContact O-CG 3.47Å; D557-R560 PolarHBondContact O-N 3.05Å; D557-R560 VanDerWaalsContact O-N 3.12Å
558	A	89.4	Confident	93.7	Very high	95 Å²	95	40.4 Å²	40.4	79%	0.785	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-4.3	178.4	0	0	0	0	0	114.8	T556	T556-A558 PolarHBondContact O-N 2.82Å; T556-A558 VanDerWaalsContact O-N 3.13Å
559	S	88.6	Confident	93.4	Very high	101 Å²	101	41 Å²	41	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-7.9	173.1	75.7	0	0	0	0	114.1	D557	D557-S559 VanDerWaalsContact CG-OG 3.29Å; D557-S559 PolarHBondContact O-N 3.01Å; D557-S559 VanDerWaalsContact O-N 3.1Å; D557-S559 WeakPolarHBondContact OD1-CA 3.36Å; D557-S559 WeakPolarHBondContact OD1-CB 3.41Å; D557-S559 PolarHBondContact OD1-N 3.24Å; D557-S559 PolarHBondContact OD1-OG 3.24Å; D557-S559 PolarHBondContact OD2-OG 2.95Å
560	R	90.4	Very high	93	Very high	39 Å²	39	48.7 Å²	48.7	15%	0.147	27%	0.266	C	S	.	.	S	Bend	trans	-68.2	167	-178.3	81.7	168.8	151.6	109	-13.8	113.5	L514 L554 M555 D557	L514-R560 PolarHBondContact O-NH2 2.99Å; L554-R560 WeakPolarHBondContact O-CD 3.4Å; L554-R560 PolarHBondContact O-NE 2.97Å; M555-R560 PolarHBondContact O-NE 3.42Å; M555-R560 PolarHBondContact O-NH2 3.27Å; D557-R560 HydrophobicContact CB-CB 4.39Å; D557-R560 WeakPolarHBondContact O-CB 3.48Å; D557-R560 VanDerWaalsContact O-CG 3.26Å; D557-R560 WeakPolarHBondContact O-CG 3.47Å; D557-R560 PolarHBondContact O-N 3.05Å; D557-R560 VanDerWaalsContact O-N 3.12Å
561	R	91.3	Very high	92.5	Very high	61 Å²	61	51.6 Å²	51.6	23%	0.23	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-80.6	141	165.3	-179	167.7	-178.7	76.1	-12.2	112	L137 D141 H157	L137-R561 HydrophobicContact CD1-CB 4.01Å; L137-R561 HydrophobicContact CD1-CG 3.88Å; D141-R561 VanDerWaalsContact CG-CZ 3.48Å; D141-R561 IonicContact OD1-CZ 2.75Å; D141-R561 IonicContact OD1-NE 3.45Å; D141-R561 PolarHBondContact OD1-NE 2.94Å; D141-R561 IonicContact OD1-NH1 3.99Å; D141-R561 PolarHBondContact OD1-NH1 2.87Å; D141-R561 VanDerWaalsContact OD1-NH1 3.11Å; D141-R561 IonicContact OD1-NH2 2.71Å; D141-R561 PolarHBondContact OD1-NH2 3.23Å; D141-R561 VanDerWaalsContact OD1-NH2 3.13Å; D141-R561 IonicContact OD2-CZ 2.68Å; D141-R561 VanDerWaalsContact OD2-CZ 3.29Å; D141-R561 IonicContact OD2-NH1 3.7Å; D141-R561 PolarHBondContact OD2-NH1 3.4Å; D141-R561 IonicContact OD2-NH2 2.69Å; D141-R561 PolarHBondContact OD2-NH2 3.12Å; H157-R561 PolarHBondContact O-NH2 2.94Å
562	V	93.1	Very high	92.3	Very high	20 Å²	20	54.3 Å²	54.3	12%	0.121	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-69.4	131.9	167.2	174.2	0	0	0	0	110.1	E566 D567	V562-E566 WeakPolarHBondContact CG1-O 3.46Å; V562-D567 HydrophobicContact CG2-CB 3.65Å
563	C	93.4	Very high	92.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.007	29%	0.286	C	S	.	.	S	Bend	trans	-60.4	-59.9	-179.4	-56.9	0	0	0	0	111.6	E513 C606	E513-C563 WeakPolarHBondContact OE1-CB 3.4Å; E513-C563 WeakPolarHBondContact OE2-CB 3.12Å; E513-C563 PolarHBondContact OE2-SG 2.03Å; C563-C606 HydrophobicContact CB-CB 3.56Å; C563-C606 WeakPolarHBondContact CB-SG 3.48Å; C563-C606 VanDerWaalsContact SG-CA 3.52Å; C563-C606 WeakPolarHBondContact SG-CB 3.18Å; C563-C606 CovalentContact SG-SG 2.03Å; C563-C606 PolarHBondContact SG-SG 2.79Å
564	H	93.6	Very high	92.3	Very high	16 Å²	16	49.2 Å²	49.2	7%	0.074	27%	0.269	C	S	.	.	S	Bend	trans	-128.4	-59.8	-174.8	-55.9	-37	0	0	0	114.1	R158 Q164 W433 G512 E513	R158-H564 PolarHBondContact NH1-O 2.93Å; R158-H564 PolarHBondContact NH2-O 3.03Å; Q164-H564 HydrophobicContact CB-CB 4.07Å; W433-H564 AromaticContact CH2-CD2 3.86Å; W433-H564 AromaticContact CH2-NE2 3.66Å; W433-H564 AromaticContact CZ2-CD2 3.88Å; W433-H564 AromaticContact CZ2-NE2 3.27Å; W433-H564 VanDerWaalsContact CZ2-NE2 3.27Å; W433-H564 WeakPolarHBondContact CZ2-NE2 3.42Å; G512-H564 PolarHBondContact O-CD2 3.25Å; G512-H564 VanDerWaalsContact O-CD2 3.27Å; G512-H564 PolarHBondContact O-NE2 2.92Å; G512-H564 VanDerWaalsContact O-NE2 3.14Å; E513-H564 IonicContact OE1-CD2 3.53Å; E513-H564 IonicContact OE1-CG 3.93Å; E513-H564 PolarHBondContact OE1-N 3.32Å
565	T	90.2	Very high	92.5	Very high	31 Å²	31	46.8 Å²	46.8	19%	0.19	26%	0.256	C	S	.	.	S	Bend	trans	-142.7	-33.4	-170.2	54.4	0	0	0	0	114	Y173	Y173-T565 WeakPolarHBondContact CD2-O 3.19Å; Y173-T565 WeakPolarHBondContact CE2-O 3.37Å
566	E	89.4	Confident	92.6	Very high	49 Å²	49	47 Å²	47	23%	0.229	26%	0.258	C	S	.	.			trans	-117.8	133.3	-168.2	-78.9	165.5	-166.7	0	0	112	R530 V562 F568 W580	R530-E566 IonicContact CZ-OE1 2.74Å; R530-E566 IonicContact CZ-OE2 2.76Å; R530-E566 IonicContact NH1-OE1 2.7Å; R530-E566 PolarHBondContact NH1-OE1 3.33Å; R530-E566 IonicContact NH1-OE2 2.95Å; R530-E566 VanDerWaalsContact NH2-CD 3.32Å; R530-E566 IonicContact NH2-OE1 3.61Å; R530-E566 PolarHBondContact NH2-OE1 2.88Å; R530-E566 IonicContact NH2-OE2 2.68Å; R530-E566 PolarHBondContact NH2-OE2 2.88Å; V562-E566 WeakPolarHBondContact CG1-O 3.46Å; E566-F568 HydrophobicContact CB-CE1 3.94Å; E566-F568 HydrophobicContact CB-CE2 3.93Å; E566-F568 HydrophobicContact CB-CZ 3.51Å; E566-F568 WeakPolarHBondContact O-CD2 3.43Å; E566-F568 PolarHBondContact O-N 3.27Å; E566-W580 PolarHBondContact OE2-NE1 2.83Å; E566-W580 VanDerWaalsContact OE2-NE1 3.09Å
567	D	91.9	Very high	92.6	Very high	49 Å²	49	44.7 Å²	44.7	26%	0.262	24%	0.243	S	C	.	.			trans	-100.1	77	-171.3	-171.9	0.7	0	0	0	111.4	V562 A569 K570	V562-D567 HydrophobicContact CG2-CB 3.65Å; D567-A569 PolarHBondContact O-N 3.38Å; D567-A569 VanDerWaalsContact O-N 3.13Å; D567-A569 WeakPolarHBondContact OD1-CB 3.39Å; D567-A569 PolarHBondContact OD1-N 2.86Å; D567-K570 HydrophobicContact CB-CD 4.48Å; D567-K570 HydrophobicContact CB-CG 4.44Å; D567-K570 WeakPolarHBondContact O-CB 3.3Å; D567-K570 PolarHBondContact O-N 2.88Å; D567-K570 VanDerWaalsContact O-N 3.07Å; D567-K570 IonicContact OD2-NZ 3.16Å; D567-K570 PolarHBondContact OD2-NZ 3.06Å
568	F	93.9	Very high	92.8	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.022	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-63.4	-15	-178.3	-53.4	-68.9	0	0	0	114.1	E513 V515 E566 K570 E571 G573 I575 W580	E513-F568 HydrophobicContact CG-CE2 3.98Å; V515-F568 HydrophobicContact CB-CB 3.87Å; V515-F568 HydrophobicContact CB-CD1 4.17Å; V515-F568 HydrophobicContact CB-CD2 3.71Å; V515-F568 HydrophobicContact CB-CE2 4.32Å; V515-F568 HydrophobicContact CB-CG 3.63Å; V515-F568 HydrophobicContact CG1-CD2 4.07Å; V515-F568 HydrophobicContact CG1-CE2 4.17Å; V515-F568 HydrophobicContact CG1-CG 4.29Å; V515-F568 HydrophobicContact CG1-CZ 4.47Å; V515-F568 HydrophobicContact CG2-CB 3.72Å; V515-F568 HydrophobicContact CG2-CD1 3.73Å; V515-F568 HydrophobicContact CG2-CD2 4.2Å; V515-F568 HydrophobicContact CG2-CE1 4.43Å; V515-F568 HydrophobicContact CG2-CG 3.6Å; E566-F568 HydrophobicContact CB-CE1 3.94Å; E566-F568 HydrophobicContact CB-CE2 3.93Å; E566-F568 HydrophobicContact CB-CZ 3.51Å; E566-F568 WeakPolarHBondContact O-CD2 3.43Å; E566-F568 PolarHBondContact O-N 3.27Å; F568-K570 PolarHBondContact O-N 3.5Å; F568-E571 CarbonylContact O-C 3.6Å; F568-E571 PolarHBondContact O-N 3.14Å; F568-G573 VanDerWaalsContact O-CA 3.31Å; F568-G573 WeakPolarHBondContact O-CA 3.29Å; F568-G573 PolarHBondContact O-N 3.22Å; F568-I575 HydrophobicContact CD1-CB 4.43Å; F568-I575 HydrophobicContact CD1-CD1 4.16Å; F568-I575 HydrophobicContact CD1-CG2 4.45Å; F568-I575 HydrophobicContact CE1-CD1 3.85Å; F568-I575 HydrophobicContact CE1-CG2 4.37Å; F568-W580 HydrophobicContact CZ-CD2 4.41Å; F568-W580 AromaticContact CZ-CE2 3.78Å; F568-W580 HydrophobicContact CZ-CZ2 4.13Å; F568-W580 AromaticContact CZ-NE1 3.53Å
569	A	92	Very high	93	Very high	13 Å²	13	39.5 Å²	39.5	11%	0.107	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-64.3	-22	172.9	0	0	0	0	0	112.1	D567 E571	D567-A569 PolarHBondContact O-N 3.38Å; D567-A569 VanDerWaalsContact O-N 3.13Å; D567-A569 WeakPolarHBondContact OD1-CB 3.39Å; D567-A569 PolarHBondContact OD1-N 2.86Å; A569-E571 VanDerWaalsContact C-N 3.3Å
570	K	89.9	Confident	93.2	Very high	162 Å²	162	36.1 Å²	36.1	70%	0.704	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-73.3	-17.2	171.7	-64.3	-173.1	171.8	80.8	0	114.2	D567 F568	D567-K570 HydrophobicContact CB-CD 4.48Å; D567-K570 HydrophobicContact CB-CG 4.44Å; D567-K570 WeakPolarHBondContact O-CB 3.3Å; D567-K570 PolarHBondContact O-N 2.88Å; D567-K570 VanDerWaalsContact O-N 3.07Å; D567-K570 IonicContact OD2-NZ 3.16Å; D567-K570 PolarHBondContact OD2-NZ 3.06Å; F568-K570 PolarHBondContact O-N 3.5Å
571	E	87.9	Confident	93.2	Very high	111 Å²	111	38 Å²	38	52%	0.519	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-115.4	38.8	178	-64.3	-172	-154.7	0	0	110.7	F568 A569 G573 T574	F568-E571 CarbonylContact O-C 3.6Å; F568-E571 PolarHBondContact O-N 3.14Å; A569-E571 VanDerWaalsContact C-N 3.3Å; E571-G573 PolarHBondContact O-N 3.02Å; E571-G573 VanDerWaalsContact O-N 3.12Å; E571-T574 WeakPolarHBondContact CB-O 3.08Å; E571-T574 PolarHBondContact O-N 2.92Å; E571-T574 VanDerWaalsContact O-O 3.1Å; E571-T574 PolarHBondContact O-OG1 2.97Å
572	D	93.4	Very high	93.2	Very high	99 Å²	99	37.8 Å²	37.8	53%	0.529	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	27.7	179.1	-61.6	-51.1	0	0	0	114.1	F546 T556 T574	F546-D572 HydrophobicContact CD2-CB 3.8Å; F546-D572 HydrophobicContact CE2-CB 3.86Å; T556-D572 VanDerWaalsContact CG2-O 3.25Å; T556-D572 WeakPolarHBondContact CG2-O 3.42Å; D572-T574 VanDerWaalsContact C-N 3.28Å; D572-T574 PolarHBondContact O-N 3.28Å
573	G	95.1	Very high	93.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	16.7	-176.9	0	0	0	0	0	114.2	V516 F568 E571	V516-G573 PolarHBondContact N-O 3.05Å; F568-G573 VanDerWaalsContact O-CA 3.31Å; F568-G573 WeakPolarHBondContact O-CA 3.29Å; F568-G573 PolarHBondContact O-N 3.22Å; E571-G573 PolarHBondContact O-N 3.02Å; E571-G573 VanDerWaalsContact O-N 3.12Å
574	T	97.2	Very high	93.2	Very high	14 Å²	14	39.6 Å²	39.6	9%	0.086	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152	-175.3	69.6	0	0	0	0	112.3	V516 A545 F546 A549 E571 D572	V516-T574 WeakPolarHBondContact O-CA 3.19Å; A545-T574 HydrophobicContact CB-CG2 3.62Å; F546-T574 HydrophobicContact CB-CG2 4.37Å; A549-T574 HydrophobicContact CB-CG2 3.96Å; E571-T574 WeakPolarHBondContact CB-O 3.08Å; E571-T574 PolarHBondContact O-N 2.92Å; E571-T574 VanDerWaalsContact O-O 3.1Å; E571-T574 PolarHBondContact O-OG1 2.97Å; D572-T574 VanDerWaalsContact C-N 3.28Å; D572-T574 PolarHBondContact O-N 3.28Å
575	I	97.1	Very high	93.3	Very high	12 Å²	12	39 Å²	39	6%	0.062	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	146.1	171.3	-163	161.1	0	0	0	112.2	V515 V516 T517 F518 F568 W580	V515-I575 HydrophobicContact CG2-CB 4.23Å; V515-I575 HydrophobicContact CG2-CG2 3.74Å; V516-I575 PolarHBondContact O-N 2.97Å; T517-I575 VanDerWaalsContact CA-O 3.28Å; T517-I575 WeakPolarHBondContact CA-O 3.17Å; T517-I575 HydrophobicContact CG2-CG2 3.88Å; F518-I575 VanDerWaalsContact CD1-O 3.24Å; F518-I575 WeakPolarHBondContact CD1-O 3.16Å; F518-I575 WeakPolarHBondContact CE1-O 3.45Å; F518-I575 PolarHBondContact N-O 3.13Å; F518-I575 VanDerWaalsContact N-O 3.13Å; F568-I575 HydrophobicContact CD1-CB 4.43Å; F568-I575 HydrophobicContact CD1-CD1 4.16Å; F568-I575 HydrophobicContact CD1-CG2 4.45Å; F568-I575 HydrophobicContact CE1-CD1 3.85Å; F568-I575 HydrophobicContact CE1-CG2 4.37Å; I575-W580 HydrophobicContact CD1-CB 3.91Å; I575-W580 HydrophobicContact CD1-CG 4.45Å; I575-W580 HydrophobicContact CG1-CB 4.29Å; I575-W580 HydrophobicContact CG2-CB 4.03Å; I575-W580 HydrophobicContact CG2-CG 4.44Å
576	N	97.5	Very high	93.6	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	130.1	168	164.6	-116.6	0	0	0	109.3	F518 P519 Y520 Q532 T533 A578 S579 W580	F518-N576 HydrophobicContact CD2-CB 4.38Å; F518-N576 HydrophobicContact CE2-CB 3.75Å; F518-N576 HydrophobicContact CZ-CB 3.88Å; F518-N576 WeakPolarHBondContact O-CA 3.32Å; F518-N576 PolarHBondContact O-ND2 3.2Å; F518-N576 VanDerWaalsContact O-ND2 3.13Å; P519-N576 VanDerWaalsContact C-ND2 3.28Å; P519-N576 PolarHBondContact O-ND2 3.39Å; Y520-N576 PolarHBondContact N-ND2 2.83Å; Y520-N576 PolarHBondContact O-ND2 2.88Å; Q532-N576 WeakPolarHBondContact CA-OD1 3.4Å; Q532-N576 HydrophobicContact CG-CB 4.24Å; T533-N576 PolarHBondContact N-OD1 2.92Å; T533-N576 PolarHBondContact O-ND2 3.32Å; N576-A578 PolarHBondContact O-N 2.7Å; N576-S579 WeakPolarHBondContact O-CA 3.28Å; N576-S579 WeakPolarHBondContact O-CB 3.48Å; N576-S579 PolarHBondContact O-N 3.39Å; N576-S579 PolarHBondContact OD1-N 3.4Å; N576-W580 PolarHBondContact O-N 2.93Å
577	G	96.2	Very high	94	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-54.7	-47.3	-172.6	0	0	0	0	0	113.9	F518 D521 S579 W580 H581	F518-G577 PolarHBondContact O-N 2.84Å; D521-G577 WeakPolarHBondContact OD1-CA 3.46Å; G577-S579 PolarHBondContact O-N 3.12Å; G577-W580 PolarHBondContact O-N 3Å; G577-H581 CarbonylContact O-C 3.6Å; G577-H581 PolarHBondContact O-N 2.75Å
578	A	96.3	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-22.2	177.2	0	0	0	0	0	114.3	Y520 D521 R522 T523 R530 E531 N576	Y520-A578 WeakPolarHBondContact O-CB 3.39Å; Y520-A578 PolarHBondContact O-N 3.42Å; D521-A578 VanDerWaalsContact O-CA 3.28Å; D521-A578 WeakPolarHBondContact O-CA 3.43Å; D521-A578 PolarHBondContact O-N 2.97Å; R522-A578 VanDerWaalsContact C-CB 3.46Å; T523-A578 HydrophobicContact CG2-CB 3.88Å; T523-A578 VanDerWaalsContact CG2-O 3.29Å; T523-A578 WeakPolarHBondContact CG2-O 3.38Å; R530-A578 WeakPolarHBondContact CA-O 3.45Å; E531-A578 PolarHBondContact N-O 2.78Å; E531-A578 CarbonylContact O-C 3.53Å; E531-A578 VanDerWaalsContact O-C 3.3Å; E531-A578 VanDerWaalsContact O-CB 3.28Å; E531-A578 WeakPolarHBondContact O-CB 3.31Å; N576-A578 PolarHBondContact O-N 2.7Å
579	S	94.9	Very high	94.5	Very high	40 Å²	40	32.8 Å²	32.8	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-74.9	-35.9	171.7	-157.2	0	0	0	0	111.5	R530 N576 G577	R530-S579 WeakPolarHBondContact CB-O 3.34Å; R530-S579 WeakPolarHBondContact CG-O 3.38Å; N576-S579 WeakPolarHBondContact O-CA 3.28Å; N576-S579 WeakPolarHBondContact O-CB 3.48Å; N576-S579 PolarHBondContact O-N 3.39Å; N576-S579 PolarHBondContact OD1-N 3.4Å; G577-S579 PolarHBondContact O-N 3.12Å
580	W	93.1	Very high	94.8	Very high	30 Å²	30	32.2 Å²	32.2	11%	0.114	17%	0.171	C	C	.	.	H	α-helix	trans	-78.3	-50.4	177.9	-172.8	28.8	0	0	0	112.8	E513 V515 T517 R530 E566 F568 I575 N576 G577 Y603	E513-W580 HydrophobicContact CB-CH2 4.16Å; E513-W580 HydrophobicContact CB-CZ2 4.32Å; E513-W580 HydrophobicContact CG-CH2 4.24Å; E513-W580 HydrophobicContact CG-CZ2 3.9Å; V515-W580 HydrophobicContact CG1-CH2 4.38Å; V515-W580 HydrophobicContact CG1-CZ3 4.33Å; T517-W580 HydrophobicContact CG2-CE3 3.63Å; T517-W580 HydrophobicContact CG2-CZ3 3.76Å; R530-W580 PolarHBondContact NE-O 3.4Å; R530-W580 PolarHBondContact NH2-O 3.18Å; E566-W580 PolarHBondContact OE2-NE1 2.83Å; E566-W580 VanDerWaalsContact OE2-NE1 3.09Å; F568-W580 HydrophobicContact CZ-CD2 4.41Å; F568-W580 AromaticContact CZ-CE2 3.78Å; F568-W580 HydrophobicContact CZ-CZ2 4.13Å; F568-W580 AromaticContact CZ-NE1 3.53Å; I575-W580 HydrophobicContact CD1-CB 3.91Å; I575-W580 HydrophobicContact CD1-CG 4.45Å; I575-W580 HydrophobicContact CG1-CB 4.29Å; I575-W580 HydrophobicContact CG2-CB 4.03Å; I575-W580 HydrophobicContact CG2-CG 4.44Å; N576-W580 PolarHBondContact O-N 2.93Å; G577-W580 PolarHBondContact O-N 3Å; W580-Y603 HydrophobicContact CH2-CD1 4.38Å; W580-Y603 HydrophobicContact CH2-CD2 4.48Å; W580-Y603 HydrophobicContact CH2-CE1 4.24Å; W580-Y603 HydrophobicContact CH2-CE2 4.37Å; W580-Y603 HydrophobicContact CZ3-CD2 4.07Å; W580-Y603 HydrophobicContact CZ3-CE1 4.22Å; W580-Y603 AromaticContact CZ3-CE2 3.67Å; W580-Y603 HydrophobicContact CZ3-CE2 3.67Å; W580-Y603 AromaticContact CZ3-CZ 3.75Å
581	H	89.1	Confident	95.2	Very high	78 Å²	78	24.5 Å²	24.5	36%	0.361	14%	0.138	S	C	.	.			trans	-163.4	135.9	169.7	51.5	33.3	0	0	0	110.8	G577 A583	G577-H581 CarbonylContact O-C 3.6Å; G577-H581 PolarHBondContact O-N 2.75Å; H581-A583 PolarHBondContact O-N 2.75Å
582	T	92.8	Very high	95.7	Very high	57 Å²	57	19.2 Å²	19.2	35%	0.35	11%	0.113	S	C	.	.			trans	-65.4	119.9	176	-164.3	0	0	0	0	111.8	T523 T529	T523-T582 WeakPolarHBondContact CB-OG1 3.45Å; T523-T582 PolarHBondContact N-OG1 3.36Å; T523-T582 VanDerWaalsContact OG1-CB 3.28Å; T523-T582 WeakPolarHBondContact OG1-CB 3.39Å; T523-T582 PolarHBondContact OG1-OG1 3.46Å; T529-T582 PolarHBondContact O-N 3.03Å
583	A	92.3	Very high	95.9	Very high	12 Å²	12	14.5 Å²	14.5	10%	0.099	9%	0.088	C	C	.	.			trans	-129.8	119.6	176.1	0	0	0	0	0	110.4	D521 R522 H581	D521-A583 CarbonylContact C-O 3.54Å; D521-A583 HydrophobicContact CB-CB 4.35Å; D521-A583 PolarHBondContact O-N 3.37Å; R522-A583 WeakPolarHBondContact CA-O 3.48Å; R522-A583 WeakPolarHBondContact CB-O 3.21Å; R522-A583 PolarHBondContact N-O 3.39Å; H581-A583 PolarHBondContact O-N 2.75Å
584	A	93.6	Very high	96.1	Very high	48 Å²	48	15.7 Å²	15.7	40%	0.397	9%	0.093	S	C	.	.	S	Bend	trans	-93	144.6	175.5	0	0	0	0	0	110.7	R522	R522-A584 HydrophobicContact CG-CB 4.29Å
585	G	95	Very high	96.1	Very high	4 Å²	4	15.5 Å²	15.5	4%	0.041	9%	0.092	C	C	.	.	S	Bend	trans	70.1	34	179.9	0	0	0	0	0	113.5	H447 N448 F449	H447-G585 CarbonylContact C-O 3.52Å; H447-G585 WeakPolarHBondContact CA-O 3.27Å; N448-G585 PolarHBondContact N-O 3.1Å; F449-G585 WeakPolarHBondContact CB-O 3.15Å; F449-G585 PolarHBondContact N-O 2.79Å; F449-G585 WeakPolarHBondContact O-CA 3.39Å
586	S	97.1	Very high	96.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.094	C	C	.	.			trans	-73.7	155.2	176.1	82.8	0	0	0	0	112.3	H446 D521 N588 D589 F590	H446-S586 CarbonylContact O-C 3.59Å; H446-S586 VanDerWaalsContact O-CA 3.24Å; H446-S586 WeakPolarHBondContact O-CA 3.32Å; D521-S586 WeakPolarHBondContact OD2-CB 3.47Å; D521-S586 PolarHBondContact OD2-OG 3.13Å; S586-N588 VanDerWaalsContact C-N 3.32Å; S586-D589 WeakPolarHBondContact OG-CB 3.47Å; S586-D589 PolarHBondContact OG-N 3.48Å; S586-D589 VanDerWaalsContact OG-N 3.1Å; S586-F590 WeakPolarHBondContact O-CB 3.21Å; S586-F590 PolarHBondContact O-N 2.76Å
587	M	97.7	Very high	96.3	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-64.3	-36.8	173.6	-169.2	163.3	69	0	0	112.3	T368 H446 F449 L494 M498 N508 S591	T368-M587 WeakPolarHBondContact OG1-CE 3.38Å; H446-M587 PolarHBondContact O-N 3.24Å; F449-M587 HydrophobicContact CD2-CB 3.83Å; F449-M587 HydrophobicContact CD2-CG 4.28Å; F449-M587 HydrophobicContact CE1-CG 4.28Å; F449-M587 HydrophobicContact CE2-CB 3.54Å; F449-M587 HydrophobicContact CE2-CG 3.63Å; F449-M587 HydrophobicContact CE2-SD 3.9Å; F449-M587 HydrophobicContact CZ-CB 4.08Å; F449-M587 HydrophobicContact CZ-CG 3.63Å; F449-M587 HydrophobicContact CZ-SD 3.73Å; L494-M587 HydrophobicContact CD1-SD 3.94Å; M498-M587 HydrophobicContact CE-CG 3.6Å; M498-M587 HydrophobicContact CE-SD 3.63Å; N508-M587 HydrophobicContact CB-CE 3.58Å; N508-M587 VanDerWaalsContact CG-CE 3.41Å; M587-S591 WeakPolarHBondContact O-CB 3.36Å; M587-S591 PolarHBondContact O-N 3.09Å
588	N	97.7	Very high	96.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-48.8	-178.1	-44.6	-61.2	0	0	0	111	H446 P519 D521 S586 F590 S591 Y592 E599 S601	H446-N588 PolarHBondContact NE2-ND2 2.95Å; P519-N588 HydrophobicContact CG-CB 3.75Å; D521-N588 WeakPolarHBondContact OD2-CB 3.33Å; D521-N588 PolarHBondContact OD2-ND2 3.32Å; S586-N588 VanDerWaalsContact C-N 3.32Å; N588-F590 PolarHBondContact O-N 2.88Å; N588-S591 PolarHBondContact O-N 3.4Å; N588-Y592 PolarHBondContact O-N 2.97Å; N588-E599 HydrophobicContact CB-CB 4.43Å; N588-E599 HydrophobicContact CB-CG 4.45Å; N588-S601 PolarHBondContact ND2-OG 2.74Å; N588-S601 PolarHBondContact OD1-OG 2.98Å
589	D	98.4	Very high	96.5	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-66.8	-38	179.4	-72.5	5.2	0	0	0	111.3	N453 P519 Y520 D521 R522 S586 L593	N453-D589 PolarHBondContact ND2-OD2 3.33Å; P519-D589 WeakPolarHBondContact CB-OD1 3.48Å; Y520-D589 VanDerWaalsContact CA-OD1 3.27Å; Y520-D589 WeakPolarHBondContact CA-OD1 3.22Å; Y520-D589 HydrophobicContact CD1-CB 4.45Å; D521-D589 VanDerWaalsContact N-CG 3.32Å; D521-D589 PolarHBondContact N-OD1 3.27Å; D521-D589 PolarHBondContact N-OD2 3.31Å; R522-D589 PolarHBondContact N-OD2 2.71Å; S586-D589 WeakPolarHBondContact OG-CB 3.47Å; S586-D589 PolarHBondContact OG-N 3.48Å; S586-D589 VanDerWaalsContact OG-N 3.1Å; D589-L593 VanDerWaalsContact O-CB 3.24Å; D589-L593 WeakPolarHBondContact O-CB 3.33Å; D589-L593 VanDerWaalsContact O-CG 3.23Å; D589-L593 WeakPolarHBondContact O-CG 3.27Å; D589-L593 PolarHBondContact O-N 2.84Å
590	F	98.4	Very high	96.6	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.009	8%	0.08	C	C	.	.	H	α-helix	trans	-62.7	-48.9	174	176.3	-98.5	0	0	0	112.3	F449 P450 L452 I495 M498 S586 N588 Y592 L593 H594	F449-F590 HydrophobicContact CB-CB 3.7Å; F449-F590 HydrophobicContact CB-CD2 4.41Å; F449-F590 HydrophobicContact CB-CG 4.02Å; F449-F590 HydrophobicContact CD1-CB 3.89Å; F449-F590 AromaticContact CD1-CD1 3.42Å; F449-F590 HydrophobicContact CD1-CD1 3.42Å; F449-F590 VanDerWaalsContact CD1-CD1 3.42Å; F449-F590 HydrophobicContact CD1-CD2 4.31Å; F449-F590 HydrophobicContact CD1-CE1 4.03Å; F449-F590 AromaticContact CD1-CG 3.58Å; F449-F590 HydrophobicContact CD1-CG 3.58Å; F449-F590 AromaticContact CE1-CD1 3.88Å; F449-F590 HydrophobicContact CE1-CD1 3.88Å; F449-F590 HydrophobicContact CE1-CE1 4.31Å; F449-F590 HydrophobicContact CE1-CG 4.46Å; F449-F590 HydrophobicContact CG-CB 3.99Å; F449-F590 HydrophobicContact CG-CD1 4.36Å; F449-F590 HydrophobicContact CG-CG 4.14Å; P450-F590 HydrophobicContact CG-CD2 3.51Å; P450-F590 HydrophobicContact CG-CE2 3.47Å; P450-F590 VanDerWaalsContact CG-CE2 3.47Å; L452-F590 HydrophobicContact CD1-CD2 3.66Å; L452-F590 HydrophobicContact CD1-CE2 3.94Å; L452-F590 HydrophobicContact CG-CD2 4.23Å; I495-F590 HydrophobicContact CB-CE1 4.4Å; I495-F590 HydrophobicContact CB-CZ 4.36Å; I495-F590 HydrophobicContact CD1-CZ 4.39Å; I495-F590 HydrophobicContact CG1-CE1 3.82Å; I495-F590 HydrophobicContact CG1-CZ 3.87Å; I495-F590 HydrophobicContact CG2-CE1 4.32Å; I495-F590 HydrophobicContact CG2-CZ 3.86Å; M498-F590 HydrophobicContact SD-CD1 3.71Å; M498-F590 HydrophobicContact SD-CE1 3.64Å; S586-F590 WeakPolarHBondContact O-CB 3.21Å; S586-F590 PolarHBondContact O-N 2.76Å; N588-F590 PolarHBondContact O-N 2.88Å; F590-Y592 VanDerWaalsContact C-N 3.31Å; F590-Y592 PolarHBondContact O-N 2.58Å; F590-L593 PolarHBondContact O-N 2.63Å; F590-H594 HydrophobicContact CD1-CB 4.4Å; F590-H594 HydrophobicContact CD2-CB 3.93Å; F590-H594 HydrophobicContact CE1-CB 4.03Å; F590-H594 HydrophobicContact CE2-CB 3.53Å; F590-H594 AromaticContact CE2-CG 3.51Å; F590-H594 AromaticContact CE2-ND1 3.92Å; F590-H594 HydrophobicContact CG-CB 4.36Å; F590-H594 HydrophobicContact CZ-CB 3.59Å; F590-H594 AromaticContact CZ-CD2 3.45Å; F590-H594 VanDerWaalsContact CZ-CD2 3.45Å; F590-H594 WeakPolarHBondContact CZ-CD2 3.27Å; F590-H594 AromaticContact CZ-CG 3.41Å; F590-H594 VanDerWaalsContact CZ-CG 3.41Å; F590-H594 WeakPolarHBondContact O-CB 3.32Å; F590-H594 PolarHBondContact O-N 3.35Å
591	S	98.1	Very high	96.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-54.3	-50	-179.5	-177.6	0	0	0	0	111	R366 M587 N588 T595 C597	R366-S591 PolarHBondContact NH2-OG 3.31Å; M587-S591 WeakPolarHBondContact O-CB 3.36Å; M587-S591 PolarHBondContact O-N 3.09Å; N588-S591 PolarHBondContact O-N 3.4Å; S591-T595 WeakPolarHBondContact O-CB 3.26Å; S591-T595 PolarHBondContact O-N 3.48Å; S591-T595 PolarHBondContact O-OG1 2.65Å; S591-C597 CarbonylContact C-O 3.56Å; S591-C597 VanDerWaalsContact OG-CB 3.28Å; S591-C597 WeakPolarHBondContact OG-CB 3.19Å; S591-C597 PolarHBondContact OG-O 2.92Å
592	Y	98.6	Very high	97.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-68.9	-38.6	-179.3	-179.6	-110.7	0	0	0	113.4	Y520 T535 D537 F541 N588 F590 C597 F598 H661	Y520-Y592 AromaticContact CE1-CD1 3.96Å; Y520-Y592 HydrophobicContact CE1-CD1 3.96Å; Y520-Y592 HydrophobicContact CE1-CE1 4.18Å; T535-Y592 HydrophobicContact CG2-CD1 4.13Å; T535-Y592 HydrophobicContact CG2-CE1 3.77Å; D537-Y592 PolarHBondContact OD2-OH 3.5Å; D537-Y592 VanDerWaalsContact OD2-OH 3.09Å; F541-Y592 AromaticContact CE2-CD2 3.77Å; F541-Y592 HydrophobicContact CE2-CD2 3.77Å; F541-Y592 AromaticContact CE2-CE2 3.62Å; F541-Y592 HydrophobicContact CE2-CE2 3.62Å; F541-Y592 HydrophobicContact CE2-CG 4.31Å; F541-Y592 AromaticContact CZ-CD2 3.6Å; F541-Y592 HydrophobicContact CZ-CD2 3.6Å; F541-Y592 AromaticContact CZ-CE2 3.96Å; F541-Y592 HydrophobicContact CZ-CE2 3.96Å; F541-Y592 HydrophobicContact CZ-CG 4.01Å; N588-Y592 PolarHBondContact O-N 2.97Å; F590-Y592 VanDerWaalsContact C-N 3.31Å; F590-Y592 PolarHBondContact O-N 2.58Å; Y592-C597 PolarHBondContact N-O 2.79Å; Y592-F598 HydrophobicContact CD2-CD1 4.3Å; Y592-F598 HydrophobicContact CD2-CE1 4.3Å; Y592-F598 HydrophobicContact CE2-CD1 4.46Å; Y592-F598 HydrophobicContact CE2-CE1 4.03Å; Y592-F598 HydrophobicContact CE2-CE2 4.3Å; Y592-F598 AromaticContact CE2-CZ 3.94Å; Y592-F598 HydrophobicContact CE2-CZ 3.94Å; Y592-H661 AromaticContact CD2-NE2 3.94Å; Y592-H661 AromaticContact CE2-CD2 3.5Å; Y592-H661 VanDerWaalsContact CE2-CD2 3.5Å; Y592-H661 WeakPolarHBondContact CE2-CD2 3.49Å; Y592-H661 AromaticContact CE2-NE2 3.52Å; Y592-H661 AromaticContact CZ-CD2 3.65Å; Y592-H661 AromaticContact CZ-CG 3.79Å; Y592-H661 AromaticContact CZ-NE2 3.93Å; Y592-H661 PolarHBondContact O-CE1 3.36Å; Y592-H661 WeakPolarHBondContact OH-CB 3.45Å
593	L	98.4	Very high	97.6	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-82.4	-26.2	-178.6	-67.8	176.5	0	0	0	114	L452 N453 L456 H473 I474 Y520 D589 F590	L452-L593 HydrophobicContact CB-CB 3.85Å; L452-L593 HydrophobicContact CB-CD1 3.72Å; L452-L593 HydrophobicContact CB-CG 4.44Å; L452-L593 HydrophobicContact CD1-CB 3.92Å; N453-L593 HydrophobicContact CB-CD1 4.49Å; L456-L593 HydrophobicContact CD2-CD2 3.85Å; H473-L593 WeakPolarHBondContact CA-O 3.37Å; H473-L593 PolarHBondContact N-O 3.04Å; I474-L593 HydrophobicContact CD1-CB 4.34Å; I474-L593 HydrophobicContact CD1-CD2 4.17Å; I474-L593 PolarHBondContact N-O 3.44Å; Y520-L593 HydrophobicContact CE1-CD1 4.03Å; Y520-L593 HydrophobicContact CE1-CD2 3.92Å; Y520-L593 HydrophobicContact CE1-CG 4.04Å; D589-L593 VanDerWaalsContact O-CB 3.24Å; D589-L593 WeakPolarHBondContact O-CB 3.33Å; D589-L593 VanDerWaalsContact O-CG 3.23Å; D589-L593 WeakPolarHBondContact O-CG 3.27Å; D589-L593 PolarHBondContact O-N 2.84Å; F590-L593 PolarHBondContact O-N 2.63Å
594	H	98.2	Very high	97.8	Very high	24 Å²	24	6.1 Å²	6.1	11%	0.111	4%	0.039	C	C	.	.	H	α-helix	trans	-99.9	-27.6	-175.7	-161.7	70.7	0	0	0	114.4	L452 H473 I474 T476 E499 F590	L452-H594 HydrophobicContact CD1-CB 3.72Å; H473-H594 VanDerWaalsContact CA-O 3.3Å; H473-H594 WeakPolarHBondContact CA-O 3.27Å; I474-H594 PolarHBondContact O-ND1 3.03Å; T476-H594 PolarHBondContact OG1-CE1 3.48Å; T476-H594 VanDerWaalsContact OG1-CE1 3.23Å; E499-H594 IonicContact OE1-NE2 3.49Å; E499-H594 PolarHBondContact OE1-NE2 2.76Å; F590-H594 HydrophobicContact CD1-CB 4.4Å; F590-H594 HydrophobicContact CD2-CB 3.93Å; F590-H594 HydrophobicContact CE1-CB 4.03Å; F590-H594 HydrophobicContact CE2-CB 3.53Å; F590-H594 AromaticContact CE2-CG 3.51Å; F590-H594 AromaticContact CE2-ND1 3.92Å; F590-H594 HydrophobicContact CG-CB 4.36Å; F590-H594 HydrophobicContact CZ-CB 3.59Å; F590-H594 AromaticContact CZ-CD2 3.45Å; F590-H594 VanDerWaalsContact CZ-CD2 3.45Å; F590-H594 WeakPolarHBondContact CZ-CD2 3.27Å; F590-H594 AromaticContact CZ-CG 3.41Å; F590-H594 VanDerWaalsContact CZ-CG 3.41Å; F590-H594 WeakPolarHBondContact O-CB 3.32Å; F590-H594 PolarHBondContact O-N 3.35Å
595	T	98.3	Very high	97.8	Very high	11 Å²	11	4.1 Å²	4.1	7%	0.067	2%	0.023	C	C	.	.	S	Bend	trans	-125.1	-158.3	-173.1	77	0	0	0	0	111.8	H473 M498 S591 C597	H473-T595 PolarHBondContact CE1-O 2.67Å; H473-T595 PolarHBondContact ND1-O 2.8Å; M498-T595 HydrophobicContact CB-CG2 4.16Å; S591-T595 WeakPolarHBondContact O-CB 3.26Å; S591-T595 PolarHBondContact O-N 3.48Å; S591-T595 PolarHBondContact O-OG1 2.65Å; T595-C597 WeakPolarHBondContact OG1-CB 3.35Å; T595-C597 PolarHBondContact OG1-N 3.13Å
596	N	98.4	Very high	97.8	Very high	18 Å²	18	4.9 Å²	4.9	10%	0.096	3%	0.027	C	C	.	.	S	Bend	trans	-92.6	-12.9	165.1	-74	-29.9	0	0	0	112.6	H473 F503 F598 V663 R664	H473-N596 PolarHBondContact CE1-OD1 3.28Å; H473-N596 VanDerWaalsContact CE1-OD1 3.27Å; F503-N596 CarbonylContact O-C 3.56Å; N596-F598 PolarHBondContact O-N 3.23Å; N596-V663 HydrophobicContact CB-CG1 4.41Å; N596-V663 WeakPolarHBondContact OD1-CA 3.49Å; N596-V663 VanDerWaalsContact OD1-CB 3.27Å; N596-V663 WeakPolarHBondContact OD1-CB 3.34Å; N596-R664 PolarHBondContact ND2-O 3.44Å; N596-R664 PolarHBondContact OD1-N 3.26Å
597	C	98.7	Very high	97.7	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.007	3%	0.032	C	C	.	.			trans	-80.9	117.1	-161.8	-177.4	0	0	0	0	112.3	F503 S591 Y592 T595 E599	F503-C597 HydrophobicContact CB-CB 3.64Å; F503-C597 WeakPolarHBondContact O-CA 3.24Å; F503-C597 WeakPolarHBondContact O-CB 3.38Å; F503-C597 PolarHBondContact O-N 2.97Å; S591-C597 CarbonylContact C-O 3.56Å; S591-C597 VanDerWaalsContact OG-CB 3.28Å; S591-C597 WeakPolarHBondContact OG-CB 3.19Å; S591-C597 PolarHBondContact OG-O 2.92Å; Y592-C597 PolarHBondContact N-O 2.79Å; T595-C597 WeakPolarHBondContact OG1-CB 3.35Å; T595-C597 PolarHBondContact OG1-N 3.13Å; C597-E599 PolarHBondContact O-N 2.75Å
598	F	98.8	Very high	97.6	Very high	3 Å²	3	6.1 Å²	6.1	1%	0.013	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	113.7	169	-76.6	51.7	0	0	0	107.6	V504 L505 G506 D537 V540 F541 L544 Y592 N596 L674	V504-F598 PolarHBondContact O-N 2.93Å; L505-F598 CarbonylContact C-O 3.39Å; L505-F598 WeakPolarHBondContact CA-O 3.46Å; L505-F598 HydrophobicContact CD1-CB 4.22Å; G506-F598 PolarHBondContact N-O 3.39Å; D537-F598 HydrophobicContact CB-CE2 3.71Å; D537-F598 HydrophobicContact CB-CZ 3.92Å; V540-F598 HydrophobicContact CB-CE2 4.21Å; V540-F598 HydrophobicContact CG1-CD2 4.32Å; V540-F598 HydrophobicContact CG1-CE2 4.01Å; F541-F598 HydrophobicContact CD1-CD2 4.46Å; F541-F598 HydrophobicContact CD2-CD2 4.1Å; F541-F598 HydrophobicContact CD2-CE2 4.19Å; F541-F598 HydrophobicContact CE1-CB 4.12Å; F541-F598 AromaticContact CE1-CD2 3.98Å; F541-F598 HydrophobicContact CE1-CD2 3.98Å; F541-F598 HydrophobicContact CE1-CG 4.35Å; F541-F598 AromaticContact CE2-CD2 3.58Å; F541-F598 HydrophobicContact CE2-CD2 3.58Å; F541-F598 AromaticContact CE2-CE2 3.74Å; F541-F598 HydrophobicContact CE2-CE2 3.74Å; F541-F598 HydrophobicContact CE2-CG 4.34Å; F541-F598 HydrophobicContact CZ-CB 4.09Å; F541-F598 AromaticContact CZ-CD2 3.52Å; F541-F598 HydrophobicContact CZ-CD2 3.52Å; F541-F598 HydrophobicContact CZ-CE2 4.14Å; F541-F598 AromaticContact CZ-CG 3.9Å; F541-F598 HydrophobicContact CZ-CG 3.9Å; L544-F598 HydrophobicContact CD1-CB 4.31Å; L544-F598 HydrophobicContact CD1-CD2 4.1Å; Y592-F598 HydrophobicContact CD2-CD1 4.3Å; Y592-F598 HydrophobicContact CD2-CE1 4.3Å; Y592-F598 HydrophobicContact CE2-CD1 4.46Å; Y592-F598 HydrophobicContact CE2-CE1 4.03Å; Y592-F598 HydrophobicContact CE2-CE2 4.3Å; Y592-F598 AromaticContact CE2-CZ 3.94Å; Y592-F598 HydrophobicContact CE2-CZ 3.94Å; N596-F598 PolarHBondContact O-N 3.23Å; F598-L674 HydrophobicContact CB-CD1 3.98Å; F598-L674 HydrophobicContact CD1-CD1 4.34Å; F598-L674 HydrophobicContact CD2-CD1 4.24Å; F598-L674 HydrophobicContact CG-CD1 3.95Å
599	E	98.1	Very high	97.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.9	-179.5	-171.5	101.5	130	0	0	110	R366 G506 P519 N588 C597	R366-E599 IonicContact CZ-OE1 3.68Å; R366-E599 IonicContact CZ-OE2 2.76Å; R366-E599 IonicContact NE-OE2 3.54Å; R366-E599 PolarHBondContact NE-OE2 2.84Å; R366-E599 IonicContact NH1-OE1 2.59Å; R366-E599 PolarHBondContact NH1-OE1 2.97Å; R366-E599 IonicContact NH1-OE2 2.63Å; R366-E599 IonicContact NH2-OE1 2.65Å; R366-E599 PolarHBondContact NH2-OE1 2.73Å; R366-E599 IonicContact NH2-OE2 2.84Å; R366-E599 PolarHBondContact NH2-OE2 2.59Å; G506-E599 VanDerWaalsContact C-OE2 3.29Å; G506-E599 VanDerWaalsContact CA-OE2 3.23Å; G506-E599 WeakPolarHBondContact CA-OE2 3.41Å; G506-E599 WeakPolarHBondContact O-CA 3.47Å; P519-E599 WeakPolarHBondContact CD-O 3.34Å; N588-E599 HydrophobicContact CB-CB 4.43Å; N588-E599 HydrophobicContact CB-CG 4.45Å; C597-E599 PolarHBondContact O-N 2.75Å
600	L	98.4	Very high	97.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.1	171.8	-71.4	86	0	0	0	109.7	L505 G506 G507 N508 V516 F518 F541 L544 A545 M602 F629	L505-L600 HydrophobicContact CD1-CD1 4.45Å; G506-L600 PolarHBondContact O-N 2.87Å; G506-L600 VanDerWaalsContact O-N 3.17Å; G507-L600 CarbonylContact C-O 3.44Å; G507-L600 WeakPolarHBondContact CA-O 3.43Å; N508-L600 PolarHBondContact N-O 3.36Å; V516-L600 HydrophobicContact CG1-CB 4.49Å; V516-L600 HydrophobicContact CG1-CD2 4.1Å; F518-L600 HydrophobicContact CB-CD2 4.03Å; F518-L600 HydrophobicContact CB-CG 4.2Å; F541-L600 HydrophobicContact CD1-CD1 3.81Å; F541-L600 HydrophobicContact CD1-CG 4.1Å; F541-L600 HydrophobicContact CE1-CD1 4Å; L544-L600 HydrophobicContact CB-CD1 3.9Å; L544-L600 HydrophobicContact CB-CD2 3.86Å; L544-L600 HydrophobicContact CD1-CD1 3.91Å; A545-L600 HydrophobicContact CB-CD2 3.72Å; L600-M602 HydrophobicContact CB-CE 3.93Å; L600-F629 HydrophobicContact CB-CE2 4.48Å; L600-F629 HydrophobicContact CB-CZ 4.4Å; L600-F629 HydrophobicContact CD1-CE2 4.14Å; L600-F629 HydrophobicContact CD1-CZ 4.11Å; L600-F629 HydrophobicContact CD2-CE2 4.38Å
601	S	98.1	Very high	97.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.9	172.9	-75.4	0	0	0	0	110.8	H446 N508 Q510 T517 N588	H446-S601 PolarHBondContact NE2-OG 3.32Å; N508-S601 PolarHBondContact ND2-OG 3.45Å; N508-S601 CarbonylContact O-C 3.3Å; N508-S601 VanDerWaalsContact O-CA 3.3Å; N508-S601 WeakPolarHBondContact O-CA 3.29Å; Q510-S601 PolarHBondContact NE2-OG 3.21Å; T517-S601 PolarHBondContact N-O 2.85Å; T517-S601 PolarHBondContact O-N 3.03Å; T517-S601 WeakPolarHBondContact OG1-CB 3.26Å; N588-S601 PolarHBondContact ND2-OG 2.74Å; N588-S601 PolarHBondContact OD1-OG 2.98Å
602	M	98.5	Very high	97.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.4	-179.8	-54.3	81.4	-176.8	0	0	108.9	Y367 N508 L509 Q510 V516 Y548 L600 V604 F629	Y367-M602 HydrophobicContact CE1-CE 4.41Å; Y367-M602 HydrophobicContact CE1-SD 4.34Å; N508-M602 PolarHBondContact O-N 3.36Å; L509-M602 HydrophobicContact CD2-CB 3.93Å; L509-M602 HydrophobicContact CD2-CG 4.26Å; L509-M602 HydrophobicContact CD2-SD 3.95Å; Q510-M602 PolarHBondContact N-O 2.87Å; V516-M602 HydrophobicContact CG1-CG 4.11Å; V516-M602 HydrophobicContact CG2-CB 4.44Å; V516-M602 HydrophobicContact CG2-CG 4.17Å; Y548-M602 HydrophobicContact CD1-CB 4.38Å; Y548-M602 HydrophobicContact CD1-CG 3.94Å; Y548-M602 HydrophobicContact CD2-CE 4.34Å; Y548-M602 HydrophobicContact CD2-CG 4.03Å; Y548-M602 HydrophobicContact CE1-CB 3.94Å; Y548-M602 HydrophobicContact CE1-CG 3.89Å; Y548-M602 HydrophobicContact CE2-CG 3.98Å; Y548-M602 HydrophobicContact CG-CG 4.02Å; L600-M602 HydrophobicContact CB-CE 3.93Å; M602-V604 HydrophobicContact CB-CG1 4.02Å; M602-V604 PolarHBondContact O-N 3.09Å; M602-F629 HydrophobicContact CE-CD1 3.94Å; M602-F629 HydrophobicContact CE-CD2 3.78Å; M602-F629 HydrophobicContact CE-CE1 3.58Å; M602-F629 HydrophobicContact CE-CE2 3.41Å; M602-F629 VanDerWaalsContact CE-CE2 3.41Å; M602-F629 HydrophobicContact CE-CG 4.04Å; M602-F629 HydrophobicContact CE-CZ 3.3Å
603	Y	98.2	Very high	96.9	Very high	15 Å²	15	15.5 Å²	15.5	6%	0.059	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	102.9	171.7	-65	-97.2	0	0	0	107.2	Q510 E513 L514 V515 T517 M555 W580	Q510-Y603 HydrophobicContact CB-CD1 3.61Å; Q510-Y603 HydrophobicContact CB-CE1 3.47Å; Q510-Y603 VanDerWaalsContact CB-CE1 3.47Å; Q510-Y603 HydrophobicContact CB-CE2 4.49Å; Q510-Y603 HydrophobicContact CB-CG 4.19Å; Q510-Y603 HydrophobicContact CG-CE1 4.22Å; Q510-Y603 PolarHBondContact NE2-OH 3.38Å; Q510-Y603 VanDerWaalsContact NE2-OH 3.09Å; Q510-Y603 WeakPolarHBondContact O-CA 3.37Å; Q510-Y603 PolarHBondContact OE1-OH 2.94Å; E513-Y603 CarbonylContact O-C 3.59Å; E513-Y603 VanDerWaalsContact O-C 3.31Å; E513-Y603 WeakPolarHBondContact O-CB 3.29Å; L514-Y603 WeakPolarHBondContact CA-O 3.12Å; V515-Y603 HydrophobicContact CG1-CD2 4.08Å; V515-Y603 HydrophobicContact CG1-CG 4.36Å; V515-Y603 PolarHBondContact N-O 3.3Å; V515-Y603 WeakPolarHBondContact O-CB 3.36Å; V515-Y603 PolarHBondContact O-N 3.36Å; T517-Y603 HydrophobicContact CG2-CD2 3.94Å; T517-Y603 HydrophobicContact CG2-CE2 3.59Å; M555-Y603 WeakPolarHBondContact CE-O 3.45Å; W580-Y603 HydrophobicContact CH2-CD1 4.38Å; W580-Y603 HydrophobicContact CH2-CD2 4.48Å; W580-Y603 HydrophobicContact CH2-CE1 4.24Å; W580-Y603 HydrophobicContact CH2-CE2 4.37Å; W580-Y603 HydrophobicContact CZ3-CD2 4.07Å; W580-Y603 HydrophobicContact CZ3-CE1 4.22Å; W580-Y603 AromaticContact CZ3-CE2 3.67Å; W580-Y603 HydrophobicContact CZ3-CE2 3.67Å; W580-Y603 AromaticContact CZ3-CZ 3.75Å
604	V	97.2	Very high	96.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	5.2	-162.6	-67	0	0	0	0	114.6	L377 L381 L509 Q510 Y548 M602 N622	L377-V604 HydrophobicContact CB-CG2 4.22Å; L377-V604 HydrophobicContact CD2-CB 4.38Å; L377-V604 HydrophobicContact CD2-CG2 3.87Å; L377-V604 WeakPolarHBondContact CD2-O 2.94Å; L377-V604 HydrophobicContact CG-CG2 3.86Å; L381-V604 HydrophobicContact CD1-CB 4.18Å; L381-V604 HydrophobicContact CD1-CG1 4.35Å; L381-V604 HydrophobicContact CD1-CG2 4Å; L509-V604 HydrophobicContact CD2-CG1 4.16Å; Q510-V604 WeakPolarHBondContact O-CG2 3.35Å; Q510-V604 PolarHBondContact O-N 2.97Å; Y548-V604 HydrophobicContact CE1-CG1 4.4Å; Y548-V604 WeakPolarHBondContact OH-CG1 3.22Å; M602-V604 HydrophobicContact CB-CG1 4.02Å; M602-V604 PolarHBondContact O-N 3.09Å; V604-N622 WeakPolarHBondContact CG1-OD1 3.37Å
605	G	94.5	Very high	96.5	Very high	7 Å²	7	14.9 Å²	14.9	7%	0.072	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	147.7	-177.5	0	0	0	0	0	113.5	G512 E513 D607	G512-G605 PolarHBondContact N-O 2.98Å; E513-G605 PolarHBondContact N-O 2.97Å; E513-G605 VanDerWaalsContact N-O 3.14Å; E513-G605 CarbonylContact O-C 3.52Å; E513-G605 VanDerWaalsContact O-C 3.27Å; E513-G605 PolarHBondContact O-N 2.92Å; G605-D607 VanDerWaalsContact C-N 3.33Å; G605-D607 PolarHBondContact O-N 2.84Å
606	C	94	Very high	96.3	Very high	19 Å²	19	15.9 Å²	15.9	13%	0.128	9%	0.089	C	C	.	.	S	Bend	trans	-65.6	-34	178.6	-57	0	0	0	0	113	L137 G512 C563	L137-C606 HydrophobicContact CD1-CB 4.33Å; L137-C606 VanDerWaalsContact CD1-SG 3.5Å; G512-C606 WeakPolarHBondContact CA-O 3.34Å; C563-C606 HydrophobicContact CB-CB 3.56Å; C563-C606 WeakPolarHBondContact CB-SG 3.48Å; C563-C606 VanDerWaalsContact SG-CA 3.52Å; C563-C606 WeakPolarHBondContact SG-CB 3.18Å; C563-C606 CovalentContact SG-SG 2.03Å; C563-C606 PolarHBondContact SG-SG 2.79Å
607	D	95.4	Very high	96.1	Very high	17 Å²	17	18 Å²	18	9%	0.091	10%	0.098	C	C	.	.			trans	-85.6	140.3	172.2	-167.3	-28.8	0	0	0	109.2	E135 T136 G605 F609 P610	E135-D607 HydrophobicContact CG-CB 4.11Å; T136-D607 HydrophobicContact CG2-CB 3.68Å; T136-D607 WeakPolarHBondContact CG2-OD2 3.25Å; G605-D607 VanDerWaalsContact C-N 3.33Å; G605-D607 PolarHBondContact O-N 2.84Å; D607-F609 WeakPolarHBondContact OD1-CA 3.39Å; D607-F609 PolarHBondContact OD1-N 2.71Å; D607-P610 HydrophobicContact CB-CB 4.19Å
608	K	95.9	Very high	96	Very high	11 Å²	11	19 Å²	19	5%	0.048	10%	0.103	C	C	.	.	S	Bend	trans	-80.2	-34.5	175.8	-59.3	-158.1	167.5	-140.5	0	111.6	N374 E375 V376 W433 G511	N374-K608 CarbonylContact O-C 3.58Å; N374-K608 VanDerWaalsContact O-C 3.29Å; N374-K608 VanDerWaalsContact O-CB 3.29Å; N374-K608 WeakPolarHBondContact O-CB 3.4Å; E375-K608 CarbonylContact C-O 3.54Å; E375-K608 WeakPolarHBondContact CA-O 3.44Å; E375-K608 HydrophobicContact CG-CB 4.15Å; E375-K608 HydrophobicContact CG-CD 3.79Å; E375-K608 HydrophobicContact CG-CG 4.15Å; E375-K608 IonicContact OE1-NZ 3.59Å; E375-K608 PolarHBondContact OE1-NZ 3.05Å; V376-K608 PolarHBondContact N-O 3.09Å; W433-K608 HydrophobicContact CD2-CD 4.34Å; W433-K608 HydrophobicContact CE3-CD 4.43Å; W433-K608 VanDerWaalsContact CE3-CE 3.46Å; W433-K608 VanDerWaalsContact CH2-CE 3.42Å; G511-K608 WeakPolarHBondContact O-CE 3.47Å; G511-K608 PolarHBondContact O-NZ 2.9Å; G511-K608 VanDerWaalsContact O-NZ 3.13Å
609	F	97	Very high	95.9	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.022	10%	0.102	C	C	.	.	S	Bend	trans	-135.6	63.5	-174.6	-158.4	157.4	0	0	0	109.5	H311 V376 A423 S428 S431 D607	H311-F609 AromaticContact CD2-CE2 3.58Å; H311-F609 AromaticContact CG-CE2 3.74Å; H311-F609 AromaticContact ND1-CE2 3.82Å; V376-F609 HydrophobicContact CB-CB 4.44Å; V376-F609 HydrophobicContact CB-CD1 4.46Å; V376-F609 HydrophobicContact CB-CD2 3.84Å; V376-F609 HydrophobicContact CB-CE2 4.17Å; V376-F609 HydrophobicContact CB-CG 4Å; V376-F609 HydrophobicContact CG1-CD2 3.98Å; V376-F609 HydrophobicContact CG1-CE2 3.9Å; V376-F609 HydrophobicContact CG1-CZ 4.45Å; V376-F609 HydrophobicContact CG2-CB 4.22Å; V376-F609 HydrophobicContact CG2-CD1 3.55Å; V376-F609 HydrophobicContact CG2-CD2 3.78Å; V376-F609 HydrophobicContact CG2-CE1 3.74Å; V376-F609 HydrophobicContact CG2-CE2 3.94Å; V376-F609 HydrophobicContact CG2-CG 3.57Å; V376-F609 HydrophobicContact CG2-CZ 3.93Å; A423-F609 HydrophobicContact CB-CD1 4.06Å; A423-F609 HydrophobicContact CB-CE1 3.79Å; S428-F609 WeakPolarHBondContact CB-O 3.33Å; S431-F609 WeakPolarHBondContact OG-CD1 3.49Å; D607-F609 WeakPolarHBondContact OD1-CA 3.39Å; D607-F609 PolarHBondContact OD1-N 2.71Å
610	P	96.3	Very high	95.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.013	11%	0.106	C	C	.	.			trans	-59.5	149.2	177.3	27.5	-36	0	0	0	110.5	T136 H311 L377 D607 E614	T136-P610 HydrophobicContact CG2-CB 4.07Å; H311-P610 PolarHBondContact NE2-O 2.72Å; L377-P610 HydrophobicContact CB-CG 4.06Å; L377-P610 HydrophobicContact CD1-CG 4.36Å; L377-P610 HydrophobicContact CD2-CG 4.39Å; L377-P610 HydrophobicContact CG-CG 4.5Å; D607-P610 HydrophobicContact CB-CB 4.19Å; P610-E614 HydrophobicContact CB-CB 4.48Å
611	H	95.6	Very high	95.7	Very high	47 Å²	47	20.1 Å²	20.1	22%	0.218	11%	0.108	C	C	.	.			trans	-72.1	154.7	-173	179.1	-95.9	0	0	0	112.1	P131 E429 S613 E614	P131-H611 HydrophobicContact CG-CB 3.57Å; E429-H611 IonicContact OE1-CD2 3.19Å; H611-S613 PolarHBondContact ND1-N 2.93Å; H611-S613 PolarHBondContact ND1-OG 2.89Å; H611-S613 PolarHBondContact O-N 3.22Å; H611-E614 PolarHBondContact N-OE2 2.88Å; H611-E614 VanDerWaalsContact N-OE2 3.09Å; H611-E614 VanDerWaalsContact O-CB 3.31Å; H611-E614 WeakPolarHBondContact O-CB 3.4Å; H611-E614 PolarHBondContact O-N 2.59Å
612	E	94.6	Very high	95.7	Very high	76 Å²	76	20.1 Å²	20.1	36%	0.355	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-51.2	-36.2	-174.4	-63.6	-168.4	151.1	0	0	114.2	R310 H311 E614 L615	R310-E612 HydrophobicContact CB-CG 4.4Å; R310-E612 WeakPolarHBondContact CB-OE1 3.29Å; H311-E612 HydrophobicContact CB-CG 4.48Å; H311-E612 WeakPolarHBondContact CD2-CG 3.49Å; H311-E612 IonicContact CD2-OE1 3.56Å; H311-E612 IonicContact CG-OE1 3.86Å; H311-E612 PolarHBondContact N-OE1 2.81Å; E612-E614 PolarHBondContact O-N 3.12Å; E612-E614 VanDerWaalsContact O-N 3.09Å; E612-L615 PolarHBondContact O-N 2.99Å
613	S	91.8	Very high	95.6	Very high	69 Å²	69	22.2 Å²	22.2	48%	0.483	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-64.4	-9.5	177.6	58.3	0	0	0	0	114.9	H611	H611-S613 PolarHBondContact ND1-N 2.93Å; H611-S613 PolarHBondContact ND1-OG 2.89Å; H611-S613 PolarHBondContact O-N 3.22Å
614	E	93.2	Very high	95.6	Very high	9 Å²	9	25.2 Å²	25.2	4%	0.042	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-107	-18.6	-175.4	-53.2	-174.2	97.9	0	0	112.2	T136 K138 P610 H611 E612 P616 E617 E618	T136-E614 WeakPolarHBondContact CB-OE1 3.27Å; T136-E614 WeakPolarHBondContact CG2-OE1 3.39Å; T136-E614 WeakPolarHBondContact CG2-OE2 3.29Å; T136-E614 PolarHBondContact OG1-OE1 2.81Å; K138-E614 WeakPolarHBondContact CD-OE1 3.49Å; K138-E614 WeakPolarHBondContact CE-OE1 3.4Å; K138-E614 IonicContact NZ-OE1 3.98Å; K138-E614 PolarHBondContact NZ-OE1 2.93Å; P610-E614 HydrophobicContact CB-CB 4.48Å; H611-E614 PolarHBondContact N-OE2 2.88Å; H611-E614 VanDerWaalsContact N-OE2 3.09Å; H611-E614 VanDerWaalsContact O-CB 3.31Å; H611-E614 WeakPolarHBondContact O-CB 3.4Å; H611-E614 PolarHBondContact O-N 2.59Å; E612-E614 PolarHBondContact O-N 3.12Å; E612-E614 VanDerWaalsContact O-N 3.09Å; E614-P616 VanDerWaalsContact C-N 3.33Å; E614-E617 WeakPolarHBondContact O-CB 3.19Å; E614-E617 PolarHBondContact O-N 2.87Å; E614-E618 PolarHBondContact O-N 3.49Å
615	L	95.8	Very high	95.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-53.8	-35.9	177.5	-61.8	173.9	0	0	0	114.5	F309 R310 H311 L377 E380 E612 E617 W619	F309-L615 HydrophobicContact CD1-CB 4.23Å; R310-L615 VanDerWaalsContact C-CD1 3.49Å; H311-L615 WeakPolarHBondContact NE2-CD2 3.28Å; L377-L615 HydrophobicContact CD1-CD2 4.14Å; E380-L615 HydrophobicContact CB-CD2 4.28Å; E612-L615 PolarHBondContact O-N 2.99Å; L615-E617 VanDerWaalsContact C-N 3.31Å; L615-E617 PolarHBondContact O-N 2.78Å; L615-W619 VanDerWaalsContact O-CB 3.24Å; L615-W619 WeakPolarHBondContact O-CB 3.12Å; L615-W619 PolarHBondContact O-N 2.92Å
616	P	94.9	Very high	95.9	Very high	32 Å²	32	24.9 Å²	24.9	21%	0.208	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-32.7	175.1	-22.6	34.5	0	0	0	113.7	T303 F309 E614 E620	T303-P616 HydrophobicContact CG2-CB 4.11Å; F309-P616 HydrophobicContact CB-CG 4.08Å; F309-P616 HydrophobicContact CD1-CB 4.27Å; F309-P616 HydrophobicContact CD1-CG 3.98Å; F309-P616 HydrophobicContact CD2-CG 4.39Å; F309-P616 HydrophobicContact CE1-CB 4.35Å; F309-P616 HydrophobicContact CG-CB 4.49Å; F309-P616 HydrophobicContact CG-CG 3.9Å; E614-P616 VanDerWaalsContact C-N 3.33Å; P616-E620 WeakPolarHBondContact O-CB 3.48Å; P616-E620 VanDerWaalsContact O-CG 3.26Å; P616-E620 WeakPolarHBondContact O-CG 3.38Å; P616-E620 PolarHBondContact O-N 2.79Å
617	E	93.4	Very high	96.1	Very high	64 Å²	64	24.2 Å²	24.2	30%	0.299	12%	0.122	S	C	.	.	H	α-helix	trans	-77.5	-43.3	178.3	-175.7	168.3	-162.1	0	0	110.5	K138 V301 E614 L615 W619 E620 N621	K138-E617 WeakPolarHBondContact CE-OE2 3.35Å; K138-E617 IonicContact NZ-OE2 3.05Å; K138-E617 PolarHBondContact NZ-OE2 2.93Å; V301-E617 HydrophobicContact CB-CB 4.35Å; V301-E617 HydrophobicContact CB-CG 4.06Å; V301-E617 HydrophobicContact CG2-CG 4.1Å; E614-E617 WeakPolarHBondContact O-CB 3.19Å; E614-E617 PolarHBondContact O-N 2.87Å; L615-E617 VanDerWaalsContact C-N 3.31Å; L615-E617 PolarHBondContact O-N 2.78Å; E617-W619 PolarHBondContact O-N 3.24Å; E617-E620 CarbonylContact O-C 3.57Å; E617-E620 PolarHBondContact O-N 2.71Å; E617-N621 VanDerWaalsContact O-CG 3.24Å; E617-N621 PolarHBondContact O-N 3.22Å; E617-N621 PolarHBondContact O-ND2 2.98Å
618	E	95.9	Very high	96.2	Very high	22 Å²	22	24.4 Å²	24.4	10%	0.103	12%	0.124	C	C	.	.	H	α-helix	trans	-70.2	-31	177.6	-59.5	-52.9	157.1	0	0	113.4	L377 E614 N621 N622	L377-E618 HydrophobicContact CD1-CB 3.58Å; L377-E618 HydrophobicContact CD1-CG 4.17Å; L377-E618 HydrophobicContact CD2-CB 3.95Å; L377-E618 HydrophobicContact CD2-CG 3.99Å; L377-E618 HydrophobicContact CG-CB 4.42Å; E614-E618 PolarHBondContact O-N 3.49Å; E618-N621 PolarHBondContact O-N 3.42Å; E618-N621 PolarHBondContact OE2-ND2 2.97Å; E618-N622 WeakPolarHBondContact O-CB 3.47Å; E618-N622 PolarHBondContact O-N 3.31Å; E618-N622 VanDerWaalsContact O-N 3.09Å; E618-N622 PolarHBondContact O-ND2 3.5Å
619	W	97.6	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.1	-50	166.6	172.6	-117.3	0	0	0	111.4	D305 L307 F309 L381 L384 L385 F388 L615 E617 N621 N622 R623 L626	D305-W619 PolarHBondContact OD2-NE1 3.38Å; L307-W619 HydrophobicContact CD1-CD2 4.39Å; L307-W619 HydrophobicContact CD1-CZ2 3.98Å; F309-W619 HydrophobicContact CE1-CB 3.75Å; F309-W619 AromaticContact CE1-CD1 3.84Å; F309-W619 AromaticContact CE1-CG 3.86Å; F309-W619 HydrophobicContact CE1-CG 3.86Å; F309-W619 HydrophobicContact CZ-CB 4.5Å; F309-W619 AromaticContact CZ-CD1 3.74Å; F309-W619 HydrophobicContact CZ-CG 4.22Å; L381-W619 HydrophobicContact CD2-CE3 3.94Å; L384-W619 HydrophobicContact CB-CD2 4.09Å; L384-W619 HydrophobicContact CB-CE3 3.64Å; L384-W619 HydrophobicContact CB-CH2 4.41Å; L384-W619 HydrophobicContact CB-CZ3 3.83Å; L384-W619 HydrophobicContact CD1-CB 4.01Å; L384-W619 HydrophobicContact CD1-CD2 4.28Å; L384-W619 HydrophobicContact CD1-CE3 4.14Å; L384-W619 HydrophobicContact CD1-CG 4.25Å; L385-W619 HydrophobicContact CB-CH2 4.32Å; L385-W619 HydrophobicContact CB-CZ3 4.21Å; L385-W619 HydrophobicContact CD1-CH2 4.25Å; F388-W619 HydrophobicContact CB-CH2 3.91Å; F388-W619 HydrophobicContact CB-CZ2 3.73Å; F388-W619 HydrophobicContact CD1-CH2 4.36Å; F388-W619 HydrophobicContact CD1-CZ2 4.25Å; F388-W619 AromaticContact CD2-CZ2 3.8Å; F388-W619 HydrophobicContact CD2-CZ2 3.8Å; F388-W619 HydrophobicContact CE2-CZ2 4.49Å; F388-W619 HydrophobicContact CG-CH2 4.07Å; F388-W619 AromaticContact CG-CZ2 3.66Å; F388-W619 HydrophobicContact CG-CZ2 3.66Å; L615-W619 VanDerWaalsContact O-CB 3.24Å; L615-W619 WeakPolarHBondContact O-CB 3.12Å; L615-W619 PolarHBondContact O-N 2.92Å; E617-W619 PolarHBondContact O-N 3.24Å; W619-N621 VanDerWaalsContact C-N 3.28Å; W619-N621 PolarHBondContact O-N 3.27Å; W619-N622 PolarHBondContact O-N 3.03Å; W619-N622 VanDerWaalsContact O-N 3.15Å; W619-R623 HydrophobicContact CD2-CB 4.23Å; W619-R623 HydrophobicContact CE3-CB 4.43Å; W619-R623 HydrophobicContact CH2-CB 4.21Å; W619-R623 HydrophobicContact CH2-CG 3.89Å; W619-R623 HydrophobicContact CZ2-CB 4Å; W619-R623 HydrophobicContact CZ2-CG 3.55Å; W619-R623 HydrophobicContact CZ3-CB 4.43Å; W619-R623 VanDerWaalsContact O-CB 3.27Å; W619-R623 WeakPolarHBondContact O-CB 3.28Å; W619-R623 PolarHBondContact O-N 3.17Å; W619-L626 HydrophobicContact CZ3-CD1 4.12Å
620	E	96	Very high	96.4	Very high	17 Å²	17	23.7 Å²	23.7	8%	0.079	12%	0.121	C	C	.	.	H	α-helix	trans	-65.3	-30.5	179.2	-76.8	-73.3	161.8	0	0	112.5	V301 T303 R553 P616 E617 R623	V301-E620 HydrophobicContact CG1-CB 3.58Å; V301-E620 HydrophobicContact CG1-CG 3.85Å; T303-E620 WeakPolarHBondContact CA-OE1 3.23Å; T303-E620 VanDerWaalsContact CB-OE1 3.24Å; T303-E620 WeakPolarHBondContact CB-OE1 3.33Å; T303-E620 PolarHBondContact OG1-OE1 2.8Å; R553-E620 IonicContact CZ-OE2 3.56Å; R553-E620 PolarHBondContact NE-O 2.69Å; R553-E620 IonicContact NH1-OE2 2.88Å; R553-E620 PolarHBondContact NH2-O 2.98Å; R553-E620 IonicContact NH2-OE2 3.8Å; R553-E620 PolarHBondContact NH2-OE2 2.79Å; P616-E620 WeakPolarHBondContact O-CB 3.48Å; P616-E620 VanDerWaalsContact O-CG 3.26Å; P616-E620 WeakPolarHBondContact O-CG 3.38Å; P616-E620 PolarHBondContact O-N 2.79Å; E617-E620 CarbonylContact O-C 3.57Å; E617-E620 PolarHBondContact O-N 2.71Å; E620-R623 VanDerWaalsContact CD-NH2 3.27Å; E620-R623 IonicContact OE1-CZ 2.83Å; E620-R623 IonicContact OE1-NH1 3.5Å; E620-R623 PolarHBondContact OE1-NH1 3.08Å; E620-R623 IonicContact OE1-NH2 3.43Å; E620-R623 PolarHBondContact OE1-NH2 3.08Å; E620-R623 IonicContact OE2-CZ 2.7Å; E620-R623 IonicContact OE2-NH1 3.5Å; E620-R623 IonicContact OE2-NH2 3.69Å; E620-R623 PolarHBondContact OE2-NH2 3.31Å
621	N	95.7	Very high	96.5	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.043	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-39.1	171.3	-71.3	-23	0	0	0	113	H552 R553 E617 E618 W619	H552-N621 PolarHBondContact CD2-O 3.34Å; H552-N621 VanDerWaalsContact CD2-O 3.27Å; R553-N621 WeakPolarHBondContact CD-OD1 3.29Å; R553-N621 PolarHBondContact N-O 3.24Å; E617-N621 VanDerWaalsContact O-CG 3.24Å; E617-N621 PolarHBondContact O-N 3.22Å; E617-N621 PolarHBondContact O-ND2 2.98Å; E618-N621 PolarHBondContact O-N 3.42Å; E618-N621 PolarHBondContact OE2-ND2 2.97Å; W619-N621 VanDerWaalsContact C-N 3.28Å; W619-N621 PolarHBondContact O-N 3.27Å
622	N	98.1	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-103.3	-22.6	-169.3	-75.3	-87.8	0	0	0	115.6	L381 Y548 H552 V604 E618 W619 E624 S625 L626	L381-N622 HydrophobicContact CD1-CB 3.83Å; L381-N622 HydrophobicContact CD2-CB 3.9Å; Y548-N622 PolarHBondContact OH-OD1 3.46Å; Y548-N622 VanDerWaalsContact OH-OD1 3.09Å; H552-N622 PolarHBondContact CD2-OD1 2.7Å; H552-N622 PolarHBondContact NE2-ND2 3.12Å; H552-N622 PolarHBondContact NE2-OD1 3.26Å; V604-N622 WeakPolarHBondContact CG1-OD1 3.37Å; E618-N622 WeakPolarHBondContact O-CB 3.47Å; E618-N622 PolarHBondContact O-N 3.31Å; E618-N622 VanDerWaalsContact O-N 3.09Å; E618-N622 PolarHBondContact O-ND2 3.5Å; W619-N622 PolarHBondContact O-N 3.03Å; W619-N622 VanDerWaalsContact O-N 3.15Å; N622-E624 VanDerWaalsContact C-N 3.34Å; N622-E624 PolarHBondContact O-N 3.41Å; N622-S625 WeakPolarHBondContact O-CB 3.46Å; N622-S625 PolarHBondContact O-N 2.76Å; N622-S625 VanDerWaalsContact O-N 3.11Å; N622-L626 HydrophobicContact CB-CD1 4.27Å; N622-L626 WeakPolarHBondContact O-CG 3.28Å; N622-L626 PolarHBondContact O-N 2.89Å
623	R	97.6	Very high	96.8	Very high	44 Å²	44	20.1 Å²	20.1	17%	0.166	10%	0.104	C	C	.	.	H	α-helix	trans	-52.2	-47.4	-171	178.1	-179.4	63.5	-146.9	-12.7	113.1	D305 F388 W619 E620 L627	D305-R623 VanDerWaalsContact CG-NH1 3.3Å; D305-R623 IonicContact OD1-NH1 3.99Å; D305-R623 PolarHBondContact OD1-NH1 2.85Å; D305-R623 IonicContact OD2-CZ 3.89Å; D305-R623 IonicContact OD2-NH1 3.18Å; D305-R623 PolarHBondContact OD2-NH1 2.94Å; F388-R623 HydrophobicContact CZ-CG 4.47Å; W619-R623 HydrophobicContact CD2-CB 4.23Å; W619-R623 HydrophobicContact CE3-CB 4.43Å; W619-R623 HydrophobicContact CH2-CB 4.21Å; W619-R623 HydrophobicContact CH2-CG 3.89Å; W619-R623 HydrophobicContact CZ2-CB 4Å; W619-R623 HydrophobicContact CZ2-CG 3.55Å; W619-R623 HydrophobicContact CZ3-CB 4.43Å; W619-R623 VanDerWaalsContact O-CB 3.27Å; W619-R623 WeakPolarHBondContact O-CB 3.28Å; W619-R623 PolarHBondContact O-N 3.17Å; E620-R623 VanDerWaalsContact CD-NH2 3.27Å; E620-R623 IonicContact OE1-CZ 2.83Å; E620-R623 IonicContact OE1-NH1 3.5Å; E620-R623 PolarHBondContact OE1-NH1 3.08Å; E620-R623 IonicContact OE1-NH2 3.43Å; E620-R623 PolarHBondContact OE1-NH2 3.08Å; E620-R623 IonicContact OE2-CZ 2.7Å; E620-R623 IonicContact OE2-NH1 3.5Å; E620-R623 IonicContact OE2-NH2 3.69Å; E620-R623 PolarHBondContact OE2-NH2 3.31Å; R623-L627 WeakPolarHBondContact O-CG 3.41Å; R623-L627 PolarHBondContact O-N 2.75Å
624	E	97.9	Very high	97.1	Very high	78 Å²	78	17.7 Å²	17.7	36%	0.364	9%	0.086	S	C	.	.	H	α-helix	trans	-69.2	-40.4	-178.5	-172.4	57.5	-150.8	0	0	111.7	R399 N622 L626 L627 V628	R399-E624 IonicContact CZ-OE1 3.99Å; R399-E624 VanDerWaalsContact CZ-OE1 3.23Å; R399-E624 IonicContact CZ-OE2 2.75Å; R399-E624 IonicContact NH1-OE1 3.81Å; R399-E624 PolarHBondContact NH1-OE1 3.4Å; R399-E624 IonicContact NH1-OE2 3.79Å; R399-E624 PolarHBondContact NH1-OE2 2.97Å; R399-E624 IonicContact NH2-OE1 2.75Å; R399-E624 PolarHBondContact NH2-OE1 3.11Å; N622-E624 VanDerWaalsContact C-N 3.34Å; N622-E624 PolarHBondContact O-N 3.41Å; E624-L626 VanDerWaalsContact C-N 3.34Å; E624-L626 PolarHBondContact O-N 2.66Å; E624-L627 PolarHBondContact O-N 2.73Å; E624-V628 HydrophobicContact CG-CG2 4.17Å; E624-V628 WeakPolarHBondContact O-CG2 3.18Å; E624-V628 PolarHBondContact O-N 3.13Å; E624-V628 VanDerWaalsContact OE1-CG2 3.23Å; E624-V628 WeakPolarHBondContact OE1-CG2 3.48Å
625	S	98.4	Very high	97.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.1	-39.5	176.8	-52.7	0	0	0	0	113.1	Y548 T551 H552 N622 L627 F629	Y548-S625 WeakPolarHBondContact CD2-O 3.37Å; Y548-S625 PolarHBondContact O-OG 2.92Å; Y548-S625 VanDerWaalsContact O-OG 3.12Å; T551-S625 WeakPolarHBondContact OG1-CA 3.46Å; T551-S625 PolarHBondContact OG1-OG 3.13Å; T551-S625 VanDerWaalsContact OG1-OG 3.08Å; H552-S625 WeakPolarHBondContact CA-OG 3.29Å; H552-S625 WeakPolarHBondContact CB-OG 3.19Å; H552-S625 PolarHBondContact N-OG 2.94Å; N622-S625 WeakPolarHBondContact O-CB 3.46Å; N622-S625 PolarHBondContact O-N 2.76Å; N622-S625 VanDerWaalsContact O-N 3.11Å; S625-L627 VanDerWaalsContact C-N 3.34Å; S625-F629 VanDerWaalsContact O-CB 3.23Å; S625-F629 WeakPolarHBondContact O-CB 3.33Å; S625-F629 PolarHBondContact O-N 2.84Å
626	L	98.8	Very high	97.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-42	174.9	-67.8	166.3	0	0	0	111.3	Y367 L381 L385 L509 Y548 W619 N622 E624 M630	Y367-L626 HydrophobicContact CD2-CD2 4.37Å; Y367-L626 HydrophobicContact CE1-CD2 4.22Å; Y367-L626 HydrophobicContact CE2-CB 4.35Å; Y367-L626 HydrophobicContact CE2-CD2 3.72Å; Y367-L626 PolarHBondContact OH-O 2.92Å; L381-L626 HydrophobicContact CB-CD1 4.38Å; L385-L626 HydrophobicContact CD2-CB 4.44Å; L509-L626 HydrophobicContact CD1-CD2 4.01Å; L509-L626 HydrophobicContact CD2-CD2 4.33Å; Y548-L626 HydrophobicContact CE2-CD2 4.13Å; Y548-L626 HydrophobicContact CE2-CG 4.46Å; W619-L626 HydrophobicContact CZ3-CD1 4.12Å; N622-L626 HydrophobicContact CB-CD1 4.27Å; N622-L626 WeakPolarHBondContact O-CG 3.28Å; N622-L626 PolarHBondContact O-N 2.89Å; E624-L626 VanDerWaalsContact C-N 3.34Å; E624-L626 PolarHBondContact O-N 2.66Å; L626-M630 WeakPolarHBondContact O-CE 3.48Å; L626-M630 WeakPolarHBondContact O-CG 3.39Å; L626-M630 PolarHBondContact O-N 3.05Å
627	L	98.6	Very high	97.4	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.026	8%	0.079	C	C	.	.	H	α-helix	trans	-70.3	-50.3	176.9	-63.1	176	0	0	0	112.1	L385 F388 I400 L403 R623 E624 S625 F629 M630 E631	L385-L627 HydrophobicContact CD1-CD2 4.38Å; F388-L627 HydrophobicContact CE1-CD1 4.14Å; I400-L627 HydrophobicContact CD1-CD1 4.28Å; I400-L627 HydrophobicContact CD1-CD2 3.63Å; L403-L627 HydrophobicContact CD2-CD2 4.38Å; R623-L627 WeakPolarHBondContact O-CG 3.41Å; R623-L627 PolarHBondContact O-N 2.75Å; E624-L627 PolarHBondContact O-N 2.73Å; S625-L627 VanDerWaalsContact C-N 3.34Å; L627-F629 VanDerWaalsContact C-N 3.3Å; L627-F629 PolarHBondContact O-N 2.8Å; L627-M630 HydrophobicContact CD2-CE 3.84Å; L627-M630 WeakPolarHBondContact O-CB 3.36Å; L627-M630 PolarHBondContact O-N 3.22Å; L627-E631 WeakPolarHBondContact O-CG 3.2Å; L627-E631 PolarHBondContact O-N 3.05Å
628	V	98.3	Very high	97.6	Very high	22 Å²	22	15.5 Å²	15.5	13%	0.133	7%	0.071	C	C	.	.	H	α-helix	trans	-63.6	-35.1	-176.7	171.3	0	0	0	0	112.2	T551 E624 E631 Q632	T551-V628 HydrophobicContact CG2-CB 4.32Å; T551-V628 HydrophobicContact CG2-CG1 4.16Å; T551-V628 HydrophobicContact CG2-CG2 4.15Å; E624-V628 HydrophobicContact CG-CG2 4.17Å; E624-V628 WeakPolarHBondContact O-CG2 3.18Å; E624-V628 PolarHBondContact O-N 3.13Å; E624-V628 VanDerWaalsContact OE1-CG2 3.23Å; E624-V628 WeakPolarHBondContact OE1-CG2 3.48Å; V628-E631 PolarHBondContact O-N 3.38Å; V628-Q632 WeakPolarHBondContact O-CG 3.47Å; V628-Q632 PolarHBondContact O-N 2.76Å; V628-Q632 PolarHBondContact O-NE2 3.01Å
629	F	98.6	Very high	97.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-72	-39.8	175.5	-177.9	-89.2	0	0	0	112.4	F365 Y367 L505 L544 Y548 L600 M602 S625 L627 E631 Q632	F365-F629 AromaticContact CE2-CD1 3.76Å; F365-F629 HydrophobicContact CE2-CD1 3.76Å; F365-F629 AromaticContact CE2-CE1 3.7Å; F365-F629 HydrophobicContact CE2-CE1 3.7Å; F365-F629 AromaticContact CZ-CD1 3.89Å; F365-F629 HydrophobicContact CZ-CD1 3.89Å; F365-F629 AromaticContact CZ-CE1 3.97Å; F365-F629 HydrophobicContact CZ-CE1 3.97Å; Y367-F629 HydrophobicContact CE1-CD1 4.06Å; Y367-F629 HydrophobicContact CE1-CE1 4.31Å; Y367-F629 AromaticContact CZ-CD1 3.82Å; Y367-F629 WeakPolarHBondContact OH-CB 3.35Å; Y367-F629 VanDerWaalsContact OH-CD1 3.25Å; Y367-F629 WeakPolarHBondContact OH-CD1 3.36Å; L505-F629 HydrophobicContact CD1-CE1 4.22Å; L505-F629 HydrophobicContact CD1-CE2 4.28Å; L505-F629 HydrophobicContact CD1-CZ 3.69Å; L505-F629 HydrophobicContact CD2-CD1 4.34Å; L505-F629 HydrophobicContact CD2-CE1 4.01Å; L505-F629 HydrophobicContact CD2-CZ 4.13Å; L505-F629 VanDerWaalsContact CD2-O 3.26Å; L505-F629 WeakPolarHBondContact CD2-O 3.28Å; L505-F629 HydrophobicContact CG-CE1 3.88Å; L505-F629 HydrophobicContact CG-CZ 3.89Å; L544-F629 HydrophobicContact CB-CE2 4.22Å; Y548-F629 HydrophobicContact CD2-CB 3.8Å; Y548-F629 HydrophobicContact CD2-CD2 4.48Å; Y548-F629 HydrophobicContact CD2-CG 4.21Å; L600-F629 HydrophobicContact CB-CE2 4.48Å; L600-F629 HydrophobicContact CB-CZ 4.4Å; L600-F629 HydrophobicContact CD1-CE2 4.14Å; L600-F629 HydrophobicContact CD1-CZ 4.11Å; L600-F629 HydrophobicContact CD2-CE2 4.38Å; M602-F629 HydrophobicContact CE-CD1 3.94Å; M602-F629 HydrophobicContact CE-CD2 3.78Å; M602-F629 HydrophobicContact CE-CE1 3.58Å; M602-F629 HydrophobicContact CE-CE2 3.41Å; M602-F629 VanDerWaalsContact CE-CE2 3.41Å; M602-F629 HydrophobicContact CE-CG 4.04Å; M602-F629 HydrophobicContact CE-CZ 3.3Å; S625-F629 VanDerWaalsContact O-CB 3.23Å; S625-F629 WeakPolarHBondContact O-CB 3.33Å; S625-F629 PolarHBondContact O-N 2.84Å; L627-F629 VanDerWaalsContact C-N 3.3Å; L627-F629 PolarHBondContact O-N 2.8Å; F629-E631 VanDerWaalsContact C-N 3.28Å; F629-E631 PolarHBondContact O-N 3.04Å; F629-Q632 WeakPolarHBondContact O-CB 3.15Å; F629-Q632 PolarHBondContact O-N 2.68Å; F629-Q632 VanDerWaalsContact O-N 3.09Å
630	M	98.3	Very high	97.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.8	-44.1	169.3	-76.4	-170.8	-67.6	0	0	111.3	F365 Y367 L385 M389 L403 I409 L626 L627 Q632 V633	F365-M630 HydrophobicContact CD1-CG 3.75Å; F365-M630 HydrophobicContact CD1-SD 4.11Å; F365-M630 HydrophobicContact CD2-CG 4.31Å; F365-M630 HydrophobicContact CE1-CG 3.39Å; F365-M630 HydrophobicContact CE1-SD 3.93Å; F365-M630 HydrophobicContact CE2-CB 4.49Å; F365-M630 HydrophobicContact CE2-CG 3.97Å; F365-M630 HydrophobicContact CG-CG 4.23Å; F365-M630 HydrophobicContact CZ-CB 4.48Å; F365-M630 HydrophobicContact CZ-CG 3.52Å; Y367-M630 HydrophobicContact CD2-CG 4.4Å; Y367-M630 HydrophobicContact CD2-SD 4.37Å; Y367-M630 HydrophobicContact CE2-CG 3.82Å; Y367-M630 HydrophobicContact CE2-SD 4.2Å; L385-M630 HydrophobicContact CD1-CE 4.11Å; L385-M630 HydrophobicContact CD2-CE 4Å; L385-M630 HydrophobicContact CD2-SD 4.49Å; M389-M630 HydrophobicContact SD-CE 4.1Å; L403-M630 HydrophobicContact CD1-CB 4.29Å; L403-M630 HydrophobicContact CD2-CB 4.28Å; L403-M630 HydrophobicContact CD2-CE 3.99Å; L403-M630 HydrophobicContact CD2-SD 4.49Å; I409-M630 HydrophobicContact CD1-SD 4Å; I409-M630 HydrophobicContact CG1-SD 4.41Å; I409-M630 HydrophobicContact CG2-SD 4.01Å; L626-M630 WeakPolarHBondContact O-CE 3.48Å; L626-M630 WeakPolarHBondContact O-CG 3.39Å; L626-M630 PolarHBondContact O-N 3.05Å; L627-M630 HydrophobicContact CD2-CE 3.84Å; L627-M630 WeakPolarHBondContact O-CB 3.36Å; L627-M630 PolarHBondContact O-N 3.22Å; M630-Q632 PolarHBondContact O-N 3.47Å; M630-V633 WeakPolarHBondContact O-CB 3Å; M630-V633 VanDerWaalsContact O-CG1 3.23Å; M630-V633 WeakPolarHBondContact O-CG1 3.34Å; M630-V633 PolarHBondContact O-N 2.88Å; M630-V633 VanDerWaalsContact O-N 3.11Å
631	E	97.9	Very high	97.8	Very high	34 Å²	34	14.3 Å²	14.3	16%	0.159	7%	0.068	C	C	.	.	H	α-helix	trans	-61.7	-22.2	177.2	-69.9	169.3	153.8	0	0	113.6	R399 L403 L627 V628 F629 V633 H634	R399-E631 WeakPolarHBondContact CG-OE1 3.43Å; R399-E631 IonicContact CZ-OE1 2.7Å; R399-E631 IonicContact CZ-OE2 2.7Å; R399-E631 IonicContact NE-OE1 3.89Å; R399-E631 PolarHBondContact NE-OE1 2.87Å; R399-E631 IonicContact NE-OE2 3.1Å; R399-E631 IonicContact NH2-OE1 3.05Å; R399-E631 IonicContact NH2-OE2 3.79Å; R399-E631 PolarHBondContact NH2-OE2 2.92Å; L403-E631 HydrophobicContact CD1-CG 4.15Å; L627-E631 WeakPolarHBondContact O-CG 3.2Å; L627-E631 PolarHBondContact O-N 3.05Å; V628-E631 PolarHBondContact O-N 3.38Å; F629-E631 VanDerWaalsContact C-N 3.28Å; F629-E631 PolarHBondContact O-N 3.04Å; E631-V633 PolarHBondContact O-N 3.34Å; E631-H634 PolarHBondContact O-N 3.33Å
632	Q	97.9	Very high	97.8	Very high	15 Å²	15	18.1 Å²	18.1	7%	0.07	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-69.6	-14.3	175.5	-57.9	-44.7	-77.4	0	0	113.8	L505 L544 S547 V628 F629 M630 H634 R635	L505-Q632 HydrophobicContact CD2-CB 3.96Å; L544-Q632 HydrophobicContact CD2-CB 3.51Å; L544-Q632 HydrophobicContact CD2-CG 3.99Å; S547-Q632 WeakPolarHBondContact OG-CG 3.16Å; V628-Q632 WeakPolarHBondContact O-CG 3.47Å; V628-Q632 PolarHBondContact O-N 2.76Å; V628-Q632 PolarHBondContact O-NE2 3.01Å; F629-Q632 WeakPolarHBondContact O-CB 3.15Å; F629-Q632 PolarHBondContact O-N 2.68Å; F629-Q632 VanDerWaalsContact O-N 3.09Å; M630-Q632 PolarHBondContact O-N 3.47Å; Q632-H634 PolarHBondContact O-N 2.95Å; Q632-R635 VanDerWaalsContact O-CB 3.29Å; Q632-R635 WeakPolarHBondContact O-CB 3.21Å; Q632-R635 PolarHBondContact O-N 3.09Å
633	V	98.1	Very high	97.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.4	174.5	81.4	0	0	0	0	111.7	P363 F365 T407 V504 L505 M630 E631 R635	P363-V633 HydrophobicContact CB-CG1 4.24Å; P363-V633 HydrophobicContact CB-CG2 3.68Å; P363-V633 HydrophobicContact CG-CG1 3.89Å; P363-V633 HydrophobicContact CG-CG2 4.25Å; F365-V633 HydrophobicContact CD2-CB 4.35Å; T407-V633 HydrophobicContact CG2-CG1 3.71Å; V504-V633 HydrophobicContact CB-CG2 3.74Å; V504-V633 HydrophobicContact CG1-CG2 3.81Å; L505-V633 HydrophobicContact CB-CB 4.06Å; L505-V633 HydrophobicContact CB-CG2 3.73Å; L505-V633 HydrophobicContact CD2-CB 4.11Å; M630-V633 WeakPolarHBondContact O-CB 3Å; M630-V633 VanDerWaalsContact O-CG1 3.23Å; M630-V633 WeakPolarHBondContact O-CG1 3.34Å; M630-V633 PolarHBondContact O-N 2.88Å; M630-V633 VanDerWaalsContact O-N 3.11Å; E631-V633 PolarHBondContact O-N 3.34Å; V633-R635 PolarHBondContact O-N 3.11Å
634	H	97.3	Very high	97.4	Very high	19 Å²	19	22 Å²	22	9%	0.088	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-86.8	37.6	175.5	-69.3	-70.6	0	0	0	113.1	P363 E406 T407 E631 Q632 I702 G703 A704	P363-H634 WeakPolarHBondContact CG-CE1 3.36Å; E406-H634 PolarHBondContact O-CE1 2.72Å; E406-H634 PolarHBondContact O-NE2 2.89Å; T407-H634 PolarHBondContact OG1-NE2 3.32Å; E631-H634 PolarHBondContact O-N 3.33Å; Q632-H634 PolarHBondContact O-N 2.95Å; H634-I702 HydrophobicContact CB-CG2 4.15Å; H634-G703 CarbonylContact O-C 3.42Å; H634-G703 VanDerWaalsContact O-CA 3.3Å; H634-G703 WeakPolarHBondContact O-CA 3.15Å; H634-G703 PolarHBondContact O-N 2.65Å; H634-A704 PolarHBondContact O-N 2.9Å
635	R	95.2	Very high	97.1	Very high	28 Å²	28	24.6 Å²	24.6	11%	0.106	12%	0.117	C	C	.	.			trans	-117.1	161.1	179.1	-148.4	-179.4	-167.4	-146.2	14	113	W543 Q632 V633 L674 N676	W543-R635 VanDerWaalsContact CD1-NH1 3.28Å; W543-R635 VanDerWaalsContact CH2-NH2 3.3Å; Q632-R635 VanDerWaalsContact O-CB 3.29Å; Q632-R635 WeakPolarHBondContact O-CB 3.21Å; Q632-R635 PolarHBondContact O-N 3.09Å; V633-R635 PolarHBondContact O-N 3.11Å; R635-L674 HydrophobicContact CB-CD2 4.48Å; R635-N676 PolarHBondContact NH1-OD1 3.26Å
636	G	97	Very high	96.8	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	76.5	-126.4	-178.7	0	0	0	0	0	111.9	R673 L675 T705	G636-R673 WeakPolarHBondContact CA-O 3.21Å; G636-L675 PolarHBondContact N-O 2.94Å; G636-T705 PolarHBondContact O-N 2.76Å
637	I	98.1	Very high	96.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.5	-178.8	61.5	179.2	0	0	0	112.1	Y671 W672 R673 L675 V682 C696 V698 T705	I637-Y671 HydrophobicContact CD1-CE2 4.1Å; I637-Y671 HydrophobicContact CG1-CE2 4.07Å; I637-W672 CarbonylContact O-C 3.52Å; I637-W672 WeakPolarHBondContact O-CA 3.36Å; I637-R673 HydrophobicContact CG1-CB 3.96Å; I637-R673 PolarHBondContact N-O 3.47Å; I637-R673 PolarHBondContact O-N 3.38Å; I637-L675 HydrophobicContact CD1-CD1 4.22Å; I637-L675 HydrophobicContact CG1-CD1 4.22Å; I637-V682 HydrophobicContact CD1-CG1 4.19Å; I637-V682 HydrophobicContact CD1-CG2 3.88Å; I637-C696 HydrophobicContact CD1-CB 4.25Å; I637-C696 HydrophobicContact CG2-CB 4.05Å; I637-V698 HydrophobicContact CG2-CG2 3.72Å; I637-T705 WeakPolarHBondContact CA-O 3.38Å; I637-T705 WeakPolarHBondContact CB-O 3.27Å
638	K	97.8	Very high	96.5	Very high	31 Å²	31	34.5 Å²	34.5	14%	0.135	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	160.2	165.9	70.1	-177.6	-177	177.1	0	110.8	G361 E406 Y671 W672 A704 T705 R706 C707	G361-K638 VanDerWaalsContact O-CD 3.32Å; G361-K638 WeakPolarHBondContact O-CD 3.44Å; G361-K638 WeakPolarHBondContact O-CE 3.34Å; G361-K638 PolarHBondContact O-NZ 2.93Å; E406-K638 IonicContact OE2-NZ 3.86Å; E406-K638 PolarHBondContact OE2-NZ 2.74Å; K638-Y671 CarbonylContact C-O 3.58Å; K638-Y671 VanDerWaalsContact CA-O 3.29Å; K638-Y671 WeakPolarHBondContact CA-O 3.27Å; K638-W672 HydrophobicContact CB-CG 4.15Å; K638-A704 HydrophobicContact CB-CB 4.06Å; K638-A704 HydrophobicContact CD-CB 4.09Å; K638-A704 HydrophobicContact CG-CB 3.84Å; K638-T705 PolarHBondContact N-O 3.4Å; K638-T705 VanDerWaalsContact N-O 3.12Å; K638-R706 CarbonylContact O-C 3.45Å; K638-R706 VanDerWaalsContact O-CA 3.23Å; K638-R706 WeakPolarHBondContact O-CA 3.38Å; K638-C707 PolarHBondContact O-N 2.88Å
639	G	97.6	Very high	96.4	Very high	6 Å²	6	34.1 Å²	34.1	6%	0.062	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.8	177.1	178.3	0	0	0	0	0	114.5	D670 Y671 D708	G639-D670 CarbonylContact O-C 3.56Å; G639-D670 VanDerWaalsContact O-CA 3.25Å; G639-D670 WeakPolarHBondContact O-CA 3.44Å; G639-Y671 PolarHBondContact N-O 2.93Å; G639-Y671 WeakPolarHBondContact O-CD1 3.27Å; G639-Y671 PolarHBondContact O-N 3.21Å; G639-D708 VanDerWaalsContact CA-OD1 3.27Å; G639-D708 WeakPolarHBondContact CA-OD1 3.35Å
640	V	98.2	Very high	96.3	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.4	-175.8	-160.9	0	0	0	0	112.2	V360 R642 D670 D708 F709	V360-V640 HydrophobicContact CG1-CG2 4.02Å; V640-R642 HydrophobicContact CB-CG 4.32Å; V640-R642 HydrophobicContact CG1-CG 3.83Å; V640-D670 HydrophobicContact CG1-CB 4.38Å; V640-D670 HydrophobicContact CG2-CB 4.07Å; V640-D708 PolarHBondContact N-OD1 3.28Å; V640-D708 WeakPolarHBondContact O-CA 3.35Å; V640-F709 PolarHBondContact O-N 3.03Å
641	V	98.2	Very high	96.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	114.9	168.7	-172.8	0	0	0	0	109.3	I649 A652 I654 T665 G669 Y671 A684 F709 I711	V641-I649 HydrophobicContact CG1-CB 4.41Å; V641-I649 HydrophobicContact CG1-CD1 4.41Å; V641-I649 PolarHBondContact O-N 2.81Å; V641-A652 HydrophobicContact CB-CB 4.13Å; V641-A652 HydrophobicContact CG1-CB 3.89Å; V641-A652 HydrophobicContact CG2-CB 4.18Å; V641-I654 HydrophobicContact CG2-CD1 3.63Å; V641-T665 HydrophobicContact CB-CG2 4.07Å; V641-T665 HydrophobicContact CG2-CG2 3.55Å; V641-G669 PolarHBondContact N-O 3.38Å; V641-Y671 HydrophobicContact CG2-CD1 4.35Å; V641-A684 HydrophobicContact CG1-CB 4.41Å; V641-A684 HydrophobicContact CG2-CB 4.21Å; V641-F709 HydrophobicContact CB-CB 4.49Å; V641-F709 HydrophobicContact CG1-CB 4.31Å; V641-F709 HydrophobicContact CG2-CB 4.22Å; V641-I711 HydrophobicContact CG1-CD1 3.69Å; V641-I711 HydrophobicContact CG1-CG1 4.05Å
642	R	97	Very high	96.2	Very high	88 Å²	88	39.4 Å²	39.4	33%	0.332	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	154.1	-176.5	-62.5	176.5	-177.4	-101.9	-2.2	113.1	V640 G646 R647 F709 T710 I711	V640-R642 HydrophobicContact CB-CG 4.32Å; V640-R642 HydrophobicContact CG1-CG 3.83Å; R642-G646 WeakPolarHBondContact CD-O 3.48Å; R642-G646 PolarHBondContact NH1-O 3.45Å; R642-R647 CarbonylContact C-O 3.34Å; R642-R647 WeakPolarHBondContact CA-O 3.38Å; R642-F709 PolarHBondContact N-O 2.75Å; R642-T710 CarbonylContact O-C 3.48Å; R642-T710 VanDerWaalsContact O-CA 3.29Å; R642-T710 WeakPolarHBondContact O-CA 3.04Å; R642-I711 PolarHBondContact O-N 2.89Å
643	D	94	Very high	96.2	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	174.2	166.4	74.2	3.8	0	0	0	111.8	Q645 G646 R647 I649 Y689	D643-Q645 PolarHBondContact O-N 2.79Å; D643-Q645 WeakPolarHBondContact OD1-CA 3.42Å; D643-Q645 VanDerWaalsContact OD1-CB 3.28Å; D643-Q645 WeakPolarHBondContact OD1-CB 3.44Å; D643-Q645 PolarHBondContact OD1-N 3.41Å; D643-G646 PolarHBondContact O-N 3.49Å; D643-G646 PolarHBondContact OD1-N 3.36Å; D643-R647 PolarHBondContact N-O 3.38Å; D643-R647 PolarHBondContact OD1-N 3.33Å; D643-R647 IonicContact OD1-NE 3.9Å; D643-R647 IonicContact OD2-CZ 3.81Å; D643-R647 IonicContact OD2-NE 2.86Å; D643-R647 PolarHBondContact OD2-NE 2.83Å; D643-R647 IonicContact OD2-NH2 3.87Å; D643-R647 PolarHBondContact OD2-NH2 3.01Å; D643-I649 HydrophobicContact CB-CD1 3.96Å; D643-I649 HydrophobicContact CB-CG1 4.23Å; D643-Y689 HydrophobicContact CB-CE1 4.07Å
644	L	92.1	Very high	96.3	Very high	122 Å²	122	39.3 Å²	39.3	64%	0.639	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	3	175.1	-67.3	172	0	0	0	113.8	T710	L644-T710 HydrophobicContact CD2-CG2 4.21Å
645	Q	91.6	Very high	96.3	Very high	132 Å²	132	39.8 Å²	39.8	62%	0.617	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	3.3	172.8	-69.4	67.2	81.8	0	0	110.9	D643 R647	D643-Q645 PolarHBondContact O-N 2.79Å; D643-Q645 WeakPolarHBondContact OD1-CA 3.42Å; D643-Q645 VanDerWaalsContact OD1-CB 3.28Å; D643-Q645 WeakPolarHBondContact OD1-CB 3.44Å; D643-Q645 PolarHBondContact OD1-N 3.41Å; Q645-R647 VanDerWaalsContact C-N 3.34Å; Q645-R647 HydrophobicContact CB-CG 4.48Å
646	G	92.3	Very high	96.4	Very high	38 Å²	38	38.7 Å²	38.7	39%	0.392	21%	0.21	S	C	.	.	S	Bend	trans	83	1.7	178.4	0	0	0	0	0	115.1	R642 D643	R642-G646 WeakPolarHBondContact CD-O 3.48Å; R642-G646 PolarHBondContact NH1-O 3.45Å; D643-G646 PolarHBondContact O-N 3.49Å; D643-G646 PolarHBondContact OD1-N 3.36Å
647	R	94.7	Very high	96.5	Very high	144 Å²	144	44.6 Å²	44.6	54%	0.543	24%	0.237	S	C	.	.			trans	-83.1	146.8	-178.1	-56.3	178.6	-60.7	165.3	4.5	110.9	R642 D643 Q645	R642-R647 CarbonylContact C-O 3.34Å; R642-R647 WeakPolarHBondContact CA-O 3.38Å; D643-R647 PolarHBondContact N-O 3.38Å; D643-R647 PolarHBondContact OD1-N 3.33Å; D643-R647 IonicContact OD1-NE 3.9Å; D643-R647 IonicContact OD2-CZ 3.81Å; D643-R647 IonicContact OD2-NE 2.86Å; D643-R647 PolarHBondContact OD2-NE 2.83Å; D643-R647 IonicContact OD2-NH2 3.87Å; D643-R647 PolarHBondContact OD2-NH2 3.01Å; Q645-R647 VanDerWaalsContact C-N 3.34Å; Q645-R647 HydrophobicContact CB-CG 4.48Å
648	G	96.1	Very high	96.3	Very high	32 Å²	32	48.6 Å²	48.6	33%	0.33	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-58	149.5	172.1	0	0	0	0	0	113.5	D668	G648-D668 WeakPolarHBondContact CA-O 3.32Å
649	I	97.3	Very high	96.3	Very high	14 Å²	14	48 Å²	48	7%	0.072	28%	0.276	C	S	.	.			trans	-120.1	97.7	172.3	-57	172.9	0	0	0	108.7	V641 D643 A652 T665 G669 A686 Y689 I711	V641-I649 HydrophobicContact CG1-CB 4.41Å; V641-I649 HydrophobicContact CG1-CD1 4.41Å; V641-I649 PolarHBondContact O-N 2.81Å; D643-I649 HydrophobicContact CB-CD1 3.96Å; D643-I649 HydrophobicContact CB-CG1 4.23Å; I649-A652 HydrophobicContact CG2-CB 4.19Å; I649-A652 WeakPolarHBondContact O-CB 3.41Å; I649-T665 PolarHBondContact O-OG1 3.16Å; I649-G669 WeakPolarHBondContact O-CA 3.48Å; I649-A686 HydrophobicContact CG2-CB 3.75Å; I649-Y689 HydrophobicContact CD1-CD1 3.93Å; I649-Y689 HydrophobicContact CD1-CD2 4.27Å; I649-Y689 HydrophobicContact CD1-CE1 3.65Å; I649-Y689 HydrophobicContact CD1-CE2 4Å; I649-Y689 HydrophobicContact CD1-CG 4.26Å; I649-Y689 HydrophobicContact CG1-CE2 4.48Å; I649-Y689 HydrophobicContact CG2-CD2 4.41Å; I649-Y689 HydrophobicContact CG2-CE2 4.06Å; I649-I711 HydrophobicContact CD1-CD1 3.7Å; I649-I711 HydrophobicContact CD1-CG1 3.43Å; I649-I711 VanDerWaalsContact CD1-CG1 3.43Å
650	A	96.7	Very high	96.3	Very high	43 Å²	43	49.8 Å²	49.8	36%	0.355	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	151.2	173.4	0	0	0	0	0	112.7	A652 A666 A667	A650-A652 PolarHBondContact O-N 2.94Å; A650-A652 VanDerWaalsContact O-N 3.1Å; A650-A666 VanDerWaalsContact CA-O 3.3Å; A650-A666 WeakPolarHBondContact CA-O 3.41Å; A650-A666 WeakPolarHBondContact CB-O 3.36Å; A650-A667 WeakPolarHBondContact CB-O 3.38Å
651	N	96.5	Very high	96.2	Very high	102 Å²	102	49.6 Å²	49.6	55%	0.545	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	20.3	-179.3	-68.1	-90.3	0	0	0	114.6	T665	N651-T665 PolarHBondContact N-O 2.77Å; N651-T665 VanDerWaalsContact N-O 3.14Å; N651-T665 PolarHBondContact N-OG1 2.92Å; N651-T665 VanDerWaalsContact N-OG1 3.11Å
652	A	97.5	Very high	96.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.297	C	S	.	.			trans	-67.3	137.3	163.1	0	0	0	0	0	108.7	V641 I649 A650 R664 T665 R685 A686	V641-A652 HydrophobicContact CB-CB 4.13Å; V641-A652 HydrophobicContact CG1-CB 3.89Å; V641-A652 HydrophobicContact CG2-CB 4.18Å; I649-A652 HydrophobicContact CG2-CB 4.19Å; I649-A652 WeakPolarHBondContact O-CB 3.41Å; A650-A652 PolarHBondContact O-N 2.94Å; A650-A652 VanDerWaalsContact O-N 3.1Å; A652-R664 CarbonylContact O-C 3.46Å; A652-R664 WeakPolarHBondContact O-CA 3.24Å; A652-T665 HydrophobicContact CB-CG2 3.95Å; A652-T665 WeakPolarHBondContact CB-OG1 3.33Å; A652-T665 PolarHBondContact N-OG1 2.9Å; A652-T665 PolarHBondContact O-N 3.44Å; A652-T665 PolarHBondContact O-OG1 2.76Å; A652-R685 CarbonylContact C-O 3.48Å; A652-A686 HydrophobicContact CB-CB 3.88Å
653	I	98	Very high	96.3	Very high	14 Å²	14	46 Å²	46	7%	0.072	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.5	-176	-61.3	161.6	0	0	0	109.1	F470 D662 V663 R664 A684 R685	F470-I653 HydrophobicContact CE1-CD1 4.5Å; F470-I653 HydrophobicContact CZ-CD1 4.4Å; I653-D662 HydrophobicContact CG2-CB 3.43Å; I653-D662 VanDerWaalsContact CG2-CB 3.43Å; I653-D662 VanDerWaalsContact CG2-OD2 3.23Å; I653-D662 WeakPolarHBondContact CG2-OD2 3.07Å; I653-V663 CarbonylContact C-O 3.18Å; I653-V663 WeakPolarHBondContact CA-O 3.32Å; I653-R664 HydrophobicContact CG1-CG 4.1Å; I653-A684 WeakPolarHBondContact O-CA 3.42Å; I653-R685 HydrophobicContact CB-CG 3.92Å; I653-R685 HydrophobicContact CG2-CG 4.47Å; I653-R685 PolarHBondContact N-O 2.75Å; I653-R685 PolarHBondContact O-N 2.84Å
654	I	98.4	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	110	177.8	-54.7	-58.9	0	0	0	108.6	V641 D662 V663 Y671 V682 T683 A684	V641-I654 HydrophobicContact CG2-CD1 3.63Å; I654-D662 WeakPolarHBondContact O-CA 3.47Å; I654-D662 WeakPolarHBondContact O-CB 3.34Å; I654-V663 HydrophobicContact CB-CG2 3.99Å; I654-V663 HydrophobicContact CG2-CG2 4.49Å; I654-V663 PolarHBondContact N-O 3.14Å; I654-V663 PolarHBondContact O-N 3.18Å; I654-Y671 HydrophobicContact CB-CD2 4.34Å; I654-Y671 HydrophobicContact CB-CE2 4.43Å; I654-Y671 HydrophobicContact CD1-CD1 4.07Å; I654-Y671 HydrophobicContact CD1-CE1 4Å; I654-Y671 HydrophobicContact CD1-CG 4.44Å; I654-Y671 HydrophobicContact CG1-CD1 3.86Å; I654-Y671 HydrophobicContact CG1-CD2 3.83Å; I654-Y671 HydrophobicContact CG1-CE1 4.11Å; I654-Y671 HydrophobicContact CG1-CE2 4.08Å; I654-Y671 HydrophobicContact CG1-CG 3.73Å; I654-Y671 HydrophobicContact CG2-CD2 4.22Å; I654-Y671 HydrophobicContact CG2-CE2 3.84Å; I654-V682 HydrophobicContact CG2-CG1 3.44Å; I654-V682 VanDerWaalsContact CG2-CG1 3.44Å; I654-T683 WeakPolarHBondContact CA-O 3.42Å; I654-A684 HydrophobicContact CD1-CB 3.64Å
655	S	98.1	Very high	96.7	Very high	28 Å²	28	42.5 Å²	42.5	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.2	178	66.8	0	0	0	0	110.9	D662 T683	S655-D662 WeakPolarHBondContact CB-OD1 3.46Å; S655-T683 PolarHBondContact N-O 2.76Å; S655-T683 PolarHBondContact O-N 2.83Å
656	V	98.3	Very high	97	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	130	178.7	-176.7	0	0	0	0	109.7	G658 I659 R673 Y680 V682	V656-G658 PolarHBondContact O-N 2.68Å; V656-I659 HydrophobicContact CB-CB 4.3Å; V656-I659 HydrophobicContact CB-CD1 4.21Å; V656-I659 HydrophobicContact CB-CG1 4.37Å; V656-I659 HydrophobicContact CG1-CD1 3.86Å; V656-I659 HydrophobicContact CG1-CG1 4.14Å; V656-I659 PolarHBondContact O-N 2.69Å; V656-R673 HydrophobicContact CG2-CG 4.25Å; V656-Y680 HydrophobicContact CG1-CD1 3.55Å; V656-Y680 HydrophobicContact CG1-CE1 4.38Å; V656-Y680 HydrophobicContact CG1-CG 4.2Å; V656-V682 HydrophobicContact CG2-CG2 4.34Å
657	E	97.3	Very high	97.2	Very high	125 Å²	125	38.8 Å²	38.8	58%	0.584	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	127.6	178.2	-174.7	169.5	-131.3	0	0	110.7	R681	E657-R681 HydrophobicContact CB-CB 3.88Å; E657-R681 WeakPolarHBondContact CB-O 3.14Å; E657-R681 PolarHBondContact N-O 2.82Å; E657-R681 IonicContact OE1-NE 3.69Å; E657-R681 WeakPolarHBondContact OE2-CB 3.23Å; E657-R681 WeakPolarHBondContact OE2-CD 3.28Å; E657-R681 IonicContact OE2-CZ 3.75Å; E657-R681 IonicContact OE2-NE 3.57Å; E657-R681 PolarHBondContact OE2-NE 2.84Å; E657-R681 IonicContact OE2-NH2 3.94Å
658	G	95.8	Very high	97.2	Very high	84 Å²	84	36.1 Å²	36.1	87%	0.866	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	-19.6	-177.7	0	0	0	0	0	115.2	V656	V656-G658 PolarHBondContact O-N 2.68Å
659	I	97.6	Very high	97.3	Very high	19 Å²	19	34.6 Å²	34.6	10%	0.097	23%	0.229	C	C	.	.			trans	-102.1	125.9	-178.8	-52	-178.6	0	0	0	110.6	P536 D537 V656 H661 R673 L675 Y680	P536-I659 HydrophobicContact CB-CG2 4.13Å; D537-I659 WeakPolarHBondContact OD2-CG2 3.33Å; V656-I659 HydrophobicContact CB-CB 4.3Å; V656-I659 HydrophobicContact CB-CD1 4.21Å; V656-I659 HydrophobicContact CB-CG1 4.37Å; V656-I659 HydrophobicContact CG1-CD1 3.86Å; V656-I659 HydrophobicContact CG1-CG1 4.14Å; V656-I659 PolarHBondContact O-N 2.69Å; I659-H661 PolarHBondContact O-N 3.03Å; I659-H661 VanDerWaalsContact O-N 3.11Å; I659-R673 VanDerWaalsContact CG2-NH2 3.34Å; I659-L675 HydrophobicContact CD1-CD2 3.52Å; I659-Y680 HydrophobicContact CD1-CE1 4.2Å
660	G	96	Very high	97.3	Very high	44 Å²	44	34 Å²	34	45%	0.454	23%	0.225	S	C	.	.	S	Bend	trans	-74.9	10.2	-171.5	0	0	0	0	0	116.8	N471	N471-G660 VanDerWaalsContact CB-O 3.22Å; N471-G660 WeakPolarHBondContact CB-O 3.44Å; N471-G660 VanDerWaalsContact ND2-C 3.31Å; N471-G660 PolarHBondContact ND2-O 3Å
661	H	97.8	Very high	97.4	Very high	2 Å²	2	32 Å²	32	1%	0.009	21%	0.209	C	C	.	.			trans	-138.5	123.6	-173.9	174.6	74.6	0	0	0	110.3	N471 P536 Y592 I659 R673	N471-H661 VanDerWaalsContact ND2-CA 3.32Å; N471-H661 WeakPolarHBondContact ND2-CA 3.24Å; N471-H661 PolarHBondContact ND2-N 3.15Å; N471-H661 PolarHBondContact O-ND1 2.91Å; P536-H661 HydrophobicContact CB-CB 4.12Å; P536-H661 HydrophobicContact CG-CB 4.23Å; Y592-H661 AromaticContact CD2-NE2 3.94Å; Y592-H661 AromaticContact CE2-CD2 3.5Å; Y592-H661 VanDerWaalsContact CE2-CD2 3.5Å; Y592-H661 WeakPolarHBondContact CE2-CD2 3.49Å; Y592-H661 AromaticContact CE2-NE2 3.52Å; Y592-H661 AromaticContact CZ-CD2 3.65Å; Y592-H661 AromaticContact CZ-CG 3.79Å; Y592-H661 AromaticContact CZ-NE2 3.93Å; Y592-H661 PolarHBondContact O-CE1 3.36Å; Y592-H661 WeakPolarHBondContact OH-CB 3.45Å; I659-H661 PolarHBondContact O-N 3.03Å; I659-H661 VanDerWaalsContact O-N 3.11Å; H661-R673 PolarHBondContact O-NH1 3.25Å; H661-R673 PolarHBondContact O-NH2 2.85Å; H661-R673 VanDerWaalsContact O-NH2 3.08Å
662	D	97.8	Very high	97.5	Very high	13 Å²	13	27.5 Å²	27.5	7%	0.07	18%	0.184	C	C	.	.			trans	-94.4	158	178.1	-43.5	-9.1	0	0	0	110.5	N471 H472 I653 I654 S655 R685	N471-D662 PolarHBondContact ND2-N 2.87Å; N471-D662 PolarHBondContact ND2-OD1 2.79Å; N471-D662 PolarHBondContact OD1-OD1 2.87Å; H472-D662 WeakPolarHBondContact CB-O 3.41Å; H472-D662 IonicContact CE1-OD2 3.49Å; H472-D662 VanDerWaalsContact CG-O 3.26Å; H472-D662 WeakPolarHBondContact ND1-CB 3.29Å; H472-D662 IonicContact ND1-OD2 2.76Å; I653-D662 HydrophobicContact CG2-CB 3.43Å; I653-D662 VanDerWaalsContact CG2-CB 3.43Å; I653-D662 VanDerWaalsContact CG2-OD2 3.23Å; I653-D662 WeakPolarHBondContact CG2-OD2 3.07Å; I654-D662 WeakPolarHBondContact O-CA 3.47Å; I654-D662 WeakPolarHBondContact O-CB 3.34Å; S655-D662 WeakPolarHBondContact CB-OD1 3.46Å; D662-R685 IonicContact OD2-CZ 3.5Å; D662-R685 IonicContact OD2-NE 3.58Å; D662-R685 IonicContact OD2-NH2 3.54Å; D662-R685 PolarHBondContact OD2-NH2 3.21Å
663	V	98.2	Very high	97.6	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	165.1	168.5	-73.7	0	0	0	0	111.8	N596 I653 I654 Y671 R673	N596-V663 HydrophobicContact CB-CG1 4.41Å; N596-V663 WeakPolarHBondContact OD1-CA 3.49Å; N596-V663 VanDerWaalsContact OD1-CB 3.27Å; N596-V663 WeakPolarHBondContact OD1-CB 3.34Å; I653-V663 CarbonylContact C-O 3.18Å; I653-V663 WeakPolarHBondContact CA-O 3.32Å; I654-V663 HydrophobicContact CB-CG2 3.99Å; I654-V663 HydrophobicContact CG2-CG2 4.49Å; I654-V663 PolarHBondContact N-O 3.14Å; I654-V663 PolarHBondContact O-N 3.18Å; V663-Y671 HydrophobicContact CG2-CD2 4.48Å; V663-R673 HydrophobicContact CG2-CB 4.01Å; V663-R673 HydrophobicContact CG2-CG 4.26Å
664	R	97.8	Very high	97.6	Very high	45 Å²	45	27 Å²	27	17%	0.17	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	151.9	177.5	-61.6	-163.2	-175.1	157.2	10	112.9	H472 N596 A652 I653	H472-R664 PolarHBondContact CD2-NE 2.92Å; H472-R664 PolarHBondContact NE2-NE 3.47Å; H472-R664 PolarHBondContact NE2-NH2 3.36Å; N596-R664 PolarHBondContact ND2-O 3.44Å; N596-R664 PolarHBondContact OD1-N 3.26Å; A652-R664 CarbonylContact O-C 3.46Å; A652-R664 WeakPolarHBondContact O-CA 3.24Å; I653-R664 HydrophobicContact CG1-CG 4.1Å
665	T	98.3	Very high	97.5	Very high	6 Å²	6	27 Å²	27	4%	0.037	18%	0.182	C	C	.	.			trans	-75.4	144.2	170	56.1	0	0	0	0	112.8	V641 I649 N651 A652 G669 D670 Y671	V641-T665 HydrophobicContact CB-CG2 4.07Å; V641-T665 HydrophobicContact CG2-CG2 3.55Å; I649-T665 PolarHBondContact O-OG1 3.16Å; N651-T665 PolarHBondContact N-O 2.77Å; N651-T665 VanDerWaalsContact N-O 3.14Å; N651-T665 PolarHBondContact N-OG1 2.92Å; N651-T665 VanDerWaalsContact N-OG1 3.11Å; A652-T665 HydrophobicContact CB-CG2 3.95Å; A652-T665 WeakPolarHBondContact CB-OG1 3.33Å; A652-T665 PolarHBondContact N-OG1 2.9Å; A652-T665 PolarHBondContact O-N 3.44Å; A652-T665 PolarHBondContact O-OG1 2.76Å; T665-G669 WeakPolarHBondContact CG2-O 3.47Å; T665-D670 CarbonylContact C-O 3.51Å; T665-D670 WeakPolarHBondContact CA-O 3.39Å; T665-D670 VanDerWaalsContact CB-O 3.32Å; T665-D670 WeakPolarHBondContact CB-O 3.42Å; T665-Y671 HydrophobicContact CG2-CD1 4.25Å; T665-Y671 HydrophobicContact CG2-CG 4.49Å
666	A	97.1	Very high	97.4	Very high	14 Å²	14	27 Å²	27	12%	0.116	18%	0.179	C	C	.	.			trans	-70.6	-173	171.4	0	0	0	0	0	112	P502 A650 D668 G669 D670 W672	P502-A666 HydrophobicContact CB-CB 3.78Å; P502-A666 HydrophobicContact CG-CB 4.01Å; A650-A666 VanDerWaalsContact CA-O 3.3Å; A650-A666 WeakPolarHBondContact CA-O 3.41Å; A650-A666 WeakPolarHBondContact CB-O 3.36Å; A666-D668 VanDerWaalsContact C-N 3.31Å; A666-D668 PolarHBondContact O-N 2.87Å; A666-G669 PolarHBondContact O-N 3.21Å; A666-G669 VanDerWaalsContact O-N 3.08Å; A666-D670 PolarHBondContact N-O 3.37Å; A666-W672 HydrophobicContact CB-CZ3 4.3Å
667	A	95.7	Very high	97.4	Very high	78 Å²	78	28.1 Å²	28.1	65%	0.645	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-37.5	-170.8	0	0	0	0	0	113.9	A650 G669	A650-A667 WeakPolarHBondContact CB-O 3.38Å; A667-G669 VanDerWaalsContact C-N 3.3Å; A667-G669 PolarHBondContact O-N 2.92Å
668	D	95.9	Very high	97.3	Very high	89 Å²	89	23.6 Å²	23.6	48%	0.476	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	15.8	-178.9	-73.7	-80.9	0	0	0	113.3	V360 G648 A666 D670	V360-D668 HydrophobicContact CG1-CB 4.44Å; V360-D668 HydrophobicContact CG2-CB 3.76Å; G648-D668 WeakPolarHBondContact CA-O 3.32Å; A666-D668 VanDerWaalsContact C-N 3.31Å; A666-D668 PolarHBondContact O-N 2.87Å; D668-D670 VanDerWaalsContact C-N 3.28Å; D668-D670 PolarHBondContact O-N 3.05Å
669	G	97.5	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	79.3	7.1	172.9	0	0	0	0	0	114.5	V641 I649 T665 A666 A667	V641-G669 PolarHBondContact N-O 3.38Å; I649-G669 WeakPolarHBondContact O-CA 3.48Å; T665-G669 WeakPolarHBondContact CG2-O 3.47Å; A666-G669 PolarHBondContact O-N 3.21Å; A666-G669 VanDerWaalsContact O-N 3.08Å; A667-G669 VanDerWaalsContact C-N 3.3Å; A667-G669 PolarHBondContact O-N 2.92Å
670	D	98.1	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	156	174.7	57.1	-33.7	0	0	0	113.2	H358 V360 G361 G639 V640 T665 A666 D668 W672	H358-D670 IonicContact NE2-OD2 3.2Å; V360-D670 WeakPolarHBondContact CA-OD2 3.24Å; V360-D670 HydrophobicContact CG1-CB 3.84Å; G361-D670 PolarHBondContact N-OD2 2.86Å; G639-D670 CarbonylContact O-C 3.56Å; G639-D670 VanDerWaalsContact O-CA 3.25Å; G639-D670 WeakPolarHBondContact O-CA 3.44Å; V640-D670 HydrophobicContact CG1-CB 4.38Å; V640-D670 HydrophobicContact CG2-CB 4.07Å; T665-D670 CarbonylContact C-O 3.51Å; T665-D670 WeakPolarHBondContact CA-O 3.39Å; T665-D670 VanDerWaalsContact CB-O 3.32Å; T665-D670 WeakPolarHBondContact CB-O 3.42Å; A666-D670 PolarHBondContact N-O 3.37Å; D668-D670 VanDerWaalsContact C-N 3.28Å; D668-D670 PolarHBondContact O-N 3.05Å; D670-W672 HydrophobicContact CB-CH2 4.46Å; D670-W672 WeakPolarHBondContact OD2-CH2 3.18Å; D670-W672 WeakPolarHBondContact OD2-CZ2 3.21Å
671	Y	98.6	Very high	97.5	Very high	1 Å²	1	31 Å²	31	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.9	179.9	77.2	-81.2	0	0	0	111.4	I637 K638 G639 V641 I654 V663 T665 R673 C707 F709	I637-Y671 HydrophobicContact CD1-CE2 4.1Å; I637-Y671 HydrophobicContact CG1-CE2 4.07Å; K638-Y671 CarbonylContact C-O 3.58Å; K638-Y671 VanDerWaalsContact CA-O 3.29Å; K638-Y671 WeakPolarHBondContact CA-O 3.27Å; G639-Y671 PolarHBondContact N-O 2.93Å; G639-Y671 WeakPolarHBondContact O-CD1 3.27Å; G639-Y671 PolarHBondContact O-N 3.21Å; V641-Y671 HydrophobicContact CG2-CD1 4.35Å; I654-Y671 HydrophobicContact CB-CD2 4.34Å; I654-Y671 HydrophobicContact CB-CE2 4.43Å; I654-Y671 HydrophobicContact CD1-CD1 4.07Å; I654-Y671 HydrophobicContact CD1-CE1 4Å; I654-Y671 HydrophobicContact CD1-CG 4.44Å; I654-Y671 HydrophobicContact CG1-CD1 3.86Å; I654-Y671 HydrophobicContact CG1-CD2 3.83Å; I654-Y671 HydrophobicContact CG1-CE1 4.11Å; I654-Y671 HydrophobicContact CG1-CE2 4.08Å; I654-Y671 HydrophobicContact CG1-CG 3.73Å; I654-Y671 HydrophobicContact CG2-CD2 4.22Å; I654-Y671 HydrophobicContact CG2-CE2 3.84Å; V663-Y671 HydrophobicContact CG2-CD2 4.48Å; T665-Y671 HydrophobicContact CG2-CD1 4.25Å; T665-Y671 HydrophobicContact CG2-CG 4.49Å; Y671-R673 HydrophobicContact CD2-CB 4.42Å; Y671-R673 HydrophobicContact CE2-CB 4.35Å; Y671-C707 PolarHBondContact OH-O 2.93Å; Y671-F709 HydrophobicContact CE1-CD2 4.38Å
672	W	98.5	Very high	97.5	Very high	8 Å²	8	30.9 Å²	30.9	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	144.1	170.2	-49.2	-104.3	0	0	0	107.4	H358 G361 E362 P363 P502 V504 I637 K638 A666 D670	H358-W672 AromaticContact CE1-CH2 3.64Å; H358-W672 AromaticContact NE2-CH2 3.75Å; G361-W672 PolarHBondContact O-NE1 3.32Å; E362-W672 WeakPolarHBondContact O-CZ2 3.48Å; P363-W672 HydrophobicContact CB-CD2 4.5Å; P363-W672 HydrophobicContact CB-CG 4.27Å; P502-W672 HydrophobicContact CB-CZ3 4.37Å; V504-W672 HydrophobicContact CB-CB 4.39Å; V504-W672 HydrophobicContact CG1-CB 3.66Å; V504-W672 HydrophobicContact CG1-CG 4.32Å; V504-W672 HydrophobicContact CG2-CB 3.75Å; V504-W672 HydrophobicContact CG2-CD2 3.62Å; V504-W672 HydrophobicContact CG2-CE3 3.6Å; V504-W672 HydrophobicContact CG2-CG 3.68Å; I637-W672 CarbonylContact O-C 3.52Å; I637-W672 WeakPolarHBondContact O-CA 3.36Å; K638-W672 HydrophobicContact CB-CG 4.15Å; A666-W672 HydrophobicContact CB-CZ3 4.3Å; D670-W672 HydrophobicContact CB-CH2 4.46Å; D670-W672 WeakPolarHBondContact OD2-CH2 3.18Å; D670-W672 WeakPolarHBondContact OD2-CZ2 3.21Å
673	R	98.1	Very high	97.5	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	106.1	171.5	-178.7	47.2	-178.4	-105.5	1	109.2	D537 G636 I637 V656 I659 H661 V663 Y671 L675	D537-R673 IonicContact OD1-CZ 3.54Å; D537-R673 IonicContact OD1-NE 2.71Å; D537-R673 IonicContact OD1-NH2 3.71Å; D537-R673 PolarHBondContact OD1-NH2 3.32Å; D537-R673 IonicContact OD2-CZ 3.26Å; D537-R673 IonicContact OD2-NH2 2.73Å; D537-R673 PolarHBondContact OD2-NH2 2.98Å; G636-R673 WeakPolarHBondContact CA-O 3.21Å; I637-R673 HydrophobicContact CG1-CB 3.96Å; I637-R673 PolarHBondContact N-O 3.47Å; I637-R673 PolarHBondContact O-N 3.38Å; V656-R673 HydrophobicContact CG2-CG 4.25Å; I659-R673 VanDerWaalsContact CG2-NH2 3.34Å; H661-R673 PolarHBondContact O-NH1 3.25Å; H661-R673 PolarHBondContact O-NH2 2.85Å; H661-R673 VanDerWaalsContact O-NH2 3.08Å; V663-R673 HydrophobicContact CG2-CB 4.01Å; V663-R673 HydrophobicContact CG2-CG 4.26Å; Y671-R673 HydrophobicContact CD2-CB 4.42Å; Y671-R673 HydrophobicContact CE2-CB 4.35Å; R673-L675 HydrophobicContact CG-CD1 4.39Å; R673-L675 HydrophobicContact CG-CD2 4.29Å; R673-L675 HydrophobicContact CG-CG 4.09Å; R673-L675 PolarHBondContact O-N 3.36Å
674	L	98.3	Very high	97.5	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.016	17%	0.17	C	C	.	.			trans	-59.7	129.3	172.6	-55	-179	0	0	0	109.2	V504 L505 V540 L544 F598 R635	V504-L674 HydrophobicContact CG1-CD2 4.04Å; V504-L674 HydrophobicContact CG1-CG 4.16Å; L505-L674 HydrophobicContact CB-CD1 4.27Å; L505-L674 HydrophobicContact CD1-CD1 4Å; V540-L674 HydrophobicContact CG1-CB 3.96Å; L544-L674 HydrophobicContact CD1-CD1 4.15Å; F598-L674 HydrophobicContact CB-CD1 3.98Å; F598-L674 HydrophobicContact CD1-CD1 4.34Å; F598-L674 HydrophobicContact CD2-CD1 4.24Å; F598-L674 HydrophobicContact CG-CD1 3.95Å; R635-L674 HydrophobicContact CB-CD2 4.48Å
675	L	97.8	Very high	97.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.			trans	-150.8	154.8	-179.3	-66.9	172.9	0	0	0	108.1	G636 I637 I659 R673 Y680 V698	G636-L675 PolarHBondContact N-O 2.94Å; I637-L675 HydrophobicContact CD1-CD1 4.22Å; I637-L675 HydrophobicContact CG1-CD1 4.22Å; I659-L675 HydrophobicContact CD1-CD2 3.52Å; R673-L675 HydrophobicContact CG-CD1 4.39Å; R673-L675 HydrophobicContact CG-CD2 4.29Å; R673-L675 HydrophobicContact CG-CG 4.09Å; R673-L675 PolarHBondContact O-N 3.36Å; L675-Y680 HydrophobicContact CB-CE2 4.05Å; L675-Y680 HydrophobicContact CD1-CD1 4.22Å; L675-Y680 HydrophobicContact CD1-CD2 3.85Å; L675-Y680 HydrophobicContact CD1-CE1 4.41Å; L675-Y680 HydrophobicContact CD1-CE2 4.07Å; L675-Y680 HydrophobicContact CD1-CG 3.91Å; L675-Y680 HydrophobicContact CD2-CD1 4.43Å; L675-Y680 HydrophobicContact CD2-CE1 4.05Å; L675-Y680 HydrophobicContact CG-CE2 4.5Å; L675-V698 HydrophobicContact CB-CG2 4.1Å; L675-V698 HydrophobicContact CD1-CG2 4.2Å
676	N	96	Very high	97.2	Very high	28 Å²	28	33.1 Å²	33.1	15%	0.15	18%	0.18	C	C	.	.			trans	-79.7	167.2	170	-70.3	-1.8	0	0	0	110.6	H539 R635 G678 Y680 V698	H539-N676 PolarHBondContact O-ND2 2.91Å; R635-N676 PolarHBondContact NH1-OD1 3.26Å; N676-G678 PolarHBondContact O-N 2.9Å; N676-Y680 WeakPolarHBondContact O-CE2 3.47Å; N676-Y680 PolarHBondContact O-OH 3.46Å; N676-V698 WeakPolarHBondContact O-CB 3.23Å; N676-V698 WeakPolarHBondContact O-CG1 3.45Å
677	P	96.6	Very high	96.9	Very high	30 Å²	30	40.6 Å²	40.6	20%	0.195	21%	0.212	C	C	.	.	S	Bend	trans	-60.1	132.6	177.5	-23.9	35.1	0	0	0	111.9	V698 G699 Y700	P677-V698 WeakPolarHBondContact CA-O 3.34Å; P677-G699 WeakPolarHBondContact CG-O 3.42Å; P677-Y700 HydrophobicContact CB-CD1 3.8Å; P677-Y700 HydrophobicContact CB-CD2 4.26Å; P677-Y700 HydrophobicContact CB-CE1 3.79Å; P677-Y700 HydrophobicContact CB-CE2 4.25Å; P677-Y700 HydrophobicContact CB-CG 4.04Å; P677-Y700 HydrophobicContact CG-CD1 3.7Å; P677-Y700 HydrophobicContact CG-CE1 4Å; P677-Y700 HydrophobicContact CG-CG 4.18Å
678	G	96	Very high	96.6	Very high	30 Å²	30	37.5 Å²	37.5	31%	0.309	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	161.5	178.9	-173.9	0	0	0	0	0	114.7	N676 V698	N676-G678 PolarHBondContact O-N 2.9Å; G678-V698 PolarHBondContact N-O 2.97Å; G678-V698 VanDerWaalsContact N-O 3.08Å; G678-V698 PolarHBondContact O-N 3.41Å
679	E	96.9	Very high	96.4	Very high	137 Å²	137	35.6 Å²	35.6	64%	0.64	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	125.4	176.2	-54.2	-164.2	152.1	0	0	110.8	K695 E697	E679-K695 WeakPolarHBondContact OE1-CE 3.36Å; E679-K695 IonicContact OE1-NZ 2.65Å; E679-K695 PolarHBondContact OE1-NZ 2.99Å; E679-K695 WeakPolarHBondContact OE2-CE 3.16Å; E679-K695 IonicContact OE2-NZ 2.76Å; E679-K695 PolarHBondContact OE2-NZ 2.69Å; E679-E697 HydrophobicContact CG-CG 4.38Å
680	Y	97.8	Very high	96.1	Very high	33 Å²	33	38 Å²	38	13%	0.129	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	134.9	-174	-66.4	-85.8	0	0	0	111.8	V656 I659 L675 N676 K695 C696 V698	V656-Y680 HydrophobicContact CG1-CD1 3.55Å; V656-Y680 HydrophobicContact CG1-CE1 4.38Å; V656-Y680 HydrophobicContact CG1-CG 4.2Å; I659-Y680 HydrophobicContact CD1-CE1 4.2Å; L675-Y680 HydrophobicContact CB-CE2 4.05Å; L675-Y680 HydrophobicContact CD1-CD1 4.22Å; L675-Y680 HydrophobicContact CD1-CD2 3.85Å; L675-Y680 HydrophobicContact CD1-CE1 4.41Å; L675-Y680 HydrophobicContact CD1-CE2 4.07Å; L675-Y680 HydrophobicContact CD1-CG 3.91Å; L675-Y680 HydrophobicContact CD2-CD1 4.43Å; L675-Y680 HydrophobicContact CD2-CE1 4.05Å; L675-Y680 HydrophobicContact CG-CE2 4.5Å; N676-Y680 WeakPolarHBondContact O-CE2 3.47Å; N676-Y680 PolarHBondContact O-OH 3.46Å; Y680-K695 CarbonylContact O-C 3.54Å; Y680-K695 WeakPolarHBondContact O-CA 3.38Å; Y680-C696 PolarHBondContact N-O 3.1Å; Y680-C696 PolarHBondContact O-N 3.42Å; Y680-C696 VanDerWaalsContact O-O 3.11Å; Y680-V698 HydrophobicContact CD2-CG2 3.87Å; Y680-V698 HydrophobicContact CE2-CB 4.36Å; Y680-V698 HydrophobicContact CE2-CG2 3.93Å
681	R	98.3	Very high	95.9	Very high	132 Å²	132	43.6 Å²	43.6	50%	0.498	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.4	166.6	-165.5	-169.9	-46.6	-72.9	-11	108.9	E657 T693 K694	E657-R681 HydrophobicContact CB-CB 3.88Å; E657-R681 WeakPolarHBondContact CB-O 3.14Å; E657-R681 PolarHBondContact N-O 2.82Å; E657-R681 IonicContact OE1-NE 3.69Å; E657-R681 WeakPolarHBondContact OE2-CB 3.23Å; E657-R681 WeakPolarHBondContact OE2-CD 3.28Å; E657-R681 IonicContact OE2-CZ 3.75Å; E657-R681 IonicContact OE2-NE 3.57Å; E657-R681 PolarHBondContact OE2-NE 2.84Å; E657-R681 IonicContact OE2-NH2 3.94Å; R681-T693 VanDerWaalsContact CD-CG2 3.49Å; R681-T693 HydrophobicContact CG-CG2 3.38Å; R681-K694 WeakPolarHBondContact CA-O 3.35Å
682	V	98.5	Very high	95.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.7	-172	-175.3	0	0	0	0	109.3	I637 I654 V656 T693 K694 C696 F709	I637-V682 HydrophobicContact CD1-CG1 4.19Å; I637-V682 HydrophobicContact CD1-CG2 3.88Å; I654-V682 HydrophobicContact CG2-CG1 3.44Å; I654-V682 VanDerWaalsContact CG2-CG1 3.44Å; V656-V682 HydrophobicContact CG2-CG2 4.34Å; V682-T693 CarbonylContact O-C 3.12Å; V682-T693 WeakPolarHBondContact O-CA 3.35Å; V682-K694 PolarHBondContact N-O 2.94Å; V682-K694 PolarHBondContact O-N 3.11Å; V682-C696 HydrophobicContact CG2-CB 3.97Å; V682-C696 VanDerWaalsContact CG2-SG 3.58Å; V682-F709 HydrophobicContact CB-CZ 4.09Å; V682-F709 HydrophobicContact CG1-CE2 4.16Å; V682-F709 HydrophobicContact CG1-CZ 3.89Å
683	T	98.3	Very high	95.7	Very high	25 Å²	25	48.2 Å²	48.2	15%	0.153	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.2	-178.4	-58.9	0	0	0	0	110.9	I654 S655 L691 T692 T693	I654-T683 WeakPolarHBondContact CA-O 3.42Å; S655-T683 PolarHBondContact N-O 2.76Å; S655-T683 PolarHBondContact O-N 2.83Å; T683-L691 HydrophobicContact CG2-CB 4.24Å; T683-L691 HydrophobicContact CG2-CD1 4.1Å; T683-T692 WeakPolarHBondContact CA-O 3.45Å; T683-T693 WeakPolarHBondContact CG2-OG1 3.25Å; T683-T693 WeakPolarHBondContact OG1-CB 3.41Å; T683-T693 VanDerWaalsContact OG1-CG2 3.29Å; T683-T693 WeakPolarHBondContact OG1-CG2 3.28Å; T683-T693 PolarHBondContact OG1-OG1 3.16Å
684	A	98.1	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.2	169	0	0	0	0	0	110.4	V641 I653 I654 L691 T692 F709	V641-A684 HydrophobicContact CG1-CB 4.41Å; V641-A684 HydrophobicContact CG2-CB 4.21Å; I653-A684 WeakPolarHBondContact O-CA 3.42Å; I654-A684 HydrophobicContact CD1-CB 3.64Å; A684-L691 WeakPolarHBondContact O-CA 3.3Å; A684-T692 PolarHBondContact N-O 2.92Å; A684-T692 PolarHBondContact O-N 3.4Å; A684-F709 HydrophobicContact CB-CB 3.9Å; A684-F709 HydrophobicContact CB-CD1 3.49Å; A684-F709 VanDerWaalsContact CB-CD1 3.49Å; A684-F709 HydrophobicContact CB-CD2 4.07Å; A684-F709 HydrophobicContact CB-CE1 3.99Å; A684-F709 HydrophobicContact CB-CG 3.55Å; A684-F709 HydrophobicContact CB-CZ 4.48Å
685	R	95.3	Very high	95.6	Very high	70 Å²	70	57.1 Å²	57.1	26%	0.264	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.7	176	63.9	-173.9	177.9	92.1	-5.9	110.7	A652 I653 D662 L691	A652-R685 CarbonylContact C-O 3.48Å; I653-R685 HydrophobicContact CB-CG 3.92Å; I653-R685 HydrophobicContact CG2-CG 4.47Å; I653-R685 PolarHBondContact N-O 2.75Å; I653-R685 PolarHBondContact O-N 2.84Å; D662-R685 IonicContact OD2-CZ 3.5Å; D662-R685 IonicContact OD2-NE 3.58Å; D662-R685 IonicContact OD2-NH2 3.54Å; D662-R685 PolarHBondContact OD2-NH2 3.21Å; R685-L691 HydrophobicContact CB-CB 4.11Å
686	A	94.9	Very high	95.6	Very high	17 Å²	17	57.3 Å²	57.3	14%	0.14	29%	0.29	C	S	.	.			trans	-137.4	152.9	174.6	0	0	0	0	0	110.4	I649 A652 G688 Y689 I711	I649-A686 HydrophobicContact CG2-CB 3.75Å; A652-A686 HydrophobicContact CB-CB 3.88Å; A686-G688 PolarHBondContact O-N 2.88Å; A686-Y689 HydrophobicContact CB-CD2 3.73Å; A686-Y689 HydrophobicContact CB-CG 4.3Å; A686-Y689 PolarHBondContact O-N 3.38Å; A686-Y689 VanDerWaalsContact O-N 3.09Å; A686-I711 HydrophobicContact CB-CD1 3.79Å
687	E	90.3	Very high	95.6	Very high	171 Å²	171	61 Å²	61	80%	0.799	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	134.4	179.8	-177.3	162.2	-163.5	0	0	111.2	Y689	E687-Y689 VanDerWaalsContact O-CD2 3.23Å; E687-Y689 WeakPolarHBondContact O-CD2 3.3Å; E687-Y689 PolarHBondContact O-N 2.96Å
688	G	88.7	Confident	95.6	Very high	13 Å²	13	60.1 Å²	60.1	13%	0.134	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-14.9	-175.1	0	0	0	0	0	115.2	A686 S714 F717	A686-G688 PolarHBondContact O-N 2.88Å; G688-S714 VanDerWaalsContact O-CB 3.3Å; G688-S714 WeakPolarHBondContact O-CB 3.36Å; G688-S714 PolarHBondContact O-N 2.74Å; G688-S714 PolarHBondContact O-OG 3.49Å; G688-F717 VanDerWaalsContact CA-CD2 3.48Å
689	Y	92.4	Very high	95.4	Very high	49 Å²	49	60.4 Å²	60.4	19%	0.192	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-95.7	166.3	179.1	-65.4	-91.5	0	0	0	113.3	D643 I649 A686 E687 I711 G712 R713	D643-Y689 HydrophobicContact CB-CE1 4.07Å; I649-Y689 HydrophobicContact CD1-CD1 3.93Å; I649-Y689 HydrophobicContact CD1-CD2 4.27Å; I649-Y689 HydrophobicContact CD1-CE1 3.65Å; I649-Y689 HydrophobicContact CD1-CE2 4Å; I649-Y689 HydrophobicContact CD1-CG 4.26Å; I649-Y689 HydrophobicContact CG1-CE2 4.48Å; I649-Y689 HydrophobicContact CG2-CD2 4.41Å; I649-Y689 HydrophobicContact CG2-CE2 4.06Å; A686-Y689 HydrophobicContact CB-CD2 3.73Å; A686-Y689 HydrophobicContact CB-CG 4.3Å; A686-Y689 PolarHBondContact O-N 3.38Å; A686-Y689 VanDerWaalsContact O-N 3.09Å; E687-Y689 VanDerWaalsContact O-CD2 3.23Å; E687-Y689 WeakPolarHBondContact O-CD2 3.3Å; E687-Y689 PolarHBondContact O-N 2.96Å; Y689-I711 HydrophobicContact CD1-CD1 4.32Å; Y689-I711 HydrophobicContact CD1-CG1 3.93Å; Y689-I711 HydrophobicContact CG-CD1 3.96Å; Y689-I711 HydrophobicContact CG-CG1 4.07Å; Y689-G712 CarbonylContact C-O 3.6Å; Y689-G712 WeakPolarHBondContact CA-O 3.43Å; Y689-R713 HydrophobicContact CD1-CG 4.25Å; Y689-R713 HydrophobicContact CE1-CG 3.86Å
690	S	90.4	Very high	95.1	Very high	51 Å²	51	64.1 Å²	64.1	36%	0.357	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-82.8	132.6	168.4	48.2	0	0	0	0	110	G712	S690-G712 PolarHBondContact N-O 2.02Å; S690-G712 PolarHBondContact OG-N 2.93Å; S690-G712 PolarHBondContact OG-O 2.75Å
691	L	93.9	Very high	94.6	Very high	117 Å²	117	66.3 Å²	66.3	61%	0.613	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-63.4	148.1	171.9	70.3	88.3	0	0	0	110.3	T683 A684 R685	T683-L691 HydrophobicContact CG2-CB 4.24Å; T683-L691 HydrophobicContact CG2-CD1 4.1Å; A684-L691 WeakPolarHBondContact O-CA 3.3Å; R685-L691 HydrophobicContact CB-CB 4.11Å
692	T	96.4	Very high	93.7	Very high	41 Å²	41	65.4 Å²	65.4	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	132.2	175.9	-67.5	0	0	0	0	109.9	T683 A684 F709	T683-T692 WeakPolarHBondContact CA-O 3.45Å; A684-T692 PolarHBondContact N-O 2.92Å; A684-T692 PolarHBondContact O-N 3.4Å; T692-F709 HydrophobicContact CG2-CD1 4.27Å; T692-F709 WeakPolarHBondContact O-CE1 3.01Å
693	T	97.6	Very high	93.2	Very high	64 Å²	64	67.4 Å²	67.4	39%	0.393	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	134.2	-175.9	-55.8	0	0	0	0	110	R681 V682 T683	R681-T693 VanDerWaalsContact CD-CG2 3.49Å; R681-T693 HydrophobicContact CG-CG2 3.38Å; V682-T693 CarbonylContact O-C 3.12Å; V682-T693 WeakPolarHBondContact O-CA 3.35Å; T683-T693 WeakPolarHBondContact CG2-OG1 3.25Å; T683-T693 WeakPolarHBondContact OG1-CB 3.41Å; T683-T693 VanDerWaalsContact OG1-CG2 3.29Å; T683-T693 WeakPolarHBondContact OG1-CG2 3.28Å; T683-T693 PolarHBondContact OG1-OG1 3.16Å
694	K	96.7	Very high	93	Very high	90 Å²	90	66.9 Å²	66.9	39%	0.391	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	165.4	176.8	-69.9	-173.4	172.7	-170.7	0	110.5	R681 V682 D708 F709	R681-K694 WeakPolarHBondContact CA-O 3.35Å; V682-K694 PolarHBondContact N-O 2.94Å; V682-K694 PolarHBondContact O-N 3.11Å; K694-D708 PolarHBondContact NZ-O 3.05Å; K694-F709 HydrophobicContact CB-CE1 3.92Å; K694-F709 HydrophobicContact CB-CZ 4.03Å; K694-F709 HydrophobicContact CD-CD1 4.14Å; K694-F709 HydrophobicContact CD-CE1 3.96Å; K694-F709 HydrophobicContact CD-CZ 4.3Å; K694-F709 HydrophobicContact CG-CD1 4.26Å; K694-F709 HydrophobicContact CG-CE1 3.75Å; K694-F709 HydrophobicContact CG-CZ 4.28Å
695	K	97.6	Very high	92.9	Very high	102 Å²	102	69.6 Å²	69.6	44%	0.443	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.5	158	-170.3	-167.4	-178.4	-160.5	0	106.9	E679 Y680 E697	E679-K695 WeakPolarHBondContact OE1-CE 3.36Å; E679-K695 IonicContact OE1-NZ 2.65Å; E679-K695 PolarHBondContact OE1-NZ 2.99Å; E679-K695 WeakPolarHBondContact OE2-CE 3.16Å; E679-K695 IonicContact OE2-NZ 2.76Å; E679-K695 PolarHBondContact OE2-NZ 2.69Å; Y680-K695 CarbonylContact O-C 3.54Å; Y680-K695 WeakPolarHBondContact O-CA 3.38Å; K695-E697 HydrophobicContact CD-CG 4.4Å; K695-E697 WeakPolarHBondContact CD-OE1 3.38Å; K695-E697 WeakPolarHBondContact CE-OE1 3.47Å; K695-E697 IonicContact NZ-OE1 3.36Å; K695-E697 PolarHBondContact NZ-OE1 3.32Å
696	C	97.2	Very high	92.9	Very high	4 Å²	4	74.5 Å²	74.5	3%	0.027	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.4	166	-49.6	0	0	0	0	107.2	I637 Y680 V682 C707	I637-C696 HydrophobicContact CD1-CB 4.25Å; I637-C696 HydrophobicContact CG2-CB 4.05Å; Y680-C696 PolarHBondContact N-O 3.1Å; Y680-C696 PolarHBondContact O-N 3.42Å; Y680-C696 VanDerWaalsContact O-O 3.11Å; V682-C696 HydrophobicContact CG2-CB 3.97Å; V682-C696 VanDerWaalsContact CG2-SG 3.58Å; C696-C707 HydrophobicContact CB-CB 3.81Å; C696-C707 WeakPolarHBondContact CB-SG 3.47Å; C696-C707 WeakPolarHBondContact SG-CB 3.28Å; C696-C707 CovalentContact SG-SG 2.04Å; C696-C707 PolarHBondContact SG-SG 3.31Å
697	E	95.7	Very high	93	Very high	104 Å²	104	74.3 Å²	74.3	49%	0.486	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.4	-179.9	-67.6	168.2	-162.5	0	0	108	E679 K695 T705	E679-E697 HydrophobicContact CG-CG 4.38Å; K695-E697 HydrophobicContact CD-CG 4.4Å; K695-E697 WeakPolarHBondContact CD-OE1 3.38Å; K695-E697 WeakPolarHBondContact CE-OE1 3.47Å; K695-E697 IonicContact NZ-OE1 3.36Å; K695-E697 PolarHBondContact NZ-OE1 3.32Å; E697-T705 VanDerWaalsContact O-CB 3.23Å; E697-T705 WeakPolarHBondContact O-CB 3.46Å; E697-T705 WeakPolarHBondContact O-CG2 3.47Å
698	V	96.4	Very high	93.4	Very high	12 Å²	12	68.3 Å²	68.3	7%	0.073	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118.5	-179.6	-178.7	0	0	0	0	108.2	I637 L675 N676 P677 G678 Y680	I637-V698 HydrophobicContact CG2-CG2 3.72Å; L675-V698 HydrophobicContact CB-CG2 4.1Å; L675-V698 HydrophobicContact CD1-CG2 4.2Å; N676-V698 WeakPolarHBondContact O-CB 3.23Å; N676-V698 WeakPolarHBondContact O-CG1 3.45Å; P677-V698 WeakPolarHBondContact CA-O 3.34Å; G678-V698 PolarHBondContact N-O 2.97Å; G678-V698 VanDerWaalsContact N-O 3.08Å; G678-V698 PolarHBondContact O-N 3.41Å; Y680-V698 HydrophobicContact CD2-CG2 3.87Å; Y680-V698 HydrophobicContact CE2-CB 4.36Å; Y680-V698 HydrophobicContact CE2-CG2 3.93Å
699	G	92.7	Very high	93.8	Very high	37 Å²	37	67.7 Å²	67.7	38%	0.381	36%	0.36	S	S	.	.			trans	-74.6	170.3	178.7	0	0	0	0	0	113.9	P677	P677-G699 WeakPolarHBondContact CG-O 3.42Å
700	Y	89.8	Confident	94	Very high	214 Å²	214	69.1 Å²	69.1	84%	0.839	37%	0.374	S	S	*	.	S	Bend	trans	-81.8	-18.3	172.2	-73.4	-85.4	0	0	0	113.8	P677	P677-Y700 HydrophobicContact CB-CD1 3.8Å; P677-Y700 HydrophobicContact CB-CD2 4.26Å; P677-Y700 HydrophobicContact CB-CE1 3.79Å; P677-Y700 HydrophobicContact CB-CE2 4.25Å; P677-Y700 HydrophobicContact CB-CG 4.04Å; P677-Y700 HydrophobicContact CG-CD1 3.7Å; P677-Y700 HydrophobicContact CG-CE1 4Å; P677-Y700 HydrophobicContact CG-CG 4.18Å
701	A	87.2	Confident	94.3	Very high	80 Å²	80	66.7 Å²	66.7	66%	0.661	36%	0.357	S	S	*	.	S	Bend	trans	-75.4	157.3	176.3	0	0	0	0	0	111.5
702	I	80.4	Confident	94.1	Very high	113 Å²	113	61.8 Å²	61.8	58%	0.579	34%	0.335	S	S	*	.	S	Bend	trans	-68.5	140.9	166.6	-58.8	173.9	0	0	0	108.1	H634	H634-I702 HydrophobicContact CB-CG2 4.15Å
703	G	87.9	Confident	93.6	Very high	42 Å²	42	65.3 Å²	65.3	43%	0.433	34%	0.343	S	S	.	.	S	Bend	trans	122.7	106.7	-173.7	0	0	0	0	0	111.6	H634 T705	H634-G703 CarbonylContact O-C 3.42Å; H634-G703 VanDerWaalsContact O-CA 3.3Å; H634-G703 WeakPolarHBondContact O-CA 3.15Å; H634-G703 PolarHBondContact O-N 2.65Å; G703-T705 PolarHBondContact O-N 3.01Å
704	A	93.1	Very high	93	Very high	14 Å²	14	63.7 Å²	63.7	12%	0.116	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-66.1	124.3	-176.1	0	0	0	0	0	111	H634 K638 R706	H634-A704 PolarHBondContact O-N 2.9Å; K638-A704 HydrophobicContact CB-CB 4.06Å; K638-A704 HydrophobicContact CD-CB 4.09Å; K638-A704 HydrophobicContact CG-CB 3.84Å; A704-R706 PolarHBondContact O-N 2.94Å
705	T	96.3	Very high	92	Very high	56 Å²	56	65.2 Å²	65.2	34%	0.344	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	130.6	-170.9	-60.3	0	0	0	0	111.4	G636 I637 K638 E697 G703 C707	G636-T705 PolarHBondContact O-N 2.76Å; I637-T705 WeakPolarHBondContact CA-O 3.38Å; I637-T705 WeakPolarHBondContact CB-O 3.27Å; K638-T705 PolarHBondContact N-O 3.4Å; K638-T705 VanDerWaalsContact N-O 3.12Å; E697-T705 VanDerWaalsContact O-CB 3.23Å; E697-T705 WeakPolarHBondContact O-CB 3.46Å; E697-T705 WeakPolarHBondContact O-CG2 3.47Å; G703-T705 PolarHBondContact O-N 3.01Å; T705-C707 PolarHBondContact O-N 3Å
706	R	96.3	Very high	90.7	Very high	174 Å²	174	66 Å²	66	66%	0.657	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.4	-170.6	-172.3	171.1	173.4	153.2	-1.1	112.8	K638 A704 D708	K638-R706 CarbonylContact O-C 3.45Å; K638-R706 VanDerWaalsContact O-CA 3.23Å; K638-R706 WeakPolarHBondContact O-CA 3.38Å; A704-R706 PolarHBondContact O-N 2.94Å; R706-D708 IonicContact CZ-OD2 3.88Å; R706-D708 VanDerWaalsContact CZ-OD2 3.25Å; R706-D708 IonicContact NE-OD1 3.25Å; R706-D708 PolarHBondContact NE-OD1 3.47Å; R706-D708 IonicContact NE-OD2 3.58Å; R706-D708 PolarHBondContact NE-OD2 2.68Å; R706-D708 IonicContact NH2-OD1 2.85Å; R706-D708 IonicContact NH2-OD2 3.8Å; R706-D708 PolarHBondContact NH2-OD2 2.84Å
707	C	97.1	Very high	89.2	Confident	13 Å²	13	69.4 Å²	69.4	9%	0.088	37%	0.37	C	S	.	.			trans	-130.1	69.1	-179.7	-151.6	0	0	0	0	113	K638 Y671 C696 T705 F709	K638-C707 PolarHBondContact O-N 2.88Å; Y671-C707 PolarHBondContact OH-O 2.93Å; C696-C707 HydrophobicContact CB-CB 3.81Å; C696-C707 WeakPolarHBondContact CB-SG 3.47Å; C696-C707 WeakPolarHBondContact SG-CB 3.28Å; C696-C707 CovalentContact SG-SG 2.04Å; C696-C707 PolarHBondContact SG-SG 3.31Å; T705-C707 PolarHBondContact O-N 3Å; C707-F709 WeakPolarHBondContact O-CD2 3.24Å; C707-F709 VanDerWaalsContact O-CE2 3.29Å; C707-F709 WeakPolarHBondContact O-CE2 3.4Å
708	D	97.7	Very high	87.8	Confident	45 Å²	45	71.6 Å²	71.6	24%	0.241	37%	0.374	C	S	.	.			trans	-65	148.3	-179.4	-66.8	-20.4	0	0	0	113.2	G639 V640 K694 R706	G639-D708 VanDerWaalsContact CA-OD1 3.27Å; G639-D708 WeakPolarHBondContact CA-OD1 3.35Å; V640-D708 PolarHBondContact N-OD1 3.28Å; V640-D708 WeakPolarHBondContact O-CA 3.35Å; K694-D708 PolarHBondContact NZ-O 3.05Å; R706-D708 IonicContact CZ-OD2 3.88Å; R706-D708 VanDerWaalsContact CZ-OD2 3.25Å; R706-D708 IonicContact NE-OD1 3.25Å; R706-D708 PolarHBondContact NE-OD1 3.47Å; R706-D708 IonicContact NE-OD2 3.58Å; R706-D708 PolarHBondContact NE-OD2 2.68Å; R706-D708 IonicContact NH2-OD1 2.85Å; R706-D708 IonicContact NH2-OD2 3.8Å; R706-D708 PolarHBondContact NH2-OD2 2.84Å
709	F	97.9	Very high	86.3	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	151.4	175.8	-73.2	-97.9	0	0	0	112	V640 V641 R642 Y671 V682 A684 T692 K694 C707	V640-F709 PolarHBondContact O-N 3.03Å; V641-F709 HydrophobicContact CB-CB 4.49Å; V641-F709 HydrophobicContact CG1-CB 4.31Å; V641-F709 HydrophobicContact CG2-CB 4.22Å; R642-F709 PolarHBondContact N-O 2.75Å; Y671-F709 HydrophobicContact CE1-CD2 4.38Å; V682-F709 HydrophobicContact CB-CZ 4.09Å; V682-F709 HydrophobicContact CG1-CE2 4.16Å; V682-F709 HydrophobicContact CG1-CZ 3.89Å; A684-F709 HydrophobicContact CB-CB 3.9Å; A684-F709 HydrophobicContact CB-CD1 3.49Å; A684-F709 VanDerWaalsContact CB-CD1 3.49Å; A684-F709 HydrophobicContact CB-CD2 4.07Å; A684-F709 HydrophobicContact CB-CE1 3.99Å; A684-F709 HydrophobicContact CB-CG 3.55Å; A684-F709 HydrophobicContact CB-CZ 4.48Å; T692-F709 HydrophobicContact CG2-CD1 4.27Å; T692-F709 WeakPolarHBondContact O-CE1 3.01Å; K694-F709 HydrophobicContact CB-CE1 3.92Å; K694-F709 HydrophobicContact CB-CZ 4.03Å; K694-F709 HydrophobicContact CD-CD1 4.14Å; K694-F709 HydrophobicContact CD-CE1 3.96Å; K694-F709 HydrophobicContact CD-CZ 4.3Å; K694-F709 HydrophobicContact CG-CD1 4.26Å; K694-F709 HydrophobicContact CG-CE1 3.75Å; K694-F709 HydrophobicContact CG-CZ 4.28Å; C707-F709 WeakPolarHBondContact O-CD2 3.24Å; C707-F709 VanDerWaalsContact O-CE2 3.29Å; C707-F709 WeakPolarHBondContact O-CE2 3.4Å
710	T	96.7	Very high	85.1	Confident	78 Å²	78	80.3 Å²	80.3	48%	0.479	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	119.3	172.6	-47.5	0	0	0	0	108.4	R642 L644	R642-T710 CarbonylContact O-C 3.48Å; R642-T710 VanDerWaalsContact O-CA 3.29Å; R642-T710 WeakPolarHBondContact O-CA 3.04Å; L644-T710 HydrophobicContact CD2-CG2 4.21Å
711	I	95	Very high	84.1	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134	-170.8	61	178.6	0	0	0	111.9	V641 R642 I649 A686 Y689	V641-I711 HydrophobicContact CG1-CD1 3.69Å; V641-I711 HydrophobicContact CG1-CG1 4.05Å; R642-I711 PolarHBondContact O-N 2.89Å; I649-I711 HydrophobicContact CD1-CD1 3.7Å; I649-I711 HydrophobicContact CD1-CG1 3.43Å; I649-I711 VanDerWaalsContact CD1-CG1 3.43Å; A686-I711 HydrophobicContact CB-CD1 3.79Å; Y689-I711 HydrophobicContact CD1-CD1 4.32Å; Y689-I711 HydrophobicContact CD1-CG1 3.93Å; Y689-I711 HydrophobicContact CG-CD1 3.96Å; Y689-I711 HydrophobicContact CG-CG1 4.07Å
712	G	90.9	Very high	83.1	Confident	14 Å²	14	73.9 Å²	73.9	14%	0.144	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-87	148.4	179.5	0	0	0	0	0	112.4	Y689 S690 S714	Y689-G712 CarbonylContact C-O 3.6Å; Y689-G712 WeakPolarHBondContact CA-O 3.43Å; S690-G712 PolarHBondContact N-O 2.02Å; S690-G712 PolarHBondContact OG-N 2.93Å; S690-G712 PolarHBondContact OG-O 2.75Å; G712-S714 PolarHBondContact O-N 2.71Å
713	R	86.4	Confident	82.4	Confident	116 Å²	116	70.6 Å²	70.6	44%	0.438	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-56.7	133.1	169	-78.7	-169.5	174.3	-158.7	-0.4	110.1	Y689 E721	Y689-R713 HydrophobicContact CD1-CG 4.25Å; Y689-R713 HydrophobicContact CE1-CG 3.86Å; R713-E721 IonicContact CZ-OE1 2.77Å; R713-E721 IonicContact NH1-OE1 3.42Å; R713-E721 PolarHBondContact NH1-OE1 3.45Å; R713-E721 IonicContact NH1-OE2 3.04Å; R713-E721 PolarHBondContact NH1-OE2 3.4Å
714	S	83.9	Confident	81.7	Confident	29 Å²	29	75.6 Å²	75.6	20%	0.203	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-69.6	140.5	179	71	0	0	0	0	111.4	G688 G712 L716 F717 R718	G688-S714 VanDerWaalsContact O-CB 3.3Å; G688-S714 WeakPolarHBondContact O-CB 3.36Å; G688-S714 PolarHBondContact O-N 2.74Å; G688-S714 PolarHBondContact O-OG 3.49Å; G712-S714 PolarHBondContact O-N 2.71Å; S714-L716 PolarHBondContact O-N 2.96Å; S714-F717 PolarHBondContact O-N 2.7Å; S714-F717 VanDerWaalsContact OG-CB 3.22Å; S714-F717 WeakPolarHBondContact OG-CB 3.47Å; S714-F717 PolarHBondContact OG-N 2.8Å; S714-R718 WeakPolarHBondContact O-CB 3.49Å; S714-R718 PolarHBondContact O-N 3.32Å
715	N	76.1	Confident	80.8	Confident	123 Å²	123	83 Å²	83	66%	0.658	39%	0.39	S	S	*	.	H	α-helix	trans	-59	-33.3	176.3	-71.3	-30.9	0	0	0	112.1	R718 I719	N715-R718 PolarHBondContact O-N 3.09Å; N715-I719 WeakPolarHBondContact O-CB 3.2Å; N715-I719 WeakPolarHBondContact O-CD1 3.39Å; N715-I719 WeakPolarHBondContact O-CG1 3.49Å; N715-I719 PolarHBondContact O-N 2.71Å
716	L	70.5	Confident	79.8	Confident	118 Å²	118	87.5 Å²	87.5	62%	0.618	40%	0.402	S	S	*	.	H	α-helix	trans	-72.5	-39.2	-177.1	-148.3	158.7	0	0	0	111.7	S714 I719 R720	S714-L716 PolarHBondContact O-N 2.96Å; L716-I719 PolarHBondContact O-N 2.6Å; L716-R720 PolarHBondContact O-N 2.81Å
717	F	66.3	Low	78.1	Confident	75 Å²	75	86.7 Å²	86.7	33%	0.329	41%	0.41	S	S	.	.	H	α-helix	trans	-69.5	-42	171.7	-166.1	-84.8	0	0	0	111.6	G688 S714 I719 R720 E721	G688-F717 VanDerWaalsContact CA-CD2 3.48Å; S714-F717 PolarHBondContact O-N 2.7Å; S714-F717 VanDerWaalsContact OG-CB 3.22Å; S714-F717 WeakPolarHBondContact OG-CB 3.47Å; S714-F717 PolarHBondContact OG-N 2.8Å; F717-I719 PolarHBondContact O-N 3.01Å; F717-R720 WeakPolarHBondContact O-CA 3.44Å; F717-R720 WeakPolarHBondContact O-CB 3.34Å; F717-R720 PolarHBondContact O-N 2.77Å; F717-E721 WeakPolarHBondContact O-CB 3.27Å; F717-E721 PolarHBondContact O-N 2.97Å
718	R	64.7	Low	76.4	Confident	151 Å²	151	93 Å²	93	57%	0.57	44%	0.437	S	S	*	.	H	α-helix	trans	-58	-34.3	174.1	-168	177	-174	170.9	2.9	112.3	S714 N715 I722	S714-R718 WeakPolarHBondContact O-CB 3.49Å; S714-R718 PolarHBondContact O-N 3.32Å; N715-R718 PolarHBondContact O-N 3.09Å; R718-I722 HydrophobicContact CG-CD1 4.28Å; R718-I722 WeakPolarHBondContact O-CB 3.27Å; R718-I722 WeakPolarHBondContact O-CD1 3.49Å; R718-I722 WeakPolarHBondContact O-CG1 3.23Å; R718-I722 PolarHBondContact O-N 2.71Å; R718-I722 VanDerWaalsContact O-N 3.13Å
719	I	64.9	Low	74.3	Confident	95 Å²	95	99.4 Å²	99.4	49%	0.487	47%	0.465	S	S	.	.	H	α-helix	trans	-68.4	-41.9	172.5	-72.7	162.4	0	0	0	111.4	N715 L716 F717 I722 M723	N715-I719 WeakPolarHBondContact O-CB 3.2Å; N715-I719 WeakPolarHBondContact O-CD1 3.39Å; N715-I719 WeakPolarHBondContact O-CG1 3.49Å; N715-I719 PolarHBondContact O-N 2.71Å; L716-I719 PolarHBondContact O-N 2.6Å; F717-I719 PolarHBondContact O-N 3.01Å; I719-I722 PolarHBondContact O-N 3.19Å; I719-M723 HydrophobicContact CG2-CG 4.38Å; I719-M723 HydrophobicContact CG2-SD 3.95Å; I719-M723 WeakPolarHBondContact O-CB 3.43Å; I719-M723 VanDerWaalsContact O-CG 3.27Å; I719-M723 WeakPolarHBondContact O-CG 3.41Å; I719-M723 PolarHBondContact O-N 2.72Å
720	R	69	Low	72	Confident	137 Å²	137	104.6 Å²	104.6	52%	0.517	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-49.5	174.2	-69.2	-174.4	-173.1	171.8	2.1	112.2	L716 F717 I722 M723 E724	L716-R720 PolarHBondContact O-N 2.81Å; F717-R720 WeakPolarHBondContact O-CA 3.44Å; F717-R720 WeakPolarHBondContact O-CB 3.34Å; F717-R720 PolarHBondContact O-N 2.77Å; R720-I722 PolarHBondContact O-N 3.25Å; R720-M723 WeakPolarHBondContact O-CA 3.23Å; R720-M723 PolarHBondContact O-N 3.14Å; R720-E724 PolarHBondContact O-N 3.02Å
721	E	68.9	Low	69.9	Low	73 Å²	73	107.5 Å²	107.5	34%	0.341	51%	0.51	S	S	.	.	H	α-helix	trans	-54.3	-38.9	177.1	-175.7	178.6	-154.5	0	0	111.4	R713 F717 K725	R713-E721 IonicContact CZ-OE1 2.77Å; R713-E721 IonicContact NH1-OE1 3.42Å; R713-E721 PolarHBondContact NH1-OE1 3.45Å; R713-E721 IonicContact NH1-OE2 3.04Å; R713-E721 PolarHBondContact NH1-OE2 3.4Å; F717-E721 WeakPolarHBondContact O-CB 3.27Å; F717-E721 PolarHBondContact O-N 2.97Å; E721-K725 WeakPolarHBondContact O-CB 3.32Å; E721-K725 PolarHBondContact O-N 2.7Å; E721-K725 VanDerWaalsContact O-N 3.12Å
722	I	66.2	Low	67.3	Low	85 Å²	85	118.9 Å²	118.9	44%	0.436	55%	0.553	S	S	.	*	H	α-helix	trans	-70.9	-44	172.4	-72.3	169.4	0	0	0	111.8	R718 I719 R720 K725 Y726	R718-I722 HydrophobicContact CG-CD1 4.28Å; R718-I722 WeakPolarHBondContact O-CB 3.27Å; R718-I722 WeakPolarHBondContact O-CD1 3.49Å; R718-I722 WeakPolarHBondContact O-CG1 3.23Å; R718-I722 PolarHBondContact O-N 2.71Å; R718-I722 VanDerWaalsContact O-N 3.13Å; I719-I722 PolarHBondContact O-N 3.19Å; R720-I722 PolarHBondContact O-N 3.25Å; I722-K725 PolarHBondContact O-N 3.19Å; I722-Y726 HydrophobicContact CG2-CD2 3.83Å; I722-Y726 HydrophobicContact CG2-CE2 4.17Å; I722-Y726 VanDerWaalsContact O-CD2 3.23Å; I722-Y726 WeakPolarHBondContact O-CD2 3.22Å; I722-Y726 PolarHBondContact O-N 3.21Å
723	M	64.3	Low	64.9	Low	45 Å²	45	125.5 Å²	125.5	22%	0.222	58%	0.584	C	S	.	*	H	α-helix	trans	-64.5	-41.4	-179.3	-75.7	-178.3	117.5	0	0	112.6	I719 R720 N727 K728 Q729 I731	I719-M723 HydrophobicContact CG2-CG 4.38Å; I719-M723 HydrophobicContact CG2-SD 3.95Å; I719-M723 WeakPolarHBondContact O-CB 3.43Å; I719-M723 VanDerWaalsContact O-CG 3.27Å; I719-M723 WeakPolarHBondContact O-CG 3.41Å; I719-M723 PolarHBondContact O-N 2.72Å; R720-M723 WeakPolarHBondContact O-CA 3.23Å; R720-M723 PolarHBondContact O-N 3.14Å; M723-N727 PolarHBondContact O-N 2.69Å; M723-K728 PolarHBondContact O-N 3.2Å; M723-Q729 WeakPolarHBondContact CE-O 3.25Å; M723-I731 HydrophobicContact CE-CG1 4.15Å
724	E	72.9	Confident	62.6	Low	146 Å²	146	125.6 Å²	125.6	68%	0.682	60%	0.599	S	S	*	*	H	α-helix	trans	-65.8	-50.3	173.8	-70.7	167.9	178.3	0	0	110.7	R720 Y726 N727	R720-E724 PolarHBondContact O-N 3.02Å; E724-Y726 PolarHBondContact O-N 2.89Å; E724-N727 PolarHBondContact O-N 2.84Å
725	K	74.7	Confident	60.5	Low	170 Å²	170	128.8 Å²	128.8	74%	0.739	63%	0.628	S	S	*	*	H	α-helix	trans	-61.7	-27	-179.9	-174.8	168	-176.4	169.9	0	114.4	E721 I722	E721-K725 WeakPolarHBondContact O-CB 3.32Å; E721-K725 PolarHBondContact O-N 2.7Å; E721-K725 VanDerWaalsContact O-N 3.12Å; I722-K725 PolarHBondContact O-N 3.19Å
726	Y	74.9	Confident	58.7	Low	151 Å²	151	134.4 Å²	134.4	59%	0.592	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	10.6	174.4	-66.5	-68.9	0	0	0	113.9	I722 E724 K728	I722-Y726 HydrophobicContact CG2-CD2 3.83Å; I722-Y726 HydrophobicContact CG2-CE2 4.17Å; I722-Y726 VanDerWaalsContact O-CD2 3.23Å; I722-Y726 WeakPolarHBondContact O-CD2 3.22Å; I722-Y726 PolarHBondContact O-N 3.21Å; E724-Y726 PolarHBondContact O-N 2.89Å; Y726-K728 VanDerWaalsContact C-N 3.33Å; Y726-K728 WeakPolarHBondContact O-CG 3.45Å; Y726-K728 PolarHBondContact O-N 2.88Å
727	N	62.1	Low	57.2	Low	156 Å²	156	137 Å²	137	83%	0.834	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.8	40.1	174.4	-141.1	2.6	0	0	0	114.4	M723 E724	M723-N727 PolarHBondContact O-N 2.69Å; E724-N727 PolarHBondContact O-N 2.84Å
728	K	60.6	Low	55.8	Low	147 Å²	147	141.8 Å²	141.8	64%	0.639	68%	0.677	S	S	*	*			trans	-106.7	124.3	-177.6	-66.9	-175.8	-178.4	179.1	0	111.4	M723 Y726	M723-K728 PolarHBondContact O-N 3.2Å; Y726-K728 VanDerWaalsContact C-N 3.33Å; Y726-K728 WeakPolarHBondContact O-CG 3.45Å; Y726-K728 PolarHBondContact O-N 2.88Å
729	Q	54.6	Low	54.5	Low	179 Å²	179	143 Å²	143	84%	0.836	69%	0.689	S	S	*	*			trans	-63.6	154.4	176.8	-72.6	-166.3	-3.7	0	0	112.9	M723 I731	M723-Q729 WeakPolarHBondContact CE-O 3.25Å; Q729-I731 PolarHBondContact O-N 2.99Å
730	P	47.8	Very low	53.2	Low	109 Å²	109	143 Å²	143	71%	0.708	70%	0.704	S	S	*	*			trans	-61.6	130.7	-177.4	-23.4	34.3	0	0	0	113.3	R732	P730-R732 PolarHBondContact O-N 2.88Å; P730-R732 VanDerWaalsContact O-N 3.17Å
731	I	53.1	Low	51.8	Low	138 Å²	138	145.6 Å²	145.6	71%	0.708	72%	0.722	S	S	*	*			trans	-68.7	112.6	168.3	-60.9	173	0	0	0	107.5	M723 Q729 L733	M723-I731 HydrophobicContact CE-CG1 4.15Å; Q729-I731 PolarHBondContact O-N 2.99Å; I731-L733 PolarHBondContact O-N 3.16Å
732	R	40.6	Very low	50.2	Low	239 Å²	239	153.1 Å²	153.1	90%	0.902	75%	0.747	S	S	*	*			trans	-65.5	98.5	171	-75.5	-174.3	174.5	-173.3	-1	109.4	P730	P730-R732 PolarHBondContact O-N 2.88Å; P730-R732 VanDerWaalsContact O-N 3.17Å
733	L	41.6	Very low	48.8	Very low	153 Å²	153	155.1 Å²	155.1	80%	0.801	77%	0.765	S	S	*	*			trans	-60.1	129.8	167.2	-71.4	171	0	0	0	109.1	I731 A735	I731-L733 PolarHBondContact O-N 3.16Å; L733-A735 PolarHBondContact O-N 2.78Å
734	P	38.1	Very low	47.4	Very low	118 Å²	118	164.7 Å²	164.7	77%	0.766	80%	0.799	S	S	*	*			trans	-59.3	132.5	176.7	-24.7	34.5	0	0	0	111.2	R736	P734-R736 PolarHBondContact O-N 2.83Å
735	A	38.6	Very low	45.7	Very low	97 Å²	97	166.3 Å²	166.3	80%	0.802	81%	0.807	S	S	*	*			trans	-62.4	109.1	174.3	0	0	0	0	0	109.3	L733 Q737	L733-A735 PolarHBondContact O-N 2.78Å; A735-Q737 PolarHBondContact O-N 3.14Å
736	R	38.7	Very low	43.9	Very low	240 Å²	240	169.6 Å²	169.6	91%	0.906	81%	0.814	S	S	*	*			trans	-68.4	100.8	-179.2	-163.4	178.9	-166.6	-177.1	4.3	108.5	P734 L738	P734-R736 PolarHBondContact O-N 2.83Å; R736-L738 PolarHBondContact O-N 3.16Å
737	Q	37.8	Very low	42.2	Very low	174 Å²	174	173.9 Å²	173.9	81%	0.813	83%	0.829	S	S	*	*			trans	-55.1	115.4	178	-75.2	-178	-21.3	0	0	109.9	A735 Q739	A735-Q737 PolarHBondContact O-N 3.14Å; Q737-Q739 PolarHBondContact O-N 3.48Å
738	L	38.2	Very low	41.1	Very low	175 Å²	175	172.8 Å²	172.8	92%	0.916	83%	0.828	S	S	*	*			trans	-68.8	96.5	166.8	-79.9	163.1	0	0	0	107.7	R736 A740	R736-L738 PolarHBondContact O-N 3.16Å; L738-A740 PolarHBondContact O-N 2.65Å; L738-A740 VanDerWaalsContact O-N 3.16Å
739	Q	37.5	Very low	40.2	Very low	176 Å²	176	168.7 Å²	168.7	82%	0.822	83%	0.827	S	S	*	*			trans	-60.8	117.3	170.2	-74.3	-175.5	-22.4	0	0	108.7	Q737 Q741	Q737-Q739 PolarHBondContact O-N 3.48Å; Q739-Q741 PolarHBondContact O-N 2.75Å; Q739-Q741 VanDerWaalsContact O-N 3.14Å
740	A	37.5	Very low	39.3	Very low	96 Å²	96	170.4 Å²	170.4	79%	0.793	85%	0.851	S	S	*	*			trans	-62.2	115.8	176.9	0	0	0	0	0	109.8	L738 R742	L738-A740 PolarHBondContact O-N 2.65Å; L738-A740 VanDerWaalsContact O-N 3.16Å; A740-R742 PolarHBondContact O-N 2.99Å
741	Q	40.2	Very low	38.9	Very low	191 Å²	191	173.5 Å²	173.5	89%	0.893	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-65.5	118.3	169.9	-71.1	-174	-11.4	0	0	108.5	Q739	Q739-Q741 PolarHBondContact O-N 2.75Å; Q739-Q741 VanDerWaalsContact O-N 3.14Å
742	R	34.8	Very low	38.2	Very low	231 Å²	231	175.4 Å²	175.4	87%	0.872	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-65.5	139	173.3	-68.5	-177.4	176.4	-174.7	-1.8	109.6	A740 R744	A740-R742 PolarHBondContact O-N 2.99Å; R742-R744 PolarHBondContact O-N 3.43Å
743	P	36.4	Very low	38	Very low	127 Å²	127	171.8 Å²	171.8	83%	0.825	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-58	137.2	169.3	-21.5	32.9	0	0	0	110.6
744	R	34.8	Very low	37.8	Very low	245 Å²	245	172.9 Å²	172.9	93%	0.925	87%	0.867	S	S	*	*			trans	-86	112.2	168.2	-114.5	-179.8	171.3	175.5	-3.9	108.2	R742 R746	R742-R744 PolarHBondContact O-N 3.43Å; R744-R746 PolarHBondContact O-N 3.04Å
745	E	36.4	Very low	37.8	Very low	181 Å²	181	176.4 Å²	176.4	85%	0.846	87%	0.874	S	S	*	*			trans	-58.6	123.3	170	-64.4	179.6	144.5	0	0	109.9	R747	E745-R747 PolarHBondContact O-N 3.09Å
746	R	38.7	Very low	37.7	Very low	239 Å²	239	181.7 Å²	181.7	90%	0.902	88%	0.879	S	S	*	*			trans	-84	103.4	163.6	-83.9	-175.3	168.6	-178.3	-3.4	108.1	R744 V748	R744-R746 PolarHBondContact O-N 3.04Å; R746-V748 PolarHBondContact O-N 3.11Å
747	R	38.8	Very low	37.7	Very low	240 Å²	240	177.5 Å²	177.5	91%	0.906	88%	0.877	S	S	*	*			trans	-63.3	119.4	158.1	-73.2	-177	176.1	-178.3	-2.8	108.2	E745	E745-R747 PolarHBondContact O-N 3.09Å
748	V	37.7	Very low	37.7	Very low	133 Å²	133	177.8 Å²	177.8	81%	0.806	88%	0.881	S	S	*	*			trans	-108.9	131.2	155.9	-179.3	0	0	0	0	105.7	R746	R746-V748 PolarHBondContact O-N 3.11Å
749	G	41.5	Very low	37.6	Very low	61 Å²	61	178 Å²	178	63%	0.629	88%	0.879	S	S	*	*			trans	-137.2	140.8	172.2	0	0	0	0	0	107.8
750	T	37.3	Very low	37.6	Very low	216 Å²	216	178.2 Å²	178.2	100%	1.325	88%	0.884	S	S	*	*			trans	53.4	0	-169.1	63.8	0	0	0	0	114

Retrieved 750 of 750 residues in 1259.6 ms (Link to these results)

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