A0A087YPG4_POEFO Loading...

Proline dehydrogenase

Converts proline to delta-1-pyrroline-5-carboxylate.

AlphaFold DB , UniProt , Accession A0A087YPG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 625 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	33	Very low	237 Å²	237	113.3 Å²	113.3	100%	1.167	62%	0.619	S	S	*	*				0	149.7	0	-77.8	-176.8	179.7	0	0	108.3
2	S	29.5	Very low	33	Very low	81 Å²	81	122.9 Å²	122.9	57%	0.566	64%	0.64	S	S	*	*			trans	-68.5	139.7	-174.5	-174.2	0	0	0	0	113.6	T4 K5	S2-T4 PolarHBondContact O-N 2.94Å; S2-T4 VanDerWaalsContact O-N 3.07Å; S2-T4 PolarHBondContact OG-OG1 2.93Å; S2-T4 VanDerWaalsContact OG-OG1 3.12Å; S2-K5 PolarHBondContact O-N 3.2Å; S2-K5 VanDerWaalsContact O-N 3.09Å
3	Y	30.7	Very low	33.1	Very low	169 Å²	169	119.5 Å²	119.5	66%	0.663	64%	0.64	S	S	*	*	H	α-helix	trans	-47.5	-34.4	178.2	-153.4	-100.4	0	0	0	113.2	K5 F6 V7	Y3-K5 PolarHBondContact O-N 2.94Å; Y3-F6 WeakPolarHBondContact O-CB 3.47Å; Y3-F6 PolarHBondContact O-N 2.73Å; Y3-V7 PolarHBondContact O-N 3.4Å
4	T	29.9	Very low	33.4	Very low	109 Å²	109	124.1 Å²	124.1	67%	0.669	65%	0.652	S	S	*	*	H	α-helix	trans	-65.6	-27.4	-179.1	19.9	0	0	0	0	115	S2	S2-T4 PolarHBondContact O-N 2.94Å; S2-T4 VanDerWaalsContact O-N 3.07Å; S2-T4 PolarHBondContact OG-OG1 2.93Å; S2-T4 VanDerWaalsContact OG-OG1 3.12Å
5	K	31.9	Very low	33.2	Very low	168 Å²	168	124.1 Å²	124.1	73%	0.73	67%	0.666	S	S	*	*	H	α-helix	trans	-79.8	-24.3	175.2	-78.5	-169.6	174.6	-175.8	0	113	S2 Y3 A8 S9	S2-K5 PolarHBondContact O-N 3.2Å; S2-K5 VanDerWaalsContact O-N 3.09Å; Y3-K5 PolarHBondContact O-N 2.94Å; K5-A8 PolarHBondContact O-N 3.36Å; K5-S9 PolarHBondContact O-N 3.23Å
6	F	37.8	Very low	33	Very low	108 Å²	108	120.4 Å²	120.4	47%	0.474	67%	0.666	S	S	.	*	H	α-helix	trans	-73	-38.4	179.1	-178.5	-104.7	0	0	0	112.3	Y3 A8 S9 L10 F284	Y3-F6 WeakPolarHBondContact O-CB 3.47Å; Y3-F6 PolarHBondContact O-N 2.73Å; F6-A8 VanDerWaalsContact C-N 3.28Å; F6-A8 PolarHBondContact O-N 2.81Å; F6-S9 PolarHBondContact O-OG 3.07Å; F6-L10 HydrophobicContact CD1-CD1 4.06Å; F6-L10 HydrophobicContact CE1-CD1 3.56Å; F6-L10 HydrophobicContact CE2-CD1 4.13Å; F6-L10 HydrophobicContact CZ-CD1 3.6Å; F6-L10 PolarHBondContact O-N 3.07Å; F6-F284 HydrophobicContact CZ-CE2 4.45Å
7	V	36.7	Very low	32.7	Very low	84 Å²	84	123.3 Å²	123.3	51%	0.509	68%	0.68	S	S	.	*	H	α-helix	trans	-63.5	-35.8	174.3	-177.9	0	0	0	0	111.5	Y3 A11	Y3-V7 PolarHBondContact O-N 3.4Å; V7-A11 WeakPolarHBondContact O-CB 3.43Å; V7-A11 PolarHBondContact O-N 3.28Å
8	A	29.3	Very low	32.5	Very low	59 Å²	59	125.3 Å²	125.3	49%	0.488	69%	0.688	S	S	.	*	H	α-helix	trans	-71.8	-29.9	-177.1	0	0	0	0	0	114.3	K5 F6	K5-A8 PolarHBondContact O-N 3.36Å; F6-A8 VanDerWaalsContact C-N 3.28Å; F6-A8 PolarHBondContact O-N 2.81Å
9	S	30.6	Very low	32.2	Very low	75 Å²	75	125.6 Å²	125.6	52%	0.524	69%	0.689	S	S	.	*	H	α-helix	trans	-74.9	-41.8	173.6	51.6	0	0	0	0	111.6	K5 F6 R12	K5-S9 PolarHBondContact O-N 3.23Å; F6-S9 PolarHBondContact O-OG 3.07Å; S9-R12 PolarHBondContact O-N 3.04Å
10	L	35.1	Very low	32	Very low	88 Å²	88	128.6 Å²	128.6	46%	0.461	69%	0.694	S	S	.	*	H	α-helix	trans	-67.5	-34.2	176.4	-88.4	152.5	0	0	0	113.3	F6 R12 A13	F6-L10 HydrophobicContact CD1-CD1 4.06Å; F6-L10 HydrophobicContact CE1-CD1 3.56Å; F6-L10 HydrophobicContact CE2-CD1 4.13Å; F6-L10 HydrophobicContact CZ-CD1 3.6Å; F6-L10 PolarHBondContact O-N 3.07Å; L10-R12 PolarHBondContact O-N 2.88Å; L10-A13 PolarHBondContact O-N 3.13Å
11	A	32.9	Very low	31.7	Very low	68 Å²	68	130.9 Å²	130.9	56%	0.562	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-24.4	175.1	0	0	0	0	0	113.6	V7	V7-A11 WeakPolarHBondContact O-CB 3.43Å; V7-A11 PolarHBondContact O-N 3.28Å
12	R	33.4	Very low	31	Very low	229 Å²	229	130.9 Å²	130.9	86%	0.864	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-15.7	172.8	-74.8	-175.2	175.8	178.8	-1.2	113.9	S9 L10	S9-R12 PolarHBondContact O-N 3.04Å; L10-R12 PolarHBondContact O-N 2.88Å
13	A	34.6	Very low	30.8	Very low	78 Å²	78	135 Å²	135	65%	0.645	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-7.5	-177.6	0	0	0	0	0	114	L10	L10-A13 PolarHBondContact O-N 3.13Å
14	K	36.4	Very low	30.5	Very low	184 Å²	184	131.4 Å²	131.4	80%	0.8	71%	0.705	S	S	*	*			trans	-137.5	74.1	-180	-70.1	-170.4	177.3	-177	0	112.6
15	S	30.4	Very low	30.3	Very low	124 Å²	124	132.5 Å²	132.5	87%	0.867	71%	0.714	S	S	*	*			trans	-99	79.1	163.1	62.3	0	0	0	0	110.7
16	G	30.1	Very low	29.9	Very low	65 Å²	65	129.6 Å²	129.6	67%	0.67	72%	0.715	S	S	*	*			trans	-146.5	121.1	174.6	0	0	0	0	0	110.7
17	N	28.3	Very low	29.3	Very low	170 Å²	170	136.2 Å²	136.2	91%	0.909	74%	0.737	S	S	*	*			trans	59.5	88.7	179.5	-71.4	-14.2	0	0	0	117.6
18	I	29.2	Very low	28.7	Very low	159 Å²	159	138.6 Å²	138.6	82%	0.815	76%	0.756	S	S	*	*			trans	-77.7	123.5	153.1	-64.2	165.8	0	0	0	108.4
19	N	27.8	Very low	28.4	Very low	131 Å²	131	143.8 Å²	143.8	70%	0.701	77%	0.774	S	S	*	*			trans	-173.3	127.3	133.3	-102.8	-48.8	0	0	0	114.4
20	K	26.8	Very low	28.1	Very low	185 Å²	185	145.5 Å²	145.5	80%	0.804	79%	0.787	S	S	*	*			trans	47.4	119.3	146.9	-58.9	174.6	-173.6	177.1	0	119.8
21	I	25.8	Very low	27.7	Very low	178 Å²	178	148 Å²	148	91%	0.913	81%	0.806	S	S	*	*				-149.1	155.2	126.6	-99.7	144.1	0	0	0	109.4
22	R	24.5	Very low	27.3	Very low	237 Å²	237	151.8 Å²	151.8	89%	0.894	82%	0.821	S	S	*	*			trans	-100.6	139.1	-163.2	-156.9	178.5	-169.5	175.6	1.1	110.1
23	I	24.1	Very low	26.9	Very low	167 Å²	167	145.7 Å²	145.7	86%	0.856	82%	0.82	S	S	*	*			trans	-82.7	134.9	175.2	-62	169.1	0	0	0	109.9
24	S	24.6	Very low	26.6	Very low	94 Å²	94	147.4 Å²	147.4	66%	0.657	83%	0.827	S	S	*	*			trans	-143.9	130.6	164.4	57	0	0	0	0	110
25	P	25.2	Very low	26.2	Very low	132 Å²	132	144.4 Å²	144.4	86%	0.857	83%	0.827	S	S	*	*			trans	-86.1	135.4	-178.6	33.4	-32.7	0	0	0	111.9
26	S	24.4	Very low	26	Very low	107 Å²	107	148.5 Å²	148.5	75%	0.748	83%	0.829	S	S	*	*			trans	-124.2	132.4	172.8	-47.7	0	0	0	0	110.1
27	R	24.3	Very low	25.8	Very low	247 Å²	247	150.5 Å²	150.5	93%	0.932	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-72.1	138.4	172.8	-69.4	168.3	166.1	165.7	-7.1	110.1
28	C	24	Very low	25.6	Very low	133 Å²	133	151.8 Å²	151.8	90%	0.899	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-95.5	125	164	-66.8	0	0	0	0	110.1
29	L	24.5	Very low	25.4	Very low	168 Å²	168	153.2 Å²	153.2	88%	0.88	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-96.1	145.1	166.8	-84	160.1	0	0	0	108.9
30	S	24.3	Very low	25.1	Very low	112 Å²	112	154.5 Å²	154.5	78%	0.783	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-78.8	140.1	175.2	49.6	0	0	0	0	111.7
31	T	25.3	Very low	24.9	Very low	141 Å²	141	153.7 Å²	153.7	87%	0.865	84%	0.835	S	S	*	*			trans	-138.4	125.2	157.2	38.3	0	0	0	0	110
32	V	25.6	Very low	24.9	Very low	146 Å²	146	154 Å²	154	89%	0.885	83%	0.832	S	S	*	*			trans	-105.1	129.7	167.2	173.3	0	0	0	0	106.5
33	A	25.3	Very low	25	Very low	102 Å²	102	148.8 Å²	148.8	84%	0.843	83%	0.829	S	S	*	*			trans	-139.8	130.1	171.9	0	0	0	0	0	109.9
34	S	26.7	Very low	25.1	Very low	114 Å²	114	149.5 Å²	149.5	80%	0.797	83%	0.829	S	S	*	*			trans	-124	136.4	178.9	176.1	0	0	0	0	108.4
35	P	29.8	Very low	25	Very low	121 Å²	121	155.9 Å²	155.9	79%	0.786	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-100.9	139.9	173.6	34	-27.2	0	0	0	112.7
36	K	25	Very low	24.9	Very low	210 Å²	210	157 Å²	157	91%	0.913	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-87.1	166.4	170	-85.5	-174.7	173.3	-176.2	0	112.2
37	S	26.3	Very low	24.8	Very low	106 Å²	106	158.4 Å²	158.4	74%	0.741	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.2	165.6	-177.9	47.4	0	0	0	0	116.2
38	Q	23.3	Very low	24.7	Very low	198 Å²	198	155.5 Å²	155.5	93%	0.925	83%	0.827	S	S	*	*			trans	-139	152.2	148.7	-75.1	-165.1	-45.4	0	0	110.2
39	E	25.4	Very low	24.7	Very low	189 Å²	189	152.8 Å²	152.8	88%	0.883	82%	0.822	S	S	*	*			trans	-107.6	165	-175.7	-60.3	170.3	123.6	0	0	112.5
40	E	22.1	Very low	24.6	Very low	158 Å²	158	151.3 Å²	151.3	74%	0.738	82%	0.824	S	S	*	*			trans	163.5	147.7	147.3	-87.5	-157.4	-178.3	0	0	107.9
41	K	22.4	Very low	24.5	Very low	168 Å²	168	150 Å²	150	73%	0.73	82%	0.821	S	S	*	*			cis	-160.3	158.8	-8.1	-117.3	173.8	-162	144.3	0	109.4
42	E	25.7	Very low	24.5	Very low	183 Å²	183	149 Å²	149	86%	0.855	81%	0.813	S	S	*	*			trans	-104	167.5	170.1	-81.1	-169.9	154.2	0	0	113.4
43	P	27.6	Very low	24.4	Very low	128 Å²	128	148.1 Å²	148.1	83%	0.831	81%	0.808	S	S	*	*			trans	-128.6	153.3	146.4	35.6	-22.7	0	0	0	115.5
44	Q	24.3	Very low	24.4	Very low	183 Å²	183	150.3 Å²	150.3	86%	0.855	81%	0.806	S	S	*	*			trans	-95.6	168	-162.9	-53.1	155.4	-46.6	0	0	116.2
45	R	23.4	Very low	24.2	Very low	228 Å²	228	149.8 Å²	149.8	86%	0.86	81%	0.808	S	S	*	*			trans	168.1	153.5	133.7	-89.9	161.2	-170.5	-156.3	2.4	109.8
46	Q	22.1	Very low	24	Very low	155 Å²	155	148.3 Å²	148.3	72%	0.724	81%	0.806	S	S	*	*			cis	-164.4	156	18.5	-134.9	170.5	-3.2	0	0	113.3
47	L	24	Very low	24.1	Very low	136 Å²	136	144.3 Å²	144.3	71%	0.712	80%	0.802	S	S	*	*			trans	43.7	112.8	156.2	-97.3	60.9	0	0	0	120.6
48	E	22.1	Very low	24.1	Very low	186 Å²	186	145.8 Å²	145.8	87%	0.869	81%	0.806	S	S	*	*				79.9	128.7	72.7	-73.4	-171.8	153.7	0	0	117
49	G	23.4	Very low	24.2	Very low	76 Å²	76	144.4 Å²	144.4	78%	0.784	80%	0.8	S	S	*	*			trans	173	88.9	171.6	0	0	0	0	0	116.8
50	C	21.6	Very low	24.4	Very low	138 Å²	138	143.8 Å²	143.8	93%	0.932	80%	0.802	S	S	*	*			trans	77.7	123.2	162.5	-140.7	0	0	0	0	120.5
51	A	23.2	Very low	24.7	Very low	85 Å²	85	143.1 Å²	143.1	70%	0.702	80%	0.801	S	S	*	*			trans	-109.7	175.3	157.8	0	0	0	0	0	108.1
52	V	24.8	Very low	25.1	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.715	80%	0.8	S	S	*	*			cis	-145.3	153.5	20.9	179.1	0	0	0	0	105
53	V	24.8	Very low	25.3	Very low	128 Å²	128	140 Å²	140	78%	0.776	80%	0.8	S	S	*	*				-160.9	129.9	82.6	-169.1	0	0	0	0	112.7
54	D	23.6	Very low	25.4	Very low	149 Å²	149	139.2 Å²	139.2	80%	0.797	79%	0.793	S	S	*	*			trans	15.7	124.8	160	-52.3	-23.6	0	0	0	122.1
55	A	23.3	Very low	25.9	Very low	102 Å²	102	140.1 Å²	140.1	84%	0.843	80%	0.795	S	S	*	*			trans	-124.8	131.9	157.2	0	0	0	0	0	110.2
56	A	25.3	Very low	26.2	Very low	90 Å²	90	136.4 Å²	136.4	74%	0.744	79%	0.792	S	S	*	*			trans	-74.4	158.5	177.2	0	0	0	0	0	111.8
57	P	26.7	Very low	27	Very low	126 Å²	126	134 Å²	134	82%	0.818	80%	0.798	S	S	*	*			trans	-76.3	138.2	-158.7	29.6	-35.5	0	0	0	114.1
58	V	26.1	Very low	27.5	Very low	137 Å²	137	136.8 Å²	136.8	83%	0.83	81%	0.805	S	S	*	*			trans	-97.3	110.9	164.5	178.1	0	0	0	0	108.1
59	E	26.5	Very low	28.1	Very low	169 Å²	169	135.2 Å²	135.2	79%	0.79	80%	0.802	S	S	*	*			trans	-70.6	134.5	173.5	-72.6	-172.8	137.3	0	0	111.4	I61	E59-I61 PolarHBondContact O-N 3.24Å; E59-I61 VanDerWaalsContact O-N 3.07Å
60	L	28.9	Very low	29	Very low	177 Å²	177	137.5 Å²	137.5	93%	0.927	80%	0.801	S	S	*	*			trans	-66.1	103.1	169	-105.1	74.2	0	0	0	109.8
61	I	29.9	Very low	29.9	Very low	143 Å²	143	142.4 Å²	142.4	73%	0.733	80%	0.8	S	S	*	*			trans	-91.1	108.8	163.9	-61.9	-178.9	0	0	0	108.9	E59 Q63	E59-I61 PolarHBondContact O-N 3.24Å; E59-I61 VanDerWaalsContact O-N 3.07Å; I61-Q63 PolarHBondContact O-N 3.02Å; I61-Q63 VanDerWaalsContact O-N 3.08Å
62	S	29.5	Very low	31.4	Very low	99 Å²	99	144.2 Å²	144.2	69%	0.692	80%	0.797	S	S	*	*			trans	-57.3	109.6	168.7	55	0	0	0	0	110.2	T64	S62-T64 PolarHBondContact O-N 2.94Å; S62-T64 PolarHBondContact O-OG1 2.88Å
63	Q	29.7	Very low	33.3	Very low	186 Å²	186	146.1 Å²	146.1	87%	0.869	80%	0.803	S	S	*	*			trans	-77	81.1	173.1	-71.7	-168.4	-2.3	0	0	110.6	I61 K65	I61-Q63 PolarHBondContact O-N 3.02Å; I61-Q63 VanDerWaalsContact O-N 3.08Å; Q63-K65 PolarHBondContact O-N 2.71Å
64	T	29.6	Very low	36	Very low	112 Å²	112	149.1 Å²	149.1	69%	0.687	80%	0.8	S	S	*	*			trans	-48.4	123.8	157.3	-27	0	0	0	0	108.2	S62 N66	S62-T64 PolarHBondContact O-N 2.94Å; S62-T64 PolarHBondContact O-OG1 2.88Å; T64-N66 PolarHBondContact O-N 3Å
65	K	35	Very low	39	Very low	203 Å²	203	143.4 Å²	143.4	88%	0.883	77%	0.77	S	S	*	*			trans	-62.1	96	176.8	-75.4	-176.5	175	-178.4	0	109.9	Q63 A67	Q63-K65 PolarHBondContact O-N 2.71Å; K65-A67 PolarHBondContact O-N 3.17Å
66	N	31	Very low	42.1	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	77%	0.765	S	S	*	*			trans	-69.7	94.4	174	-96.2	-26.1	0	0	0	109.6	T64 K68	T64-N66 PolarHBondContact O-N 3Å; N66-K68 PolarHBondContact O-N 3.46Å
67	A	37.3	Very low	45.4	Very low	104 Å²	104	143.1 Å²	143.1	86%	0.86	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	46.6	179	0	0	0	0	0	113.2	K65	K65-A67 PolarHBondContact O-N 3.17Å
68	K	35.7	Very low	48.6	Very low	195 Å²	195	141 Å²	141	85%	0.848	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139	-0.2	-170.4	-89.3	-168	175.5	-179.6	0	117.9	N66	N66-K68 PolarHBondContact O-N 3.46Å
69	D	34.4	Very low	51.9	Low	154 Å²	154	134.7 Å²	134.7	82%	0.824	68%	0.679	S	S	*	*	S	Bend	trans	-138.7	45.5	-178.3	-139.3	0.1	0	0	0	116
70	V	41.7	Very low	55.1	Low	124 Å²	124	130.5 Å²	130.5	75%	0.752	66%	0.662	S	S	*	*			trans	-129.1	81.9	154.1	-172.8	0	0	0	0	108.2	L72	V70-L72 HydrophobicContact CG1-CD1 4.4Å; V70-L72 HydrophobicContact CG1-CG 4Å; V70-L72 PolarHBondContact O-N 3.33Å
71	R	41.9	Very low	58.3	Low	240 Å²	240	125.1 Å²	125.1	91%	0.906	63%	0.634	S	S	*	*			trans	-71.2	83.6	156.9	-79.6	-174	176.5	-176.3	0.4	107.8	N73	R71-N73 PolarHBondContact O-N 3.01Å
72	L	54.3	Low	61.4	Low	123 Å²	123	119.1 Å²	119.1	64%	0.644	60%	0.604	S	S	*	*			trans	-50.4	126.2	156.6	-87.8	152.3	0	0	0	107.1	V70 R74	V70-L72 HydrophobicContact CG1-CD1 4.4Å; V70-L72 HydrophobicContact CG1-CG 4Å; V70-L72 PolarHBondContact O-N 3.33Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 3.43Å
73	N	64.8	Low	64.5	Low	159 Å²	159	118 Å²	118	85%	0.85	59%	0.588	S	S	*	*			trans	-62.8	99.2	175.1	-84.9	-22.8	0	0	0	107.8	R71 I75	R71-N73 PolarHBondContact O-N 3.01Å; N73-I75 PolarHBondContact O-N 3.48Å; N73-I75 VanDerWaalsContact O-N 3.1Å
74	R	81.7	Confident	67.5	Low	190 Å²	190	112 Å²	112	72%	0.717	56%	0.56	S	S	*	*			trans	-57.5	118.5	-178.7	-171.1	179.9	-177.9	170.7	1.4	108.6	L72 H76 N535	L72-R74 VanDerWaalsContact C-N 3.34Å; L72-R74 PolarHBondContact O-N 3.43Å; R74-H76 PolarHBondContact O-N 2.86Å; R74-H76 VanDerWaalsContact O-N 3.1Å; R74-N535 WeakPolarHBondContact CA-OD1 3.13Å; R74-N535 HydrophobicContact CG-CB 4.37Å; R74-N535 WeakPolarHBondContact CG-OD1 3.45Å
75	I	85.1	Confident	70.6	Confident	30 Å²	30	106.7 Å²	106.7	15%	0.154	53%	0.527	C	S	.	.			trans	-55	116	173.3	-64.7	158.4	0	0	0	107.6	N73 L531 M534 N535 P541 F567	N73-I75 PolarHBondContact O-N 3.48Å; N73-I75 VanDerWaalsContact O-N 3.1Å; I75-L531 HydrophobicContact CG2-CB 4.08Å; I75-L531 HydrophobicContact CG2-CD1 4.32Å; I75-L531 HydrophobicContact CG2-CD2 3.95Å; I75-L531 HydrophobicContact CG2-CG 4.32Å; I75-M534 HydrophobicContact CD1-CB 4.18Å; I75-N535 WeakPolarHBondContact CB-OD1 3.19Å; I75-N535 PolarHBondContact N-OD1 3.43Å; I75-N535 PolarHBondContact O-ND2 3.03Å; I75-P541 HydrophobicContact CD1-CG 4.48Å; I75-F567 HydrophobicContact CB-CZ 4.41Å; I75-F567 HydrophobicContact CD1-CE1 4.42Å; I75-F567 HydrophobicContact CD1-CZ 3.94Å; I75-F567 HydrophobicContact CG1-CZ 4.06Å; I75-F567 HydrophobicContact CG2-CE2 4.03Å; I75-F567 HydrophobicContact CG2-CZ 3.47Å; I75-F567 VanDerWaalsContact CG2-CZ 3.47Å
76	H	89.4	Confident	73.4	Confident	162 Å²	162	97 Å²	97	75%	0.75	49%	0.485	S	S	*	.			trans	-139	124.4	173.2	179.1	-81.5	0	0	0	108.5	R74	R74-H76 PolarHBondContact O-N 2.86Å; R74-H76 VanDerWaalsContact O-N 3.1Å
77	I	93.7	Very high	76.4	Confident	23 Å²	23	93.1 Å²	93.1	12%	0.118	46%	0.462	C	S	.	.			trans	-126.3	125.2	-179.6	-60	178.9	0	0	0	108	F79 L531 P561 L562 A565 F567	I77-F79 HydrophobicContact CB-CE1 4.33Å; I77-F79 HydrophobicContact CB-CE2 4.5Å; I77-F79 HydrophobicContact CB-CZ 4.14Å; I77-F79 HydrophobicContact CG2-CD1 3.9Å; I77-F79 HydrophobicContact CG2-CE1 3.58Å; I77-F79 HydrophobicContact CG2-CE2 4.49Å; I77-F79 HydrophobicContact CG2-CZ 3.91Å; I77-L531 HydrophobicContact CB-CD1 4.34Å; I77-L531 HydrophobicContact CD1-CD1 3.98Å; I77-L531 HydrophobicContact CG1-CD1 4.29Å; I77-P561 HydrophobicContact CG2-CB 3.64Å; I77-L562 HydrophobicContact CD1-CD2 3.52Å; I77-L562 HydrophobicContact CD1-CG 4.14Å; I77-A565 HydrophobicContact CD1-CB 3.84Å; I77-A565 HydrophobicContact CG1-CB 4.22Å; I77-F567 HydrophobicContact CD1-CD2 4.07Å; I77-F567 HydrophobicContact CD1-CE2 3.77Å
78	D	94.3	Very high	79.1	Confident	82 Å²	82	88.2 Å²	88.2	44%	0.439	42%	0.421	S	S	.	.			trans	-88	104.9	173.9	-179.1	6.2	0	0	0	109.8	D80 N81	D78-D80 VanDerWaalsContact C-N 3.29Å; D78-D80 WeakPolarHBondContact OD1-CA 3.47Å; D78-D80 PolarHBondContact OD1-N 3.21Å; D78-N81 HydrophobicContact CB-CB 4.25Å; D78-N81 PolarHBondContact OD1-N 3.03Å
79	F	94.7	Very high	81.9	Confident	4 Å²	4	79.7 Å²	79.7	2%	0.018	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-6	177.4	-62.4	-61.5	0	0	0	113.7	I77 E524 V527 K528 L531 Q557 I558 P561 L562	I77-F79 HydrophobicContact CB-CE1 4.33Å; I77-F79 HydrophobicContact CB-CE2 4.5Å; I77-F79 HydrophobicContact CB-CZ 4.14Å; I77-F79 HydrophobicContact CG2-CD1 3.9Å; I77-F79 HydrophobicContact CG2-CE1 3.58Å; I77-F79 HydrophobicContact CG2-CE2 4.49Å; I77-F79 HydrophobicContact CG2-CZ 3.91Å; F79-E524 HydrophobicContact CB-CG 4.37Å; F79-E524 HydrophobicContact CD2-CG 3.74Å; F79-E524 HydrophobicContact CE2-CG 4.3Å; F79-E524 HydrophobicContact CG-CG 4.18Å; F79-V527 HydrophobicContact CE1-CG1 4.5Å; F79-V527 HydrophobicContact CE2-CG1 4.1Å; F79-V527 HydrophobicContact CZ-CG1 3.6Å; F79-K528 HydrophobicContact CD2-CG 4.35Å; F79-K528 HydrophobicContact CE2-CG 4.05Å; F79-L531 HydrophobicContact CE2-CD1 4.29Å; F79-L531 HydrophobicContact CZ-CD1 4.06Å; F79-Q557 VanDerWaalsContact CD1-O 3.31Å; F79-Q557 WeakPolarHBondContact CD1-O 3.47Å; F79-I558 HydrophobicContact CE1-CG2 4.41Å; F79-P561 HydrophobicContact CD1-CB 4.4Å; F79-L562 HydrophobicContact CE1-CG 4.14Å; F79-L562 HydrophobicContact CZ-CG 4.34Å
80	D	94.8	Very high	84.7	Confident	82 Å²	82	74.6 Å²	74.6	44%	0.439	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-7.9	174.2	-66	-54	0	0	0	112.5	D78 T82 R601	D78-D80 VanDerWaalsContact C-N 3.29Å; D78-D80 WeakPolarHBondContact OD1-CA 3.47Å; D78-D80 PolarHBondContact OD1-N 3.21Å; D80-T82 PolarHBondContact O-N 2.74Å; D80-R601 IonicContact OD1-CZ 2.76Å; D80-R601 IonicContact OD1-NE 3.15Å; D80-R601 PolarHBondContact OD1-NE 3.42Å; D80-R601 IonicContact OD1-NH2 2.72Å; D80-R601 PolarHBondContact OD1-NH2 2.76Å; D80-R601 IonicContact OD2-NH2 2.95Å; D80-R601 PolarHBondContact OD2-NH2 3.01Å
81	N	95.5	Very high	87.2	Confident	63 Å²	63	69.3 Å²	69.3	34%	0.337	32%	0.324	S	S	.	.			trans	-69.3	97.7	171	-177.7	-17.3	0	0	0	111.2	D78 E83 E84 A85	D78-N81 HydrophobicContact CB-CB 4.25Å; D78-N81 PolarHBondContact OD1-N 3.03Å; N81-E83 VanDerWaalsContact C-N 3.3Å; N81-E83 PolarHBondContact O-N 3.08Å; N81-E83 PolarHBondContact OD1-N 2.89Å; N81-E83 VanDerWaalsContact OD1-N 3.11Å; N81-E84 PolarHBondContact OD1-N 3.16Å; N81-A85 VanDerWaalsContact O-CB 3.23Å; N81-A85 WeakPolarHBondContact O-CB 3.22Å; N81-A85 PolarHBondContact O-N 3.43Å
82	T	95.6	Very high	89.6	Confident	17 Å²	17	64.3 Å²	64.3	10%	0.104	31%	0.314	C	S	.	.	H	α-helix	trans	-69.7	-25	-175.8	73.1	0	0	0	0	114.1	D80 Y86 L605 N608 E609	D80-T82 PolarHBondContact O-N 2.74Å; T82-Y86 VanDerWaalsContact O-CD2 3.28Å; T82-Y86 WeakPolarHBondContact O-CD2 3.12Å; T82-Y86 PolarHBondContact O-N 3.02Å; T82-L605 HydrophobicContact CG2-CB 4.29Å; T82-L605 HydrophobicContact CG2-CD2 3.88Å; T82-N608 HydrophobicContact CG2-CB 3.91Å; T82-E609 VanDerWaalsContact C-OE2 3.24Å; T82-E609 WeakPolarHBondContact CB-OE2 3.43Å; T82-E609 PolarHBondContact OG1-OE2 2.86Å
83	E	94.1	Very high	91.5	Very high	76 Å²	76	59.6 Å²	59.6	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-69.1	-51.6	-179.2	175	146.9	-127.4	0	0	110.6	N81 Y86 K87 E609 R612	N81-E83 VanDerWaalsContact C-N 3.3Å; N81-E83 PolarHBondContact O-N 3.08Å; N81-E83 PolarHBondContact OD1-N 2.89Å; N81-E83 VanDerWaalsContact OD1-N 3.11Å; E83-Y86 PolarHBondContact O-N 2.91Å; E83-K87 WeakPolarHBondContact O-CA 3.44Å; E83-K87 WeakPolarHBondContact O-CB 3.42Å; E83-K87 PolarHBondContact O-N 3.3Å; E83-E609 PolarHBondContact N-OE2 2.81Å; E83-R612 IonicContact OE1-CZ 3.55Å; E83-R612 IonicContact OE1-NH1 3.83Å; E83-R612 PolarHBondContact OE1-NH1 2.93Å; E83-R612 IonicContact OE1-NH2 2.72Å; E83-R612 PolarHBondContact OE1-NH2 3.47Å; E83-R612 IonicContact OE2-CZ 3.86Å; E83-R612 IonicContact OE2-NH1 2.72Å; E83-R612 PolarHBondContact OE2-NH1 3.33Å; E83-R612 IonicContact OE2-NH2 3.26Å
84	E	92.7	Very high	92.9	Very high	59 Å²	59	52 Å²	52	28%	0.276	25%	0.248	S	C	.	.	H	α-helix	trans	-69.7	-35.9	175.5	-66.4	-58.9	129.7	0	0	111.7	N81 Y86 K87 Q564	N81-E84 PolarHBondContact OD1-N 3.16Å; E84-Y86 VanDerWaalsContact C-N 3.27Å; E84-Y86 PolarHBondContact O-N 3.47Å; E84-K87 IonicContact OE1-NZ 3.51Å; E84-K87 PolarHBondContact OE1-NZ 3.36Å; E84-K87 IonicContact OE2-NZ 3.42Å; E84-K87 PolarHBondContact OE2-NZ 3.48Å; E84-Q564 PolarHBondContact O-NE2 2.99Å
85	A	94.1	Very high	93.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-35.3	176.3	0	0	0	0	0	114.2	N81 Q557 P561	N81-A85 VanDerWaalsContact O-CB 3.23Å; N81-A85 WeakPolarHBondContact O-CB 3.22Å; N81-A85 PolarHBondContact O-N 3.43Å; A85-Q557 HydrophobicContact CB-CB 3.87Å; A85-P561 HydrophobicContact CB-CG 4.23Å
86	Y	95.4	Very high	94	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-124.9	14.8	-171.8	-57.7	-59.9	0	0	0	114.2	T82 E83 E84 S88 K89 L94 D556 Q557 L605 L606 E609 R613	T82-Y86 VanDerWaalsContact O-CD2 3.28Å; T82-Y86 WeakPolarHBondContact O-CD2 3.12Å; T82-Y86 PolarHBondContact O-N 3.02Å; E83-Y86 PolarHBondContact O-N 2.91Å; E84-Y86 VanDerWaalsContact C-N 3.27Å; E84-Y86 PolarHBondContact O-N 3.47Å; Y86-S88 PolarHBondContact O-N 2.88Å; Y86-S88 VanDerWaalsContact O-N 3.14Å; Y86-K89 HydrophobicContact CD1-CD 4.09Å; Y86-K89 PolarHBondContact O-N 2.72Å; Y86-L94 HydrophobicContact CD1-CD2 4.22Å; Y86-L94 HydrophobicContact CG-CD2 4Å; Y86-D556 HydrophobicContact CD1-CB 4.36Å; Y86-D556 HydrophobicContact CE1-CB 4.05Å; Y86-Q557 PolarHBondContact OH-OE1 3.12Å; Y86-L605 HydrophobicContact CE2-CB 3.94Å; Y86-L605 WeakPolarHBondContact OH-CB 3.26Å; Y86-L606 HydrophobicContact CD1-CD2 3.89Å; Y86-L606 HydrophobicContact CE1-CD2 3.46Å; Y86-L606 VanDerWaalsContact CE1-CD2 3.46Å; Y86-L606 HydrophobicContact CE1-CG 4.08Å; Y86-L606 HydrophobicContact CE2-CD2 4.19Å; Y86-L606 HydrophobicContact CE2-CG 4.4Å; Y86-L606 HydrophobicContact CG-CD2 4.43Å; Y86-E609 HydrophobicContact CD2-CB 3.73Å; Y86-E609 HydrophobicContact CD2-CG 3.99Å; Y86-E609 HydrophobicContact CE2-CB 4.41Å; Y86-E609 HydrophobicContact CG-CG 4.41Å; Y86-R613 PolarHBondContact O-NH2 2.75Å
87	K	93.8	Very high	94.2	Very high	68 Å²	68	41.2 Å²	41.2	30%	0.296	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-35.8	174.6	-155.8	-179.6	-161.3	151.2	0	113.1	E83 E84 K89 F160 Y621 P623	E83-K87 WeakPolarHBondContact O-CA 3.44Å; E83-K87 WeakPolarHBondContact O-CB 3.42Å; E83-K87 PolarHBondContact O-N 3.3Å; E84-K87 IonicContact OE1-NZ 3.51Å; E84-K87 PolarHBondContact OE1-NZ 3.36Å; E84-K87 IonicContact OE2-NZ 3.42Å; E84-K87 PolarHBondContact OE2-NZ 3.48Å; K87-K89 VanDerWaalsContact C-N 3.33Å; K87-K89 PolarHBondContact O-N 2.95Å; K87-F160 HydrophobicContact CB-CD1 4.5Å; K87-F160 HydrophobicContact CB-CE1 4.24Å; K87-F160 HydrophobicContact CD-CD1 4.39Å; K87-F160 HydrophobicContact CD-CE1 4.1Å; K87-F160 HydrophobicContact CG-CE1 4Å; K87-Y621 WeakPolarHBondContact O-CE1 3.28Å; K87-Y621 PolarHBondContact O-OH 3.33Å; K87-P623 WeakPolarHBondContact O-CB 3.29Å
88	S	93.3	Very high	94.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-8.4	179	66.4	0	0	0	0	115.2	Y86 K156 F160 F560	Y86-S88 PolarHBondContact O-N 2.88Å; Y86-S88 VanDerWaalsContact O-N 3.14Å; S88-K156 WeakPolarHBondContact O-CE 3.46Å; S88-K156 PolarHBondContact O-NZ 3.3Å; S88-F160 VanDerWaalsContact CB-CD2 3.4Å; S88-F560 WeakPolarHBondContact OG-CD1 3.48Å; S88-F560 VanDerWaalsContact OG-CE1 3.25Å; S88-F560 WeakPolarHBondContact OG-CE1 3.15Å; S88-F560 WeakPolarHBondContact OG-CE2 3.28Å; S88-F560 VanDerWaalsContact OG-CZ 3.26Å; S88-F560 WeakPolarHBondContact OG-CZ 3.38Å
89	K	93.8	Very high	94.2	Very high	15 Å²	15	41.1 Å²	41.1	7%	0.065	21%	0.205	C	C	.	.			trans	-106.7	139.2	-178.1	-69.6	-172.2	-169.9	-67	0	112.5	Y86 K87 E93 L94 D556 R613 Y621	Y86-K89 HydrophobicContact CD1-CD 4.09Å; Y86-K89 PolarHBondContact O-N 2.72Å; K87-K89 VanDerWaalsContact C-N 3.33Å; K87-K89 PolarHBondContact O-N 2.95Å; K89-E93 WeakPolarHBondContact CA-OE2 3.46Å; K89-E93 HydrophobicContact CB-CB 4.12Å; K89-E93 HydrophobicContact CD-CB 4.34Å; K89-E93 HydrophobicContact CG-CB 4.26Å; K89-L94 HydrophobicContact CB-CD2 4.29Å; K89-L94 HydrophobicContact CB-CG 4.38Å; K89-L94 HydrophobicContact CD-CD2 3.89Å; K89-D556 WeakPolarHBondContact CE-OD2 3.47Å; K89-D556 IonicContact NZ-OD2 3.54Å; K89-D556 PolarHBondContact NZ-OD2 3.15Å; K89-R613 PolarHBondContact O-NH1 3.29Å; K89-Y621 WeakPolarHBondContact O-CD1 3.22Å; K89-Y621 WeakPolarHBondContact O-CE1 3.42Å
90	N	93.9	Very high	94	Very high	47 Å²	47	40.9 Å²	40.9	25%	0.251	20%	0.204	S	C	.	.			trans	-81.6	169.7	163.2	72.1	59.2	0	0	0	112	I92 E93 L94 Y621	N90-I92 VanDerWaalsContact C-N 3.29Å; N90-I92 PolarHBondContact O-N 2.98Å; N90-I92 WeakPolarHBondContact OD1-CA 3.18Å; N90-I92 VanDerWaalsContact OD1-CB 3.31Å; N90-I92 WeakPolarHBondContact OD1-CB 3.39Å; N90-I92 PolarHBondContact OD1-N 2.91Å; N90-E93 PolarHBondContact N-OE2 3.4Å; N90-E93 PolarHBondContact ND2-OE2 3.05Å; N90-E93 WeakPolarHBondContact O-CB 3.42Å; N90-E93 PolarHBondContact O-N 2.85Å; N90-E93 VanDerWaalsContact O-N 3.14Å; N90-E93 PolarHBondContact OD1-N 3.25Å; N90-L94 PolarHBondContact O-N 2.86Å; N90-L94 VanDerWaalsContact O-N 3.15Å; N90-Y621 WeakPolarHBondContact CB-O 3.3Å
91	N	93.5	Very high	93.8	Very high	14 Å²	14	37.2 Å²	37.2	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-66.6	-27	-175.4	-65.7	-8.4	0	0	0	113.9	L94 L95 R613 Q618 I619	N91-L94 PolarHBondContact O-N 3.15Å; N91-L95 WeakPolarHBondContact O-CG 3.35Å; N91-L95 PolarHBondContact O-N 3.38Å; N91-R613 WeakPolarHBondContact OD1-CD 3.45Å; N91-R613 PolarHBondContact OD1-NH1 2.77Å; N91-Q618 PolarHBondContact ND2-O 3.4Å; N91-I619 VanDerWaalsContact ND2-C 3.28Å; N91-I619 PolarHBondContact ND2-O 2.85Å
92	I	93.4	Very high	93.5	Very high	134 Å²	134	37.3 Å²	37.3	69%	0.687	18%	0.184	S	C	*	.	H	α-helix	trans	-71.2	-37.7	174.9	-57	171.8	0	0	0	110	N90 L95 R96	N90-I92 VanDerWaalsContact C-N 3.29Å; N90-I92 PolarHBondContact O-N 2.98Å; N90-I92 WeakPolarHBondContact OD1-CA 3.18Å; N90-I92 VanDerWaalsContact OD1-CB 3.31Å; N90-I92 WeakPolarHBondContact OD1-CB 3.39Å; N90-I92 PolarHBondContact OD1-N 2.91Å; I92-L95 PolarHBondContact O-N 2.82Å; I92-R96 WeakPolarHBondContact O-CB 3.37Å; I92-R96 PolarHBondContact O-N 2.71Å
93	E	94.1	Very high	93.2	Very high	24 Å²	24	38.5 Å²	38.5	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-37.4	174.5	-66.3	176.8	103.1	0	0	112.3	K89 N90 S97 K156	K89-E93 WeakPolarHBondContact CA-OE2 3.46Å; K89-E93 HydrophobicContact CB-CB 4.12Å; K89-E93 HydrophobicContact CD-CB 4.34Å; K89-E93 HydrophobicContact CG-CB 4.26Å; N90-E93 PolarHBondContact N-OE2 3.4Å; N90-E93 PolarHBondContact ND2-OE2 3.05Å; N90-E93 WeakPolarHBondContact O-CB 3.42Å; N90-E93 PolarHBondContact O-N 2.85Å; N90-E93 VanDerWaalsContact O-N 3.14Å; N90-E93 PolarHBondContact OD1-N 3.25Å; E93-S97 WeakPolarHBondContact O-CB 3.35Å; E93-S97 PolarHBondContact O-N 2.62Å; E93-S97 PolarHBondContact O-OG 3.37Å; E93-K156 VanDerWaalsContact CD-NZ 3.25Å; E93-K156 IonicContact OE1-NZ 3.74Å; E93-K156 PolarHBondContact OE1-NZ 2.83Å; E93-K156 IonicContact OE2-NZ 3.67Å; E93-K156 PolarHBondContact OE2-NZ 2.86Å
94	L	94.3	Very high	92.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.3	-48.9	172.4	-68.1	177.8	0	0	0	111.5	Y86 K89 N90 N91 R96 S97 L98 L606 E609	Y86-L94 HydrophobicContact CD1-CD2 4.22Å; Y86-L94 HydrophobicContact CG-CD2 4Å; K89-L94 HydrophobicContact CB-CD2 4.29Å; K89-L94 HydrophobicContact CB-CG 4.38Å; K89-L94 HydrophobicContact CD-CD2 3.89Å; N90-L94 PolarHBondContact O-N 2.86Å; N90-L94 VanDerWaalsContact O-N 3.15Å; N91-L94 PolarHBondContact O-N 3.15Å; L94-R96 PolarHBondContact O-N 3.26Å; L94-S97 PolarHBondContact O-N 2.72Å; L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 3.05Å; L94-L606 HydrophobicContact CD2-CD2 3.47Å; L94-L606 VanDerWaalsContact CD2-CD2 3.47Å; L94-E609 HydrophobicContact CD1-CB 4.41Å; L94-E609 HydrophobicContact CD1-CG 3.82Å
95	L	94.4	Very high	92.5	Very high	96 Å²	96	38.5 Å²	38.5	50%	0.503	18%	0.184	S	C	.	.	H	α-helix	trans	-60.7	-41.6	176.6	-74.1	168.5	0	0	0	112.1	N91 I92 L98 L99 L610	N91-L95 WeakPolarHBondContact O-CG 3.35Å; N91-L95 PolarHBondContact O-N 3.38Å; I92-L95 PolarHBondContact O-N 2.82Å; L95-L98 PolarHBondContact O-N 3.2Å; L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.13Å; L95-L610 HydrophobicContact CD2-CD2 3.64Å; L95-L610 HydrophobicContact CG-CD1 4.45Å; L95-L610 HydrophobicContact CG-CD2 4.32Å
96	R	95.3	Very high	92.2	Very high	57 Å²	57	42.4 Å²	42.4	22%	0.215	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-45.9	173.9	-179.7	179.4	66.8	-163.9	-2.7	111.6	I92 L94 L99 V100 M135 G139	I92-R96 WeakPolarHBondContact O-CB 3.37Å; I92-R96 PolarHBondContact O-N 2.71Å; L94-R96 PolarHBondContact O-N 3.26Å; R96-L99 PolarHBondContact O-N 3.22Å; R96-V100 HydrophobicContact CG-CG2 4.28Å; R96-V100 WeakPolarHBondContact O-CB 3.21Å; R96-V100 WeakPolarHBondContact O-CG2 3.33Å; R96-V100 PolarHBondContact O-N 2.92Å; R96-M135 VanDerWaalsContact CD-O 3.28Å; R96-M135 WeakPolarHBondContact CD-O 3.43Å; R96-M135 WeakPolarHBondContact CG-O 3.41Å; R96-G139 VanDerWaalsContact CZ-C 3.47Å; R96-G139 PolarHBondContact NE-O 3.44Å; R96-G139 PolarHBondContact NH1-O 3.49Å; R96-G139 VanDerWaalsContact NH1-O 3.1Å; R96-G139 PolarHBondContact NH2-O 2.88Å
97	S	93.9	Very high	91.7	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-46.6	179.1	-55.4	0	0	0	0	110.8	E93 L94 L99 V100 F101 Q140	E93-S97 WeakPolarHBondContact O-CB 3.35Å; E93-S97 PolarHBondContact O-N 2.62Å; E93-S97 PolarHBondContact O-OG 3.37Å; L94-S97 PolarHBondContact O-N 2.72Å; S97-L99 PolarHBondContact O-N 3.03Å; S97-V100 PolarHBondContact O-N 2.97Å; S97-F101 WeakPolarHBondContact O-CB 3.42Å; S97-F101 WeakPolarHBondContact O-CD2 3.41Å; S97-F101 WeakPolarHBondContact O-CG 3.37Å; S97-F101 PolarHBondContact O-N 2.97Å; S97-Q140 PolarHBondContact OG-NE2 3.15Å; S97-Q140 PolarHBondContact OG-OE1 3.05Å; S97-Q140 VanDerWaalsContact OG-OE1 3.09Å
98	L	93.1	Very high	91.3	Very high	17 Å²	17	48.3 Å²	48.3	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-40.4	175.4	-73.6	167.1	0	0	0	112.8	L94 L95 N102 L606 W607 L610	L94-L98 WeakPolarHBondContact O-CG 3.48Å; L94-L98 PolarHBondContact O-N 3.05Å; L95-L98 PolarHBondContact O-N 3.2Å; L98-N102 WeakPolarHBondContact O-CB 3.27Å; L98-N102 PolarHBondContact O-N 3.41Å; L98-N102 VanDerWaalsContact O-N 3.14Å; L98-N102 PolarHBondContact O-ND2 2.89Å; L98-L606 HydrophobicContact CD2-CB 3.76Å; L98-L606 HydrophobicContact CG-CB 4.02Å; L98-W607 HydrophobicContact CD1-CE3 4.07Å; L98-W607 HydrophobicContact CD2-CB 4.34Å; L98-L610 HydrophobicContact CD1-CB 4.46Å; L98-L610 HydrophobicContact CD1-CD2 3.65Å
99	L	93.8	Very high	90.9	Very high	86 Å²	86	50.5 Å²	50.5	45%	0.45	25%	0.249	S	C	.	.	H	α-helix	trans	-63.5	-54.7	175.3	174.8	61.6	0	0	0	111	L95 R96 S97 F101 N102 L103 T136	L95-L99 WeakPolarHBondContact O-CB 3.3Å; L95-L99 PolarHBondContact O-N 3.13Å; R96-L99 PolarHBondContact O-N 3.22Å; S97-L99 PolarHBondContact O-N 3.03Å; L99-F101 PolarHBondContact O-N 3.11Å; L99-N102 PolarHBondContact O-N 2.66Å; L99-N102 VanDerWaalsContact O-N 3.08Å; L99-L103 HydrophobicContact CD1-CD1 4.1Å; L99-L103 HydrophobicContact CD1-CG 4.14Å; L99-L103 HydrophobicContact CG-CD1 4.06Å; L99-L103 HydrophobicContact CG-CG 4.48Å; L99-L103 WeakPolarHBondContact O-CG 3.3Å; L99-L103 PolarHBondContact O-N 3.3Å; L99-T136 HydrophobicContact CD2-CG2 4.14Å
100	V	91.9	Very high	90.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.9	-47.7	-177.3	171.4	0	0	0	0	111	R96 S97 N102 L103 C104 F137 Q140 F141	R96-V100 HydrophobicContact CG-CG2 4.28Å; R96-V100 WeakPolarHBondContact O-CB 3.21Å; R96-V100 WeakPolarHBondContact O-CG2 3.33Å; R96-V100 PolarHBondContact O-N 2.92Å; S97-V100 PolarHBondContact O-N 2.97Å; V100-N102 PolarHBondContact O-N 2.65Å; V100-L103 PolarHBondContact O-N 3.01Å; V100-L103 VanDerWaalsContact O-N 3.1Å; V100-C104 PolarHBondContact O-N 3.38Å; V100-C104 PolarHBondContact O-SG 2.85Å; V100-F137 HydrophobicContact CG1-CD1 3.88Å; V100-F137 HydrophobicContact CG1-CE1 3.94Å; V100-F137 HydrophobicContact CG1-CG 4.33Å; V100-F137 HydrophobicContact CG1-CZ 4.45Å; V100-Q140 HydrophobicContact CB-CB 4.48Å; V100-Q140 HydrophobicContact CB-CG 4.39Å; V100-Q140 HydrophobicContact CG1-CB 4.24Å; V100-Q140 HydrophobicContact CG1-CG 4.1Å; V100-Q140 HydrophobicContact CG2-CB 4.17Å; V100-F141 HydrophobicContact CG1-CE2 3.6Å; V100-F141 HydrophobicContact CG1-CZ 3.98Å
101	F	89.7	Confident	89.7	Confident	4 Å²	4	53 Å²	53	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-24.3	177.2	-66.8	-51	0	0	0	113.7	S97 L99 F141 G553 N592 E602 R603 L606	S97-F101 WeakPolarHBondContact O-CB 3.42Å; S97-F101 WeakPolarHBondContact O-CD2 3.41Å; S97-F101 WeakPolarHBondContact O-CG 3.37Å; S97-F101 PolarHBondContact O-N 2.97Å; L99-F101 PolarHBondContact O-N 3.11Å; F101-F141 HydrophobicContact CE1-CZ 4.44Å; F101-G553 WeakPolarHBondContact CZ-O 3.31Å; F101-N592 HydrophobicContact CD1-CB 4.47Å; F101-N592 WeakPolarHBondContact CE1-OD1 3.39Å; F101-E602 HydrophobicContact CE2-CG 3.92Å; F101-E602 HydrophobicContact CZ-CG 4.26Å; F101-R603 HydrophobicContact CB-CG 3.62Å; F101-R603 HydrophobicContact CD2-CG 4.12Å; F101-R603 HydrophobicContact CG-CG 4.16Å; F101-L606 HydrophobicContact CD2-CD1 3.78Å; F101-L606 HydrophobicContact CE2-CD1 3.71Å
102	N	88.9	Confident	89.3	Confident	65 Å²	65	59 Å²	59	35%	0.348	29%	0.285	S	S	.	.	H	α-helix	trans	-78.1	-35.6	170.5	-79.9	-44.6	0	0	0	112.3	L98 L99 V100 C104 R105	L98-N102 WeakPolarHBondContact O-CB 3.27Å; L98-N102 PolarHBondContact O-N 3.41Å; L98-N102 VanDerWaalsContact O-N 3.14Å; L98-N102 PolarHBondContact O-ND2 2.89Å; L99-N102 PolarHBondContact O-N 2.66Å; L99-N102 VanDerWaalsContact O-N 3.08Å; V100-N102 PolarHBondContact O-N 2.65Å; N102-C104 VanDerWaalsContact C-N 3.32Å; N102-C104 PolarHBondContact O-N 2.98Å; N102-R105 WeakPolarHBondContact O-CB 3.44Å; N102-R105 PolarHBondContact O-N 3.38Å; N102-R105 VanDerWaalsContact O-N 3.1Å; N102-R105 PolarHBondContact OD1-NH1 3.01Å
103	L	89.6	Confident	88.8	Confident	42 Å²	42	53 Å²	53	22%	0.22	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-37.4	173.2	-66.5	172.9	0	0	0	111.6	L99 V100 R105 I106 L109 F137	L99-L103 HydrophobicContact CD1-CD1 4.1Å; L99-L103 HydrophobicContact CD1-CG 4.14Å; L99-L103 HydrophobicContact CG-CD1 4.06Å; L99-L103 HydrophobicContact CG-CG 4.48Å; L99-L103 WeakPolarHBondContact O-CG 3.3Å; L99-L103 PolarHBondContact O-N 3.3Å; V100-L103 PolarHBondContact O-N 3.01Å; V100-L103 VanDerWaalsContact O-N 3.1Å; L103-R105 PolarHBondContact O-N 2.87Å; L103-R105 VanDerWaalsContact O-N 3.1Å; L103-I106 HydrophobicContact CD2-CD1 4.17Å; L103-I106 PolarHBondContact O-N 2.76Å; L103-L109 HydrophobicContact CB-CD1 4.31Å; L103-L109 HydrophobicContact CD2-CD1 4.02Å; L103-F137 HydrophobicContact CB-CE2 4.01Å; L103-F137 HydrophobicContact CB-CZ 3.76Å; L103-F137 HydrophobicContact CD1-CE2 3.76Å; L103-F137 HydrophobicContact CD1-CZ 4.37Å
104	C	86.8	Confident	88.1	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-12.6	173	-60.9	0	0	0	0	114.4	V100 N102 V110 N592 R593	V100-C104 PolarHBondContact O-N 3.38Å; V100-C104 PolarHBondContact O-SG 2.85Å; N102-C104 VanDerWaalsContact C-N 3.32Å; N102-C104 PolarHBondContact O-N 2.98Å; C104-V110 WeakPolarHBondContact O-CG2 3.31Å; C104-N592 HydrophobicContact CB-CB 4Å; C104-N592 WeakPolarHBondContact CB-O 3.24Å; C104-R593 WeakPolarHBondContact O-CA 3.44Å
105	R	85.6	Confident	87.6	Confident	136 Å²	136	58.9 Å²	58.9	51%	0.513	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.8	174.4	-60.2	169.9	63.8	-163.5	-4.1	113.3	N102 L103 D107	N102-R105 WeakPolarHBondContact O-CB 3.44Å; N102-R105 PolarHBondContact O-N 3.38Å; N102-R105 VanDerWaalsContact O-N 3.1Å; N102-R105 PolarHBondContact OD1-NH1 3.01Å; L103-R105 PolarHBondContact O-N 2.87Å; L103-R105 VanDerWaalsContact O-N 3.1Å; R105-D107 PolarHBondContact O-N 3.39Å
106	I	87	Confident	87.2	Confident	83 Å²	83	57.5 Å²	57.5	43%	0.426	29%	0.287	S	S	.	.			trans	-88.2	97.2	-177.4	-55.7	175	0	0	0	107	L103 I108 L109 V110	L103-I106 HydrophobicContact CD2-CD1 4.17Å; L103-I106 PolarHBondContact O-N 2.76Å; I106-I108 VanDerWaalsContact C-N 3.27Å; I106-I108 PolarHBondContact O-N 3.1Å; I106-L109 HydrophobicContact CB-CB 3.84Å; I106-L109 HydrophobicContact CG2-CB 3.81Å; I106-L109 WeakPolarHBondContact O-CA 3.37Å; I106-L109 WeakPolarHBondContact O-CB 3.46Å; I106-L109 PolarHBondContact O-N 3.28Å; I106-V110 PolarHBondContact O-N 2.82Å
107	D	84.7	Confident	86.8	Confident	77 Å²	77	56 Å²	56	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-49.7	-46.7	-175.7	-69.8	-47.6	0	0	0	112.7	R105 L109 V110 E111 R593	R105-D107 PolarHBondContact O-N 3.39Å; D107-L109 VanDerWaalsContact C-N 3.28Å; D107-L109 PolarHBondContact O-N 2.99Å; D107-V110 PolarHBondContact O-N 3Å; D107-V110 VanDerWaalsContact O-N 3.17Å; D107-E111 WeakPolarHBondContact O-CB 3.32Å; D107-E111 WeakPolarHBondContact O-CG 3.35Å; D107-E111 PolarHBondContact O-N 2.89Å; D107-R593 IonicContact OD1-CZ 2.75Å; D107-R593 IonicContact OD1-NE 2.73Å; D107-R593 PolarHBondContact OD1-NE 2.86Å; D107-R593 IonicContact OD1-NH2 3.16Å; D107-R593 PolarHBondContact OD1-NH2 2.97Å
108	I	85.5	Confident	86.4	Confident	115 Å²	115	60.6 Å²	60.6	59%	0.59	30%	0.304	S	S	*	.	H	α-helix	trans	-59.8	-38	178.3	-58.7	174.4	0	0	0	111.8	I106 K112	I106-I108 VanDerWaalsContact C-N 3.27Å; I106-I108 PolarHBondContact O-N 3.1Å; I108-K112 HydrophobicContact CG2-CD 4.45Å; I108-K112 WeakPolarHBondContact O-CB 3.1Å; I108-K112 PolarHBondContact O-N 2.69Å
109	L	85.4	Confident	86.2	Confident	46 Å²	46	64.1 Å²	64.1	24%	0.241	32%	0.322	C	S	.	.	H	α-helix	trans	-68.6	-42.7	178.5	-175.5	152.8	0	0	0	110.6	L103 I106 D107 N113 L116 F137	L103-L109 HydrophobicContact CB-CD1 4.31Å; L103-L109 HydrophobicContact CD2-CD1 4.02Å; I106-L109 HydrophobicContact CB-CB 3.84Å; I106-L109 HydrophobicContact CG2-CB 3.81Å; I106-L109 WeakPolarHBondContact O-CA 3.37Å; I106-L109 WeakPolarHBondContact O-CB 3.46Å; I106-L109 PolarHBondContact O-N 3.28Å; D107-L109 VanDerWaalsContact C-N 3.28Å; D107-L109 PolarHBondContact O-N 2.99Å; L109-N113 VanDerWaalsContact O-CA 3.27Å; L109-N113 WeakPolarHBondContact O-CA 3.33Å; L109-N113 WeakPolarHBondContact O-CB 3.12Å; L109-N113 PolarHBondContact O-N 3.01Å; L109-L116 HydrophobicContact CB-CD1 4.47Å; L109-L116 HydrophobicContact CG-CD1 4.49Å; L109-F137 HydrophobicContact CD2-CE2 4.45Å; L109-F137 HydrophobicContact CD2-CZ 4.03Å
110	V	82.6	Confident	86	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-73.2	-39.6	-179	176.6	0	0	0	0	112	C104 I106 D107 N113 Q590 R593	C104-V110 WeakPolarHBondContact O-CG2 3.31Å; I106-V110 PolarHBondContact O-N 2.82Å; D107-V110 PolarHBondContact O-N 3Å; D107-V110 VanDerWaalsContact O-N 3.17Å; V110-N113 PolarHBondContact O-ND2 3.38Å; V110-Q590 HydrophobicContact CG1-CB 4.26Å; V110-Q590 HydrophobicContact CG1-CG 3.65Å; V110-R593 HydrophobicContact CG1-CB 4.38Å; V110-R593 HydrophobicContact CG1-CG 4.36Å
111	E	81.2	Confident	85.8	Confident	115 Å²	115	64.4 Å²	64.4	54%	0.537	33%	0.325	S	S	.	.	H	α-helix	trans	-74.4	-42.7	-179.9	-71.4	177.5	172	0	0	112.5	D107 N113 R593	D107-E111 WeakPolarHBondContact O-CB 3.32Å; D107-E111 WeakPolarHBondContact O-CG 3.35Å; D107-E111 PolarHBondContact O-N 2.89Å; E111-N113 VanDerWaalsContact C-N 3.32Å; E111-N113 PolarHBondContact O-N 2.74Å; E111-R593 IonicContact OE1-CZ 3.69Å; E111-R593 IonicContact OE1-NH1 3.05Å; E111-R593 PolarHBondContact OE1-NH1 3.27Å; E111-R593 IonicContact OE1-NH2 2.98Å; E111-R593 PolarHBondContact OE1-NH2 3.08Å
112	K	84.3	Confident	85.9	Confident	139 Å²	139	72.9 Å²	72.9	60%	0.604	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	20.5	-178.2	-58.1	-170.6	177.2	-177.1	0	113.1	I108 K114 G115 L116	I108-K112 HydrophobicContact CG2-CD 4.45Å; I108-K112 WeakPolarHBondContact O-CB 3.1Å; I108-K112 PolarHBondContact O-N 2.69Å; K112-K114 PolarHBondContact O-N 2.95Å; K112-G115 PolarHBondContact O-N 3.39Å; K112-L116 HydrophobicContact CB-CD1 4.26Å; K112-L116 HydrophobicContact CB-CG 4.34Å; K112-L116 WeakPolarHBondContact O-CG 3.18Å; K112-L116 PolarHBondContact O-N 2.77Å
113	N	83.3	Confident	86.2	Confident	10 Å²	10	76.1 Å²	76.1	5%	0.053	38%	0.378	C	S	.	.	H	α-helix	trans	-56.5	-41.2	-168.2	72.8	53.8	0	0	0	113.9	L109 V110 E111 L116 M117 S586	L109-N113 VanDerWaalsContact O-CA 3.27Å; L109-N113 WeakPolarHBondContact O-CA 3.33Å; L109-N113 WeakPolarHBondContact O-CB 3.12Å; L109-N113 PolarHBondContact O-N 3.01Å; V110-N113 PolarHBondContact O-ND2 3.38Å; E111-N113 VanDerWaalsContact C-N 3.32Å; E111-N113 PolarHBondContact O-N 2.74Å; N113-L116 PolarHBondContact O-N 3.06Å; N113-M117 HydrophobicContact CB-CE 3.89Å; N113-M117 WeakPolarHBondContact O-CB 3.03Å; N113-M117 WeakPolarHBondContact O-CE 3.49Å; N113-M117 WeakPolarHBondContact O-CG 3.33Å; N113-M117 PolarHBondContact O-N 3.36Å; N113-M117 WeakPolarHBondContact OD1-CE 3.26Å; N113-S586 PolarHBondContact ND2-OG 3.01Å; N113-S586 VanDerWaalsContact OD1-CB 3.27Å; N113-S586 WeakPolarHBondContact OD1-CB 3.46Å; N113-S586 PolarHBondContact OD1-OG 3.01Å
114	K	79.3	Confident	86.3	Confident	95 Å²	95	77.6 Å²	77.6	41%	0.413	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-52.4	177.9	-73.5	-160.7	173.6	-159	0	111.5	K112 L116 M117 E118 D173	K112-K114 PolarHBondContact O-N 2.95Å; K114-L116 VanDerWaalsContact C-N 3.32Å; K114-L116 PolarHBondContact O-N 3.2Å; K114-M117 PolarHBondContact O-N 3.14Å; K114-E118 PolarHBondContact O-N 2.9Å; K114-D173 IonicContact NZ-OD1 3.75Å; K114-D173 PolarHBondContact NZ-OD1 2.94Å
115	G	83.1	Confident	86.6	Confident	52 Å²	52	79.2 Å²	79.2	54%	0.536	40%	0.403	S	S	.	.	H	α-helix	trans	-64.3	-34.7	179.4	0	0	0	0	0	113.2	K112 L119	K112-G115 PolarHBondContact O-N 3.39Å; G115-L119 VanDerWaalsContact O-CB 3.29Å; G115-L119 WeakPolarHBondContact O-CB 3.2Å; G115-L119 PolarHBondContact O-N 2.76Å
116	L	86.6	Confident	86.8	Confident	67 Å²	67	76 Å²	76	35%	0.351	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-38.7	173.9	-70.3	171.8	0	0	0	112.6	L109 K112 N113 K114 S120	L109-L116 HydrophobicContact CB-CD1 4.47Å; L109-L116 HydrophobicContact CG-CD1 4.49Å; K112-L116 HydrophobicContact CB-CD1 4.26Å; K112-L116 HydrophobicContact CB-CG 4.34Å; K112-L116 WeakPolarHBondContact O-CG 3.18Å; K112-L116 PolarHBondContact O-N 2.77Å; N113-L116 PolarHBondContact O-N 3.06Å; K114-L116 VanDerWaalsContact C-N 3.32Å; K114-L116 PolarHBondContact O-N 3.2Å; L116-S120 VanDerWaalsContact O-CB 3.28Å; L116-S120 WeakPolarHBondContact O-CB 3.42Å; L116-S120 PolarHBondContact O-N 2.66Å; L116-S120 PolarHBondContact O-OG 2.91Å
117	M	86.4	Confident	87	Confident	24 Å²	24	82.7 Å²	82.7	12%	0.118	41%	0.414	C	S	.	.	H	α-helix	trans	-66.3	-45.7	175.2	-78	-174.9	-91.9	0	0	111.5	N113 K114 L119 S120 K121 F129 M133 I582	N113-M117 HydrophobicContact CB-CE 3.89Å; N113-M117 WeakPolarHBondContact O-CB 3.03Å; N113-M117 WeakPolarHBondContact O-CE 3.49Å; N113-M117 WeakPolarHBondContact O-CG 3.33Å; N113-M117 PolarHBondContact O-N 3.36Å; N113-M117 WeakPolarHBondContact OD1-CE 3.26Å; K114-M117 PolarHBondContact O-N 3.14Å; M117-L119 PolarHBondContact O-N 3.02Å; M117-S120 PolarHBondContact O-N 3.48Å; M117-K121 VanDerWaalsContact O-CB 3.28Å; M117-K121 WeakPolarHBondContact O-CB 3.42Å; M117-K121 PolarHBondContact O-N 3.37Å; M117-F129 HydrophobicContact CB-CE2 4.19Å; M117-F129 HydrophobicContact CB-CZ 4.17Å; M117-F129 HydrophobicContact CG-CE2 4.29Å; M117-F129 HydrophobicContact CG-CZ 4.32Å; M117-M133 HydrophobicContact SD-CE 3.94Å; M117-I582 HydrophobicContact CE-CG2 3.91Å; M117-I582 HydrophobicContact SD-CG1 4.37Å; M117-I582 HydrophobicContact SD-CG2 3.83Å
118	E	85.7	Confident	87.4	Confident	100 Å²	100	83.5 Å²	83.5	47%	0.467	42%	0.417	S	S	.	.	H	α-helix	trans	-63.2	-41.9	175.7	-73.1	-53.7	122.4	0	0	112.7	K114 S120 K121 K122	K114-E118 PolarHBondContact O-N 2.9Å; E118-S120 PolarHBondContact O-N 3.38Å; E118-K121 PolarHBondContact O-N 3.33Å; E118-K122 WeakPolarHBondContact O-CB 3.32Å; E118-K122 PolarHBondContact O-N 2.7Å
119	L	89.1	Confident	87.8	Confident	90 Å²	90	78.1 Å²	78.1	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-62.7	-43.4	173.7	-179.3	62.5	0	0	0	111.7	G115 M117 K122 L123	G115-L119 VanDerWaalsContact O-CB 3.29Å; G115-L119 WeakPolarHBondContact O-CB 3.2Å; G115-L119 PolarHBondContact O-N 2.76Å; M117-L119 PolarHBondContact O-N 3.02Å; L119-K122 PolarHBondContact O-N 3.07Å; L119-L123 HydrophobicContact CD1-CD1 3.9Å; L119-L123 HydrophobicContact CD1-CG 4.1Å; L119-L123 HydrophobicContact CG-CD1 3.87Å; L119-L123 HydrophobicContact CG-CG 4.43Å; L119-L123 WeakPolarHBondContact O-CB 3.39Å; L119-L123 VanDerWaalsContact O-CG 3.28Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 3.23Å
120	S	88.6	Confident	88.1	Confident	40 Å²	40	78.1 Å²	78.1	28%	0.28	39%	0.388	S	S	.	.	H	α-helix	trans	-63.7	-42.5	178.1	-60	0	0	0	0	111.6	L116 M117 E118 L123 L124	L116-S120 VanDerWaalsContact O-CB 3.28Å; L116-S120 WeakPolarHBondContact O-CB 3.42Å; L116-S120 PolarHBondContact O-N 2.66Å; L116-S120 PolarHBondContact O-OG 2.91Å; M117-S120 PolarHBondContact O-N 3.48Å; E118-S120 PolarHBondContact O-N 3.38Å; S120-L123 PolarHBondContact O-N 2.87Å; S120-L124 WeakPolarHBondContact O-CB 3.29Å; S120-L124 VanDerWaalsContact O-CG 3.3Å; S120-L124 WeakPolarHBondContact O-CG 3.42Å; S120-L124 PolarHBondContact O-N 2.75Å
121	K	89.3	Confident	88.6	Confident	52 Å²	52	84.6 Å²	84.6	23%	0.226	42%	0.416	C	S	.	.	H	α-helix	trans	-63.6	-40.5	175.7	176.7	168.7	162.7	170.4	0	112	M117 E118 G125 F129 N579	M117-K121 VanDerWaalsContact O-CB 3.28Å; M117-K121 WeakPolarHBondContact O-CB 3.42Å; M117-K121 PolarHBondContact O-N 3.37Å; E118-K121 PolarHBondContact O-N 3.33Å; K121-G125 VanDerWaalsContact O-CA 3.25Å; K121-G125 WeakPolarHBondContact O-CA 3.47Å; K121-G125 PolarHBondContact O-N 3.21Å; K121-F129 HydrophobicContact CB-CB 4.43Å; K121-F129 HydrophobicContact CB-CD1 4.19Å; K121-F129 HydrophobicContact CB-CD2 4.03Å; K121-F129 HydrophobicContact CB-CE1 4.49Å; K121-F129 HydrophobicContact CB-CE2 4.34Å; K121-F129 HydrophobicContact CB-CG 3.94Å; K121-F129 HydrophobicContact CD-CD1 4.31Å; K121-F129 HydrophobicContact CD-CE1 4.33Å; K121-F129 HydrophobicContact CG-CD1 4.34Å; K121-F129 HydrophobicContact CG-CG 4.45Å; K121-N579 PolarHBondContact NZ-OD1 2.84Å
122	K	91.8	Very high	89.2	Confident	183 Å²	183	83 Å²	83	80%	0.796	41%	0.411	S	S	*	.	H	α-helix	trans	-67.3	-37.1	174.6	-172.5	175.5	-178.5	177.5	0	113.4	E118 L119	E118-K122 WeakPolarHBondContact O-CB 3.32Å; E118-K122 PolarHBondContact O-N 2.7Å; L119-K122 PolarHBondContact O-N 3.07Å
123	L	93.8	Very high	89.6	Confident	132 Å²	132	76.9 Å²	76.9	69%	0.691	39%	0.385	S	S	*	.	H	α-helix	trans	-82.4	-43	-178.4	-70.8	173.9	0	0	0	113.5	L119 S120	L119-L123 HydrophobicContact CD1-CD1 3.9Å; L119-L123 HydrophobicContact CD1-CG 4.1Å; L119-L123 HydrophobicContact CG-CD1 3.87Å; L119-L123 HydrophobicContact CG-CG 4.43Å; L119-L123 WeakPolarHBondContact O-CB 3.39Å; L119-L123 VanDerWaalsContact O-CG 3.28Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 3.23Å; S120-L123 PolarHBondContact O-N 2.87Å
124	L	92.1	Very high	90.1	Very high	73 Å²	73	79.9 Å²	79.9	38%	0.382	40%	0.398	S	S	.	.	H	α-helix	trans	-88.5	-20.3	-175.6	-59.7	176.6	0	0	0	112.8	S120 L128 L132	S120-L124 WeakPolarHBondContact O-CB 3.29Å; S120-L124 VanDerWaalsContact O-CG 3.3Å; S120-L124 WeakPolarHBondContact O-CG 3.42Å; S120-L124 PolarHBondContact O-N 2.75Å; L124-L128 HydrophobicContact CB-CB 4.13Å; L124-L128 HydrophobicContact CB-CD2 4.07Å; L124-L128 HydrophobicContact CB-CG 4.11Å; L124-L128 HydrophobicContact CD2-CD2 3.92Å; L124-L128 HydrophobicContact CG-CD2 4.48Å; L124-L128 WeakPolarHBondContact O-CB 3.42Å; L124-L132 HydrophobicContact CD1-CD2 4.09Å
125	G	92.8	Very high	90.7	Very high	34 Å²	34	81.2 Å²	81.2	35%	0.351	41%	0.407	S	S	.	.			trans	73.7	160.7	-168.3	0	0	0	0	0	112.9	K121 R127 L128 F129	K121-G125 VanDerWaalsContact O-CA 3.25Å; K121-G125 WeakPolarHBondContact O-CA 3.47Å; K121-G125 PolarHBondContact O-N 3.21Å; G125-R127 PolarHBondContact O-N 2.89Å; G125-L128 PolarHBondContact O-N 3.19Å; G125-F129 WeakPolarHBondContact O-CB 3.43Å; G125-F129 PolarHBondContact O-N 3.48Å
126	Q	90.1	Very high	91.2	Very high	68 Å²	68	79.6 Å²	79.6	32%	0.318	39%	0.386	S	S	.	.	H	α-helix	trans	-52.2	-51.7	-169.6	-169.8	61.6	32.2	0	0	113.9	L128 F129 E130 N579	Q126-L128 PolarHBondContact O-N 2.92Å; Q126-F129 PolarHBondContact O-N 2.88Å; Q126-E130 PolarHBondContact NE2-OE1 3.03Å; Q126-E130 WeakPolarHBondContact O-CG 3.09Å; Q126-E130 PolarHBondContact O-N 2.95Å; Q126-N579 VanDerWaalsContact NE2-CG 3.32Å; Q126-N579 PolarHBondContact NE2-ND2 3.14Å; Q126-N579 PolarHBondContact NE2-OD1 3.38Å
127	R	92.4	Very high	91.4	Very high	225 Å²	225	77.4 Å²	77.4	85%	0.849	37%	0.374	S	S	*	.	H	α-helix	trans	-63.8	-40.3	-173.9	-67.1	-179.5	178	169.5	-0.8	113.2	G125 K131	G125-R127 PolarHBondContact O-N 2.89Å; R127-K131 WeakPolarHBondContact O-CB 3.23Å; R127-K131 PolarHBondContact O-N 3.48Å; R127-K131 VanDerWaalsContact O-N 3.15Å
128	L	93.2	Very high	91.7	Very high	93 Å²	93	76.7 Å²	76.7	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-78.2	-36.3	-178.7	-177.8	58.1	0	0	0	111	L124 G125 Q126 K131 L132	L124-L128 HydrophobicContact CB-CB 4.13Å; L124-L128 HydrophobicContact CB-CD2 4.07Å; L124-L128 HydrophobicContact CB-CG 4.11Å; L124-L128 HydrophobicContact CD2-CD2 3.92Å; L124-L128 HydrophobicContact CG-CD2 4.48Å; L124-L128 WeakPolarHBondContact O-CB 3.42Å; G125-L128 PolarHBondContact O-N 3.19Å; Q126-L128 PolarHBondContact O-N 2.92Å; L128-K131 PolarHBondContact O-N 2.81Å; L128-L132 WeakPolarHBondContact O-CB 3.29Å; L128-L132 PolarHBondContact O-N 2.89Å
129	F	92.4	Very high	92	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.009	36%	0.356	C	S	.	.	H	α-helix	trans	-58.9	-51.1	170.4	173.5	-100.5	0	0	0	111.8	M117 K121 G125 Q126 K131 L132 M133 V578 I582	M117-F129 HydrophobicContact CB-CE2 4.19Å; M117-F129 HydrophobicContact CB-CZ 4.17Å; M117-F129 HydrophobicContact CG-CE2 4.29Å; M117-F129 HydrophobicContact CG-CZ 4.32Å; K121-F129 HydrophobicContact CB-CB 4.43Å; K121-F129 HydrophobicContact CB-CD1 4.19Å; K121-F129 HydrophobicContact CB-CD2 4.03Å; K121-F129 HydrophobicContact CB-CE1 4.49Å; K121-F129 HydrophobicContact CB-CE2 4.34Å; K121-F129 HydrophobicContact CB-CG 3.94Å; K121-F129 HydrophobicContact CD-CD1 4.31Å; K121-F129 HydrophobicContact CD-CE1 4.33Å; K121-F129 HydrophobicContact CG-CD1 4.34Å; K121-F129 HydrophobicContact CG-CG 4.45Å; G125-F129 WeakPolarHBondContact O-CB 3.43Å; G125-F129 PolarHBondContact O-N 3.48Å; Q126-F129 PolarHBondContact O-N 2.88Å; F129-K131 VanDerWaalsContact C-N 3.32Å; F129-K131 PolarHBondContact O-N 3.32Å; F129-L132 WeakPolarHBondContact O-CB 3.46Å; F129-L132 PolarHBondContact O-N 3.26Å; F129-M133 HydrophobicContact CD1-CG 4.36Å; F129-M133 HydrophobicContact CD2-CG 4.32Å; F129-M133 HydrophobicContact CE1-CG 3.94Å; F129-M133 HydrophobicContact CE2-CG 3.91Å; F129-M133 HydrophobicContact CE2-SD 4.15Å; F129-M133 HydrophobicContact CZ-CG 3.7Å; F129-M133 HydrophobicContact CZ-SD 4.14Å; F129-M133 WeakPolarHBondContact O-CG 3.36Å; F129-M133 PolarHBondContact O-N 2.98Å; F129-V578 HydrophobicContact CE1-CG1 4.45Å; F129-I582 HydrophobicContact CE1-CD1 4.26Å; F129-I582 HydrophobicContact CZ-CD1 4.23Å
130	E	92.4	Very high	92.2	Very high	46 Å²	46	68.7 Å²	68.7	22%	0.215	34%	0.335	C	S	.	.	H	α-helix	trans	-58.8	-42.6	177	-75.4	173.9	179.8	0	0	112.3	Q126 M133 K134 V578	Q126-E130 PolarHBondContact NE2-OE1 3.03Å; Q126-E130 WeakPolarHBondContact O-CG 3.09Å; Q126-E130 PolarHBondContact O-N 2.95Å; E130-M133 PolarHBondContact O-N 3.08Å; E130-K134 WeakPolarHBondContact O-CB 3.43Å; E130-K134 VanDerWaalsContact O-CG 3.31Å; E130-K134 WeakPolarHBondContact O-CG 3.47Å; E130-K134 PolarHBondContact O-N 3.36Å; E130-V578 HydrophobicContact CB-CG2 4.48Å; E130-V578 HydrophobicContact CG-CB 4.11Å; E130-V578 HydrophobicContact CG-CG1 4.23Å; E130-V578 HydrophobicContact CG-CG2 4.27Å
131	K	93.4	Very high	92.4	Very high	136 Å²	136	66.8 Å²	66.8	59%	0.591	32%	0.322	S	S	*	.	H	α-helix	trans	-61.8	-44.5	176.1	-172.7	176.5	179.9	-180	0	111.7	R127 L128 F129 K134 M135	R127-K131 WeakPolarHBondContact O-CB 3.23Å; R127-K131 PolarHBondContact O-N 3.48Å; R127-K131 VanDerWaalsContact O-N 3.15Å; L128-K131 PolarHBondContact O-N 2.81Å; F129-K131 VanDerWaalsContact C-N 3.32Å; F129-K131 PolarHBondContact O-N 3.32Å; K131-K134 PolarHBondContact O-N 3.14Å; K131-M135 HydrophobicContact CG-SD 4.16Å; K131-M135 WeakPolarHBondContact O-CB 3.38Å; K131-M135 VanDerWaalsContact O-CG 3.28Å; K131-M135 WeakPolarHBondContact O-CG 3.48Å; K131-M135 PolarHBondContact O-N 3.39Å
132	L	93.5	Very high	92.6	Very high	82 Å²	82	64.5 Å²	64.5	43%	0.429	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-45.3	175.8	-173.5	79.3	0	0	0	111.3	L124 L128 F129 M135 T136	L124-L132 HydrophobicContact CD1-CD2 4.09Å; L128-L132 WeakPolarHBondContact O-CB 3.29Å; L128-L132 PolarHBondContact O-N 2.89Å; F129-L132 WeakPolarHBondContact O-CB 3.46Å; F129-L132 PolarHBondContact O-N 3.26Å; L132-M135 PolarHBondContact O-N 2.8Å; L132-T136 WeakPolarHBondContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CG2 3.5Å; L132-T136 PolarHBondContact O-N 3.11Å; L132-T136 VanDerWaalsContact O-N 3.12Å; L132-T136 PolarHBondContact O-OG1 3.29Å
133	M	92.3	Very high	92.6	Very high	11 Å²	11	56.7 Å²	56.7	5%	0.054	28%	0.282	C	S	.	.	H	α-helix	trans	-62.7	-48.3	177.9	-69.9	-59	-71.3	0	0	111.3	M117 F129 E130 M135 T136 F137 Y138 G139 V578 L585	M117-M133 HydrophobicContact SD-CE 3.94Å; F129-M133 HydrophobicContact CD1-CG 4.36Å; F129-M133 HydrophobicContact CD2-CG 4.32Å; F129-M133 HydrophobicContact CE1-CG 3.94Å; F129-M133 HydrophobicContact CE2-CG 3.91Å; F129-M133 HydrophobicContact CE2-SD 4.15Å; F129-M133 HydrophobicContact CZ-CG 3.7Å; F129-M133 HydrophobicContact CZ-SD 4.14Å; F129-M133 WeakPolarHBondContact O-CG 3.36Å; F129-M133 PolarHBondContact O-N 2.98Å; E130-M133 PolarHBondContact O-N 3.08Å; M133-M135 PolarHBondContact O-N 3.12Å; M133-T136 CarbonylContact O-C 3.33Å; M133-T136 PolarHBondContact O-N 2.75Å; M133-T136 PolarHBondContact O-OG1 2.8Å; M133-F137 HydrophobicContact CE-CB 4.21Å; M133-F137 PolarHBondContact O-N 3.44Å; M133-Y138 VanDerWaalsContact O-CB 3.28Å; M133-Y138 WeakPolarHBondContact O-CB 3.19Å; M133-Y138 PolarHBondContact O-N 3.13Å; M133-G139 PolarHBondContact O-N 3.31Å; M133-V578 HydrophobicContact CB-CG1 3.87Å; M133-V578 HydrophobicContact CG-CG1 4.19Å; M133-L585 HydrophobicContact CE-CD1 3.59Å
134	K	93.1	Very high	92.5	Very high	73 Å²	73	50.8 Å²	50.8	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-30.9	176.3	-72.6	174.7	-175.8	177.7	0	112.6	E130 K131 Y138 G139 E145 V578	E130-K134 WeakPolarHBondContact O-CB 3.43Å; E130-K134 VanDerWaalsContact O-CG 3.31Å; E130-K134 WeakPolarHBondContact O-CG 3.47Å; E130-K134 PolarHBondContact O-N 3.36Å; K131-K134 PolarHBondContact O-N 3.14Å; K134-Y138 HydrophobicContact CG-CD1 3.82Å; K134-Y138 HydrophobicContact CG-CE1 4.18Å; K134-Y138 HydrophobicContact CG-CG 4.45Å; K134-G139 WeakPolarHBondContact O-CA 3.46Å; K134-E145 VanDerWaalsContact CE-CD 3.5Å; K134-E145 WeakPolarHBondContact CE-OE1 3.26Å; K134-E145 IonicContact NZ-OE1 3.43Å; K134-E145 PolarHBondContact NZ-OE1 2.94Å; K134-E145 IonicContact NZ-OE2 3.49Å; K134-E145 PolarHBondContact NZ-OE2 2.84Å; K134-V578 HydrophobicContact CD-CG2 4.43Å; K134-V578 VanDerWaalsContact CE-CG2 3.45Å; K134-V578 HydrophobicContact CG-CG2 4.18Å
135	M	93.1	Very high	92.5	Very high	122 Å²	122	50.3 Å²	50.3	60%	0.601	25%	0.248	S	C	*	.	H	α-helix	trans	-79.2	-13.6	173	-70.8	177	66	0	0	114.3	R96 K131 L132 M133	R96-M135 VanDerWaalsContact CD-O 3.28Å; R96-M135 WeakPolarHBondContact CD-O 3.43Å; R96-M135 WeakPolarHBondContact CG-O 3.41Å; K131-M135 HydrophobicContact CG-SD 4.16Å; K131-M135 WeakPolarHBondContact O-CB 3.38Å; K131-M135 VanDerWaalsContact O-CG 3.28Å; K131-M135 WeakPolarHBondContact O-CG 3.48Å; K131-M135 PolarHBondContact O-N 3.39Å; L132-M135 PolarHBondContact O-N 2.8Å; M133-M135 PolarHBondContact O-N 3.12Å
136	T	93.4	Very high	92.3	Very high	18 Å²	18	52 Å²	52	11%	0.11	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-113.7	-173.8	59.7	0	0	0	0	112	L99 L132 M133 Y138 G139 Q140	L99-T136 HydrophobicContact CD2-CG2 4.14Å; L132-T136 WeakPolarHBondContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CG2 3.5Å; L132-T136 PolarHBondContact O-N 3.11Å; L132-T136 VanDerWaalsContact O-N 3.12Å; L132-T136 PolarHBondContact O-OG1 3.29Å; M133-T136 CarbonylContact O-C 3.33Å; M133-T136 PolarHBondContact O-N 2.75Å; M133-T136 PolarHBondContact O-OG1 2.8Å; T136-Y138 PolarHBondContact O-N 3.41Å; T136-G139 PolarHBondContact O-N 2.9Å; T136-Q140 PolarHBondContact O-N 3.2Å; T136-Q140 VanDerWaalsContact O-N 3.07Å
137	F	90.5	Very high	92	Very high	22 Å²	22	51.7 Å²	51.7	10%	0.096	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-43.6	-171	-77	-93.7	0	0	0	113.3	V100 L103 L109 M133 Q140 F141 L585 A589	V100-F137 HydrophobicContact CG1-CD1 3.88Å; V100-F137 HydrophobicContact CG1-CE1 3.94Å; V100-F137 HydrophobicContact CG1-CG 4.33Å; V100-F137 HydrophobicContact CG1-CZ 4.45Å; L103-F137 HydrophobicContact CB-CE2 4.01Å; L103-F137 HydrophobicContact CB-CZ 3.76Å; L103-F137 HydrophobicContact CD1-CE2 3.76Å; L103-F137 HydrophobicContact CD1-CZ 4.37Å; L109-F137 HydrophobicContact CD2-CE2 4.45Å; L109-F137 HydrophobicContact CD2-CZ 4.03Å; M133-F137 HydrophobicContact CE-CB 4.21Å; M133-F137 PolarHBondContact O-N 3.44Å; F137-Q140 PolarHBondContact O-N 3.36Å; F137-F141 HydrophobicContact CD1-CD2 4.43Å; F137-F141 HydrophobicContact CD1-CE2 4.06Å; F137-F141 WeakPolarHBondContact O-CD2 3.36Å; F137-F141 PolarHBondContact O-N 2.78Å; F137-F141 VanDerWaalsContact O-N 3.1Å; F137-L585 HydrophobicContact CB-CD2 4.44Å; F137-L585 WeakPolarHBondContact O-CD2 3.42Å; F137-A589 HydrophobicContact CD1-CB 4.36Å; F137-A589 HydrophobicContact CE1-CB 3.81Å
138	Y	92.6	Very high	91.8	Very high	9 Å²	9	46 Å²	46	4%	0.035	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-52.7	178.7	-178.7	-80	0	0	0	109.8	M133 K134 T136 Q140 F141 V142 G144 E145 G576 V578 V581 L585	M133-Y138 VanDerWaalsContact O-CB 3.28Å; M133-Y138 WeakPolarHBondContact O-CB 3.19Å; M133-Y138 PolarHBondContact O-N 3.13Å; K134-Y138 HydrophobicContact CG-CD1 3.82Å; K134-Y138 HydrophobicContact CG-CE1 4.18Å; K134-Y138 HydrophobicContact CG-CG 4.45Å; T136-Y138 PolarHBondContact O-N 3.41Å; Y138-Q140 PolarHBondContact O-N 3.2Å; Y138-Q140 VanDerWaalsContact O-N 3.12Å; Y138-F141 PolarHBondContact O-N 3.29Å; Y138-V142 HydrophobicContact CD1-CB 4.3Å; Y138-V142 HydrophobicContact CD2-CB 4.02Å; Y138-V142 HydrophobicContact CD2-CG1 4.16Å; Y138-V142 HydrophobicContact CD2-CG2 4.28Å; Y138-V142 HydrophobicContact CE1-CB 4.24Å; Y138-V142 HydrophobicContact CE1-CG1 4.1Å; Y138-V142 HydrophobicContact CE2-CB 3.97Å; Y138-V142 HydrophobicContact CE2-CG1 3.58Å; Y138-V142 HydrophobicContact CE2-CG2 4.46Å; Y138-V142 HydrophobicContact CG-CB 4.18Å; Y138-V142 WeakPolarHBondContact O-CA 3.38Å; Y138-V142 WeakPolarHBondContact O-CB 3.5Å; Y138-V142 PolarHBondContact O-N 3.02Å; Y138-G144 PolarHBondContact OH-O 3.36Å; Y138-E145 WeakPolarHBondContact OH-CA 3.36Å; Y138-E145 WeakPolarHBondContact OH-CG 3.31Å; Y138-E145 PolarHBondContact OH-N 3.37Å; Y138-G576 WeakPolarHBondContact CE2-O 3.35Å; Y138-G576 PolarHBondContact OH-O 3.37Å; Y138-V578 HydrophobicContact CD2-CB 4.19Å; Y138-V578 HydrophobicContact CD2-CG1 4.25Å; Y138-V578 HydrophobicContact CD2-CG2 3.8Å; Y138-V578 HydrophobicContact CE1-CG2 4.48Å; Y138-V578 HydrophobicContact CE2-CB 4.21Å; Y138-V578 HydrophobicContact CE2-CG2 3.71Å; Y138-V578 HydrophobicContact CG-CG2 4.23Å; Y138-V581 HydrophobicContact CD2-CG2 3.58Å; Y138-V581 HydrophobicContact CE2-CG2 3.52Å; Y138-L585 HydrophobicContact CD2-CD1 4.21Å
139	G	92.9	Very high	91.7	Very high	17 Å²	17	43.7 Å²	43.7	18%	0.175	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-16.1	-180	0	0	0	0	0	114.9	R96 M133 K134 T136	R96-G139 VanDerWaalsContact CZ-C 3.47Å; R96-G139 PolarHBondContact NE-O 3.44Å; R96-G139 PolarHBondContact NH1-O 3.49Å; R96-G139 VanDerWaalsContact NH1-O 3.1Å; R96-G139 PolarHBondContact NH2-O 2.88Å; M133-G139 PolarHBondContact O-N 3.31Å; K134-G139 WeakPolarHBondContact O-CA 3.46Å; T136-G139 PolarHBondContact O-N 2.9Å
140	Q	93.4	Very high	91.6	Very high	5 Å²	5	43.6 Å²	43.6	2%	0.023	23%	0.228	C	C	.	.	H	α-helix	trans	-82.5	-45.3	173.7	-175.3	65.9	14.4	0	0	112.3	S97 V100 T136 F137 Y138 G553	S97-Q140 PolarHBondContact OG-NE2 3.15Å; S97-Q140 PolarHBondContact OG-OE1 3.05Å; S97-Q140 VanDerWaalsContact OG-OE1 3.09Å; V100-Q140 HydrophobicContact CB-CB 4.48Å; V100-Q140 HydrophobicContact CB-CG 4.39Å; V100-Q140 HydrophobicContact CG1-CB 4.24Å; V100-Q140 HydrophobicContact CG1-CG 4.1Å; V100-Q140 HydrophobicContact CG2-CB 4.17Å; T136-Q140 PolarHBondContact O-N 3.2Å; T136-Q140 VanDerWaalsContact O-N 3.07Å; F137-Q140 PolarHBondContact O-N 3.36Å; Y138-Q140 PolarHBondContact O-N 3.2Å; Y138-Q140 VanDerWaalsContact O-N 3.12Å; Q140-G553 PolarHBondContact NE2-O 3.22Å; Q140-G553 WeakPolarHBondContact O-CA 3.37Å
141	F	92.4	Very high	91.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-111.2	-9.4	-167.8	-59.3	-62.6	0	0	0	114.7	V100 F101 F137 Y138 M554 P574 Y584 L585 R588	V100-F141 HydrophobicContact CG1-CE2 3.6Å; V100-F141 HydrophobicContact CG1-CZ 3.98Å; F101-F141 HydrophobicContact CE1-CZ 4.44Å; F137-F141 HydrophobicContact CD1-CD2 4.43Å; F137-F141 HydrophobicContact CD1-CE2 4.06Å; F137-F141 WeakPolarHBondContact O-CD2 3.36Å; F137-F141 PolarHBondContact O-N 2.78Å; F137-F141 VanDerWaalsContact O-N 3.1Å; Y138-F141 PolarHBondContact O-N 3.29Å; F141-M554 HydrophobicContact CD1-CG 4.48Å; F141-M554 HydrophobicContact CE1-CG 3.88Å; F141-M554 HydrophobicContact CE1-SD 4.44Å; F141-P574 VanDerWaalsContact O-CG 3.29Å; F141-P574 WeakPolarHBondContact O-CG 3.32Å; F141-Y584 HydrophobicContact CB-CE1 4.2Å; F141-L585 HydrophobicContact CB-CD2 3.91Å; F141-L585 HydrophobicContact CD2-CD2 4.25Å; F141-R588 HydrophobicContact CB-CG 4.24Å; F141-R588 HydrophobicContact CD1-CB 4.37Å; F141-R588 HydrophobicContact CD1-CG 4.38Å; F141-R588 HydrophobicContact CD2-CB 3.96Å; F141-R588 HydrophobicContact CE2-CB 4.21Å; F141-R588 HydrophobicContact CG-CB 4.04Å; F141-R588 HydrophobicContact CG-CG 4.16Å
142	V	92.6	Very high	91.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.024	23%	0.232	C	C	.	.			trans	-128.7	134.5	-177.3	-176.3	0	0	0	0	109	Y138 P574 V581 Y584 L585	Y138-V142 HydrophobicContact CD1-CB 4.3Å; Y138-V142 HydrophobicContact CD2-CB 4.02Å; Y138-V142 HydrophobicContact CD2-CG1 4.16Å; Y138-V142 HydrophobicContact CD2-CG2 4.28Å; Y138-V142 HydrophobicContact CE1-CB 4.24Å; Y138-V142 HydrophobicContact CE1-CG1 4.1Å; Y138-V142 HydrophobicContact CE2-CB 3.97Å; Y138-V142 HydrophobicContact CE2-CG1 3.58Å; Y138-V142 HydrophobicContact CE2-CG2 4.46Å; Y138-V142 HydrophobicContact CG-CB 4.18Å; Y138-V142 WeakPolarHBondContact O-CA 3.38Å; Y138-V142 WeakPolarHBondContact O-CB 3.5Å; Y138-V142 PolarHBondContact O-N 3.02Å; V142-P574 HydrophobicContact CG1-CB 4.46Å; V142-P574 HydrophobicContact CG2-CB 4.14Å; V142-V581 HydrophobicContact CG2-CB 4.46Å; V142-V581 HydrophobicContact CG2-CG2 4.11Å; V142-Y584 HydrophobicContact CG2-CD1 4.05Å; V142-Y584 HydrophobicContact CG2-CE1 4.1Å; V142-L585 HydrophobicContact CG2-CD2 3.77Å; V142-L585 HydrophobicContact CG2-CG 4.32Å
143	A	92.1	Very high	91.4	Very high	19 Å²	19	40.6 Å²	40.6	16%	0.157	22%	0.221	C	C	.	.			trans	-80.6	-32	-170.3	0	0	0	0	0	114.6	I150 L153 L552 V573 P574	A143-I150 HydrophobicContact CB-CB 4.19Å; A143-I150 HydrophobicContact CB-CG2 3.65Å; A143-L153 HydrophobicContact CB-CD2 3.43Å; A143-L153 VanDerWaalsContact CB-CD2 3.43Å; A143-L552 HydrophobicContact CB-CD2 4.05Å; A143-V573 HydrophobicContact CB-CG1 3.49Å; A143-V573 VanDerWaalsContact CB-CG1 3.49Å; A143-P574 PolarHBondContact N-O 3.46Å
144	G	92.2	Very high	91.3	Very high	7 Å²	7	40.2 Å²	40.2	7%	0.072	22%	0.219	C	C	.	.			trans	172	173	-172.9	0	0	0	0	0	111.7	Y138 Y575 G576	Y138-G144 PolarHBondContact OH-O 3.36Å; G144-Y575 WeakPolarHBondContact O-CA 3.3Å; G144-Y575 VanDerWaalsContact O-CB 3.3Å; G144-Y575 WeakPolarHBondContact O-CB 3.36Å; G144-G576 PolarHBondContact O-N 3.42Å
145	E	90.9	Very high	91.2	Very high	64 Å²	64	41.1 Å²	41.1	30%	0.299	23%	0.225	S	C	.	.	S	Bend	trans	-83.7	-26.6	-173.2	-66.3	174	130.5	0	0	112.6	K134 Y138 G576	K134-E145 VanDerWaalsContact CE-CD 3.5Å; K134-E145 WeakPolarHBondContact CE-OE1 3.26Å; K134-E145 IonicContact NZ-OE1 3.43Å; K134-E145 PolarHBondContact NZ-OE1 2.94Å; K134-E145 IonicContact NZ-OE2 3.49Å; K134-E145 PolarHBondContact NZ-OE2 2.84Å; Y138-E145 WeakPolarHBondContact OH-CA 3.36Å; Y138-E145 WeakPolarHBondContact OH-CG 3.31Å; Y138-E145 PolarHBondContact OH-N 3.37Å; E145-G576 CarbonylContact O-C 3.52Å; E145-G576 WeakPolarHBondContact O-CA 3.5Å
146	D	89.2	Confident	91.2	Very high	70 Å²	70	36.1 Å²	36.1	37%	0.374	20%	0.199	S	C	.	.	S	Bend	trans	-149.8	176	-174.8	65	61.1	0	0	0	112.2	N148 A149 I150	D146-N148 PolarHBondContact O-N 3.46Å; D146-N148 VanDerWaalsContact O-N 3.15Å; D146-N148 WeakPolarHBondContact OD1-CA 3.23Å; D146-N148 WeakPolarHBondContact OD1-CB 3.28Å; D146-N148 PolarHBondContact OD1-N 2.88Å; D146-A149 PolarHBondContact O-N 3.26Å; D146-A149 VanDerWaalsContact O-N 3.16Å; D146-A149 PolarHBondContact OD1-N 3.38Å; D146-I150 PolarHBondContact O-N 2.99Å
147	H	83.8	Confident	91.3	Very high	60 Å²	60	35.7 Å²	35.7	28%	0.278	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.2	-178.2	-49.8	104.8	0	0	0	115.5	I150 K151 A245 Y575	H147-I150 WeakPolarHBondContact O-CG1 3.49Å; H147-K151 WeakPolarHBondContact O-CE 3.24Å; H147-K151 WeakPolarHBondContact O-CG 3.43Å; H147-A245 HydrophobicContact CB-CB 4.02Å; H147-A245 WeakPolarHBondContact CD2-CB 3.4Å; H147-Y575 AromaticContact CD2-CE2 3.38Å; H147-Y575 WeakPolarHBondContact CD2-CE2 3.25Å; H147-Y575 AromaticContact CD2-CZ 3.54Å; H147-Y575 PolarHBondContact CD2-OH 3.2Å; H147-Y575 AromaticContact NE2-CE2 3.42Å; H147-Y575 WeakPolarHBondContact NE2-CE2 3.19Å; H147-Y575 AromaticContact NE2-CZ 3.48Å; H147-Y575 PolarHBondContact NE2-OH 2.82Å
148	N	87.8	Confident	91.4	Very high	106 Å²	106	38.2 Å²	38.2	57%	0.567	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-41.4	173.3	-66.1	-51.6	0	0	0	111.1	D146 I150 K151	D146-N148 PolarHBondContact O-N 3.46Å; D146-N148 VanDerWaalsContact O-N 3.15Å; D146-N148 WeakPolarHBondContact OD1-CA 3.23Å; D146-N148 WeakPolarHBondContact OD1-CB 3.28Å; D146-N148 PolarHBondContact OD1-N 2.88Å; N148-I150 PolarHBondContact O-N 3.21Å; N148-K151 PolarHBondContact O-N 3.21Å; N148-K151 PolarHBondContact OD1-NZ 3.47Å
149	A	90.9	Very high	91.4	Very high	44 Å²	44	40.4 Å²	40.4	36%	0.364	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.5	178.2	0	0	0	0	0	113.3	D146 P152	D146-A149 PolarHBondContact O-N 3.26Å; D146-A149 VanDerWaalsContact O-N 3.16Å; D146-A149 PolarHBondContact OD1-N 3.38Å; A149-P152 WeakPolarHBondContact O-CD 3.49Å
150	I	91.3	Very high	91.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-25.2	177.8	61.9	-177.9	0	0	0	114.9	A143 D146 H147 N148 L153 I154 L166 Y575	A143-I150 HydrophobicContact CB-CB 4.19Å; A143-I150 HydrophobicContact CB-CG2 3.65Å; D146-I150 PolarHBondContact O-N 2.99Å; H147-I150 WeakPolarHBondContact O-CG1 3.49Å; N148-I150 PolarHBondContact O-N 3.21Å; I150-L153 PolarHBondContact O-N 3.38Å; I150-L153 VanDerWaalsContact O-N 3.09Å; I150-I154 HydrophobicContact CB-CD1 4Å; I150-I154 HydrophobicContact CD1-CD1 3.85Å; I150-I154 HydrophobicContact CG1-CD1 3.75Å; I150-I154 WeakPolarHBondContact O-CG1 3.28Å; I150-I154 PolarHBondContact O-N 2.98Å; I150-I154 VanDerWaalsContact O-N 3.1Å; I150-L166 HydrophobicContact CD1-CD1 3.92Å; I150-L166 HydrophobicContact CD1-CD2 4.14Å; I150-Y575 HydrophobicContact CD1-CD1 4.48Å; I150-Y575 HydrophobicContact CD1-CD2 4.39Å; I150-Y575 HydrophobicContact CD1-CG 4.34Å; I150-Y575 VanDerWaalsContact CG2-CB 3.44Å; I150-Y575 HydrophobicContact CG2-CD2 4.32Å; I150-Y575 HydrophobicContact CG2-CG 3.98Å
151	K	90.3	Very high	91.5	Very high	77 Å²	77	41.8 Å²	41.8	34%	0.335	24%	0.239	S	C	.	.	H	α-helix	trans	-55.2	-44.4	-172.2	-69.9	171.2	179.7	168.1	0	113.9	H147 N148 L153 I154 H155	H147-K151 WeakPolarHBondContact O-CE 3.24Å; H147-K151 WeakPolarHBondContact O-CG 3.43Å; N148-K151 PolarHBondContact O-N 3.21Å; N148-K151 PolarHBondContact OD1-NZ 3.47Å; K151-L153 VanDerWaalsContact C-N 3.28Å; K151-L153 PolarHBondContact O-N 2.96Å; K151-I154 PolarHBondContact O-N 3.18Å; K151-H155 WeakPolarHBondContact O-CB 3.27Å; K151-H155 PolarHBondContact O-CD2 3.17Å; K151-H155 VanDerWaalsContact O-CG 3.29Å; K151-H155 PolarHBondContact O-N 2.95Å
152	P	91.8	Very high	91.6	Very high	86 Å²	86	41.8 Å²	41.8	56%	0.558	24%	0.239	S	C	*	.	H	α-helix	trans	-61.1	-35	179.2	-23.7	35.3	0	0	0	113.4	A149 K156	A149-P152 WeakPolarHBondContact O-CD 3.49Å; P152-K156 VanDerWaalsContact O-CB 3.28Å; P152-K156 WeakPolarHBondContact O-CB 3.42Å; P152-K156 PolarHBondContact O-N 3.46Å; P152-K156 VanDerWaalsContact O-N 3.12Å
153	L	92.1	Very high	91.7	Very high	39 Å²	39	42.1 Å²	42.1	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-42.6	176.6	-176.1	70.5	0	0	0	111.4	A143 I150 K151 K156 N157 L552	A143-L153 HydrophobicContact CB-CD2 3.43Å; A143-L153 VanDerWaalsContact CB-CD2 3.43Å; I150-L153 PolarHBondContact O-N 3.38Å; I150-L153 VanDerWaalsContact O-N 3.09Å; K151-L153 VanDerWaalsContact C-N 3.28Å; K151-L153 PolarHBondContact O-N 2.96Å; L153-K156 PolarHBondContact O-N 3.02Å; L153-N157 WeakPolarHBondContact O-CB 3.48Å; L153-N157 VanDerWaalsContact O-CG 3.25Å; L153-N157 PolarHBondContact O-N 2.7Å; L153-N157 PolarHBondContact O-OD1 2.91Å; L153-L552 HydrophobicContact CD2-CD1 3.98Å; L153-L552 HydrophobicContact CD2-CD2 3.86Å
154	I	91.5	Very high	91.7	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-51	179.6	-62.2	166.6	0	0	0	109.9	I150 K151 K156 N157 Q158 A164 L166 A249	I150-I154 HydrophobicContact CB-CD1 4Å; I150-I154 HydrophobicContact CD1-CD1 3.85Å; I150-I154 HydrophobicContact CG1-CD1 3.75Å; I150-I154 WeakPolarHBondContact O-CG1 3.28Å; I150-I154 PolarHBondContact O-N 2.98Å; I150-I154 VanDerWaalsContact O-N 3.1Å; K151-I154 PolarHBondContact O-N 3.18Å; I154-K156 VanDerWaalsContact C-N 3.33Å; I154-K156 PolarHBondContact O-N 2.96Å; I154-N157 PolarHBondContact O-N 2.73Å; I154-Q158 VanDerWaalsContact O-CB 3.3Å; I154-Q158 WeakPolarHBondContact O-CB 3.34Å; I154-Q158 PolarHBondContact O-N 3.46Å; I154-A164 HydrophobicContact CG1-CB 4.23Å; I154-A164 HydrophobicContact CG2-CB 4.29Å; I154-L166 HydrophobicContact CD1-CD2 3.87Å; I154-A249 HydrophobicContact CD1-CB 3.84Å; I154-A249 HydrophobicContact CG2-CB 4.03Å; I154-A249 WeakPolarHBondContact CG2-O 3.4Å
155	H	91.4	Very high	91.7	Very high	92 Å²	92	41.3 Å²	41.3	43%	0.426	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-42.3	178.1	-63.4	178.7	0	0	0	111.7	K151 Q158 A159	K151-H155 WeakPolarHBondContact O-CB 3.27Å; K151-H155 PolarHBondContact O-CD2 3.17Å; K151-H155 VanDerWaalsContact O-CG 3.29Å; K151-H155 PolarHBondContact O-N 2.95Å; H155-Q158 PolarHBondContact O-N 3.15Å; H155-A159 WeakPolarHBondContact O-CB 3.47Å; H155-A159 PolarHBondContact O-N 2.76Å
156	K	93.1	Very high	91.7	Very high	17 Å²	17	38.3 Å²	38.3	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-58.1	-52.3	174.3	-175.8	177.8	74.5	149.6	0	111.1	S88 E93 P152 L153 I154 Q158 A159 F160 P623 Y625	S88-K156 WeakPolarHBondContact O-CE 3.46Å; S88-K156 PolarHBondContact O-NZ 3.3Å; E93-K156 VanDerWaalsContact CD-NZ 3.25Å; E93-K156 IonicContact OE1-NZ 3.74Å; E93-K156 PolarHBondContact OE1-NZ 2.83Å; E93-K156 IonicContact OE2-NZ 3.67Å; E93-K156 PolarHBondContact OE2-NZ 2.86Å; P152-K156 VanDerWaalsContact O-CB 3.28Å; P152-K156 WeakPolarHBondContact O-CB 3.42Å; P152-K156 PolarHBondContact O-N 3.46Å; P152-K156 VanDerWaalsContact O-N 3.12Å; L153-K156 PolarHBondContact O-N 3.02Å; I154-K156 VanDerWaalsContact C-N 3.33Å; I154-K156 PolarHBondContact O-N 2.96Å; K156-Q158 VanDerWaalsContact C-N 3.33Å; K156-Q158 PolarHBondContact O-N 2.83Å; K156-A159 PolarHBondContact O-N 3.05Å; K156-F160 HydrophobicContact CG-CE2 4.35Å; K156-F160 VanDerWaalsContact O-CD2 3.26Å; K156-F160 WeakPolarHBondContact O-CD2 3.47Å; K156-P623 HydrophobicContact CD-CG 4.43Å; K156-Y625 HydrophobicContact CB-CE1 4.33Å; K156-Y625 HydrophobicContact CB-CE2 3.94Å; K156-Y625 HydrophobicContact CD-CE1 4.1Å; K156-Y625 HydrophobicContact CG-CD1 4.22Å; K156-Y625 HydrophobicContact CG-CE1 3.78Å; K156-Y625 HydrophobicContact CG-CE2 4.2Å
157	N	93.9	Very high	91.5	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.048	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-41.7	-177.9	-70.1	-4.9	0	0	0	111.5	L153 I154 A159 F160 G161 V162	L153-N157 WeakPolarHBondContact O-CB 3.48Å; L153-N157 VanDerWaalsContact O-CG 3.25Å; L153-N157 PolarHBondContact O-N 2.7Å; L153-N157 PolarHBondContact O-OD1 2.91Å; I154-N157 PolarHBondContact O-N 2.73Å; N157-A159 VanDerWaalsContact C-N 3.31Å; N157-A159 PolarHBondContact O-N 3.4Å; N157-F160 CarbonylContact O-C 3.39Å; N157-F160 PolarHBondContact O-N 3.13Å; N157-G161 PolarHBondContact O-N 3.21Å; N157-V162 CarbonylContact C-O 3.47Å; N157-V162 HydrophobicContact CB-CB 4.24Å; N157-V162 HydrophobicContact CB-CG1 4.48Å; N157-V162 VanDerWaalsContact CB-O 3.25Å; N157-V162 WeakPolarHBondContact CB-O 3.3Å; N157-V162 PolarHBondContact O-N 2.76Å
158	Q	92.4	Very high	91.4	Very high	74 Å²	74	35.1 Å²	35.1	35%	0.346	20%	0.203	S	C	.	.	H	α-helix	trans	-63.1	-36.4	-179.2	-171.2	-177.5	3.4	0	0	112	I154 H155 K156 F160 G161 V162 A249	I154-Q158 VanDerWaalsContact O-CB 3.3Å; I154-Q158 WeakPolarHBondContact O-CB 3.34Å; I154-Q158 PolarHBondContact O-N 3.46Å; H155-Q158 PolarHBondContact O-N 3.15Å; K156-Q158 VanDerWaalsContact C-N 3.33Å; K156-Q158 PolarHBondContact O-N 2.83Å; Q158-F160 PolarHBondContact O-N 2.68Å; Q158-G161 WeakPolarHBondContact O-CA 3.25Å; Q158-G161 PolarHBondContact O-N 3.06Å; Q158-V162 WeakPolarHBondContact CA-O 3.47Å; Q158-V162 PolarHBondContact N-O 3.43Å; Q158-V162 VanDerWaalsContact N-O 3.08Å; Q158-A249 PolarHBondContact OE1-O 3.39Å
159	A	93.3	Very high	90.8	Very high	56 Å²	56	30.1 Å²	30.1	46%	0.463	18%	0.176	S	C	.	.	H	α-helix	trans	-68.7	-15.8	175.9	0	0	0	0	0	113.9	H155 K156 N157 Y625	H155-A159 WeakPolarHBondContact O-CB 3.47Å; H155-A159 PolarHBondContact O-N 2.76Å; K156-A159 PolarHBondContact O-N 3.05Å; N157-A159 VanDerWaalsContact C-N 3.31Å; N157-A159 PolarHBondContact O-N 3.4Å; A159-Y625 HydrophobicContact CB-CD2 3.82Å; A159-Y625 HydrophobicContact CB-CG 4.14Å
160	F	94.6	Very high	90	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.075	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	23.2	166.1	-62.8	-83.5	0	0	0	112.5	K87 S88 K156 N157 Q158 V162 F560 G563 Q564 P623 Y625	K87-F160 HydrophobicContact CB-CD1 4.5Å; K87-F160 HydrophobicContact CB-CE1 4.24Å; K87-F160 HydrophobicContact CD-CD1 4.39Å; K87-F160 HydrophobicContact CD-CE1 4.1Å; K87-F160 HydrophobicContact CG-CE1 4Å; S88-F160 VanDerWaalsContact CB-CD2 3.4Å; K156-F160 HydrophobicContact CG-CE2 4.35Å; K156-F160 VanDerWaalsContact O-CD2 3.26Å; K156-F160 WeakPolarHBondContact O-CD2 3.47Å; N157-F160 CarbonylContact O-C 3.39Å; N157-F160 PolarHBondContact O-N 3.13Å; Q158-F160 PolarHBondContact O-N 2.68Å; F160-V162 PolarHBondContact O-N 3.19Å; F160-F560 HydrophobicContact CB-CD1 3.69Å; F160-F560 HydrophobicContact CB-CE1 3.98Å; F160-F560 HydrophobicContact CG-CD1 4.48Å; F160-G563 CarbonylContact O-C 3.6Å; F160-Q564 HydrophobicContact CB-CG 4.38Å; F160-Q564 PolarHBondContact O-N 3.12Å; F160-P623 HydrophobicContact CE2-CB 4.16Å; F160-P623 HydrophobicContact CZ-CB 3.9Å; F160-Y625 HydrophobicContact CE2-CD1 4.06Å; F160-Y625 HydrophobicContact CE2-CG 4.14Å; F160-Y625 HydrophobicContact CZ-CD1 4.5Å
161	G	93.4	Very high	89.2	Confident	33 Å²	33	30.1 Å²	30.1	34%	0.34	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	17.2	175.2	0	0	0	0	0	115.6	N157 Q158 G563	N157-G161 PolarHBondContact O-N 3.21Å; Q158-G161 WeakPolarHBondContact O-CA 3.25Å; Q158-G161 PolarHBondContact O-N 3.06Å; G161-G563 VanDerWaalsContact O-CA 3.3Å; G161-G563 WeakPolarHBondContact O-CA 3.28Å
162	V	95.1	Very high	88.3	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	106.8	-176.5	-177.9	0	0	0	0	111.2	N157 Q158 F160 S559 F560 V569 K571	N157-V162 CarbonylContact C-O 3.47Å; N157-V162 HydrophobicContact CB-CB 4.24Å; N157-V162 HydrophobicContact CB-CG1 4.48Å; N157-V162 VanDerWaalsContact CB-O 3.25Å; N157-V162 WeakPolarHBondContact CB-O 3.3Å; N157-V162 PolarHBondContact O-N 2.76Å; Q158-V162 WeakPolarHBondContact CA-O 3.47Å; Q158-V162 PolarHBondContact N-O 3.43Å; Q158-V162 VanDerWaalsContact N-O 3.08Å; F160-V162 PolarHBondContact O-N 3.19Å; V162-S559 WeakPolarHBondContact CG2-O 3.37Å; V162-F560 HydrophobicContact CB-CD1 4.47Å; V162-F560 HydrophobicContact CB-CE1 4.17Å; V162-F560 HydrophobicContact CG2-CD1 3.69Å; V162-F560 HydrophobicContact CG2-CE1 3.89Å; V162-F560 HydrophobicContact CG2-CG 4.24Å; V162-V569 CarbonylContact C-O 3.34Å; V162-V569 WeakPolarHBondContact CA-O 3.35Å; V162-V569 HydrophobicContact CG1-CG1 4.27Å; V162-V569 HydrophobicContact CG2-CB 4.34Å; V162-V569 HydrophobicContact CG2-CG1 4.34Å; V162-K571 HydrophobicContact CG1-CG 3.78Å
163	G	94.4	Very high	87.4	Confident	12 Å²	12	30 Å²	30	12%	0.124	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	-174.2	175.2	0	0	0	0	0	114.3	V569 Y570 K571	G163-V569 PolarHBondContact N-O 3.37Å; G163-Y570 WeakPolarHBondContact O-CA 3.42Å; G163-K571 PolarHBondContact O-N 2.83Å
164	A	92.8	Very high	86.7	Confident	3 Å²	3	29.2 Å²	29.2	3%	0.025	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	140.3	-177.9	0	0	0	0	0	112.9	I154 L166 F254 K571 V573	I154-A164 HydrophobicContact CG1-CB 4.23Å; I154-A164 HydrophobicContact CG2-CB 4.29Å; A164-L166 HydrophobicContact CB-CD2 3.98Å; A164-F254 PolarHBondContact O-N 3.02Å; A164-K571 CarbonylContact C-O 3.59Å; A164-K571 WeakPolarHBondContact CA-O 3.48Å; A164-V573 HydrophobicContact CB-CB 4.38Å; A164-V573 HydrophobicContact CB-CG2 3.87Å
165	V	92.4	Very high	86.3	Confident	6 Å²	6	32.7 Å²	32.7	4%	0.036	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.1	159.4	-171.1	0	0	0	0	106.3	F254 A256 M402 Y570 K571 Y572 V573	V165-F254 HydrophobicContact CB-CB 4.11Å; V165-F254 HydrophobicContact CG1-CB 3.79Å; V165-F254 HydrophobicContact CG2-CB 3.9Å; V165-F254 HydrophobicContact CG2-CG 4.4Å; V165-A256 HydrophobicContact CG1-CB 4.24Å; V165-M402 HydrophobicContact CG1-SD 4.33Å; V165-Y570 HydrophobicContact CG2-CD1 4.48Å; V165-Y570 HydrophobicContact CG2-CG 4.44Å; V165-K571 PolarHBondContact N-O 2.72Å; V165-Y572 HydrophobicContact CB-CD2 4.21Å; V165-Y572 HydrophobicContact CG1-CD2 4.07Å; V165-Y572 HydrophobicContact CG1-CE2 4.42Å; V165-V573 PolarHBondContact O-N 2.86Å
166	L	90	Very high	85.9	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	139.3	-177.1	-60.3	-169.6	0	0	0	111.9	I150 I154 A164 A245 F254 A256 V573 Y575	I150-L166 HydrophobicContact CD1-CD1 3.92Å; I150-L166 HydrophobicContact CD1-CD2 4.14Å; I154-L166 HydrophobicContact CD1-CD2 3.87Å; A164-L166 HydrophobicContact CB-CD2 3.98Å; L166-A245 HydrophobicContact CD1-CB 3.82Å; L166-F254 PolarHBondContact N-O 3.11Å; L166-F254 VanDerWaalsContact N-O 3.15Å; L166-A256 PolarHBondContact O-N 2.75Å; L166-V573 HydrophobicContact CD2-CB 4.04Å; L166-V573 HydrophobicContact CD2-CG1 4Å; L166-Y575 HydrophobicContact CB-CE1 4.21Å
167	D	84.6	Confident	85.5	Confident	8 Å²	8	40.1 Å²	40.1	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	120.2	170.6	176.3	24.5	0	0	0	110.1	S169 R222 Y572 V573 P574 Y575	D167-S169 PolarHBondContact O-N 3.3Å; D167-S169 VanDerWaalsContact O-N 3.16Å; D167-S169 PolarHBondContact O-OG 3.39Å; D167-S169 PolarHBondContact OD2-OG 3.19Å; D167-S169 VanDerWaalsContact OD2-OG 3.13Å; D167-R222 IonicContact OD1-NH1 2.72Å; D167-Y572 HydrophobicContact CB-CD1 4.36Å; D167-Y572 HydrophobicContact CB-CE1 3.46Å; D167-Y572 VanDerWaalsContact CB-CE1 3.46Å; D167-Y572 HydrophobicContact CB-CE2 4.35Å; D167-Y572 VanDerWaalsContact CB-CZ 3.46Å; D167-Y572 VanDerWaalsContact CB-OH 3.31Å; D167-Y572 WeakPolarHBondContact CB-OH 3.35Å; D167-Y572 WeakPolarHBondContact OD2-CE1 3.49Å; D167-Y572 PolarHBondContact OD2-OH 2.92Å; D167-V573 PolarHBondContact N-O 3.45Å; D167-P574 CarbonylContact O-C 3.54Å; D167-P574 WeakPolarHBondContact O-CA 3.35Å; D167-Y575 WeakPolarHBondContact O-CD1 3.48Å; D167-Y575 PolarHBondContact O-N 3.07Å
168	Y	82.2	Confident	85.1	Confident	55 Å²	55	44.3 Å²	44.3	22%	0.216	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	92.5	174.2	-175.2	-112	0	0	0	109.7	V170 R222 T238 Y575	Y168-V170 HydrophobicContact CD1-CB 3.89Å; Y168-V170 HydrophobicContact CD1-CG2 3.95Å; Y168-V170 HydrophobicContact CD2-CG2 4.41Å; Y168-V170 HydrophobicContact CE1-CB 3.52Å; Y168-V170 HydrophobicContact CE1-CG1 4.18Å; Y168-V170 HydrophobicContact CE1-CG2 3.36Å; Y168-V170 HydrophobicContact CE2-CG2 3.88Å; Y168-V170 HydrophobicContact CG-CG2 4.48Å; Y168-V170 PolarHBondContact O-N 3.46Å; Y168-R222 PolarHBondContact O-NH1 3.08Å; Y168-T238 HydrophobicContact CD1-CG2 3.28Å; Y168-T238 HydrophobicContact CE1-CG2 3.94Å; Y168-T238 HydrophobicContact CG-CG2 3.86Å; Y168-Y575 CarbonylContact C-O 3.59Å; Y168-Y575 WeakPolarHBondContact CA-O 3.42Å; Y168-Y575 AromaticContact CD2-CD2 3.84Å; Y168-Y575 HydrophobicContact CD2-CD2 3.84Å; Y168-Y575 HydrophobicContact CD2-CE1 4.3Å; Y168-Y575 AromaticContact CD2-CE2 3.47Å; Y168-Y575 HydrophobicContact CD2-CE2 3.47Å; Y168-Y575 VanDerWaalsContact CD2-CE2 3.47Å; Y168-Y575 HydrophobicContact CD2-CG 4.4Å; Y168-Y575 AromaticContact CD2-CZ 3.72Å; Y168-Y575 HydrophobicContact CE2-CD2 4.4Å; Y168-Y575 HydrophobicContact CE2-CE2 4.14Å; Y168-Y575 HydrophobicContact CG-CE2 4.43Å
169	S	76.3	Confident	84.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.			trans	-84.5	28.8	-164.5	-53.4	0	0	0	0	115.2	D167 E171 P574 Y575	D167-S169 PolarHBondContact O-N 3.3Å; D167-S169 VanDerWaalsContact O-N 3.16Å; D167-S169 PolarHBondContact O-OG 3.39Å; D167-S169 PolarHBondContact OD2-OG 3.19Å; D167-S169 VanDerWaalsContact OD2-OG 3.13Å; S169-E171 PolarHBondContact O-N 3.31Å; S169-P574 WeakPolarHBondContact OG-CA 3.45Å; S169-P574 WeakPolarHBondContact OG-CB 3.36Å; S169-Y575 PolarHBondContact N-O 3.46Å
170	V	74.2	Confident	84.6	Confident	26 Å²	26	39 Å²	39	16%	0.158	21%	0.205	C	C	.	.			trans	-70	121.2	173.5	164.3	0	0	0	0	110.7	Y168 R222 E580	Y168-V170 HydrophobicContact CD1-CB 3.89Å; Y168-V170 HydrophobicContact CD1-CG2 3.95Å; Y168-V170 HydrophobicContact CD2-CG2 4.41Å; Y168-V170 HydrophobicContact CE1-CB 3.52Å; Y168-V170 HydrophobicContact CE1-CG1 4.18Å; Y168-V170 HydrophobicContact CE1-CG2 3.36Å; Y168-V170 HydrophobicContact CE2-CG2 3.88Å; Y168-V170 HydrophobicContact CG-CG2 4.48Å; Y168-V170 PolarHBondContact O-N 3.46Å; V170-R222 PolarHBondContact O-NE 3.38Å; V170-R222 PolarHBondContact O-NH2 3.18Å; V170-E580 HydrophobicContact CB-CB 4.23Å; V170-E580 HydrophobicContact CG1-CB 4.01Å; V170-E580 HydrophobicContact CG1-CG 4.36Å; V170-E580 WeakPolarHBondContact CG1-OE2 3.45Å; V170-E580 HydrophobicContact CG2-CB 3.79Å; V170-E580 VanDerWaalsContact CG2-OE2 3.25Å; V170-E580 WeakPolarHBondContact CG2-OE2 3.43Å
171	E	72.8	Confident	84.2	Confident	19 Å²	19	44.7 Å²	44.7	9%	0.089	23%	0.229	C	C	.	.			trans	-120.2	144.8	-175.3	-72.7	-179.5	-170.5	0	0	113	S169 D173 R222 E580 P583 R587	S169-E171 PolarHBondContact O-N 3.31Å; E171-D173 PolarHBondContact O-N 3.08Å; E171-R222 HydrophobicContact CG-CG 3.9Å; E171-R222 VanDerWaalsContact OE1-CB 3.3Å; E171-R222 WeakPolarHBondContact OE1-CB 3.47Å; E171-R222 VanDerWaalsContact OE1-CG 3.25Å; E171-R222 WeakPolarHBondContact OE1-CG 3.43Å; E171-E580 PolarHBondContact N-O 3.06Å; E171-E580 VanDerWaalsContact N-O 3.12Å; E171-P583 HydrophobicContact CB-CB 4.27Å; E171-P583 HydrophobicContact CB-CG 4.28Å; E171-P583 WeakPolarHBondContact OE2-CB 3.44Å; E171-R587 VanDerWaalsContact CD-NH2 3.28Å; E171-R587 IonicContact OE1-CZ 3.06Å; E171-R587 IonicContact OE1-NH1 3.06Å; E171-R587 IonicContact OE1-NH2 3.26Å; E171-R587 PolarHBondContact OE1-NH2 3.36Å; E171-R587 IonicContact OE2-CZ 3.11Å; E171-R587 IonicContact OE2-NH1 3.17Å; E171-R587 PolarHBondContact OE2-NH1 3.03Å; E171-R587 IonicContact OE2-NH2 3.69Å; E171-R587 PolarHBondContact OE2-NH2 3.24Å; E171-R587 VanDerWaalsContact OE2-NH2 3.11Å
172	E	72.2	Confident	84	Confident	53 Å²	53	45.7 Å²	45.7	25%	0.248	22%	0.224	C	C	.	.			trans	-70.9	114.6	171.8	-58.9	-164.4	164.9	0	0	109.3	L174 K182 R215 K231	E172-L174 HydrophobicContact CB-CD1 4.41Å; E172-L174 HydrophobicContact CB-CD2 4.18Å; E172-L174 HydrophobicContact CB-CG 3.85Å; E172-L174 PolarHBondContact O-N 3.04Å; E172-K182 IonicContact OE2-NZ 3.33Å; E172-K182 PolarHBondContact OE2-NZ 2.87Å; E172-R215 PolarHBondContact O-NH1 3.37Å; E172-K231 WeakPolarHBondContact OE1-CE 3.43Å; E172-K231 IonicContact OE1-NZ 2.71Å; E172-K231 PolarHBondContact OE1-NZ 2.73Å
173	D	72.4	Confident	83.7	Confident	107 Å²	107	46.1 Å²	46.1	57%	0.572	23%	0.226	S	C	*	.			trans	-79.2	63.9	171.2	-161	35.4	0	0	0	110.4	K114 E171	K114-D173 IonicContact NZ-OD1 3.75Å; K114-D173 PolarHBondContact NZ-OD1 2.94Å; E171-D173 PolarHBondContact O-N 3.08Å
174	L	78.9	Confident	83.4	Confident	22 Å²	22	47.9 Å²	47.9	12%	0.115	23%	0.232	C	C	.	.			trans	-70.1	145	170.5	-56	178	0	0	0	109.9	E172 E178 A179 K182 R215 F225	E172-L174 HydrophobicContact CB-CD1 4.41Å; E172-L174 HydrophobicContact CB-CD2 4.18Å; E172-L174 HydrophobicContact CB-CG 3.85Å; E172-L174 PolarHBondContact O-N 3.04Å; L174-E178 HydrophobicContact CB-CB 4.22Å; L174-A179 HydrophobicContact CB-CB 4.32Å; L174-A179 HydrophobicContact CD1-CB 4.39Å; L174-K182 HydrophobicContact CD1-CD 3.79Å; L174-R215 VanDerWaalsContact O-CZ 3.3Å; L174-R215 PolarHBondContact O-NH1 3.49Å; L174-R215 PolarHBondContact O-NH2 3.26Å; L174-F225 HydrophobicContact CD1-CB 4Å; L174-F225 HydrophobicContact CD1-CD2 3.55Å; L174-F225 HydrophobicContact CD1-CE2 4.22Å; L174-F225 HydrophobicContact CD1-CG 3.82Å
175	T	82.5	Confident	83.1	Confident	77 Å²	77	51.8 Å²	51.8	47%	0.472	25%	0.252	S	S	.	.			trans	-61.1	165.3	161.7	63.2	0	0	0	0	110.8	E177 E178 A179 R215	T175-E177 VanDerWaalsContact C-N 3.33Å; T175-E178 VanDerWaalsContact CB-OE2 3.31Å; T175-E178 WeakPolarHBondContact CB-OE2 3.4Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.3Å; T175-E178 PolarHBondContact N-OE2 2.9Å; T175-E178 WeakPolarHBondContact OG1-CB 3.4Å; T175-E178 WeakPolarHBondContact OG1-CG 3.13Å; T175-E178 PolarHBondContact OG1-N 3.03Å; T175-E178 PolarHBondContact OG1-OE2 3.11Å; T175-A179 WeakPolarHBondContact O-CB 3.47Å; T175-A179 PolarHBondContact O-N 2.95Å; T175-A179 VanDerWaalsContact O-N 3.08Å; T175-R215 PolarHBondContact O-NH2 3.02Å
176	Q	83.6	Confident	82.8	Confident	121 Å²	121	51.7 Å²	51.7	57%	0.565	25%	0.252	S	S	*	.	H	α-helix	trans	-61.7	-43.4	175.8	-174.7	-176.8	-33.2	0	0	111	E178 A179 E180 D213	Q176-E178 PolarHBondContact O-N 3.38Å; Q176-A179 PolarHBondContact O-N 3.2Å; Q176-E180 HydrophobicContact CG-CG 4.39Å; Q176-E180 PolarHBondContact NE2-OE1 3.06Å; Q176-E180 WeakPolarHBondContact O-CB 3.44Å; Q176-E180 WeakPolarHBondContact O-CG 3.47Å; Q176-E180 PolarHBondContact O-N 3.03Å; Q176-D213 HydrophobicContact CG-CB 3.97Å
177	E	84.1	Confident	82.5	Confident	144 Å²	144	51.7 Å²	51.7	67%	0.673	25%	0.252	S	S	*	.	H	α-helix	trans	-64.8	-39.7	-178.9	-62.8	-175.3	178	0	0	112.8	T175 K181	T175-E177 VanDerWaalsContact C-N 3.33Å; E177-K181 VanDerWaalsContact O-CB 3.29Å; E177-K181 WeakPolarHBondContact O-CB 3.14Å; E177-K181 PolarHBondContact O-N 3.19Å
178	E	86	Confident	82.3	Confident	96 Å²	96	52.7 Å²	52.7	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-66.9	-40.9	174.9	-71.2	164.2	135	0	0	112	L174 T175 Q176 K181 K182	L174-E178 HydrophobicContact CB-CB 4.22Å; T175-E178 VanDerWaalsContact CB-OE2 3.31Å; T175-E178 WeakPolarHBondContact CB-OE2 3.4Å; T175-E178 WeakPolarHBondContact CG2-OE2 3.3Å; T175-E178 PolarHBondContact N-OE2 2.9Å; T175-E178 WeakPolarHBondContact OG1-CB 3.4Å; T175-E178 WeakPolarHBondContact OG1-CG 3.13Å; T175-E178 PolarHBondContact OG1-N 3.03Å; T175-E178 PolarHBondContact OG1-OE2 3.11Å; Q176-E178 PolarHBondContact O-N 3.38Å; E178-K181 PolarHBondContact O-N 3.45Å; E178-K182 WeakPolarHBondContact O-CB 3.43Å; E178-K182 WeakPolarHBondContact O-CG 3.36Å; E178-K182 PolarHBondContact O-N 2.97Å
179	A	85.7	Confident	81.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64	-47.9	176	0	0	0	0	0	111.5	L174 T175 Q176 K181 K182 E183 D213 F225	L174-A179 HydrophobicContact CB-CB 4.32Å; L174-A179 HydrophobicContact CD1-CB 4.39Å; T175-A179 WeakPolarHBondContact O-CB 3.47Å; T175-A179 PolarHBondContact O-N 2.95Å; T175-A179 VanDerWaalsContact O-N 3.08Å; Q176-A179 PolarHBondContact O-N 3.2Å; A179-K181 VanDerWaalsContact C-N 3.33Å; A179-K181 PolarHBondContact O-N 3.25Å; A179-K182 PolarHBondContact O-N 3.44Å; A179-E183 WeakPolarHBondContact O-CB 3.5Å; A179-E183 PolarHBondContact O-N 2.87Å; A179-D213 HydrophobicContact CB-CB 3.91Å; A179-F225 HydrophobicContact CB-CD1 4.37Å; A179-F225 HydrophobicContact CB-CE1 3.75Å; A179-F225 HydrophobicContact CB-CE2 4.08Å; A179-F225 HydrophobicContact CB-CZ 3.58Å
180	E	87.7	Confident	81.5	Confident	20 Å²	20	53.7 Å²	53.7	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-47.3	172.9	-75.3	179.9	-161.7	0	0	111.7	Q176 E183 M184 R209 D213	Q176-E180 HydrophobicContact CG-CG 4.39Å; Q176-E180 PolarHBondContact NE2-OE1 3.06Å; Q176-E180 WeakPolarHBondContact O-CB 3.44Å; Q176-E180 WeakPolarHBondContact O-CG 3.47Å; Q176-E180 PolarHBondContact O-N 3.03Å; E180-E183 PolarHBondContact O-N 2.92Å; E180-M184 WeakPolarHBondContact O-CB 3.45Å; E180-M184 VanDerWaalsContact O-CG 3.26Å; E180-M184 WeakPolarHBondContact O-CG 3.39Å; E180-M184 PolarHBondContact O-N 3.4Å; E180-R209 HydrophobicContact CB-CG 4.32Å; E180-R209 HydrophobicContact CG-CG 4.46Å; E180-R209 WeakPolarHBondContact CG-O 3.42Å; E180-R209 VanDerWaalsContact OE2-CG 3.29Å; E180-R209 WeakPolarHBondContact OE2-CG 3.33Å; E180-R209 IonicContact OE2-CZ 3.53Å; E180-R209 IonicContact OE2-NE 2.79Å; E180-R209 PolarHBondContact OE2-NE 3.48Å; E180-R209 IonicContact OE2-NH2 2.72Å; E180-D213 HydrophobicContact CG-CB 4.42Å
181	K	88.1	Confident	81.1	Confident	136 Å²	136	54.9 Å²	54.9	59%	0.591	28%	0.278	S	S	*	.	H	α-helix	trans	-62.5	-51.9	179.8	-174.6	-177.2	176	-171.3	0	111.5	E177 E178 A179 E183 M184 D185	E177-K181 VanDerWaalsContact O-CB 3.29Å; E177-K181 WeakPolarHBondContact O-CB 3.14Å; E177-K181 PolarHBondContact O-N 3.19Å; E178-K181 PolarHBondContact O-N 3.45Å; A179-K181 VanDerWaalsContact C-N 3.33Å; A179-K181 PolarHBondContact O-N 3.25Å; K181-E183 VanDerWaalsContact C-N 3.31Å; K181-E183 PolarHBondContact O-N 3.23Å; K181-M184 PolarHBondContact O-N 2.93Å; K181-D185 WeakPolarHBondContact CE-OD2 3.21Å; K181-D185 WeakPolarHBondContact CG-OD2 3.45Å; K181-D185 WeakPolarHBondContact O-CB 3.24Å; K181-D185 VanDerWaalsContact O-CG 3.29Å; K181-D185 PolarHBondContact O-N 2.94Å
182	K	88.6	Confident	80.9	Confident	54 Å²	54	55.8 Å²	55.8	24%	0.235	28%	0.282	C	S	.	.	H	α-helix	trans	-58	-42.5	178.5	-75	-169.4	-172.9	-171.2	0	112	E172 L174 E178 A179 S186 F225	E172-K182 IonicContact OE2-NZ 3.33Å; E172-K182 PolarHBondContact OE2-NZ 2.87Å; L174-K182 HydrophobicContact CD1-CD 3.79Å; E178-K182 WeakPolarHBondContact O-CB 3.43Å; E178-K182 WeakPolarHBondContact O-CG 3.36Å; E178-K182 PolarHBondContact O-N 2.97Å; A179-K182 PolarHBondContact O-N 3.44Å; K182-S186 WeakPolarHBondContact O-CB 3.31Å; K182-S186 PolarHBondContact O-N 3.09Å; K182-S186 PolarHBondContact O-OG 3.33Å; K182-F225 HydrophobicContact CB-CB 4.11Å; K182-F225 HydrophobicContact CB-CD1 4.41Å; K182-F225 HydrophobicContact CD-CB 3.73Å
183	E	87.6	Confident	80.8	Confident	9 Å²	9	57.8 Å²	57.8	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-45.3	178.2	-172.6	75.9	-166.8	0	0	111	A179 E180 K181 S186 C187 G212 R214 F225	A179-E183 WeakPolarHBondContact O-CB 3.5Å; A179-E183 PolarHBondContact O-N 2.87Å; E180-E183 PolarHBondContact O-N 2.92Å; K181-E183 VanDerWaalsContact C-N 3.31Å; K181-E183 PolarHBondContact O-N 3.23Å; E183-S186 PolarHBondContact O-N 3.27Å; E183-S186 PolarHBondContact O-OG 3.41Å; E183-C187 WeakPolarHBondContact O-CB 3.34Å; E183-C187 PolarHBondContact O-N 3.06Å; E183-C187 PolarHBondContact O-SG 2.85Å; E183-C187 PolarHBondContact OE1-SG 2.96Å; E183-G212 WeakPolarHBondContact CB-O 3.48Å; E183-G212 WeakPolarHBondContact CG-O 3.4Å; E183-R214 HydrophobicContact CG-CG 4.42Å; E183-R214 VanDerWaalsContact OE1-CD 3.25Å; E183-R214 WeakPolarHBondContact OE1-CD 3.4Å; E183-R214 IonicContact OE1-NE 2.75Å; E183-R214 PolarHBondContact OE1-NE 2.9Å; E183-R214 VanDerWaalsContact OE1-NE 3.12Å; E183-R214 IonicContact OE2-CZ 2.65Å; E183-R214 IonicContact OE2-NE 3.16Å; E183-R214 PolarHBondContact OE2-NE 3.32Å; E183-R214 IonicContact OE2-NH2 2.73Å; E183-F225 HydrophobicContact CB-CD1 4.36Å; E183-F225 HydrophobicContact CB-CE1 4.34Å
184	M	88.6	Confident	80.3	Confident	49 Å²	49	60.2 Å²	60.2	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-45.5	176.9	-68.4	-57	-55.8	0	0	112.4	E180 K181 S186 V188 A207 R209	E180-M184 WeakPolarHBondContact O-CB 3.45Å; E180-M184 VanDerWaalsContact O-CG 3.26Å; E180-M184 WeakPolarHBondContact O-CG 3.39Å; E180-M184 PolarHBondContact O-N 3.4Å; K181-M184 PolarHBondContact O-N 2.93Å; M184-S186 VanDerWaalsContact C-N 3.29Å; M184-S186 PolarHBondContact O-N 3.39Å; M184-V188 HydrophobicContact CE-CG2 4.08Å; M184-V188 WeakPolarHBondContact O-CB 3.42Å; M184-V188 VanDerWaalsContact O-CG2 3.26Å; M184-V188 WeakPolarHBondContact O-CG2 3.44Å; M184-V188 PolarHBondContact O-N 3.13Å; M184-A207 HydrophobicContact CE-CB 3.81Å; M184-A207 HydrophobicContact SD-CB 3.71Å; M184-R209 HydrophobicContact CG-CB 4.28Å; M184-R209 HydrophobicContact SD-CB 4.18Å; M184-R209 PolarHBondContact SD-N 2.92Å
185	D	86.1	Confident	79.4	Confident	85 Å²	85	62.3 Å²	62.3	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-33.7	179.6	-69.9	-17.5	0	0	0	112	K181	K181-D185 WeakPolarHBondContact CE-OD2 3.21Å; K181-D185 WeakPolarHBondContact CG-OD2 3.45Å; K181-D185 WeakPolarHBondContact O-CB 3.24Å; K181-D185 VanDerWaalsContact O-CG 3.29Å; K181-D185 PolarHBondContact O-N 2.94Å
186	S	86.4	Confident	78.2	Confident	4 Å²	4	64 Å²	64	3%	0.028	33%	0.326	C	S	.	.	H	α-helix	trans	-93.8	-14.7	-176.5	66.6	0	0	0	0	115.6	K182 E183 M184 R264 Q266	K182-S186 WeakPolarHBondContact O-CB 3.31Å; K182-S186 PolarHBondContact O-N 3.09Å; K182-S186 PolarHBondContact O-OG 3.33Å; E183-S186 PolarHBondContact O-N 3.27Å; E183-S186 PolarHBondContact O-OG 3.41Å; M184-S186 VanDerWaalsContact C-N 3.29Å; M184-S186 PolarHBondContact O-N 3.39Å; S186-R264 WeakPolarHBondContact O-CG 3.3Å; S186-R264 PolarHBondContact O-NE 2.73Å; S186-Q266 VanDerWaalsContact O-CB 3.28Å; S186-Q266 WeakPolarHBondContact O-CB 3.48Å; S186-Q266 PolarHBondContact O-N 3.23Å
187	C	83.2	Confident	76.7	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	34%	0.335	C	S	.	.	H	α-helix	trans	-104.3	-10.3	-180	-72.6	0	0	0	0	114.9	E183 A207 L269	E183-C187 WeakPolarHBondContact O-CB 3.34Å; E183-C187 PolarHBondContact O-N 3.06Å; E183-C187 PolarHBondContact O-SG 2.85Å; E183-C187 PolarHBondContact OE1-SG 2.96Å; C187-A207 HydrophobicContact CB-CB 3.79Å; C187-L269 HydrophobicContact CB-CD1 3.56Å
188	V	80.3	Confident	74.9	Confident	29 Å²	29	58.4 Å²	58.4	18%	0.176	33%	0.333	C	S	.	.	S	Bend	trans	-100.6	130.1	177.2	-179.9	0	0	0	0	109.9	M184 E192 K193 A207 R264 Q266	M184-V188 HydrophobicContact CE-CG2 4.08Å; M184-V188 WeakPolarHBondContact O-CB 3.42Å; M184-V188 VanDerWaalsContact O-CG2 3.26Å; M184-V188 WeakPolarHBondContact O-CG2 3.44Å; M184-V188 PolarHBondContact O-N 3.13Å; V188-E192 HydrophobicContact CG1-CB 3.6Å; V188-K193 HydrophobicContact CG1-CG 3.93Å; V188-A207 HydrophobicContact CG2-CB 3.95Å; V188-R264 PolarHBondContact O-NH2 3.44Å; V188-R264 VanDerWaalsContact O-NH2 3.07Å; V188-Q266 PolarHBondContact O-OE1 3.4Å
189	S	72.9	Confident	73.3	Confident	5 Å²	5	55.3 Å²	55.3	4%	0.035	33%	0.327	C	S	.	.			trans	-73.9	159.7	177.8	73.1	0	0	0	0	112.5	A191 E192 K193 E376	S189-A191 VanDerWaalsContact C-N 3.29Å; S189-A191 PolarHBondContact O-N 3.22Å; S189-E192 PolarHBondContact N-OE2 3.16Å; S189-E192 PolarHBondContact O-N 3.2Å; S189-E192 VanDerWaalsContact O-N 3.13Å; S189-E192 VanDerWaalsContact OG-CG 3.29Å; S189-E192 WeakPolarHBondContact OG-CG 3.46Å; S189-E192 PolarHBondContact OG-N 2.82Å; S189-E192 VanDerWaalsContact OG-N 3.15Å; S189-E192 PolarHBondContact OG-OE2 3.04Å; S189-K193 WeakPolarHBondContact O-CG 3.22Å; S189-K193 PolarHBondContact O-N 2.92Å; S189-K193 VanDerWaalsContact O-N 3.16Å; S189-E376 WeakPolarHBondContact CB-OE1 3.26Å
190	E	70.3	Confident	72.2	Confident	70 Å²	70	59.8 Å²	59.8	33%	0.327	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-38.8	176.8	-54.4	-45.8	124.9	0	0	111.3	E192 K193 E194 R264	E190-E192 VanDerWaalsContact C-N 3.28Å; E190-E192 PolarHBondContact O-N 3.42Å; E190-K193 WeakPolarHBondContact O-CB 3.46Å; E190-K193 PolarHBondContact O-N 3.25Å; E190-K193 IonicContact OE1-NZ 2.7Å; E190-K193 PolarHBondContact OE1-NZ 2.91Å; E190-K193 WeakPolarHBondContact OE2-CD 3.45Å; E190-K193 IonicContact OE2-NZ 3.35Å; E190-K193 PolarHBondContact OE2-NZ 2.88Å; E190-E194 WeakPolarHBondContact O-CG 3.33Å; E190-E194 PolarHBondContact O-N 2.81Å; E190-R264 IonicContact OE1-CZ 3.85Å; E190-R264 IonicContact OE1-NH1 3.8Å; E190-R264 IonicContact OE1-NH2 2.92Å; E190-R264 PolarHBondContact OE1-NH2 2.99Å
191	A	64.8	Low	71.3	Confident	51 Å²	51	60 Å²	60	42%	0.421	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-32.6	173.8	0	0	0	0	0	113.5	S189 S195	S189-A191 VanDerWaalsContact C-N 3.29Å; S189-A191 PolarHBondContact O-N 3.22Å; A191-S195 PolarHBondContact O-N 2.94Å; A191-S195 VanDerWaalsContact O-N 3.14Å
192	E	69.1	Low	70.7	Confident	39 Å²	39	55.9 Å²	55.9	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-74.3	-27.8	174.2	-75.2	173.6	132.6	0	0	112.9	V188 S189 E190 R201	V188-E192 HydrophobicContact CG1-CB 3.6Å; S189-E192 PolarHBondContact N-OE2 3.16Å; S189-E192 PolarHBondContact O-N 3.2Å; S189-E192 VanDerWaalsContact O-N 3.13Å; S189-E192 VanDerWaalsContact OG-CG 3.29Å; S189-E192 WeakPolarHBondContact OG-CG 3.46Å; S189-E192 PolarHBondContact OG-N 2.82Å; S189-E192 VanDerWaalsContact OG-N 3.15Å; S189-E192 PolarHBondContact OG-OE2 3.04Å; E190-E192 VanDerWaalsContact C-N 3.28Å; E190-E192 PolarHBondContact O-N 3.42Å; E192-R201 VanDerWaalsContact CD-NH1 3.27Å; E192-R201 WeakPolarHBondContact OE1-CD 3.32Å; E192-R201 IonicContact OE1-CZ 2.73Å; E192-R201 IonicContact OE1-NE 3.66Å; E192-R201 IonicContact OE1-NH1 3.3Å; E192-R201 PolarHBondContact OE1-NH1 3.03Å; E192-R201 IonicContact OE2-NH1 2.68Å; E192-R201 PolarHBondContact OE2-NH1 3.29Å
193	K	69.3	Low	70.5	Confident	94 Å²	94	59 Å²	59	41%	0.409	34%	0.344	S	S	.	.	H	α-helix	trans	-74.2	-41.3	172.9	-62.2	172.8	-166.1	167.2	0	111.4	V188 S189 E190	V188-K193 HydrophobicContact CG1-CG 3.93Å; S189-K193 WeakPolarHBondContact O-CG 3.22Å; S189-K193 PolarHBondContact O-N 2.92Å; S189-K193 VanDerWaalsContact O-N 3.16Å; E190-K193 WeakPolarHBondContact O-CB 3.46Å; E190-K193 PolarHBondContact O-N 3.25Å; E190-K193 IonicContact OE1-NZ 2.7Å; E190-K193 PolarHBondContact OE1-NZ 2.91Å; E190-K193 WeakPolarHBondContact OE2-CD 3.45Å; E190-K193 IonicContact OE2-NZ 3.35Å; E190-K193 PolarHBondContact OE2-NZ 2.88Å
194	E	63.3	Low	70.5	Confident	159 Å²	159	60 Å²	60	74%	0.743	35%	0.348	S	S	*	.	H	α-helix	trans	-70.3	-29.8	179.4	-71.4	179.1	174.7	0	0	113.1	E190	E190-E194 WeakPolarHBondContact O-CG 3.33Å; E190-E194 PolarHBondContact O-N 2.81Å
195	S	59.8	Low	70.4	Confident	65 Å²	65	57.7 Å²	57.7	46%	0.455	34%	0.337	S	S	.	.	S	Bend	trans	-136.5	76.1	177.6	-73	0	0	0	0	113	A191 G197 A198	A191-S195 PolarHBondContact O-N 2.94Å; A191-S195 VanDerWaalsContact O-N 3.14Å; S195-G197 PolarHBondContact O-N 2.9Å; S195-A198 PolarHBondContact O-N 2.81Å; S195-A198 VanDerWaalsContact O-N 3.11Å
196	P	56.7	Low	70.3	Confident	112 Å²	112	56.7 Å²	56.7	73%	0.727	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	110.2	-179.8	-23.9	35	0	0	0	112
197	G	52.3	Low	70.2	Confident	73 Å²	73	57.7 Å²	57.7	75%	0.753	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.5	-9.8	178.3	0	0	0	0	0	116	S195 G199	S195-G197 PolarHBondContact O-N 2.9Å; G197-G199 PolarHBondContact O-N 3.28Å
198	A	46.9	Very low	70.3	Confident	75 Å²	75	60.1 Å²	60.1	62%	0.62	35%	0.348	S	S	*	.			trans	-70.5	-17	176.7	0	0	0	0	0	113.7	S195	S195-A198 PolarHBondContact O-N 2.81Å; S195-A198 VanDerWaalsContact O-N 3.11Å
199	G	52.6	Low	70.6	Confident	31 Å²	31	66.2 Å²	66.2	32%	0.32	37%	0.368	S	S	.	.			trans	-89.6	115.2	-179	0	0	0	0	0	114.9	G197 R201 K206	G197-G199 PolarHBondContact O-N 3.28Å; G199-R201 PolarHBondContact O-N 3.09Å; G199-K206 PolarHBondContact O-NZ 2.99Å
200	H	61.5	Low	71.2	Confident	94 Å²	94	71.9 Å²	71.9	44%	0.435	39%	0.394	S	S	.	.			trans	-69.2	45.6	167.7	-68.8	-92.7	0	0	0	113.6	K277 E361	H200-K277 PolarHBondContact O-NZ 2.99Å; H200-E361 IonicContact CE1-OE2 3.39Å; H200-E361 IonicContact ND1-OE2 2.7Å; H200-E361 PolarHBondContact ND1-OE2 3.2Å
201	R	68.4	Low	71.9	Confident	25 Å²	25	69.9 Å²	69.9	9%	0.094	38%	0.384	C	S	.	.			trans	-76.6	138.6	171.3	-64.6	178.1	76.4	-176.8	6.4	111.6	E192 G199 K203 Y205 K206 E273	E192-R201 VanDerWaalsContact CD-NH1 3.27Å; E192-R201 WeakPolarHBondContact OE1-CD 3.32Å; E192-R201 IonicContact OE1-CZ 2.73Å; E192-R201 IonicContact OE1-NE 3.66Å; E192-R201 IonicContact OE1-NH1 3.3Å; E192-R201 PolarHBondContact OE1-NH1 3.03Å; E192-R201 IonicContact OE2-NH1 2.68Å; E192-R201 PolarHBondContact OE2-NH1 3.29Å; G199-R201 PolarHBondContact O-N 3.09Å; R201-K203 PolarHBondContact O-N 3.35Å; R201-Y205 VanDerWaalsContact CZ-O 3.25Å; R201-Y205 PolarHBondContact NH2-O 3.42Å; R201-K206 HydrophobicContact CB-CD 4.44Å; R201-K206 HydrophobicContact CB-CG 4Å; R201-K206 VanDerWaalsContact O-CE 3.26Å; R201-K206 WeakPolarHBondContact O-CE 3.49Å; R201-E273 WeakPolarHBondContact CA-OE1 3.26Å; R201-E273 WeakPolarHBondContact CB-OE2 3.45Å; R201-E273 VanDerWaalsContact CG-OE2 3.31Å; R201-E273 WeakPolarHBondContact CG-OE2 3.49Å; R201-E273 IonicContact CZ-OE2 2.66Å; R201-E273 IonicContact NE-OE2 2.73Å; R201-E273 PolarHBondContact NE-OE2 2.86Å; R201-E273 IonicContact NH2-OE2 3.11Å
202	E	76.6	Confident	72.8	Confident	49 Å²	49	67.5 Å²	67.5	23%	0.229	36%	0.364	C	S	.	.			trans	-59.8	134.4	174.5	-93.3	-172.3	-133.9	0	0	110.5	K204 Y205 K206 E273 K280	E202-K204 PolarHBondContact O-N 3.14Å; E202-Y205 HydrophobicContact CB-CD2 3.91Å; E202-Y205 HydrophobicContact CB-CE2 4.49Å; E202-Y205 PolarHBondContact O-N 3.49Å; E202-K206 PolarHBondContact O-N 2.86Å; E202-E273 PolarHBondContact N-OE1 3.4Å; E202-K280 IonicContact OE1-NZ 3.61Å; E202-K280 PolarHBondContact OE1-NZ 3.12Å; E202-K280 IonicContact OE2-NZ 2.78Å; E202-K280 PolarHBondContact OE2-NZ 3.05Å
203	K	84.6	Confident	73.6	Confident	120 Å²	120	66.9 Å²	66.9	52%	0.522	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-52	-33.7	-174.3	-59.5	-172.3	175.2	-176.3	0	114.2	R201 Y205 K206 H208 I481	R201-K203 PolarHBondContact O-N 3.35Å; K203-Y205 VanDerWaalsContact C-N 3.28Å; K203-Y205 PolarHBondContact O-N 3Å; K203-K206 PolarHBondContact O-N 2.93Å; K203-H208 PolarHBondContact O-NE2 3.2Å; K203-I481 HydrophobicContact CB-CG2 3.54Å; K203-I481 HydrophobicContact CD-CG2 3.98Å; K203-I481 WeakPolarHBondContact CD-O 3.39Å; K203-I481 HydrophobicContact CG-CG2 4.4Å; K203-I481 PolarHBondContact NZ-O 3.11Å
204	K	86.7	Confident	74.3	Confident	29 Å²	29	62.4 Å²	62.4	13%	0.126	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-58.7	-37.8	177.7	-178.9	-177.1	171.6	-156.2	0	112	E202 T408 R477 Y483	E202-K204 PolarHBondContact O-N 3.14Å; K204-T408 VanDerWaalsContact CE-O 3.25Å; K204-T408 WeakPolarHBondContact CE-O 3.45Å; K204-T408 VanDerWaalsContact CE-OG1 3.24Å; K204-T408 WeakPolarHBondContact CE-OG1 3.38Å; K204-T408 PolarHBondContact NZ-O 3.1Å; K204-R477 PolarHBondContact O-NH1 2.95Å; K204-R477 PolarHBondContact O-NH2 2.88Å; K204-Y483 HydrophobicContact CB-CD1 4.14Å; K204-Y483 HydrophobicContact CB-CD2 4.13Å; K204-Y483 HydrophobicContact CB-CE1 4.31Å; K204-Y483 HydrophobicContact CB-CE2 4.33Å; K204-Y483 HydrophobicContact CB-CG 4.06Å; K204-Y483 HydrophobicContact CD-CD2 4.28Å; K204-Y483 HydrophobicContact CD-CE2 4.14Å; K204-Y483 HydrophobicContact CG-CD2 4.14Å; K204-Y483 HydrophobicContact CG-CE1 4.39Å; K204-Y483 HydrophobicContact CG-CE2 3.9Å
205	Y	85.8	Confident	75.1	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.008	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-99.9	10.4	-174.1	-55	-77.2	0	0	0	113.8	R201 E202 K203 L269 E273 V276 Y409	R201-Y205 VanDerWaalsContact CZ-O 3.25Å; R201-Y205 PolarHBondContact NH2-O 3.42Å; E202-Y205 HydrophobicContact CB-CD2 3.91Å; E202-Y205 HydrophobicContact CB-CE2 4.49Å; E202-Y205 PolarHBondContact O-N 3.49Å; K203-Y205 VanDerWaalsContact C-N 3.28Å; K203-Y205 PolarHBondContact O-N 3Å; Y205-L269 HydrophobicContact CD1-CD2 4.49Å; Y205-E273 HydrophobicContact CD1-CB 4.2Å; Y205-E273 HydrophobicContact CD2-CB 3.74Å; Y205-E273 HydrophobicContact CD2-CG 3.68Å; Y205-E273 HydrophobicContact CE2-CB 4.36Å; Y205-E273 HydrophobicContact CE2-CG 4.37Å; Y205-E273 HydrophobicContact CG-CB 3.66Å; Y205-E273 HydrophobicContact CG-CG 4.05Å; Y205-V276 WeakPolarHBondContact OH-CG2 3.25Å; Y205-Y409 WeakPolarHBondContact CD1-O 3.5Å
206	K	84.4	Confident	75.7	Confident	64 Å²	64	55.9 Å²	55.9	28%	0.278	31%	0.314	S	S	.	.	S	Bend	trans	-86.1	151.2	165.3	-68.9	-173.4	172.2	-179	0	110.2	G199 R201 E202 K203 H208 R477	G199-K206 PolarHBondContact O-NZ 2.99Å; R201-K206 HydrophobicContact CB-CD 4.44Å; R201-K206 HydrophobicContact CB-CG 4Å; R201-K206 VanDerWaalsContact O-CE 3.26Å; R201-K206 WeakPolarHBondContact O-CE 3.49Å; E202-K206 PolarHBondContact O-N 2.86Å; K203-K206 PolarHBondContact O-N 2.93Å; K206-H208 PolarHBondContact O-CD2 3Å; K206-R477 PolarHBondContact O-NH2 2.65Å; K206-R477 VanDerWaalsContact O-NH2 3.08Å
207	A	84.2	Confident	76.1	Confident	24 Å²	24	52.4 Å²	52.4	20%	0.198	30%	0.299	C	S	.	.			trans	-73.2	140.8	167.3	0	0	0	0	0	109.6	M184 C187 V188	M184-A207 HydrophobicContact CE-CB 3.81Å; M184-A207 HydrophobicContact SD-CB 3.71Å; C187-A207 HydrophobicContact CB-CB 3.79Å; V188-A207 HydrophobicContact CG2-CB 3.95Å
208	H	85.9	Confident	76.8	Confident	53 Å²	53	49.1 Å²	49.1	25%	0.245	26%	0.264	C	S	.	.			trans	-136.2	120	-179.9	-65.6	-93	0	0	0	109.3	K203 K206 Q210 F211 G212 I481	K203-H208 PolarHBondContact O-NE2 3.2Å; K206-H208 PolarHBondContact O-CD2 3Å; H208-Q210 VanDerWaalsContact C-N 3.32Å; H208-Q210 PolarHBondContact O-N 3.27Å; H208-F211 HydrophobicContact CB-CD2 4.23Å; H208-F211 CarbonylContact O-C 3.4Å; H208-F211 WeakPolarHBondContact O-CA 3.41Å; H208-F211 PolarHBondContact O-N 2.81Å; H208-G212 PolarHBondContact O-N 3.38Å; H208-G212 VanDerWaalsContact O-N 3.15Å; H208-I481 HydrophobicContact CB-CD1 4.11Å; H208-I481 WeakPolarHBondContact CD2-CD1 3.2Å
209	R	86.1	Confident	77.4	Confident	157 Å²	157	49 Å²	49	59%	0.592	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-56.7	-40.5	-170.4	-175.2	174.6	176.9	166.1	1.1	113.9	E180 M184 F211 G212	E180-R209 HydrophobicContact CB-CG 4.32Å; E180-R209 HydrophobicContact CG-CG 4.46Å; E180-R209 WeakPolarHBondContact CG-O 3.42Å; E180-R209 VanDerWaalsContact OE2-CG 3.29Å; E180-R209 WeakPolarHBondContact OE2-CG 3.33Å; E180-R209 IonicContact OE2-CZ 3.53Å; E180-R209 IonicContact OE2-NE 2.79Å; E180-R209 PolarHBondContact OE2-NE 3.48Å; E180-R209 IonicContact OE2-NH2 2.72Å; M184-R209 HydrophobicContact CG-CB 4.28Å; M184-R209 HydrophobicContact SD-CB 4.18Å; M184-R209 PolarHBondContact SD-N 2.92Å; R209-F211 PolarHBondContact O-N 3.38Å; R209-F211 VanDerWaalsContact O-N 3.09Å; R209-G212 PolarHBondContact O-N 2.82Å
210	Q	86	Confident	77.6	Confident	124 Å²	124	49.5 Å²	49.5	58%	0.579	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-58	-22.4	176	-176.5	-179.9	-1.5	0	0	114	H208	H208-Q210 VanDerWaalsContact C-N 3.32Å; H208-Q210 PolarHBondContact O-N 3.27Å
211	F	85.6	Confident	77.7	Confident	28 Å²	28	45.6 Å²	45.6	12%	0.123	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-114.7	16.2	175.9	-57.9	-81.4	0	0	0	111.8	H208 R209 R477 E480 I481	H208-F211 HydrophobicContact CB-CD2 4.23Å; H208-F211 CarbonylContact O-C 3.4Å; H208-F211 WeakPolarHBondContact O-CA 3.41Å; H208-F211 PolarHBondContact O-N 2.81Å; R209-F211 PolarHBondContact O-N 3.38Å; R209-F211 VanDerWaalsContact O-N 3.09Å; F211-R477 HydrophobicContact CD1-CB 3.88Å; F211-R477 HydrophobicContact CD1-CG 4.06Å; F211-R477 HydrophobicContact CD2-CB 4.48Å; F211-R477 HydrophobicContact CD2-CG 3.96Å; F211-R477 HydrophobicContact CE1-CB 3.76Å; F211-R477 HydrophobicContact CE1-CG 4.27Å; F211-R477 HydrophobicContact CE2-CB 4.39Å; F211-R477 HydrophobicContact CE2-CG 4.18Å; F211-R477 HydrophobicContact CG-CB 4.25Å; F211-R477 HydrophobicContact CG-CG 3.9Å; F211-R477 HydrophobicContact CZ-CB 4.05Å; F211-R477 HydrophobicContact CZ-CG 4.34Å; F211-E480 HydrophobicContact CE2-CB 3.92Å; F211-E480 HydrophobicContact CE2-CG 3.9Å; F211-E480 HydrophobicContact CZ-CB 3.81Å; F211-E480 HydrophobicContact CZ-CG 4.09Å; F211-I481 HydrophobicContact CD2-CD1 4.11Å; F211-I481 HydrophobicContact CE2-CD1 4.21Å; F211-I481 HydrophobicContact CE2-CG1 4.37Å
212	G	82.3	Confident	78.1	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.01	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-40.7	-178.2	0	0	0	0	0	112.2	E183 H208 R209 R214	E183-G212 WeakPolarHBondContact CB-O 3.48Å; E183-G212 WeakPolarHBondContact CG-O 3.4Å; H208-G212 PolarHBondContact O-N 3.38Å; H208-G212 VanDerWaalsContact O-N 3.15Å; R209-G212 PolarHBondContact O-N 2.82Å; G212-R214 VanDerWaalsContact C-N 3.29Å; G212-R214 PolarHBondContact O-N 2.78Å
213	D	85.8	Confident	78.3	Confident	25 Å²	25	43.4 Å²	43.4	13%	0.134	23%	0.226	C	C	.	.	S	Bend	trans	-74	87.7	164.9	-169	-10.5	0	0	0	110.4	Q176 A179 E180 R215 G216	Q176-D213 HydrophobicContact CG-CB 3.97Å; A179-D213 HydrophobicContact CB-CB 3.91Å; E180-D213 HydrophobicContact CG-CB 4.42Å; D213-R215 PolarHBondContact O-N 3Å; D213-R215 WeakPolarHBondContact OD1-CB 3.3Å; D213-R215 WeakPolarHBondContact OD1-CG 3.49Å; D213-R215 IonicContact OD1-CZ 2.7Å; D213-R215 PolarHBondContact OD1-N 3.48Å; D213-R215 IonicContact OD1-NE 3.91Å; D213-R215 PolarHBondContact OD1-NE 2.94Å; D213-R215 IonicContact OD1-NH2 2.69Å; D213-R215 IonicContact OD2-CZ 2.75Å; D213-R215 IonicContact OD2-NE 2.91Å; D213-R215 PolarHBondContact OD2-NE 3.01Å; D213-R215 IonicContact OD2-NH2 3.92Å; D213-R215 PolarHBondContact OD2-NH2 3.48Å; D213-G216 PolarHBondContact O-N 3.19Å
214	R	84.3	Confident	78.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-8.3	177.7	-72.3	-162.3	-66.3	135.7	-7.9	114.6	E183 G212 V218 T223 Y224 T260 E406 Y409 Q473	E183-R214 HydrophobicContact CG-CG 4.42Å; E183-R214 VanDerWaalsContact OE1-CD 3.25Å; E183-R214 WeakPolarHBondContact OE1-CD 3.4Å; E183-R214 IonicContact OE1-NE 2.75Å; E183-R214 PolarHBondContact OE1-NE 2.9Å; E183-R214 VanDerWaalsContact OE1-NE 3.12Å; E183-R214 IonicContact OE2-CZ 2.65Å; E183-R214 IonicContact OE2-NE 3.16Å; E183-R214 PolarHBondContact OE2-NE 3.32Å; E183-R214 IonicContact OE2-NH2 2.73Å; G212-R214 VanDerWaalsContact C-N 3.29Å; G212-R214 PolarHBondContact O-N 2.78Å; R214-V218 VanDerWaalsContact O-CG2 3.3Å; R214-V218 WeakPolarHBondContact O-CG2 3.33Å; R214-T223 HydrophobicContact CB-CG2 3.65Å; R214-Y224 PolarHBondContact NH2-O 3.01Å; R214-T260 PolarHBondContact NH1-OG1 2.93Å; R214-T260 PolarHBondContact NH2-OG1 2.8Å; R214-E406 IonicContact NH1-OE2 3.57Å; R214-E406 PolarHBondContact NH1-OE2 3.06Å; R214-Y409 VanDerWaalsContact CD-OH 3.27Å; R214-Y409 WeakPolarHBondContact CD-OH 3.43Å; R214-Q473 PolarHBondContact O-NE2 3.42Å
215	R	80.6	Confident	78.2	Confident	44 Å²	44	37.5 Å²	37.5	17%	0.166	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.6	172	-53.5	168.2	-66	-179.5	8.9	112.4	E172 L174 T175 D213 G217 V218 T223 F225	E172-R215 PolarHBondContact O-NH1 3.37Å; L174-R215 VanDerWaalsContact O-CZ 3.3Å; L174-R215 PolarHBondContact O-NH1 3.49Å; L174-R215 PolarHBondContact O-NH2 3.26Å; T175-R215 PolarHBondContact O-NH2 3.02Å; D213-R215 PolarHBondContact O-N 3Å; D213-R215 WeakPolarHBondContact OD1-CB 3.3Å; D213-R215 WeakPolarHBondContact OD1-CG 3.49Å; D213-R215 IonicContact OD1-CZ 2.7Å; D213-R215 PolarHBondContact OD1-N 3.48Å; D213-R215 IonicContact OD1-NE 3.91Å; D213-R215 PolarHBondContact OD1-NE 2.94Å; D213-R215 IonicContact OD1-NH2 2.69Å; D213-R215 IonicContact OD2-CZ 2.75Å; D213-R215 IonicContact OD2-NE 2.91Å; D213-R215 PolarHBondContact OD2-NE 3.01Å; D213-R215 IonicContact OD2-NH2 3.92Å; D213-R215 PolarHBondContact OD2-NH2 3.48Å; R215-G217 PolarHBondContact O-N 3.39Å; R215-V218 PolarHBondContact O-N 2.65Å; R215-V218 VanDerWaalsContact O-N 3.14Å; R215-T223 HydrophobicContact CG-CG2 4.25Å; R215-F225 HydrophobicContact CG-CE2 4.16Å; R215-F225 HydrophobicContact CG-CZ 4.25Å
216	G	72	Confident	78.3	Confident	43 Å²	43	38.9 Å²	38.9	44%	0.443	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	119	-176.6	0	0	0	0	0	113.1	D213 V218 Q473	D213-G216 PolarHBondContact O-N 3.19Å; G216-V218 PolarHBondContact O-N 2.76Å; G216-Q473 PolarHBondContact O-NE2 3.16Å
217	G	66.6	Low	78.4	Confident	39 Å²	39	38.1 Å²	38.1	40%	0.402	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	9.3	-178.5	0	0	0	0	0	115.1	R215	R215-G217 PolarHBondContact O-N 3.39Å
218	V	66.6	Low	78.7	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.024	22%	0.222	C	C	.	.			trans	-101	112.4	177.7	-179.8	0	0	0	0	109	R214 R215 G216 A221 Y470 Q473 R587	R214-V218 VanDerWaalsContact O-CG2 3.3Å; R214-V218 WeakPolarHBondContact O-CG2 3.33Å; R215-V218 PolarHBondContact O-N 2.65Å; R215-V218 VanDerWaalsContact O-N 3.14Å; G216-V218 PolarHBondContact O-N 2.76Å; V218-A221 HydrophobicContact CG1-CB 4.06Å; V218-Y470 HydrophobicContact CB-CD1 4.43Å; V218-Y470 HydrophobicContact CG1-CD1 3.9Å; V218-Y470 HydrophobicContact CG1-CE1 3.75Å; V218-Y470 HydrophobicContact CG2-CD1 3.61Å; V218-Y470 HydrophobicContact CG2-CE1 4.05Å; V218-Q473 HydrophobicContact CG2-CB 4.34Å; V218-R587 WeakPolarHBondContact O-CD 3.48Å
219	I	59.3	Low	79	Confident	73 Å²	73	39.6 Å²	39.6	37%	0.374	22%	0.217	S	C	.	.	S	Bend	trans	-95.2	-16.6	-169.9	-55.1	176.2	0	0	0	112	R587 Q590 E591	I219-R587 VanDerWaalsContact O-CB 3.26Å; I219-R587 WeakPolarHBondContact O-CB 3.49Å; I219-Q590 HydrophobicContact CG2-CB 3.84Å; I219-E591 HydrophobicContact CG2-CB 3.85Å
220	S	57	Low	79.3	Confident	42 Å²	42	34.7 Å²	34.7	29%	0.294	21%	0.21	S	C	.	.	S	Bend	trans	-129.9	-14.6	-167.8	57.7	0	0	0	0	118.1	A469 R588	S220-A469 WeakPolarHBondContact OG-CB 3Å; S220-R588 VanDerWaalsContact CB-NH2 3.25Å; S220-R588 PolarHBondContact O-NH2 3.34Å; S220-R588 VanDerWaalsContact O-NH2 3.1Å
221	A	63.6	Low	79.5	Confident	11 Å²	11	32 Å²	32	9%	0.091	20%	0.196	C	C	.	.			trans	-113.6	146.1	-174.1	0	0	0	0	0	113.8	V218 A469 Y470 R587	V218-A221 HydrophobicContact CG1-CB 4.06Å; A221-A469 HydrophobicContact CB-CB 3.9Å; A221-Y470 HydrophobicContact CB-CE1 4.13Å; A221-Y470 HydrophobicContact CB-CE2 4.4Å; A221-Y470 VanDerWaalsContact CB-OH 3.26Å; A221-Y470 WeakPolarHBondContact CB-OH 3.34Å; A221-R587 PolarHBondContact O-NE 2.98Å
222	R	75.8	Confident	79.8	Confident	16 Å²	16	30.9 Å²	30.9	6%	0.06	19%	0.192	C	C	.	.			trans	-72.5	147.1	169.3	178.3	164.6	177.9	-151.4	3.2	110.8	D167 Y168 V170 E171 Y224 K258	D167-R222 IonicContact OD1-NH1 2.72Å; Y168-R222 PolarHBondContact O-NH1 3.08Å; V170-R222 PolarHBondContact O-NE 3.38Å; V170-R222 PolarHBondContact O-NH2 3.18Å; E171-R222 HydrophobicContact CG-CG 3.9Å; E171-R222 VanDerWaalsContact OE1-CB 3.3Å; E171-R222 WeakPolarHBondContact OE1-CB 3.47Å; E171-R222 VanDerWaalsContact OE1-CG 3.25Å; E171-R222 WeakPolarHBondContact OE1-CG 3.43Å; R222-Y224 HydrophobicContact CG-CD2 4.38Å; R222-Y224 HydrophobicContact CG-CE2 3.98Å; R222-Y224 VanDerWaalsContact CZ-CE1 3.45Å; R222-Y224 PolarHBondContact NH1-OH 2.91Å; R222-K258 WeakPolarHBondContact O-CD 3.4Å; R222-K258 VanDerWaalsContact O-CE 3.24Å; R222-K258 WeakPolarHBondContact O-CE 3.32Å
223	T	81.1	Confident	80.4	Confident	12 Å²	12	34 Å²	34	7%	0.074	21%	0.209	C	C	.	.			trans	-124.6	137.8	177.2	-62	0	0	0	0	109.1	R214 R215 F225	R214-T223 HydrophobicContact CB-CG2 3.65Å; R215-T223 HydrophobicContact CG-CG2 4.25Å; T223-F225 HydrophobicContact CG2-CD2 4.36Å; T223-F225 HydrophobicContact CG2-CE1 4.3Å; T223-F225 HydrophobicContact CG2-CE2 3.73Å; T223-F225 HydrophobicContact CG2-CZ 3.7Å
224	Y	84.3	Confident	80.7	Confident	14 Å²	14	37.6 Å²	37.6	6%	0.055	23%	0.228	C	C	.	.			trans	-113.1	133.7	175.1	-65.8	-100.6	0	0	0	109.3	R214 R222 Q235 F239 K258 A261	R214-Y224 PolarHBondContact NH2-O 3.01Å; R222-Y224 HydrophobicContact CG-CD2 4.38Å; R222-Y224 HydrophobicContact CG-CE2 3.98Å; R222-Y224 VanDerWaalsContact CZ-CE1 3.45Å; R222-Y224 PolarHBondContact NH1-OH 2.91Å; Y224-Q235 HydrophobicContact CD1-CG 4.23Å; Y224-Q235 HydrophobicContact CE1-CG 4.17Å; Y224-F239 AromaticContact CZ-CZ 3.9Å; Y224-F239 WeakPolarHBondContact OH-CE1 3.37Å; Y224-F239 WeakPolarHBondContact OH-CZ 3.34Å; Y224-K258 HydrophobicContact CD2-CB 4.08Å; Y224-K258 HydrophobicContact CD2-CD 4.1Å; Y224-K258 HydrophobicContact CE2-CB 3.78Å; Y224-K258 HydrophobicContact CE2-CD 3.87Å; Y224-K258 HydrophobicContact CE2-CG 4.05Å; Y224-A261 HydrophobicContact CD1-CB 3.47Å; Y224-A261 VanDerWaalsContact CD1-CB 3.47Å; Y224-A261 HydrophobicContact CD2-CB 3.84Å; Y224-A261 HydrophobicContact CE1-CB 3.47Å; Y224-A261 VanDerWaalsContact CE1-CB 3.47Å; Y224-A261 HydrophobicContact CE2-CB 3.87Å; Y224-A261 HydrophobicContact CG-CB 3.62Å
225	F	85.5	Confident	81	Confident	11 Å²	11	38.8 Å²	38.8	5%	0.048	23%	0.233	C	C	.	.			trans	-104.1	126.4	172.4	-64.1	-85	0	0	0	108.8	L174 A179 K182 E183 R215 T223	L174-F225 HydrophobicContact CD1-CB 4Å; L174-F225 HydrophobicContact CD1-CD2 3.55Å; L174-F225 HydrophobicContact CD1-CE2 4.22Å; L174-F225 HydrophobicContact CD1-CG 3.82Å; A179-F225 HydrophobicContact CB-CD1 4.37Å; A179-F225 HydrophobicContact CB-CE1 3.75Å; A179-F225 HydrophobicContact CB-CE2 4.08Å; A179-F225 HydrophobicContact CB-CZ 3.58Å; K182-F225 HydrophobicContact CB-CB 4.11Å; K182-F225 HydrophobicContact CB-CD1 4.41Å; K182-F225 HydrophobicContact CD-CB 3.73Å; E183-F225 HydrophobicContact CB-CD1 4.36Å; E183-F225 HydrophobicContact CB-CE1 4.34Å; R215-F225 HydrophobicContact CG-CE2 4.16Å; R215-F225 HydrophobicContact CG-CZ 4.25Å; T223-F225 HydrophobicContact CG2-CD2 4.36Å; T223-F225 HydrophobicContact CG2-CE1 4.3Å; T223-F225 HydrophobicContact CG2-CE2 3.73Å; T223-F225 HydrophobicContact CG2-CZ 3.7Å
226	Y	87.4	Confident	81.7	Confident	31 Å²	31	37.5 Å²	37.5	12%	0.122	23%	0.229	C	C	.	.			trans	-65.8	142.3	175.5	179.1	-89.6	0	0	0	110	R264	Y226-R264 HydrophobicContact CD1-CG 4.31Å; Y226-R264 HydrophobicContact CD2-CB 4.18Å; Y226-R264 HydrophobicContact CE1-CB 4.43Å; Y226-R264 HydrophobicContact CE1-CG 4.28Å; Y226-R264 HydrophobicContact CE2-CB 3.99Å; Y226-R264 HydrophobicContact CG-CB 4.48Å
227	A	87.4	Confident	82.8	Confident	49 Å²	49	39.7 Å²	39.7	41%	0.405	23%	0.228	S	C	.	.			trans	-126.3	-58	173.5	0	0	0	0	0	108.9	K231	A227-K231 HydrophobicContact CB-CB 4.36Å; A227-K231 HydrophobicContact CB-CG 4.47Å
228	D	89.6	Confident	83.9	Confident	78 Å²	78	39.4 Å²	39.4	42%	0.417	22%	0.218	S	C	.	.			trans	-158.1	178.2	178.6	55.4	59.6	0	0	0	110.7	A230 K231 C232	D228-A230 WeakPolarHBondContact OD1-CA 3.33Å; D228-A230 WeakPolarHBondContact OD1-CB 3.39Å; D228-A230 PolarHBondContact OD1-N 2.99Å; D228-K231 PolarHBondContact O-N 3.35Å; D228-K231 PolarHBondContact OD1-N 3.03Å; D228-C232 PolarHBondContact O-N 2.75Å; D228-C232 PolarHBondContact O-SG 3.42Å
229	E	91.6	Very high	85.2	Confident	29 Å²	29	39.4 Å²	39.4	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-37.9	178.2	-68.1	-69.8	178.5	0	0	113	K231 C232 D233 Q379 R382 R386	E229-K231 VanDerWaalsContact C-N 3.26Å; E229-K231 PolarHBondContact O-N 3.46Å; E229-C232 CarbonylContact O-C 3.03Å; E229-C232 WeakPolarHBondContact O-CA 3.27Å; E229-C232 VanDerWaalsContact O-CB 3.3Å; E229-C232 WeakPolarHBondContact O-CB 3.36Å; E229-C232 PolarHBondContact O-N 2.71Å; E229-D233 PolarHBondContact O-N 2.93Å; E229-Q379 WeakPolarHBondContact OE1-CG 3.05Å; E229-R382 VanDerWaalsContact CD-NH2 3.33Å; E229-R382 IonicContact OE1-CZ 3.35Å; E229-R382 VanDerWaalsContact OE1-CZ 3.26Å; E229-R382 IonicContact OE1-NE 2.77Å; E229-R382 PolarHBondContact OE1-NE 2.73Å; E229-R382 IonicContact OE1-NH2 2.75Å; E229-R382 PolarHBondContact OE1-NH2 3.47Å; E229-R382 IonicContact OE2-NE 2.69Å; E229-R382 PolarHBondContact OE2-NE 3.1Å; E229-R386 PolarHBondContact O-NH2 3.45Å; E229-R386 IonicContact OE2-CZ 3.39Å; E229-R386 IonicContact OE2-NH1 3.7Å; E229-R386 PolarHBondContact OE2-NH1 3.28Å; E229-R386 IonicContact OE2-NH2 3.1Å; E229-R386 PolarHBondContact OE2-NH2 3.34Å
230	A	92.4	Very high	86.9	Confident	55 Å²	55	36 Å²	36	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-65	-33	179.1	0	0	0	0	0	111.3	D228 D233 N234	D228-A230 WeakPolarHBondContact OD1-CA 3.33Å; D228-A230 WeakPolarHBondContact OD1-CB 3.39Å; D228-A230 PolarHBondContact OD1-N 2.99Å; A230-D233 PolarHBondContact O-N 3.43Å; A230-N234 PolarHBondContact O-N 3.24Å; A230-N234 PolarHBondContact O-ND2 3.28Å
231	K	90.6	Very high	88.5	Confident	66 Å²	66	37.2 Å²	37.2	29%	0.287	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-42	169.7	-170.5	74.8	-166.9	-154.6	0	111	E172 A227 D228 E229 D233 N234 Q235	E172-K231 WeakPolarHBondContact OE1-CE 3.43Å; E172-K231 IonicContact OE1-NZ 2.71Å; E172-K231 PolarHBondContact OE1-NZ 2.73Å; A227-K231 HydrophobicContact CB-CB 4.36Å; A227-K231 HydrophobicContact CB-CG 4.47Å; D228-K231 PolarHBondContact O-N 3.35Å; D228-K231 PolarHBondContact OD1-N 3.03Å; E229-K231 VanDerWaalsContact C-N 3.26Å; E229-K231 PolarHBondContact O-N 3.46Å; K231-D233 VanDerWaalsContact C-N 3.34Å; K231-N234 PolarHBondContact O-N 3.07Å; K231-Q235 WeakPolarHBondContact O-CG 3.43Å; K231-Q235 PolarHBondContact O-N 2.8Å
232	C	92.9	Very high	89.8	Confident	5 Å²	5	36.8 Å²	36.8	3%	0.034	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-37.6	176.8	-59.4	0	0	0	0	111.8	D228 E229 Q235 M236 R386	D228-C232 PolarHBondContact O-N 2.75Å; D228-C232 PolarHBondContact O-SG 3.42Å; E229-C232 CarbonylContact O-C 3.03Å; E229-C232 WeakPolarHBondContact O-CA 3.27Å; E229-C232 VanDerWaalsContact O-CB 3.3Å; E229-C232 WeakPolarHBondContact O-CB 3.36Å; E229-C232 PolarHBondContact O-N 2.71Å; C232-Q235 PolarHBondContact O-N 3.26Å; C232-M236 PolarHBondContact O-N 2.75Å; C232-R386 VanDerWaalsContact CB-CZ 3.5Å
233	D	94.4	Very high	90.6	Very high	68 Å²	68	36 Å²	36	36%	0.364	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-43.6	172.7	-62.3	-35.7	0	0	0	111.6	E229 A230 K231 Q235 M236 E237 R386	E229-D233 PolarHBondContact O-N 2.93Å; A230-D233 PolarHBondContact O-N 3.43Å; K231-D233 VanDerWaalsContact C-N 3.34Å; D233-Q235 VanDerWaalsContact C-N 3.32Å; D233-Q235 PolarHBondContact O-N 2.83Å; D233-M236 WeakPolarHBondContact O-CB 3.5Å; D233-M236 PolarHBondContact O-N 3.16Å; D233-M236 VanDerWaalsContact O-N 3.11Å; D233-E237 PolarHBondContact O-N 2.97Å; D233-R386 IonicContact OD1-CZ 3.2Å; D233-R386 IonicContact OD1-NE 3.24Å; D233-R386 PolarHBondContact OD1-NE 3.45Å; D233-R386 IonicContact OD1-NH2 2.76Å; D233-R386 PolarHBondContact OD1-NH2 3Å; D233-R386 IonicContact OD2-NH2 3.97Å
234	N	91.8	Very high	91.1	Very high	100 Å²	100	40 Å²	40	54%	0.535	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-35	174.3	-75.4	-59.8	0	0	0	113.1	A230 K231 T238	A230-N234 PolarHBondContact O-N 3.24Å; A230-N234 PolarHBondContact O-ND2 3.28Å; K231-N234 PolarHBondContact O-N 3.07Å; N234-T238 WeakPolarHBondContact O-CB 3.44Å; N234-T238 PolarHBondContact O-N 3.24Å; N234-T238 PolarHBondContact O-OG1 2.78Å
235	Q	91.6	Very high	91.3	Very high	24 Å²	24	40 Å²	40	11%	0.112	22%	0.217	C	C	.	.	H	α-helix	trans	-70.4	-38	171.7	-61.2	-59.2	-11.4	0	0	111.7	Y224 K231 C232 D233 T238 F239 A261	Y224-Q235 HydrophobicContact CD1-CG 4.23Å; Y224-Q235 HydrophobicContact CE1-CG 4.17Å; K231-Q235 WeakPolarHBondContact O-CG 3.43Å; K231-Q235 PolarHBondContact O-N 2.8Å; C232-Q235 PolarHBondContact O-N 3.26Å; D233-Q235 VanDerWaalsContact C-N 3.32Å; D233-Q235 PolarHBondContact O-N 2.83Å; Q235-T238 WeakPolarHBondContact O-CB 3.48Å; Q235-T238 PolarHBondContact O-N 2.96Å; Q235-F239 HydrophobicContact CB-CE2 4.33Å; Q235-F239 WeakPolarHBondContact O-CD2 3.28Å; Q235-F239 WeakPolarHBondContact O-CG 3.35Å; Q235-F239 PolarHBondContact O-N 3.38Å; Q235-A261 HydrophobicContact CB-CB 4.15Å; Q235-A261 HydrophobicContact CG-CB 4.32Å
236	M	94.9	Very high	91.4	Very high	17 Å²	17	39.5 Å²	39.5	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-50.5	172.9	-176.1	-172.5	66.8	0	0	111.1	C232 D233 T238 F239 I240 L262 R386 I389 L390	C232-M236 PolarHBondContact O-N 2.75Å; D233-M236 WeakPolarHBondContact O-CB 3.5Å; D233-M236 PolarHBondContact O-N 3.16Å; D233-M236 VanDerWaalsContact O-N 3.11Å; M236-T238 PolarHBondContact O-N 2.71Å; M236-F239 CarbonylContact O-C 3.43Å; M236-F239 PolarHBondContact O-N 2.88Å; M236-I240 HydrophobicContact CE-CD1 4.37Å; M236-I240 HydrophobicContact CG-CD1 4.09Å; M236-I240 HydrophobicContact CG-CG1 4.48Å; M236-I240 WeakPolarHBondContact O-CG1 3.28Å; M236-I240 PolarHBondContact O-N 2.83Å; M236-L262 HydrophobicContact CB-CD2 4.27Å; M236-R386 HydrophobicContact CG-CB 4.33Å; M236-R386 HydrophobicContact CG-CG 4.49Å; M236-R386 HydrophobicContact SD-CB 3.78Å; M236-R386 HydrophobicContact SD-CG 3.66Å; M236-I389 HydrophobicContact CE-CD1 4.43Å; M236-I389 HydrophobicContact CE-CG2 4.49Å; M236-I389 HydrophobicContact SD-CB 4.06Å; M236-I389 HydrophobicContact SD-CD1 3.96Å; M236-I389 HydrophobicContact SD-CG2 3.85Å; M236-L390 HydrophobicContact CG-CD1 4.39Å; M236-L390 HydrophobicContact CG-CD2 3.99Å; M236-L390 HydrophobicContact CG-CG 4.06Å
237	E	93.9	Very high	91.4	Very high	89 Å²	89	39.3 Å²	39.3	42%	0.416	22%	0.222	S	C	.	.	H	α-helix	trans	-58.6	-37.7	175.9	-73.9	-56.8	139.1	0	0	112.3	D233 I240 N241	D233-E237 PolarHBondContact O-N 2.97Å; E237-I240 PolarHBondContact O-N 3.45Å; E237-N241 PolarHBondContact O-N 3.18Å; E237-N241 PolarHBondContact O-ND2 3.07Å
238	T	90.8	Very high	91.1	Very high	33 Å²	33	39.9 Å²	39.9	20%	0.202	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-47.5	173.1	-60.3	0	0	0	0	111.2	Y168 N234 Q235 M236 N241 C242	Y168-T238 HydrophobicContact CD1-CG2 3.28Å; Y168-T238 HydrophobicContact CE1-CG2 3.94Å; Y168-T238 HydrophobicContact CG-CG2 3.86Å; N234-T238 WeakPolarHBondContact O-CB 3.44Å; N234-T238 PolarHBondContact O-N 3.24Å; N234-T238 PolarHBondContact O-OG1 2.78Å; Q235-T238 WeakPolarHBondContact O-CB 3.48Å; Q235-T238 PolarHBondContact O-N 2.96Å; M236-T238 PolarHBondContact O-N 2.71Å; T238-N241 PolarHBondContact O-N 2.61Å; T238-C242 PolarHBondContact O-N 2.87Å; T238-C242 PolarHBondContact O-SG 3.23Å
239	F	93.8	Very high	90.3	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-35	175.5	-63.2	-56.2	0	0	0	113.2	Y224 Q235 M236 N241 C242 I243 I257 A261 L262 L390	Y224-F239 AromaticContact CZ-CZ 3.9Å; Y224-F239 WeakPolarHBondContact OH-CE1 3.37Å; Y224-F239 WeakPolarHBondContact OH-CZ 3.34Å; Q235-F239 HydrophobicContact CB-CE2 4.33Å; Q235-F239 WeakPolarHBondContact O-CD2 3.28Å; Q235-F239 WeakPolarHBondContact O-CG 3.35Å; Q235-F239 PolarHBondContact O-N 3.38Å; M236-F239 CarbonylContact O-C 3.43Å; M236-F239 PolarHBondContact O-N 2.88Å; F239-N241 VanDerWaalsContact C-N 3.26Å; F239-N241 PolarHBondContact O-N 2.83Å; F239-C242 WeakPolarHBondContact O-CB 3.41Å; F239-C242 PolarHBondContact O-N 2.88Å; F239-I243 WeakPolarHBondContact O-CD1 3.31Å; F239-I243 VanDerWaalsContact O-CG1 3.24Å; F239-I243 WeakPolarHBondContact O-CG1 3.46Å; F239-I243 PolarHBondContact O-N 3.15Å; F239-I257 HydrophobicContact CB-CG2 4.14Å; F239-I257 HydrophobicContact CD1-CB 4.33Å; F239-I257 HydrophobicContact CD1-CG2 3.75Å; F239-I257 HydrophobicContact CD2-CG2 4.26Å; F239-I257 HydrophobicContact CE1-CB 4.21Å; F239-I257 HydrophobicContact CE1-CG2 4.14Å; F239-I257 HydrophobicContact CE2-CB 4.45Å; F239-I257 HydrophobicContact CG-CB 4.5Å; F239-I257 HydrophobicContact CG-CG2 3.82Å; F239-I257 HydrophobicContact CZ-CB 4.26Å; F239-A261 HydrophobicContact CE2-CB 3.72Å; F239-A261 HydrophobicContact CZ-CB 3.84Å; F239-L262 HydrophobicContact CD2-CD2 3.92Å; F239-L262 HydrophobicContact CE2-CD2 3.84Å; F239-L262 HydrophobicContact CE2-CG 4.36Å; F239-L390 HydrophobicContact CB-CD1 4.23Å; F239-L390 HydrophobicContact CB-CD2 3.58Å; F239-L390 HydrophobicContact CD2-CD1 4.06Å
240	I	94.6	Very high	89.4	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-40.3	173.1	-68	172.5	0	0	0	110.3	M236 E237 I243 K244 I389 L390	M236-I240 HydrophobicContact CE-CD1 4.37Å; M236-I240 HydrophobicContact CG-CD1 4.09Å; M236-I240 HydrophobicContact CG-CG1 4.48Å; M236-I240 WeakPolarHBondContact O-CG1 3.28Å; M236-I240 PolarHBondContact O-N 2.83Å; E237-I240 PolarHBondContact O-N 3.45Å; I240-I243 PolarHBondContact O-N 3.15Å; I240-K244 HydrophobicContact CG2-CD 4.05Å; I240-K244 VanDerWaalsContact CG2-CE 3.46Å; I240-K244 WeakPolarHBondContact O-CG 3.44Å; I240-K244 PolarHBondContact O-N 3.19Å; I240-I389 HydrophobicContact CD1-CG2 4.1Å; I240-L390 HydrophobicContact CG1-CD2 3.67Å
241	N	90.9	Very high	88.4	Confident	67 Å²	67	39.7 Å²	39.7	36%	0.358	23%	0.226	S	C	.	.	H	α-helix	trans	-69.1	-38.9	175.1	-68.2	-45.9	0	0	0	112.4	E237 T238 F239 I243 K244 A245	E237-N241 PolarHBondContact O-N 3.18Å; E237-N241 PolarHBondContact O-ND2 3.07Å; T238-N241 PolarHBondContact O-N 2.61Å; F239-N241 VanDerWaalsContact C-N 3.26Å; F239-N241 PolarHBondContact O-N 2.83Å; N241-I243 VanDerWaalsContact C-N 3.33Å; N241-I243 PolarHBondContact O-N 3.34Å; N241-K244 PolarHBondContact O-N 2.88Å; N241-A245 VanDerWaalsContact O-CB 3.31Å; N241-A245 WeakPolarHBondContact O-CB 3.48Å; N241-A245 PolarHBondContact O-N 3.11Å
242	C	90.4	Very high	88	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-45.7	169.8	-59.9	0	0	0	0	111.9	T238 F239 A245 S246 S255 Y575	T238-C242 PolarHBondContact O-N 2.87Å; T238-C242 PolarHBondContact O-SG 3.23Å; F239-C242 WeakPolarHBondContact O-CB 3.41Å; F239-C242 PolarHBondContact O-N 2.88Å; C242-A245 PolarHBondContact O-N 3.3Å; C242-S246 WeakPolarHBondContact O-CB 3.41Å; C242-S246 PolarHBondContact O-N 3.11Å; C242-S255 VanDerWaalsContact CB-OG 3.31Å; C242-S255 WeakPolarHBondContact CB-OG 3.25Å; C242-Y575 PolarHBondContact SG-OH 2.9Å
243	I	92.9	Very high	87.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-53.3	179.1	-69.8	161.4	0	0	0	110.4	F239 I240 N241 A245 S246 G247 L390 H393 A394 N397 V399 L401	F239-I243 WeakPolarHBondContact O-CD1 3.31Å; F239-I243 VanDerWaalsContact O-CG1 3.24Å; F239-I243 WeakPolarHBondContact O-CG1 3.46Å; F239-I243 PolarHBondContact O-N 3.15Å; I240-I243 PolarHBondContact O-N 3.15Å; N241-I243 VanDerWaalsContact C-N 3.33Å; N241-I243 PolarHBondContact O-N 3.34Å; I243-A245 VanDerWaalsContact C-N 3.28Å; I243-A245 PolarHBondContact O-N 3.37Å; I243-S246 PolarHBondContact O-N 3.21Å; I243-S246 VanDerWaalsContact O-N 3.11Å; I243-G247 PolarHBondContact O-N 2.88Å; I243-L390 HydrophobicContact CD1-CB 4.39Å; I243-L390 HydrophobicContact CD1-CD2 3.89Å; I243-H393 HydrophobicContact CD1-CB 4.44Å; I243-H393 HydrophobicContact CG2-CB 4.44Å; I243-A394 HydrophobicContact CD1-CB 4.47Å; I243-A394 HydrophobicContact CG2-CB 4.41Å; I243-N397 HydrophobicContact CG2-CB 4.02Å; I243-V399 HydrophobicContact CG2-CB 4.27Å; I243-V399 HydrophobicContact CG2-CG1 4.45Å; I243-L401 HydrophobicContact CD1-CD2 3.77Å; I243-L401 HydrophobicContact CG1-CD2 3.82Å
244	K	91.4	Very high	87.7	Confident	95 Å²	95	35.4 Å²	35.4	41%	0.413	21%	0.206	S	C	.	.	H	α-helix	trans	-57.9	-40.2	178.4	-71.8	167.9	-178.3	168.2	0	111.9	I240 N241 G248	I240-K244 HydrophobicContact CG2-CD 4.05Å; I240-K244 VanDerWaalsContact CG2-CE 3.46Å; I240-K244 WeakPolarHBondContact O-CG 3.44Å; I240-K244 PolarHBondContact O-N 3.19Å; N241-K244 PolarHBondContact O-N 2.88Å; K244-G248 PolarHBondContact O-N 3.03Å
245	A	87.8	Confident	87.8	Confident	15 Å²	15	30.6 Å²	30.6	12%	0.124	18%	0.181	C	C	.	.	H	α-helix	trans	-69.5	-36.3	176.6	0	0	0	0	0	113.1	H147 L166 N241 C242 I243 A249	H147-A245 HydrophobicContact CB-CB 4.02Å; H147-A245 WeakPolarHBondContact CD2-CB 3.4Å; L166-A245 HydrophobicContact CD1-CB 3.82Å; N241-A245 VanDerWaalsContact O-CB 3.31Å; N241-A245 WeakPolarHBondContact O-CB 3.48Å; N241-A245 PolarHBondContact O-N 3.11Å; C242-A245 PolarHBondContact O-N 3.3Å; I243-A245 VanDerWaalsContact C-N 3.28Å; I243-A245 PolarHBondContact O-N 3.37Å; A245-A249 WeakPolarHBondContact O-CB 3.34Å; A245-A249 PolarHBondContact O-N 2.91Å
246	S	88.4	Confident	87.8	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-46.7	177.7	-169.4	0	0	0	0	111.3	C242 I243 A249 S250 F254	C242-S246 WeakPolarHBondContact O-CB 3.41Å; C242-S246 PolarHBondContact O-N 3.11Å; I243-S246 PolarHBondContact O-N 3.21Å; I243-S246 VanDerWaalsContact O-N 3.11Å; S246-A249 PolarHBondContact O-N 3.14Å; S246-S250 PolarHBondContact O-N 2.7Å; S246-S250 PolarHBondContact O-OG 3.47Å; S246-S250 VanDerWaalsContact O-OG 3.13Å; S246-F254 PolarHBondContact OG-N 3.43Å; S246-F254 PolarHBondContact OG-O 2.86Å
247	G	87	Confident	87.7	Confident	26 Å²	26	29 Å²	29	27%	0.268	17%	0.173	S	C	.	.	H	α-helix	trans	-68.9	-33.7	176.3	0	0	0	0	0	113.4	I243 A249 V399	I243-G247 PolarHBondContact O-N 2.88Å; G247-A249 VanDerWaalsContact C-N 3.35Å; G247-V399 VanDerWaalsContact CA-CG2 3.47Å
248	G	81.5	Confident	87.7	Confident	61 Å²	61	25 Å²	25	63%	0.629	16%	0.155	S	C	*	.	H	α-helix	trans	-77.9	-11.7	175.3	0	0	0	0	0	115.4	K244	K244-G248 PolarHBondContact O-N 3.03Å
249	A	72.8	Confident	87.8	Confident	6 Å²	6	23.4 Å²	23.4	5%	0.05	15%	0.145	C	C	.	.	H	α-helix	trans	-114.9	-14.7	-177.5	0	0	0	0	0	114.2	I154 Q158 A245 S246 G247	I154-A249 HydrophobicContact CD1-CB 3.84Å; I154-A249 HydrophobicContact CG2-CB 4.03Å; I154-A249 WeakPolarHBondContact CG2-O 3.4Å; Q158-A249 PolarHBondContact OE1-O 3.39Å; A245-A249 WeakPolarHBondContact O-CB 3.34Å; A245-A249 PolarHBondContact O-N 2.91Å; S246-A249 PolarHBondContact O-N 3.14Å; G247-A249 VanDerWaalsContact C-N 3.35Å
250	S	72.4	Confident	87.8	Confident	8 Å²	8	23.4 Å²	23.4	6%	0.056	15%	0.145	C	C	.	.			trans	-156.1	139.9	177.7	58.3	0	0	0	0	112.1	S246	S246-S250 PolarHBondContact O-N 2.7Å; S246-S250 PolarHBondContact O-OG 3.47Å; S246-S250 VanDerWaalsContact O-OG 3.13Å
251	N	71.8	Confident	87.7	Confident	144 Å²	144	23.5 Å²	23.5	77%	0.77	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	134.3	163.9	-66.4	-22.9	0	0	0	108.4	G253	N251-G253 VanDerWaalsContact C-N 3.31Å; N251-G253 PolarHBondContact O-N 3.23Å
252	D	81	Confident	87.8	Confident	49 Å²	49	20.3 Å²	20.3	26%	0.262	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	23.3	172.7	-144.1	46.1	0	0	0	115.3	R400 Y570	D252-R400 VanDerWaalsContact CG-CZ 3.48Å; D252-R400 PolarHBondContact O-NH1 3.28Å; D252-R400 IonicContact OD1-CZ 2.99Å; D252-R400 VanDerWaalsContact OD1-CZ 3.3Å; D252-R400 IonicContact OD1-NH1 3.65Å; D252-R400 PolarHBondContact OD1-NH1 3.25Å; D252-R400 IonicContact OD1-NH2 2.82Å; D252-R400 PolarHBondContact OD1-NH2 3.04Å; D252-R400 IonicContact OD2-CZ 2.62Å; D252-R400 IonicContact OD2-NH1 3Å; D252-R400 PolarHBondContact OD2-NH1 3.14Å; D252-R400 IonicContact OD2-NH2 3.86Å; D252-R400 PolarHBondContact OD2-NH2 3.3Å; D252-Y570 PolarHBondContact O-OH 3.34Å; D252-Y570 VanDerWaalsContact O-OH 3.14Å
253	G	88.6	Confident	87.8	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.129	C	C	.	.			trans	-64.5	168.9	-179.8	0	0	0	0	0	115.9	N251 V399 R400	N251-G253 VanDerWaalsContact C-N 3.31Å; N251-G253 PolarHBondContact O-N 3.23Å; G253-V399 WeakPolarHBondContact O-CA 3.36Å; G253-R400 PolarHBondContact O-N 2.9Å
254	F	93.4	Very high	87.6	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.7	174.7	-70.3	-106.6	0	0	0	111.9	A164 V165 L166 S246 R400 M402 F433 M518 Y547 Y570	A164-F254 PolarHBondContact O-N 3.02Å; V165-F254 HydrophobicContact CB-CB 4.11Å; V165-F254 HydrophobicContact CG1-CB 3.79Å; V165-F254 HydrophobicContact CG2-CB 3.9Å; V165-F254 HydrophobicContact CG2-CG 4.4Å; L166-F254 PolarHBondContact N-O 3.11Å; L166-F254 VanDerWaalsContact N-O 3.15Å; S246-F254 PolarHBondContact OG-N 3.43Å; S246-F254 PolarHBondContact OG-O 2.86Å; F254-R400 CarbonylContact C-O 3.43Å; F254-R400 VanDerWaalsContact CA-O 3.28Å; F254-R400 WeakPolarHBondContact CA-O 3.3Å; F254-R400 HydrophobicContact CD1-CB 3.42Å; F254-R400 VanDerWaalsContact CD1-CB 3.42Å; F254-R400 HydrophobicContact CD1-CG 4.4Å; F254-R400 HydrophobicContact CE1-CB 3.62Å; F254-R400 VanDerWaalsContact CE1-CD 3.42Å; F254-R400 HydrophobicContact CE1-CG 4.2Å; F254-R400 HydrophobicContact CG-CB 3.94Å; F254-R400 HydrophobicContact CZ-CB 4.29Å; F254-R400 HydrophobicContact CZ-CG 4.47Å; F254-M402 HydrophobicContact CD1-CE 3.55Å; F254-M402 HydrophobicContact CE1-CE 3.58Å; F254-M402 HydrophobicContact CG-CE 4.42Å; F254-M402 HydrophobicContact CZ-CE 4.47Å; F254-F433 HydrophobicContact CE1-CD1 4.4Å; F254-F433 HydrophobicContact CE1-CD2 4.01Å; F254-F433 HydrophobicContact CE1-CE1 4.35Å; F254-F433 AromaticContact CE1-CE2 4Å; F254-F433 HydrophobicContact CE1-CE2 4Å; F254-F433 HydrophobicContact CE1-CG 4.25Å; F254-F433 HydrophobicContact CE1-CZ 4.15Å; F254-F433 HydrophobicContact CZ-CZ 4.33Å; F254-M518 HydrophobicContact CD2-CE 4.48Å; F254-M518 HydrophobicContact CE1-CE 4.38Å; F254-M518 HydrophobicContact CE2-CE 3.93Å; F254-M518 HydrophobicContact CZ-CE 3.86Å; F254-Y547 AromaticContact CE2-CD1 3.92Å; F254-Y547 HydrophobicContact CE2-CD1 3.92Å; F254-Y547 HydrophobicContact CE2-CE1 4.09Å; F254-Y547 AromaticContact CZ-CD1 3.92Å; F254-Y547 HydrophobicContact CZ-CD1 3.92Å; F254-Y547 HydrophobicContact CZ-CE1 4.05Å; F254-Y570 AromaticContact CD2-CD1 3.68Å; F254-Y570 HydrophobicContact CD2-CD1 3.68Å; F254-Y570 AromaticContact CD2-CE1 3.54Å; F254-Y570 HydrophobicContact CD2-CE1 3.54Å; F254-Y570 HydrophobicContact CD2-CE2 4.47Å; F254-Y570 HydrophobicContact CD2-CG 4.2Å; F254-Y570 AromaticContact CD2-CZ 3.98Å; F254-Y570 HydrophobicContact CE2-CD1 4.12Å; F254-Y570 HydrophobicContact CE2-CD2 4.21Å; F254-Y570 AromaticContact CE2-CE1 3.8Å; F254-Y570 HydrophobicContact CE2-CE1 3.8Å; F254-Y570 AromaticContact CE2-CE2 3.95Å; F254-Y570 HydrophobicContact CE2-CE2 3.95Å; F254-Y570 HydrophobicContact CE2-CG 4.33Å; F254-Y570 AromaticContact CE2-CZ 3.71Å
255	S	93.3	Very high	87.6	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.5	166	-170.5	0	0	0	0	109.8	C242 R400 L401 M402	C242-S255 VanDerWaalsContact CB-OG 3.31Å; C242-S255 WeakPolarHBondContact CB-OG 3.25Å; S255-R400 PolarHBondContact N-O 3.4Å; S255-L401 WeakPolarHBondContact O-CA 3.38Å; S255-M402 PolarHBondContact O-N 3.39Å
256	A	91.9	Very high	87.5	Confident	4 Å²	4	16 Å²	16	3%	0.033	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.6	177.4	0	0	0	0	0	111.8	V165 L166 M402 Y572	V165-A256 HydrophobicContact CG1-CB 4.24Å; L166-A256 PolarHBondContact O-N 2.75Å; A256-M402 WeakPolarHBondContact CA-O 3.26Å; A256-Y572 HydrophobicContact CB-CE2 3.78Å
257	I	93.5	Very high	87.3	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.3	174.7	69.6	168.9	0	0	0	111.3	F239 L262 L390 L401 M402 V403 D404	F239-I257 HydrophobicContact CB-CG2 4.14Å; F239-I257 HydrophobicContact CD1-CB 4.33Å; F239-I257 HydrophobicContact CD1-CG2 3.75Å; F239-I257 HydrophobicContact CD2-CG2 4.26Å; F239-I257 HydrophobicContact CE1-CB 4.21Å; F239-I257 HydrophobicContact CE1-CG2 4.14Å; F239-I257 HydrophobicContact CE2-CB 4.45Å; F239-I257 HydrophobicContact CG-CB 4.5Å; F239-I257 HydrophobicContact CG-CG2 3.82Å; F239-I257 HydrophobicContact CZ-CB 4.26Å; I257-L262 HydrophobicContact CD1-CD1 4.36Å; I257-L390 HydrophobicContact CD1-CD1 4.21Å; I257-L390 HydrophobicContact CG2-CD1 4.38Å; I257-L401 HydrophobicContact CD1-CD1 4.3Å; I257-L401 HydrophobicContact CG2-CD2 4.5Å; I257-M402 PolarHBondContact N-O 3.37Å; I257-V403 HydrophobicContact CD1-CG2 4.16Å; I257-V403 HydrophobicContact CG1-CG2 4.13Å; I257-D404 WeakPolarHBondContact O-CB 3.47Å; I257-D404 PolarHBondContact O-N 2.95Å
258	K	93.4	Very high	87.4	Confident	6 Å²	6	15.6 Å²	15.6	3%	0.026	10%	0.098	C	C	.	.			trans	-120.4	135.4	172.3	-70.5	-163.7	-178.1	-71.8	0	110.8	R222 Y224 T260 A261 D404 E406	R222-K258 WeakPolarHBondContact O-CD 3.4Å; R222-K258 VanDerWaalsContact O-CE 3.24Å; R222-K258 WeakPolarHBondContact O-CE 3.32Å; Y224-K258 HydrophobicContact CD2-CB 4.08Å; Y224-K258 HydrophobicContact CD2-CD 4.1Å; Y224-K258 HydrophobicContact CE2-CB 3.78Å; Y224-K258 HydrophobicContact CE2-CD 3.87Å; Y224-K258 HydrophobicContact CE2-CG 4.05Å; K258-T260 VanDerWaalsContact C-N 3.3Å; K258-T260 PolarHBondContact O-N 2.77Å; K258-A261 WeakPolarHBondContact O-CB 3.27Å; K258-A261 PolarHBondContact O-N 2.7Å; K258-A261 VanDerWaalsContact O-N 3.07Å; K258-D404 HydrophobicContact CG-CB 3.99Å; K258-D404 IonicContact NZ-OD2 3.62Å; K258-D404 PolarHBondContact NZ-OD2 3.08Å; K258-E406 HydrophobicContact CD-CG 4.3Å
259	M	93.8	Very high	87.7	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-67.4	-35.6	178.2	-66.9	-66.2	-172.1	0	0	111.1	A261 L262 L268 V387 V403 E406 I414 L417	M259-A261 PolarHBondContact O-N 3.12Å; M259-L262 PolarHBondContact O-N 2.99Å; M259-L268 HydrophobicContact CB-CD1 3.96Å; M259-V387 HydrophobicContact CE-CG1 4.05Å; M259-V387 HydrophobicContact CE-CG2 3.96Å; M259-V387 HydrophobicContact SD-CG2 3.53Å; M259-V387 VanDerWaalsContact SD-CG2 3.53Å; M259-V403 HydrophobicContact CE-CG1 3.81Å; M259-V403 HydrophobicContact CE-CG2 4.26Å; M259-V403 HydrophobicContact CG-CG1 3.95Å; M259-E406 PolarHBondContact N-OE1 3.16Å; M259-I414 HydrophobicContact CB-CD1 4.11Å; M259-I414 HydrophobicContact CB-CG1 3.82Å; M259-I414 HydrophobicContact CG-CB 4.29Å; M259-I414 HydrophobicContact CG-CG1 3.97Å; M259-I414 HydrophobicContact CG-CG2 3.86Å; M259-L417 HydrophobicContact CE-CB 4.23Å
260	T	92.7	Very high	88.1	Confident	3 Å²	3	13.1 Å²	13.1	2%	0.018	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-11.7	-53.9	147.4	114.8	0	0	0	0	118.1	R214 K258 P265 L268 E406 F410	R214-T260 PolarHBondContact NH1-OG1 2.93Å; R214-T260 PolarHBondContact NH2-OG1 2.8Å; K258-T260 VanDerWaalsContact C-N 3.3Å; K258-T260 PolarHBondContact O-N 2.77Å; T260-P265 HydrophobicContact CG2-CB 4.23Å; T260-P265 HydrophobicContact CG2-CG 4.33Å; T260-L268 HydrophobicContact CG2-CD1 3.77Å; T260-E406 WeakPolarHBondContact CA-OE1 3.37Å; T260-E406 WeakPolarHBondContact CB-OE2 3.03Å; T260-E406 WeakPolarHBondContact CG2-OE2 3.11Å; T260-E406 PolarHBondContact N-OE1 2.83Å; T260-E406 PolarHBondContact OG1-OE2 3.14Å; T260-F410 HydrophobicContact CG2-CD2 4.16Å; T260-F410 HydrophobicContact CG2-CE2 4.18Å; T260-F410 HydrophobicContact CG2-CG 4.37Å; T260-F410 HydrophobicContact CG2-CZ 4.4Å
261	A	92.3	Very high	88.6	Confident	5 Å²	5	14 Å²	14	4%	0.041	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-93	-9.9	-166	0	0	0	0	0	113.8	Y224 Q235 F239 K258 M259	Y224-A261 HydrophobicContact CD1-CB 3.47Å; Y224-A261 VanDerWaalsContact CD1-CB 3.47Å; Y224-A261 HydrophobicContact CD2-CB 3.84Å; Y224-A261 HydrophobicContact CE1-CB 3.47Å; Y224-A261 VanDerWaalsContact CE1-CB 3.47Å; Y224-A261 HydrophobicContact CE2-CB 3.87Å; Y224-A261 HydrophobicContact CG-CB 3.62Å; Q235-A261 HydrophobicContact CB-CB 4.15Å; Q235-A261 HydrophobicContact CG-CB 4.32Å; F239-A261 HydrophobicContact CE2-CB 3.72Å; F239-A261 HydrophobicContact CZ-CB 3.84Å; K258-A261 WeakPolarHBondContact O-CB 3.27Å; K258-A261 PolarHBondContact O-N 2.7Å; K258-A261 VanDerWaalsContact O-N 3.07Å; M259-A261 PolarHBondContact O-N 3.12Å
262	L	93.4	Very high	89.4	Confident	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-110.5	-0.9	-165.9	-59.8	177.5	0	0	0	113.7	M236 F239 I257 M259 M383 R386 V387 L390	M236-L262 HydrophobicContact CB-CD2 4.27Å; F239-L262 HydrophobicContact CD2-CD2 3.92Å; F239-L262 HydrophobicContact CE2-CD2 3.84Å; F239-L262 HydrophobicContact CE2-CG 4.36Å; I257-L262 HydrophobicContact CD1-CD1 4.36Å; M259-L262 PolarHBondContact O-N 2.99Å; L262-M383 HydrophobicContact CB-CG 4.28Å; L262-M383 WeakPolarHBondContact O-CA 3.38Å; L262-R386 HydrophobicContact CB-CB 4.39Å; L262-R386 HydrophobicContact CD2-CB 4.27Å; L262-R386 WeakPolarHBondContact O-CD 3.43Å; L262-R386 PolarHBondContact O-NH1 3.07Å; L262-V387 HydrophobicContact CD1-CG2 3.64Å; L262-L390 HydrophobicContact CD1-CD1 3.74Å; L262-L390 HydrophobicContact CD2-CD1 3.9Å; L262-L390 HydrophobicContact CG-CD1 4.5Å
263	G	90.7	Very high	89.7	Confident	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	174.2	-175.2	174.1	0	0	0	0	0	112.9	P265 M383	G263-P265 WeakPolarHBondContact O-CD 3.35Å; G263-M383 VanDerWaalsContact CA-CE 3.47Å
264	R	89.6	Confident	89.3	Confident	20 Å²	20	5.7 Å²	5.7	8%	0.075	3%	0.027	C	C	.	.			trans	-66.7	122.3	-174.6	-168.2	178.1	-179	178.3	-0	112.1	S186 V188 E190 Y226 Q266 F267	S186-R264 WeakPolarHBondContact O-CG 3.3Å; S186-R264 PolarHBondContact O-NE 2.73Å; V188-R264 PolarHBondContact O-NH2 3.44Å; V188-R264 VanDerWaalsContact O-NH2 3.07Å; E190-R264 IonicContact OE1-CZ 3.85Å; E190-R264 IonicContact OE1-NH1 3.8Å; E190-R264 IonicContact OE1-NH2 2.92Å; E190-R264 PolarHBondContact OE1-NH2 2.99Å; Y226-R264 HydrophobicContact CD1-CG 4.31Å; Y226-R264 HydrophobicContact CD2-CB 4.18Å; Y226-R264 HydrophobicContact CE1-CB 4.43Å; Y226-R264 HydrophobicContact CE1-CG 4.28Å; Y226-R264 HydrophobicContact CE2-CB 3.99Å; Y226-R264 HydrophobicContact CG-CB 4.48Å; R264-Q266 VanDerWaalsContact C-N 3.26Å; R264-Q266 HydrophobicContact CG-CB 4.1Å; R264-Q266 VanDerWaalsContact NH2-OE1 3.15Å; R264-Q266 PolarHBondContact O-N 2.56Å; R264-F267 PolarHBondContact O-N 2.79Å
265	P	89.6	Confident	88.8	Confident	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.6	-20.7	-175.5	-21	31.7	0	0	0	115	T260 G263 F267 L268 L269 F410	T260-P265 HydrophobicContact CG2-CB 4.23Å; T260-P265 HydrophobicContact CG2-CG 4.33Å; G263-P265 WeakPolarHBondContact O-CD 3.35Å; P265-F267 PolarHBondContact O-N 2.83Å; P265-L268 WeakPolarHBondContact O-CB 3.2Å; P265-L268 PolarHBondContact O-N 3.06Å; P265-L269 PolarHBondContact O-N 3.27Å; P265-F410 HydrophobicContact CB-CD1 4.42Å; P265-F410 HydrophobicContact CB-CE1 3.47Å; P265-F410 VanDerWaalsContact CB-CE1 3.47Å; P265-F410 HydrophobicContact CB-CZ 3.68Å; P265-F410 WeakPolarHBondContact O-CE1 3.2Å
266	Q	87.1	Confident	88.5	Confident	2 Å²	2	7.6 Å²	7.6	1%	0.009	4%	0.038	C	C	.	.	H	α-helix	trans	-48.2	-44.8	170.9	-177.8	-160.1	-40.7	0	0	112.8	S186 V188 R264 L268 L269 Q270 E376	S186-Q266 VanDerWaalsContact O-CB 3.28Å; S186-Q266 WeakPolarHBondContact O-CB 3.48Å; S186-Q266 PolarHBondContact O-N 3.23Å; V188-Q266 PolarHBondContact O-OE1 3.4Å; R264-Q266 VanDerWaalsContact C-N 3.26Å; R264-Q266 HydrophobicContact CG-CB 4.1Å; R264-Q266 VanDerWaalsContact NH2-OE1 3.15Å; R264-Q266 PolarHBondContact O-N 2.56Å; Q266-L268 VanDerWaalsContact C-N 3.33Å; Q266-L268 PolarHBondContact O-N 3.05Å; Q266-L269 WeakPolarHBondContact O-CB 3.45Å; Q266-L269 PolarHBondContact O-N 3.13Å; Q266-Q270 HydrophobicContact CG-CG 4.44Å; Q266-Q270 WeakPolarHBondContact O-CG 3.48Å; Q266-Q270 PolarHBondContact O-N 3.25Å; Q266-E376 VanDerWaalsContact NE2-CD 3.28Å; Q266-E376 PolarHBondContact NE2-OE1 2.98Å; Q266-E376 PolarHBondContact OE1-OE1 2.93Å
267	F	84.5	Confident	88.2	Confident	17 Å²	17	8.9 Å²	8.9	8%	0.075	4%	0.043	C	C	.	.	H	α-helix	trans	-60.5	-44.1	178.7	162.5	-115.3	0	0	0	111.2	R264 P265 L269 Q270 F271 F372 M380 M383 L417	R264-F267 PolarHBondContact O-N 2.79Å; P265-F267 PolarHBondContact O-N 2.83Å; F267-L269 VanDerWaalsContact C-N 3.33Å; F267-L269 PolarHBondContact O-N 2.97Å; F267-Q270 PolarHBondContact O-N 3.23Å; F267-F271 HydrophobicContact CD2-CB 4.3Å; F267-F271 HydrophobicContact CE2-CB 3.81Å; F267-F271 HydrophobicContact CE2-CD1 4.3Å; F267-F271 HydrophobicContact CE2-CG 4.14Å; F267-F271 HydrophobicContact CZ-CB 4.2Å; F267-F271 AromaticContact CZ-CD1 3.92Å; F267-F271 HydrophobicContact CZ-CD1 3.92Å; F267-F271 HydrophobicContact CZ-CG 4.23Å; F267-F271 VanDerWaalsContact O-CB 3.27Å; F267-F271 WeakPolarHBondContact O-CB 3.45Å; F267-F271 PolarHBondContact O-N 2.93Å; F267-F372 HydrophobicContact CD2-CE1 4.26Å; F267-M380 HydrophobicContact CD1-CB 4.24Å; F267-M380 HydrophobicContact CD1-CG 4.21Å; F267-M380 HydrophobicContact CD2-CB 3.99Å; F267-M380 HydrophobicContact CD2-CG 3.93Å; F267-M380 HydrophobicContact CD2-SD 3.97Å; F267-M380 HydrophobicContact CE1-CB 4.37Å; F267-M380 HydrophobicContact CE1-CG 3.84Å; F267-M380 HydrophobicContact CE2-CB 4.16Å; F267-M380 HydrophobicContact CE2-CG 3.57Å; F267-M380 HydrophobicContact CE2-SD 3.36Å; F267-M380 WeakPolarHBondContact CE2-SD 3.42Å; F267-M380 HydrophobicContact CG-CB 4.05Å; F267-M380 HydrophobicContact CG-CG 4.26Å; F267-M380 HydrophobicContact CZ-CB 4.36Å; F267-M380 HydrophobicContact CZ-CG 3.53Å; F267-M380 HydrophobicContact CZ-SD 3.77Å; F267-M383 HydrophobicContact CD1-CE 4.25Å; F267-M383 HydrophobicContact CD1-SD 3.88Å; F267-M383 HydrophobicContact CE1-SD 4.15Å; F267-L417 HydrophobicContact CE1-CD1 3.89Å; F267-L417 HydrophobicContact CZ-CD1 4.42Å
268	L	88.6	Confident	87.6	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.8	-36	177.8	-63.1	171.6	0	0	0	111.9	M259 T260 P265 Q266 S272 M383 F410 A413 I414 L417	M259-L268 HydrophobicContact CB-CD1 3.96Å; T260-L268 HydrophobicContact CG2-CD1 3.77Å; P265-L268 WeakPolarHBondContact O-CB 3.2Å; P265-L268 PolarHBondContact O-N 3.06Å; Q266-L268 VanDerWaalsContact C-N 3.33Å; Q266-L268 PolarHBondContact O-N 3.05Å; L268-S272 WeakPolarHBondContact O-CB 3.49Å; L268-S272 PolarHBondContact O-N 2.94Å; L268-S272 PolarHBondContact O-OG 3.02Å; L268-M383 HydrophobicContact CD1-CE 4.1Å; L268-M383 HydrophobicContact CD1-SD 4.38Å; L268-M383 HydrophobicContact CD2-SD 3.96Å; L268-M383 HydrophobicContact CG-CE 4.07Å; L268-M383 HydrophobicContact CG-SD 4.16Å; L268-F410 HydrophobicContact CB-CB 4.29Å; L268-F410 HydrophobicContact CB-CD1 3.72Å; L268-F410 HydrophobicContact CB-CG 4.41Å; L268-A413 HydrophobicContact CB-CB 4.25Å; L268-A413 HydrophobicContact CD2-CB 3.81Å; L268-A413 WeakPolarHBondContact O-CB 3.38Å; L268-I414 HydrophobicContact CD1-CG1 4.29Å; L268-I414 HydrophobicContact CD2-CG1 4.27Å; L268-L417 HydrophobicContact CD2-CD1 3.97Å
269	L	88.1	Confident	87.3	Confident	2 Å²	2	10.8 Å²	10.8	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-64.7	-51.3	172.6	-86.7	163.1	0	0	0	112.1	C187 Y205 P265 Q266 F267 S272 E273 Y409 F410	C187-L269 HydrophobicContact CB-CD1 3.56Å; Y205-L269 HydrophobicContact CD1-CD2 4.49Å; P265-L269 PolarHBondContact O-N 3.27Å; Q266-L269 WeakPolarHBondContact O-CB 3.45Å; Q266-L269 PolarHBondContact O-N 3.13Å; F267-L269 VanDerWaalsContact C-N 3.33Å; F267-L269 PolarHBondContact O-N 2.97Å; L269-S272 PolarHBondContact O-N 3.16Å; L269-E273 PolarHBondContact O-N 2.94Å; L269-Y409 HydrophobicContact CD2-CD2 3.52Å; L269-Y409 HydrophobicContact CD2-CE2 4.43Å; L269-Y409 HydrophobicContact CD2-CG 4.11Å; L269-Y409 HydrophobicContact CG-CD2 4.34Å; L269-F410 HydrophobicContact CD1-CE1 3.91Å; L269-F410 HydrophobicContact CD2-CD1 4.49Å; L269-F410 HydrophobicContact CD2-CE1 4.35Å; L269-F410 HydrophobicContact CG-CD1 3.88Å; L269-F410 HydrophobicContact CG-CE1 3.56Å
270	Q	81.2	Confident	87	Confident	14 Å²	14	14.8 Å²	14.8	7%	0.065	7%	0.067	C	C	.	.	H	α-helix	trans	-62.6	-50.7	-179.5	-72.8	174.7	-65.4	0	0	110.1	Q266 F267 S272 E273 V274 K371 F372	Q266-Q270 HydrophobicContact CG-CG 4.44Å; Q266-Q270 WeakPolarHBondContact O-CG 3.48Å; Q266-Q270 PolarHBondContact O-N 3.25Å; F267-Q270 PolarHBondContact O-N 3.23Å; Q270-S272 VanDerWaalsContact C-N 3.34Å; Q270-S272 PolarHBondContact O-N 2.97Å; Q270-E273 WeakPolarHBondContact O-CB 3.37Å; Q270-E273 PolarHBondContact O-N 2.88Å; Q270-E273 VanDerWaalsContact O-N 3.12Å; Q270-V274 VanDerWaalsContact O-CG2 3.28Å; Q270-V274 WeakPolarHBondContact O-CG2 3.38Å; Q270-V274 PolarHBondContact O-N 3.25Å; Q270-K371 PolarHBondContact NE2-O 2.84Å; Q270-F372 HydrophobicContact CB-CE1 4.01Å; Q270-F372 HydrophobicContact CB-CZ 3.73Å; Q270-F372 HydrophobicContact CG-CE1 4.44Å; Q270-F372 HydrophobicContact CG-CZ 4.49Å
271	F	82.3	Confident	86.5	Confident	26 Å²	26	14.9 Å²	14.9	11%	0.114	7%	0.067	C	C	.	.	H	α-helix	trans	-64.1	-36.9	-179.7	-171.6	-141.3	0	0	0	112.6	F267 E273 V274 L275 A413 R416 L417	F267-F271 HydrophobicContact CD2-CB 4.3Å; F267-F271 HydrophobicContact CE2-CB 3.81Å; F267-F271 HydrophobicContact CE2-CD1 4.3Å; F267-F271 HydrophobicContact CE2-CG 4.14Å; F267-F271 HydrophobicContact CZ-CB 4.2Å; F267-F271 AromaticContact CZ-CD1 3.92Å; F267-F271 HydrophobicContact CZ-CD1 3.92Å; F267-F271 HydrophobicContact CZ-CG 4.23Å; F267-F271 VanDerWaalsContact O-CB 3.27Å; F267-F271 WeakPolarHBondContact O-CB 3.45Å; F267-F271 PolarHBondContact O-N 2.93Å; F271-E273 VanDerWaalsContact C-N 3.32Å; F271-E273 PolarHBondContact O-N 2.7Å; F271-V274 WeakPolarHBondContact O-CB 3.48Å; F271-V274 PolarHBondContact O-N 3.13Å; F271-L275 HydrophobicContact CD1-CD1 4.11Å; F271-L275 HydrophobicContact CD2-CD1 4.3Å; F271-L275 HydrophobicContact CD2-CG 4.18Å; F271-L275 HydrophobicContact CE1-CD1 3.93Å; F271-L275 HydrophobicContact CE2-CD1 4.14Å; F271-L275 HydrophobicContact CE2-CD2 4Å; F271-L275 HydrophobicContact CE2-CG 3.96Å; F271-L275 HydrophobicContact CG-CD1 4.28Å; F271-L275 HydrophobicContact CZ-CD1 3.95Å; F271-L275 HydrophobicContact CZ-CD2 4.09Å; F271-L275 HydrophobicContact CZ-CG 4.19Å; F271-L275 WeakPolarHBondContact O-CG 3.23Å; F271-L275 PolarHBondContact O-N 3.42Å; F271-A413 HydrophobicContact CB-CB 4.07Å; F271-A413 HydrophobicContact CD1-CB 3.66Å; F271-A413 HydrophobicContact CG-CB 4.23Å; F271-R416 HydrophobicContact CE1-CB 4.31Å; F271-R416 HydrophobicContact CE1-CG 4.05Å; F271-R416 HydrophobicContact CZ-CG 3.97Å; F271-L417 HydrophobicContact CE1-CD2 3.97Å; F271-L417 HydrophobicContact CE1-CG 4.27Å
272	S	89.4	Confident	86.2	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.6	-37.8	173.2	-65.5	0	0	0	0	112.9	L268 L269 Q270 V276 Y409 F410 P412 A413	L268-S272 WeakPolarHBondContact O-CB 3.49Å; L268-S272 PolarHBondContact O-N 2.94Å; L268-S272 PolarHBondContact O-OG 3.02Å; L269-S272 PolarHBondContact O-N 3.16Å; Q270-S272 VanDerWaalsContact C-N 3.34Å; Q270-S272 PolarHBondContact O-N 2.97Å; S272-V276 WeakPolarHBondContact O-CB 3.5Å; S272-V276 WeakPolarHBondContact O-CG2 3.13Å; S272-V276 PolarHBondContact O-N 2.99Å; S272-V276 VanDerWaalsContact O-N 3.13Å; S272-Y409 VanDerWaalsContact CB-O 3.25Å; S272-Y409 WeakPolarHBondContact CB-O 3.38Å; S272-Y409 PolarHBondContact OG-O 3.04Å; S272-F410 VanDerWaalsContact OG-C 3.32Å; S272-F410 PolarHBondContact OG-O 3.34Å; S272-P412 WeakPolarHBondContact OG-CD 3.47Å; S272-A413 VanDerWaalsContact OG-CB 3.23Å; S272-A413 WeakPolarHBondContact OG-CB 3.42Å; S272-A413 PolarHBondContact OG-N 3.02Å
273	E	86.4	Confident	85.9	Confident	11 Å²	11	17.1 Å²	17.1	5%	0.051	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-42.9	173.7	-172.1	176.2	177.2	0	0	111.4	R201 E202 Y205 L269 Q270 F271 K277	R201-E273 WeakPolarHBondContact CA-OE1 3.26Å; R201-E273 WeakPolarHBondContact CB-OE2 3.45Å; R201-E273 VanDerWaalsContact CG-OE2 3.31Å; R201-E273 WeakPolarHBondContact CG-OE2 3.49Å; R201-E273 IonicContact CZ-OE2 2.66Å; R201-E273 IonicContact NE-OE2 2.73Å; R201-E273 PolarHBondContact NE-OE2 2.86Å; R201-E273 IonicContact NH2-OE2 3.11Å; E202-E273 PolarHBondContact N-OE1 3.4Å; Y205-E273 HydrophobicContact CD1-CB 4.2Å; Y205-E273 HydrophobicContact CD2-CB 3.74Å; Y205-E273 HydrophobicContact CD2-CG 3.68Å; Y205-E273 HydrophobicContact CE2-CB 4.36Å; Y205-E273 HydrophobicContact CE2-CG 4.37Å; Y205-E273 HydrophobicContact CG-CB 3.66Å; Y205-E273 HydrophobicContact CG-CG 4.05Å; L269-E273 PolarHBondContact O-N 2.94Å; Q270-E273 WeakPolarHBondContact O-CB 3.37Å; Q270-E273 PolarHBondContact O-N 2.88Å; Q270-E273 VanDerWaalsContact O-N 3.12Å; F271-E273 VanDerWaalsContact C-N 3.32Å; F271-E273 PolarHBondContact O-N 2.7Å; E273-K277 HydrophobicContact CG-CD 4.1Å; E273-K277 HydrophobicContact CG-CG 4.49Å; E273-K277 WeakPolarHBondContact O-CB 3.48Å; E273-K277 WeakPolarHBondContact O-CG 3.48Å; E273-K277 PolarHBondContact O-N 3.34Å; E273-K277 VanDerWaalsContact OE1-CE 3.24Å; E273-K277 WeakPolarHBondContact OE1-CE 3.4Å; E273-K277 IonicContact OE1-NZ 3.07Å; E273-K277 PolarHBondContact OE1-NZ 3.4Å
274	V	79.7	Confident	85.7	Confident	7 Å²	7	20.5 Å²	20.5	4%	0.042	9%	0.094	C	C	.	.	H	α-helix	trans	-58.7	-56.2	175.7	-171.4	0	0	0	0	110.9	Q270 F271 V276 K277 W278 L355 V357 L368	Q270-V274 VanDerWaalsContact O-CG2 3.28Å; Q270-V274 WeakPolarHBondContact O-CG2 3.38Å; Q270-V274 PolarHBondContact O-N 3.25Å; F271-V274 WeakPolarHBondContact O-CB 3.48Å; F271-V274 PolarHBondContact O-N 3.13Å; V274-V276 VanDerWaalsContact C-N 3.26Å; V274-V276 PolarHBondContact O-N 3.21Å; V274-K277 PolarHBondContact O-N 2.66Å; V274-K277 VanDerWaalsContact O-N 3.16Å; V274-W278 WeakPolarHBondContact O-CB 3.4Å; V274-W278 PolarHBondContact O-N 3.49Å; V274-L355 HydrophobicContact CG1-CD2 3.84Å; V274-V357 HydrophobicContact CG1-CG2 4.1Å; V274-L368 HydrophobicContact CB-CD1 3.96Å; V274-L368 HydrophobicContact CG1-CD1 3.49Å; V274-L368 VanDerWaalsContact CG1-CD1 3.49Å; V274-L368 HydrophobicContact CG2-CD1 3.42Å; V274-L368 VanDerWaalsContact CG2-CD1 3.42Å; V274-L368 HydrophobicContact CG2-CG 4.45Å
275	L	83.5	Confident	85.5	Confident	23 Å²	23	19.7 Å²	19.7	12%	0.12	9%	0.091	C	C	.	.	H	α-helix	trans	-57.3	-40.7	-175.3	-69	167.5	0	0	0	111.6	F271 R279 I345 P412 R416	F271-L275 HydrophobicContact CD1-CD1 4.11Å; F271-L275 HydrophobicContact CD2-CD1 4.3Å; F271-L275 HydrophobicContact CD2-CG 4.18Å; F271-L275 HydrophobicContact CE1-CD1 3.93Å; F271-L275 HydrophobicContact CE2-CD1 4.14Å; F271-L275 HydrophobicContact CE2-CD2 4Å; F271-L275 HydrophobicContact CE2-CG 3.96Å; F271-L275 HydrophobicContact CG-CD1 4.28Å; F271-L275 HydrophobicContact CZ-CD1 3.95Å; F271-L275 HydrophobicContact CZ-CD2 4.09Å; F271-L275 HydrophobicContact CZ-CG 4.19Å; F271-L275 WeakPolarHBondContact O-CG 3.23Å; F271-L275 PolarHBondContact O-N 3.42Å; L275-R279 WeakPolarHBondContact O-CB 3.41Å; L275-R279 PolarHBondContact O-N 3.22Å; L275-I345 HydrophobicContact CD2-CD1 3.98Å; L275-P412 HydrophobicContact CB-CB 4.42Å; L275-P412 HydrophobicContact CD1-CB 4.37Å; L275-P412 WeakPolarHBondContact CD1-O 3.39Å; L275-R416 HydrophobicContact CD1-CB 3.8Å; L275-R416 HydrophobicContact CD1-CG 4.24Å; L275-R416 HydrophobicContact CD2-CG 4.34Å
276	V	87.6	Confident	85.4	Confident	18 Å²	18	19.7 Å²	19.7	11%	0.109	9%	0.091	C	C	.	.	H	α-helix	trans	-74.9	-38.5	179.1	169.8	0	0	0	0	112.3	Y205 S272 V274 K280 P412	Y205-V276 WeakPolarHBondContact OH-CG2 3.25Å; S272-V276 WeakPolarHBondContact O-CB 3.5Å; S272-V276 WeakPolarHBondContact O-CG2 3.13Å; S272-V276 PolarHBondContact O-N 2.99Å; S272-V276 VanDerWaalsContact O-N 3.13Å; V274-V276 VanDerWaalsContact C-N 3.26Å; V274-V276 PolarHBondContact O-N 3.21Å; V276-K280 HydrophobicContact CG1-CD 4.3Å; V276-K280 WeakPolarHBondContact O-CB 3.35Å; V276-K280 VanDerWaalsContact O-CG 3.26Å; V276-K280 WeakPolarHBondContact O-CG 3.24Å; V276-K280 PolarHBondContact O-N 3.45Å; V276-P412 HydrophobicContact CG2-CB 4.12Å; V276-P412 HydrophobicContact CG2-CG 3.78Å
277	K	84.2	Confident	85.3	Confident	30 Å²	30	21.6 Å²	21.6	13%	0.13	11%	0.106	C	C	.	.	H	α-helix	trans	-66.1	-38.7	173	-74.5	-178.8	172.2	172.1	0	111.8	H200 E273 V274 K280 F281 V357	H200-K277 PolarHBondContact O-NZ 2.99Å; E273-K277 HydrophobicContact CG-CD 4.1Å; E273-K277 HydrophobicContact CG-CG 4.49Å; E273-K277 WeakPolarHBondContact O-CB 3.48Å; E273-K277 WeakPolarHBondContact O-CG 3.48Å; E273-K277 PolarHBondContact O-N 3.34Å; E273-K277 VanDerWaalsContact OE1-CE 3.24Å; E273-K277 WeakPolarHBondContact OE1-CE 3.4Å; E273-K277 IonicContact OE1-NZ 3.07Å; E273-K277 PolarHBondContact OE1-NZ 3.4Å; V274-K277 PolarHBondContact O-N 2.66Å; V274-K277 VanDerWaalsContact O-N 3.16Å; K277-K280 PolarHBondContact O-N 3.03Å; K277-F281 PolarHBondContact O-N 2.69Å; K277-V357 HydrophobicContact CB-CG1 3.53Å; K277-V357 HydrophobicContact CB-CG2 4.44Å; K277-V357 HydrophobicContact CD-CG1 3.65Å; K277-V357 HydrophobicContact CG-CG1 4.18Å
278	W	81.8	Confident	85.3	Confident	13 Å²	13	25.6 Å²	25.6	5%	0.049	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-46.9	174.8	-168	-113.4	0	0	0	112.2	V274 F281 F282 W341 L344 I345 M356	V274-W278 WeakPolarHBondContact O-CB 3.4Å; V274-W278 PolarHBondContact O-N 3.49Å; W278-F281 PolarHBondContact O-N 3.2Å; W278-F282 PolarHBondContact O-N 3.13Å; W278-W341 AromaticContact CD1-CD1 3.46Å; W278-W341 VanDerWaalsContact CD1-CD1 3.46Å; W278-W341 AromaticContact CD1-NE1 3.31Å; W278-W341 VanDerWaalsContact CD1-NE1 3.31Å; W278-W341 AromaticContact CD2-CE2 3.94Å; W278-W341 HydrophobicContact CD2-CZ2 4.08Å; W278-W341 AromaticContact CD2-NE1 3.49Å; W278-W341 AromaticContact CE2-CD1 3.72Å; W278-W341 AromaticContact CE2-CE2 3.41Å; W278-W341 VanDerWaalsContact CE2-CE2 3.41Å; W278-W341 AromaticContact CE2-CZ2 3.77Å; W278-W341 AromaticContact CE2-NE1 3.15Å; W278-W341 HydrophobicContact CE3-CZ2 4.08Å; W278-W341 AromaticContact CG-NE1 3.61Å; W278-W341 AromaticContact CH2-CE2 3.96Å; W278-W341 AromaticContact CH2-CH2 3.85Å; W278-W341 HydrophobicContact CH2-CH2 3.85Å; W278-W341 AromaticContact CH2-CZ2 3.47Å; W278-W341 HydrophobicContact CH2-CZ2 3.47Å; W278-W341 VanDerWaalsContact CH2-CZ2 3.47Å; W278-W341 AromaticContact CZ2-CD2 3.97Å; W278-W341 HydrophobicContact CZ2-CD2 3.97Å; W278-W341 AromaticContact CZ2-CE2 3.43Å; W278-W341 VanDerWaalsContact CZ2-CE2 3.43Å; W278-W341 HydrophobicContact CZ2-CE3 4.47Å; W278-W341 HydrophobicContact CZ2-CG 4.49Å; W278-W341 HydrophobicContact CZ2-CH2 4.03Å; W278-W341 AromaticContact CZ2-CZ2 3.47Å; W278-W341 HydrophobicContact CZ2-CZ2 3.47Å; W278-W341 VanDerWaalsContact CZ2-CZ2 3.47Å; W278-W341 HydrophobicContact CZ2-CZ3 4.5Å; W278-W341 AromaticContact CZ2-NE1 3.71Å; W278-W341 HydrophobicContact CZ3-CH2 4.41Å; W278-W341 AromaticContact CZ3-CZ2 3.79Å; W278-W341 HydrophobicContact CZ3-CZ2 3.79Å; W278-W341 AromaticContact NE1-CD1 3.14Å; W278-W341 AromaticContact NE1-CE2 3.72Å; W278-W341 AromaticContact NE1-CG 3.85Å; W278-W341 AromaticContact NE1-NE1 3.05Å; W278-W341 PolarHBondContact NE1-O 3.4Å; W278-W341 PolarHBondContact O-NE1 3.5Å; W278-L344 HydrophobicContact CZ2-CB 4.22Å; W278-L344 HydrophobicContact CZ2-CD1 4.13Å; W278-I345 HydrophobicContact CB-CD1 4.45Å; W278-I345 HydrophobicContact CD2-CD1 4.41Å; W278-I345 HydrophobicContact CG-CD1 3.86Å; W278-M356 WeakPolarHBondContact CZ3-O 3.24Å
279	R	87.1	Confident	85.2	Confident	36 Å²	36	27.1 Å²	27.1	14%	0.136	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-36.5	174.5	-175.9	176.1	177.3	-176.8	-0.2	112.9	L275 F281 N283 L338 E442 D445 N446	L275-R279 WeakPolarHBondContact O-CB 3.41Å; L275-R279 PolarHBondContact O-N 3.22Å; R279-F281 VanDerWaalsContact C-N 3.33Å; R279-N283 PolarHBondContact O-N 3.15Å; R279-N283 VanDerWaalsContact O-N 3.09Å; R279-N283 PolarHBondContact O-ND2 3.04Å; R279-L338 HydrophobicContact CG-CD1 4.18Å; R279-L338 HydrophobicContact CG-CD2 4.14Å; R279-E442 IonicContact NH1-OE2 2.76Å; R279-D445 IonicContact NH2-OD2 2.91Å; R279-D445 PolarHBondContact NH2-OD2 2.67Å; R279-D445 VanDerWaalsContact NH2-OD2 3.11Å; R279-N446 PolarHBondContact NH1-OD1 3.37Å
280	K	86.6	Confident	85	Confident	84 Å²	84	30 Å²	30	37%	0.365	16%	0.163	S	C	.	.	H	α-helix	trans	-63.6	-39.8	172.5	-76.3	172.8	-174.7	178.2	0	111.4	E202 V276 K277 N283 F284	E202-K280 IonicContact OE1-NZ 3.61Å; E202-K280 PolarHBondContact OE1-NZ 3.12Å; E202-K280 IonicContact OE2-NZ 2.78Å; E202-K280 PolarHBondContact OE2-NZ 3.05Å; V276-K280 HydrophobicContact CG1-CD 4.3Å; V276-K280 WeakPolarHBondContact O-CB 3.35Å; V276-K280 VanDerWaalsContact O-CG 3.26Å; V276-K280 WeakPolarHBondContact O-CG 3.24Å; V276-K280 PolarHBondContact O-N 3.45Å; K277-K280 PolarHBondContact O-N 3.03Å; K280-N283 PolarHBondContact O-N 3.32Å; K280-F284 PolarHBondContact O-N 2.94Å
281	F	83.4	Confident	85.2	Confident	5 Å²	5	31.6 Å²	31.6	2%	0.022	17%	0.169	C	C	.	.	H	α-helix	trans	-66	-43.6	178.4	-176.4	-146.5	0	0	0	112	K277 W278 R279 N283 F284 L285 L310 M313 V315 W341 P358	K277-F281 PolarHBondContact O-N 2.69Å; W278-F281 PolarHBondContact O-N 3.2Å; R279-F281 VanDerWaalsContact C-N 3.33Å; F281-N283 VanDerWaalsContact C-N 3.33Å; F281-N283 PolarHBondContact O-N 3.4Å; F281-F284 HydrophobicContact CD2-CD1 4.13Å; F281-F284 HydrophobicContact CE2-CD1 4.25Å; F281-F284 WeakPolarHBondContact O-CB 3.47Å; F281-F284 PolarHBondContact O-N 3.11Å; F281-F284 VanDerWaalsContact O-N 3.13Å; F281-L285 HydrophobicContact CD1-CD1 4.34Å; F281-L285 HydrophobicContact CD2-CD1 4.1Å; F281-L285 HydrophobicContact CD2-CG 4.2Å; F281-L285 HydrophobicContact CE1-CD1 4.16Å; F281-L285 HydrophobicContact CE2-CD1 3.93Å; F281-L285 HydrophobicContact CE2-CD2 4.31Å; F281-L285 HydrophobicContact CE2-CG 3.97Å; F281-L285 HydrophobicContact CG-CD1 4.3Å; F281-L285 HydrophobicContact CZ-CD1 3.96Å; F281-L285 HydrophobicContact CZ-CG 4.4Å; F281-L285 WeakPolarHBondContact O-CG 3.48Å; F281-L285 PolarHBondContact O-N 3.45Å; F281-L310 HydrophobicContact CE1-CD2 3.87Å; F281-L310 HydrophobicContact CZ-CD2 3.63Å; F281-M313 HydrophobicContact CE2-CE 3.83Å; F281-M313 HydrophobicContact CE2-SD 4.23Å; F281-M313 HydrophobicContact CZ-CE 3.97Å; F281-V315 HydrophobicContact CZ-CG2 4.38Å; F281-W341 HydrophobicContact CD1-CH2 4.16Å; F281-W341 AromaticContact CD1-CZ2 3.67Å; F281-W341 HydrophobicContact CD1-CZ2 3.67Å; F281-W341 HydrophobicContact CE1-CH2 4.06Å; F281-W341 HydrophobicContact CE1-CZ2 4.04Å; F281-P358 HydrophobicContact CB-CG 3.99Å; F281-P358 HydrophobicContact CD1-CG 3.78Å; F281-P358 HydrophobicContact CD2-CG 3.69Å; F281-P358 HydrophobicContact CE1-CG 4.14Å; F281-P358 HydrophobicContact CE2-CG 4.04Å; F281-P358 HydrophobicContact CG-CG 3.56Å; F281-P358 HydrophobicContact CZ-CG 4.25Å
282	F	85.6	Confident	85	Confident	1 Å²	1	32.5 Å²	32.5	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-55.8	-45.5	170.2	-177.2	-93.6	0	0	0	112.5	W278 F284 L285 A286 K299 L301 L338 W341	W278-F282 PolarHBondContact O-N 3.13Å; F282-F284 VanDerWaalsContact C-N 3.31Å; F282-F284 PolarHBondContact O-N 3.32Å; F282-L285 PolarHBondContact O-N 2.96Å; F282-A286 WeakPolarHBondContact O-CB 3.32Å; F282-A286 PolarHBondContact O-N 2.99Å; F282-K299 HydrophobicContact CE1-CB 3.77Å; F282-K299 HydrophobicContact CZ-CB 4.3Å; F282-K299 WeakPolarHBondContact CZ-O 3.4Å; F282-L301 HydrophobicContact CD2-CD1 3.63Å; F282-L301 HydrophobicContact CD2-CG 4.29Å; F282-L301 HydrophobicContact CE2-CD1 3.47Å; F282-L301 VanDerWaalsContact CE2-CD1 3.47Å; F282-L301 HydrophobicContact CE2-CG 3.65Å; F282-L301 HydrophobicContact CG-CD1 4.49Å; F282-L301 HydrophobicContact CZ-CD1 4.2Å; F282-L301 HydrophobicContact CZ-CG 3.95Å; F282-L338 HydrophobicContact CB-CD1 4.03Å; F282-L338 HydrophobicContact CD1-CB 4.07Å; F282-L338 HydrophobicContact CD1-CD1 3.77Å; F282-L338 HydrophobicContact CD1-CG 4.37Å; F282-L338 HydrophobicContact CD2-CD1 4.43Å; F282-L338 HydrophobicContact CE1-CB 3.75Å; F282-L338 HydrophobicContact CE1-CD1 4.34Å; F282-L338 HydrophobicContact CG-CD1 3.81Å; F282-L338 HydrophobicContact CZ-CB 4.03Å; F282-L338 VanDerWaalsContact CZ-N 3.33Å; F282-W341 HydrophobicContact CB-CG 4.2Å; F282-W341 HydrophobicContact CD2-CB 3.66Å; F282-W341 AromaticContact CD2-CD1 3.8Å; F282-W341 AromaticContact CD2-CD2 3.87Å; F282-W341 HydrophobicContact CD2-CD2 3.87Å; F282-W341 HydrophobicContact CD2-CE3 4.47Å; F282-W341 AromaticContact CD2-CG 3.48Å; F282-W341 HydrophobicContact CD2-CG 3.48Å; F282-W341 VanDerWaalsContact CD2-CG 3.48Å; F282-W341 HydrophobicContact CE2-CB 3.96Å; F282-W341 HydrophobicContact CE2-CG 4.25Å; F282-W341 HydrophobicContact CG-CG 4.19Å
283	N	87.8	Confident	84.5	Confident	51 Å²	51	39.8 Å²	39.8	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-64.8	-33.1	177.2	-80.7	-65.5	0	0	0	113.2	R279 K280 F281 A287 K299	R279-N283 PolarHBondContact O-N 3.15Å; R279-N283 VanDerWaalsContact O-N 3.09Å; R279-N283 PolarHBondContact O-ND2 3.04Å; K280-N283 PolarHBondContact O-N 3.32Å; F281-N283 VanDerWaalsContact C-N 3.33Å; F281-N283 PolarHBondContact O-N 3.4Å; N283-A287 WeakPolarHBondContact O-CB 3.36Å; N283-A287 PolarHBondContact O-N 3.2Å; N283-K299 PolarHBondContact OD1-NZ 3.05Å
284	F	85.2	Confident	84.4	Confident	71 Å²	71	43.8 Å²	43.8	31%	0.311	24%	0.238	S	C	.	.	H	α-helix	trans	-66.9	-46.6	173.9	170.4	-98.2	0	0	0	111.5	F6 K280 F281 F282 A286 A287 Q288 M313	F6-F284 HydrophobicContact CZ-CE2 4.45Å; K280-F284 PolarHBondContact O-N 2.94Å; F281-F284 HydrophobicContact CD2-CD1 4.13Å; F281-F284 HydrophobicContact CE2-CD1 4.25Å; F281-F284 WeakPolarHBondContact O-CB 3.47Å; F281-F284 PolarHBondContact O-N 3.11Å; F281-F284 VanDerWaalsContact O-N 3.13Å; F282-F284 VanDerWaalsContact C-N 3.31Å; F282-F284 PolarHBondContact O-N 3.32Å; F284-A286 VanDerWaalsContact C-N 3.32Å; F284-A286 PolarHBondContact O-N 2.89Å; F284-A287 PolarHBondContact O-N 3.4Å; F284-Q288 HydrophobicContact CE1-CG 4.48Å; F284-Q288 VanDerWaalsContact CE1-NE2 3.29Å; F284-Q288 HydrophobicContact CZ-CG 4.49Å; F284-Q288 PolarHBondContact O-N 2.82Å; F284-M313 HydrophobicContact CE1-SD 3.95Å
285	L	85.6	Confident	84.6	Confident	3 Å²	3	46.6 Å²	46.6	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-41.4	172.9	-71.5	160.4	0	0	0	111.7	F281 F282 A287 Q288 Q289 L301 L306 L310 M313 W341	F281-L285 HydrophobicContact CD1-CD1 4.34Å; F281-L285 HydrophobicContact CD2-CD1 4.1Å; F281-L285 HydrophobicContact CD2-CG 4.2Å; F281-L285 HydrophobicContact CE1-CD1 4.16Å; F281-L285 HydrophobicContact CE2-CD1 3.93Å; F281-L285 HydrophobicContact CE2-CD2 4.31Å; F281-L285 HydrophobicContact CE2-CG 3.97Å; F281-L285 HydrophobicContact CG-CD1 4.3Å; F281-L285 HydrophobicContact CZ-CD1 3.96Å; F281-L285 HydrophobicContact CZ-CG 4.4Å; F281-L285 WeakPolarHBondContact O-CG 3.48Å; F281-L285 PolarHBondContact O-N 3.45Å; F282-L285 PolarHBondContact O-N 2.96Å; L285-A287 PolarHBondContact O-N 2.99Å; L285-Q288 WeakPolarHBondContact O-CB 3.29Å; L285-Q288 PolarHBondContact O-N 3.04Å; L285-Q289 PolarHBondContact O-N 3.43Å; L285-L301 HydrophobicContact CB-CD1 3.81Å; L285-L301 HydrophobicContact CB-CD2 4.4Å; L285-L301 HydrophobicContact CD1-CD1 4.39Å; L285-L306 HydrophobicContact CD1-CD1 3.62Å; L285-L306 HydrophobicContact CD2-CD1 3.88Å; L285-L306 HydrophobicContact CG-CD1 4.24Å; L285-L310 HydrophobicContact CD1-CD2 4.39Å; L285-M313 HydrophobicContact CD2-CE 3.72Å; L285-W341 HydrophobicContact CD1-CH2 4.04Å; L285-W341 HydrophobicContact CD1-CZ2 4.32Å; L285-W341 HydrophobicContact CD1-CZ3 4.48Å
286	A	87	Confident	84.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-42.2	174.8	0	0	0	0	0	112.1	F282 F284 Q288 Q289 G290 K291 K299 L301	F282-A286 WeakPolarHBondContact O-CB 3.32Å; F282-A286 PolarHBondContact O-N 2.99Å; F284-A286 VanDerWaalsContact C-N 3.32Å; F284-A286 PolarHBondContact O-N 2.89Å; A286-Q288 VanDerWaalsContact C-N 3.33Å; A286-Q288 PolarHBondContact O-N 3.45Å; A286-Q289 CarbonylContact O-C 3.51Å; A286-Q289 PolarHBondContact O-N 3.39Å; A286-G290 PolarHBondContact O-N 3.43Å; A286-K291 HydrophobicContact CB-CB 4.31Å; A286-K291 WeakPolarHBondContact O-CA 3.31Å; A286-K291 WeakPolarHBondContact O-CB 3.38Å; A286-K291 PolarHBondContact O-N 2.91Å; A286-K299 HydrophobicContact CB-CD 4.14Å; A286-K299 HydrophobicContact CB-CG 4.49Å; A286-L301 HydrophobicContact CB-CD2 3.78Å
287	A	86.4	Confident	84.3	Confident	41 Å²	41	47 Å²	47	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-35.4	176.1	0	0	0	0	0	112.5	N283 F284 L285 Q289 G290	N283-A287 WeakPolarHBondContact O-CB 3.36Å; N283-A287 PolarHBondContact O-N 3.2Å; F284-A287 PolarHBondContact O-N 3.4Å; L285-A287 PolarHBondContact O-N 2.99Å; A287-Q289 VanDerWaalsContact C-N 3.31Å; A287-Q289 PolarHBondContact O-N 3.04Å; A287-G290 PolarHBondContact O-N 3.35Å
288	Q	83.9	Confident	84.3	Confident	102 Å²	102	50.6 Å²	50.6	48%	0.477	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-35	173.1	-70.7	-177.3	-25.7	0	0	112.5	F284 L285 A286 G290	F284-Q288 HydrophobicContact CE1-CG 4.48Å; F284-Q288 VanDerWaalsContact CE1-NE2 3.29Å; F284-Q288 HydrophobicContact CZ-CG 4.49Å; F284-Q288 PolarHBondContact O-N 2.82Å; L285-Q288 WeakPolarHBondContact O-CB 3.29Å; L285-Q288 PolarHBondContact O-N 3.04Å; A286-Q288 VanDerWaalsContact C-N 3.33Å; A286-Q288 PolarHBondContact O-N 3.45Å; Q288-G290 PolarHBondContact O-N 2.88Å
289	Q	86.6	Confident	84.6	Confident	32 Å²	32	51 Å²	51	15%	0.15	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	9.9	172.8	-61.4	-169.3	6.1	0	0	113.8	L285 A286 A287 K291 E302	L285-Q289 PolarHBondContact O-N 3.43Å; A286-Q289 CarbonylContact O-C 3.51Å; A286-Q289 PolarHBondContact O-N 3.39Å; A287-Q289 VanDerWaalsContact C-N 3.31Å; A287-Q289 PolarHBondContact O-N 3.04Å; Q289-K291 VanDerWaalsContact C-N 3.31Å; Q289-K291 HydrophobicContact CB-CD 4.1Å; Q289-K291 HydrophobicContact CB-CG 4.38Å; Q289-K291 PolarHBondContact O-N 2.84Å; Q289-E302 PolarHBondContact NE2-O 3.11Å
290	G	84.8	Confident	84.7	Confident	63 Å²	63	54.5 Å²	54.5	65%	0.649	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	13.7	-179.8	0	0	0	0	0	115.1	A286 A287 Q288	A286-G290 PolarHBondContact O-N 3.43Å; A287-G290 PolarHBondContact O-N 3.35Å; Q288-G290 PolarHBondContact O-N 2.88Å
291	K	84.8	Confident	84.7	Confident	46 Å²	46	50.5 Å²	50.5	20%	0.2	27%	0.273	C	S	.	.			trans	-101.5	35.6	-174.5	-59.2	168.7	-178	168.2	0	111.8	A286 Q289 M294 K299 R300 E302	A286-K291 HydrophobicContact CB-CB 4.31Å; A286-K291 WeakPolarHBondContact O-CA 3.31Å; A286-K291 WeakPolarHBondContact O-CB 3.38Å; A286-K291 PolarHBondContact O-N 2.91Å; Q289-K291 VanDerWaalsContact C-N 3.31Å; Q289-K291 HydrophobicContact CB-CD 4.1Å; Q289-K291 HydrophobicContact CB-CG 4.38Å; Q289-K291 PolarHBondContact O-N 2.84Å; K291-M294 HydrophobicContact CB-CG 4.42Å; K291-K299 WeakPolarHBondContact O-CE 3.15Å; K291-R300 WeakPolarHBondContact CD-O 3.15Å; K291-R300 WeakPolarHBondContact CE-O 3.43Å; K291-R300 PolarHBondContact NZ-O 2.92Å; K291-E302 IonicContact NZ-OE1 3.92Å; K291-E302 PolarHBondContact NZ-OE1 2.88Å
292	S	78.1	Confident	84.9	Confident	45 Å²	45	53.8 Å²	53.8	32%	0.315	29%	0.288	S	S	.	.	S	Bend	trans	-66.2	-42.7	-176.3	52	0	0	0	0	113.2	K299	S292-K299 PolarHBondContact O-NZ 2.99Å; S292-K299 VanDerWaalsContact O-NZ 3.14Å
293	D	78.4	Confident	84.9	Confident	153 Å²	153	54.5 Å²	54.5	82%	0.818	29%	0.292	S	S	*	.	S	Bend	trans	-93.3	-2.8	-163	-56.8	-4.4	0	0	0	113.4
294	M	83.5	Confident	84.7	Confident	95 Å²	95	57 Å²	57	47%	0.468	30%	0.302	S	S	.	.	S	Bend	trans	-72.4	156.3	177	-54.7	-62.7	-90.5	0	0	111.1	K291 E298 K299	K291-M294 HydrophobicContact CB-CG 4.42Å; M294-E298 HydrophobicContact CB-CB 4.09Å; M294-E298 HydrophobicContact CE-CB 4.18Å; M294-K299 HydrophobicContact CB-CG 3.9Å; M294-K299 WeakPolarHBondContact O-CE 3.36Å
295	T	83.7	Confident	84.6	Confident	66 Å²	66	58 Å²	58	41%	0.405	31%	0.308	S	S	.	.			trans	-72.4	165	172.3	68	0	0	0	0	111.8	L297 E298 K299	T295-L297 PolarHBondContact O-N 3.23Å; T295-E298 VanDerWaalsContact CB-OE2 3.26Å; T295-E298 WeakPolarHBondContact CB-OE2 3.5Å; T295-E298 VanDerWaalsContact CG2-OE2 3.3Å; T295-E298 WeakPolarHBondContact CG2-OE2 3.28Å; T295-E298 PolarHBondContact N-OE2 3.29Å; T295-E298 PolarHBondContact O-N 2.93Å; T295-E298 WeakPolarHBondContact OG1-CG 3.37Å; T295-E298 PolarHBondContact OG1-OE2 2.85Å; T295-K299 WeakPolarHBondContact O-CG 3.44Å; T295-K299 PolarHBondContact O-N 2.89Å
296	A	82.9	Confident	84.5	Confident	6 Å²	6	57.9 Å²	57.9	5%	0.05	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.7	-176.8	0	0	0	0	0	114.5	D445 L449	A296-D445 HydrophobicContact CB-CB 4.06Å; A296-L449 HydrophobicContact CB-CD1 4.06Å; A296-L449 HydrophobicContact CB-CD2 4.33Å; A296-L449 HydrophobicContact CB-CG 4.27Å
297	L	83.6	Confident	84.3	Confident	43 Å²	43	59.7 Å²	59.7	23%	0.225	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-26.2	176	-76.8	176.2	0	0	0	113.7	T295 L449 E452	T295-L297 PolarHBondContact O-N 3.23Å; L297-L449 HydrophobicContact CD2-CD2 4.01Å; L297-E452 HydrophobicContact CD2-CB 3.61Å; L297-E452 HydrophobicContact CD2-CG 3.77Å
298	E	84.1	Confident	84.1	Confident	107 Å²	107	63.4 Å²	63.4	50%	0.5	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-18.2	-176.7	-67.1	164.1	141.3	0	0	112.6	M294 T295 R300	M294-E298 HydrophobicContact CB-CB 4.09Å; M294-E298 HydrophobicContact CE-CB 4.18Å; T295-E298 VanDerWaalsContact CB-OE2 3.26Å; T295-E298 WeakPolarHBondContact CB-OE2 3.5Å; T295-E298 VanDerWaalsContact CG2-OE2 3.3Å; T295-E298 WeakPolarHBondContact CG2-OE2 3.28Å; T295-E298 PolarHBondContact N-OE2 3.29Å; T295-E298 PolarHBondContact O-N 2.93Å; T295-E298 WeakPolarHBondContact OG1-CG 3.37Å; T295-E298 PolarHBondContact OG1-OE2 2.85Å; E298-R300 PolarHBondContact O-N 3.3Å
299	K	88	Confident	84	Confident	22 Å²	22	59.7 Å²	59.7	10%	0.096	31%	0.311	C	S	.	.			trans	-69	104.2	178.2	-73.7	179.5	-173.8	-175	0	111.1	F282 N283 A286 K291 S292 M294 T295 D337	F282-K299 HydrophobicContact CE1-CB 3.77Å; F282-K299 HydrophobicContact CZ-CB 4.3Å; F282-K299 WeakPolarHBondContact CZ-O 3.4Å; N283-K299 PolarHBondContact OD1-NZ 3.05Å; A286-K299 HydrophobicContact CB-CD 4.14Å; A286-K299 HydrophobicContact CB-CG 4.49Å; K291-K299 WeakPolarHBondContact O-CE 3.15Å; S292-K299 PolarHBondContact O-NZ 2.99Å; S292-K299 VanDerWaalsContact O-NZ 3.14Å; M294-K299 HydrophobicContact CB-CG 3.9Å; M294-K299 WeakPolarHBondContact O-CE 3.36Å; T295-K299 WeakPolarHBondContact O-CG 3.44Å; T295-K299 PolarHBondContact O-N 2.89Å; K299-D337 WeakPolarHBondContact O-CA 3.34Å; K299-D337 WeakPolarHBondContact O-CB 3.44Å
300	R	88.1	Confident	83.7	Confident	109 Å²	109	58.2 Å²	58.2	41%	0.411	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.8	169.4	-65.2	174.3	-179.5	-91.8	-7.9	109.4	K291 E298 I336 D337	K291-R300 WeakPolarHBondContact CD-O 3.15Å; K291-R300 WeakPolarHBondContact CE-O 3.43Å; K291-R300 PolarHBondContact NZ-O 2.92Å; E298-R300 PolarHBondContact O-N 3.3Å; R300-I336 CarbonylContact C-O 3.57Å; R300-I336 WeakPolarHBondContact CA-O 3.3Å; R300-D337 HydrophobicContact CG-CB 4.15Å
301	L	87	Confident	83.4	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.2	173.8	-57.7	-177.8	0	0	0	109.9	F282 L285 A286 L303 L306 T335 I336	F282-L301 HydrophobicContact CD2-CD1 3.63Å; F282-L301 HydrophobicContact CD2-CG 4.29Å; F282-L301 HydrophobicContact CE2-CD1 3.47Å; F282-L301 VanDerWaalsContact CE2-CD1 3.47Å; F282-L301 HydrophobicContact CE2-CG 3.65Å; F282-L301 HydrophobicContact CG-CD1 4.49Å; F282-L301 HydrophobicContact CZ-CD1 4.2Å; F282-L301 HydrophobicContact CZ-CG 3.95Å; L285-L301 HydrophobicContact CB-CD1 3.81Å; L285-L301 HydrophobicContact CB-CD2 4.4Å; L285-L301 HydrophobicContact CD1-CD1 4.39Å; A286-L301 HydrophobicContact CB-CD2 3.78Å; L301-L303 PolarHBondContact O-N 3.22Å; L301-L306 HydrophobicContact CB-CD2 4.44Å; L301-L306 HydrophobicContact CD1-CD1 4.07Å; L301-L306 HydrophobicContact CD1-CD2 4.22Å; L301-T335 CarbonylContact O-C 3.59Å; L301-T335 WeakPolarHBondContact O-CA 3.35Å; L301-T335 WeakPolarHBondContact O-CB 3.29Å; L301-I336 PolarHBondContact N-O 3.29Å; L301-I336 PolarHBondContact O-N 3.29Å
302	E	87.6	Confident	83.1	Confident	73 Å²	73	63.5 Å²	63.5	34%	0.341	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.3	169	-53.9	-45.8	126.2	0	0	109.1	Q289 K291 E304 Q305 L306	Q289-E302 PolarHBondContact NE2-O 3.11Å; K291-E302 IonicContact NZ-OE1 3.92Å; K291-E302 PolarHBondContact NZ-OE1 2.88Å; E302-E304 PolarHBondContact O-N 3.26Å; E302-Q305 HydrophobicContact CB-CB 4.19Å; E302-Q305 HydrophobicContact CB-CG 4.14Å; E302-Q305 PolarHBondContact O-N 3.41Å; E302-L306 VanDerWaalsContact O-CB 3.3Å; E302-L306 WeakPolarHBondContact O-CB 3.47Å; E302-L306 PolarHBondContact O-N 3.35Å
303	L	84.6	Confident	82.8	Confident	16 Å²	16	64.1 Å²	64.1	8%	0.084	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-44.8	-171.7	179.7	63.5	0	0	0	112.7	L301 L306 K307 F325 G334 I336	L301-L303 PolarHBondContact O-N 3.22Å; L303-L306 WeakPolarHBondContact O-CB 3.34Å; L303-L306 PolarHBondContact O-N 2.97Å; L303-K307 HydrophobicContact CD1-CG 4.5Å; L303-K307 HydrophobicContact CG-CD 4.35Å; L303-K307 WeakPolarHBondContact O-CG 3.29Å; L303-K307 PolarHBondContact O-N 3.29Å; L303-F325 HydrophobicContact CD1-CB 3.93Å; L303-F325 HydrophobicContact CD1-CD1 4.17Å; L303-F325 HydrophobicContact CD1-CD2 3.83Å; L303-F325 HydrophobicContact CD1-CE2 4.36Å; L303-F325 HydrophobicContact CD1-CG 3.72Å; L303-G334 WeakPolarHBondContact CB-O 3.37Å; L303-G334 PolarHBondContact N-O 3.1Å; L303-I336 HydrophobicContact CD1-CD1 3.58Å; L303-I336 HydrophobicContact CD1-CG1 4.25Å
304	E	83.8	Confident	82.3	Confident	103 Å²	103	59.7 Å²	59.7	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-69.1	-42.8	-177.7	-61.4	-50.8	120.2	0	0	112	E302 L306 K307 E308	E302-E304 PolarHBondContact O-N 3.26Å; E304-L306 VanDerWaalsContact C-N 3.26Å; E304-L306 PolarHBondContact O-N 2.72Å; E304-K307 PolarHBondContact O-N 3.38Å; E304-K307 IonicContact OE1-NZ 2.69Å; E304-K307 PolarHBondContact OE1-NZ 2.97Å; E304-K307 IonicContact OE2-NZ 2.62Å; E304-E308 WeakPolarHBondContact O-CG 3.45Å; E304-E308 PolarHBondContact O-N 3.3Å
305	Q	84.3	Confident	81.4	Confident	94 Å²	94	55.8 Å²	55.8	44%	0.439	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-33.5	174.2	-63.7	179.3	10.7	0	0	112	E302 S309	E302-Q305 HydrophobicContact CB-CB 4.19Å; E302-Q305 HydrophobicContact CB-CG 4.14Å; E302-Q305 PolarHBondContact O-N 3.41Å; Q305-S309 WeakPolarHBondContact O-CB 3.45Å; Q305-S309 PolarHBondContact O-N 2.89Å; Q305-S309 PolarHBondContact O-OG 3.33Å
306	L	84.2	Confident	80.5	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-52.2	172.7	173.9	60.3	0	0	0	110.6	L285 L301 E302 L303 E304 E308 S309 L310 F325 I336 W341	L285-L306 HydrophobicContact CD1-CD1 3.62Å; L285-L306 HydrophobicContact CD2-CD1 3.88Å; L285-L306 HydrophobicContact CG-CD1 4.24Å; L301-L306 HydrophobicContact CB-CD2 4.44Å; L301-L306 HydrophobicContact CD1-CD1 4.07Å; L301-L306 HydrophobicContact CD1-CD2 4.22Å; E302-L306 VanDerWaalsContact O-CB 3.3Å; E302-L306 WeakPolarHBondContact O-CB 3.47Å; E302-L306 PolarHBondContact O-N 3.35Å; L303-L306 WeakPolarHBondContact O-CB 3.34Å; L303-L306 PolarHBondContact O-N 2.97Å; E304-L306 VanDerWaalsContact C-N 3.26Å; E304-L306 PolarHBondContact O-N 2.72Å; L306-E308 VanDerWaalsContact C-N 3.32Å; L306-E308 PolarHBondContact O-N 3.27Å; L306-S309 PolarHBondContact O-N 3.34Å; L306-S309 VanDerWaalsContact O-N 3.15Å; L306-L310 HydrophobicContact CD1-CD1 3.87Å; L306-L310 HydrophobicContact CD1-CD2 4.25Å; L306-L310 HydrophobicContact CD1-CG 3.88Å; L306-L310 HydrophobicContact CG-CD1 3.98Å; L306-L310 HydrophobicContact CG-CG 4.38Å; L306-L310 WeakPolarHBondContact O-CB 3.47Å; L306-L310 VanDerWaalsContact O-CG 3.27Å; L306-L310 WeakPolarHBondContact O-CG 3.44Å; L306-L310 PolarHBondContact O-N 2.72Å; L306-F325 HydrophobicContact CD2-CE1 4.17Å; L306-F325 HydrophobicContact CD2-CE2 4.48Å; L306-F325 HydrophobicContact CD2-CZ 3.77Å; L306-F325 HydrophobicContact CG-CZ 4.27Å; L306-I336 HydrophobicContact CD2-CD1 4.27Å; L306-W341 HydrophobicContact CD1-CZ3 4.26Å; L306-W341 HydrophobicContact CD2-CE3 4.46Å; L306-W341 HydrophobicContact CD2-CZ3 4.23Å
307	K	82.6	Confident	79.8	Confident	37 Å²	37	56.3 Å²	56.3	16%	0.161	30%	0.298	C	S	.	.	H	α-helix	trans	-54.9	-46.3	176.1	-71.5	170	178.5	169.7	0	112	L303 E304 T311 I321 F325	L303-K307 HydrophobicContact CD1-CG 4.5Å; L303-K307 HydrophobicContact CG-CD 4.35Å; L303-K307 WeakPolarHBondContact O-CG 3.29Å; L303-K307 PolarHBondContact O-N 3.29Å; E304-K307 PolarHBondContact O-N 3.38Å; E304-K307 IonicContact OE1-NZ 2.69Å; E304-K307 PolarHBondContact OE1-NZ 2.97Å; E304-K307 IonicContact OE2-NZ 2.62Å; K307-T311 WeakPolarHBondContact O-CB 3.42Å; K307-T311 PolarHBondContact O-N 3.4Å; K307-T311 PolarHBondContact O-OG1 3.5Å; K307-I321 HydrophobicContact CB-CG2 4.29Å; K307-I321 HydrophobicContact CG-CG2 4.09Å; K307-F325 HydrophobicContact CG-CD2 4.29Å; K307-F325 HydrophobicContact CG-CE2 4.36Å
308	E	82.4	Confident	79.2	Confident	119 Å²	119	61.7 Å²	61.7	56%	0.556	32%	0.315	S	S	*	.	H	α-helix	trans	-60.3	-46.8	176.1	-75.8	-176.9	172.8	0	0	111.7	E304 L306 T311 Q312	E304-E308 WeakPolarHBondContact O-CG 3.45Å; E304-E308 PolarHBondContact O-N 3.3Å; L306-E308 VanDerWaalsContact C-N 3.32Å; L306-E308 PolarHBondContact O-N 3.27Å; E308-T311 PolarHBondContact O-N 3.27Å; E308-Q312 WeakPolarHBondContact O-CB 3.37Å; E308-Q312 VanDerWaalsContact O-CG 3.3Å; E308-Q312 WeakPolarHBondContact O-CG 3.34Å; E308-Q312 PolarHBondContact O-N 2.73Å
309	S	81.4	Confident	78.5	Confident	25 Å²	25	62 Å²	62	18%	0.175	32%	0.32	C	S	.	.	H	α-helix	trans	-66	-41.5	-178.6	-63.3	0	0	0	0	111.9	Q305 L306 Q312 M313	Q305-S309 WeakPolarHBondContact O-CB 3.45Å; Q305-S309 PolarHBondContact O-N 2.89Å; Q305-S309 PolarHBondContact O-OG 3.33Å; L306-S309 PolarHBondContact O-N 3.34Å; L306-S309 VanDerWaalsContact O-N 3.15Å; S309-Q312 PolarHBondContact O-N 3.15Å; S309-M313 WeakPolarHBondContact O-CB 3.36Å; S309-M313 WeakPolarHBondContact O-CE 3.32Å; S309-M313 WeakPolarHBondContact O-CG 3.44Å; S309-M313 PolarHBondContact O-N 3.29Å
310	L	78.9	Confident	77.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-62.1	-44.4	172.6	-65.8	175.8	0	0	0	111	F281 L285 L306 M313 G314 V315 I321 F325 W341	F281-L310 HydrophobicContact CE1-CD2 3.87Å; F281-L310 HydrophobicContact CZ-CD2 3.63Å; L285-L310 HydrophobicContact CD1-CD2 4.39Å; L306-L310 HydrophobicContact CD1-CD1 3.87Å; L306-L310 HydrophobicContact CD1-CD2 4.25Å; L306-L310 HydrophobicContact CD1-CG 3.88Å; L306-L310 HydrophobicContact CG-CD1 3.98Å; L306-L310 HydrophobicContact CG-CG 4.38Å; L306-L310 WeakPolarHBondContact O-CB 3.47Å; L306-L310 VanDerWaalsContact O-CG 3.27Å; L306-L310 WeakPolarHBondContact O-CG 3.44Å; L306-L310 PolarHBondContact O-N 2.72Å; L310-M313 PolarHBondContact O-N 3.13Å; L310-G314 PolarHBondContact O-N 3.03Å; L310-V315 HydrophobicContact CB-CB 3.98Å; L310-V315 HydrophobicContact CB-CG1 4.09Å; L310-V315 HydrophobicContact CB-CG2 4.11Å; L310-V315 HydrophobicContact CD2-CB 4.29Å; L310-V315 HydrophobicContact CD2-CG1 3.95Å; L310-V315 HydrophobicContact CD2-CG2 3.81Å; L310-V315 HydrophobicContact CG-CG1 4.43Å; L310-V315 VanDerWaalsContact O-CB 3.24Å; L310-V315 WeakPolarHBondContact O-CB 3.1Å; L310-V315 VanDerWaalsContact O-CG2 3.31Å; L310-V315 WeakPolarHBondContact O-CG2 3.21Å; L310-V315 PolarHBondContact O-N 3.14Å; L310-I321 HydrophobicContact CB-CD1 3.85Å; L310-I321 HydrophobicContact CB-CG2 4.3Å; L310-I321 HydrophobicContact CD1-CG2 3.95Å; L310-F325 HydrophobicContact CD1-CE2 4.06Å; L310-F325 HydrophobicContact CD1-CZ 4.01Å; L310-W341 HydrophobicContact CD2-CH2 4.4Å
311	T	78.9	Confident	76.7	Confident	59 Å²	59	59.7 Å²	59.7	36%	0.362	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-44.6	177.7	-53.6	0	0	0	0	111.7	K307 E308 M313 G314	K307-T311 WeakPolarHBondContact O-CB 3.42Å; K307-T311 PolarHBondContact O-N 3.4Å; K307-T311 PolarHBondContact O-OG1 3.5Å; E308-T311 PolarHBondContact O-N 3.27Å; T311-M313 VanDerWaalsContact C-N 3.28Å; T311-M313 PolarHBondContact O-N 3.4Å; T311-G314 PolarHBondContact O-N 2.88Å
312	Q	78.6	Confident	76	Confident	161 Å²	161	63.4 Å²	63.4	75%	0.752	33%	0.334	S	S	*	.	H	α-helix	trans	-64.2	-31.2	177	-74.4	178.1	24.9	0	0	112.9	E308 S309 G314	E308-Q312 WeakPolarHBondContact O-CB 3.37Å; E308-Q312 VanDerWaalsContact O-CG 3.3Å; E308-Q312 WeakPolarHBondContact O-CG 3.34Å; E308-Q312 PolarHBondContact O-N 2.73Å; S309-Q312 PolarHBondContact O-N 3.15Å; Q312-G314 VanDerWaalsContact C-N 3.27Å
313	M	71.3	Confident	75.2	Confident	59 Å²	59	64.8 Å²	64.8	29%	0.291	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	0	173.7	-71.3	-175	-74.3	0	0	113.5	F281 F284 L285 S309 L310 T311 V315	F281-M313 HydrophobicContact CE2-CE 3.83Å; F281-M313 HydrophobicContact CE2-SD 4.23Å; F281-M313 HydrophobicContact CZ-CE 3.97Å; F284-M313 HydrophobicContact CE1-SD 3.95Å; L285-M313 HydrophobicContact CD2-CE 3.72Å; S309-M313 WeakPolarHBondContact O-CB 3.36Å; S309-M313 WeakPolarHBondContact O-CE 3.32Å; S309-M313 WeakPolarHBondContact O-CG 3.44Å; S309-M313 PolarHBondContact O-N 3.29Å; L310-M313 PolarHBondContact O-N 3.13Å; T311-M313 VanDerWaalsContact C-N 3.28Å; T311-M313 PolarHBondContact O-N 3.4Å; M313-V315 VanDerWaalsContact C-N 3.31Å; M313-V315 HydrophobicContact CB-CG2 3.99Å; M313-V315 PolarHBondContact O-N 2.79Å
314	G	68.2	Low	74.6	Confident	59 Å²	59	67.1 Å²	67.1	61%	0.608	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	31.2	-179.9	0	0	0	0	0	113.6	L310 T311 Q312	L310-G314 PolarHBondContact O-N 3.03Å; T311-G314 PolarHBondContact O-N 2.88Å; Q312-G314 VanDerWaalsContact C-N 3.27Å
315	V	65.9	Low	74	Confident	13 Å²	13	62.8 Å²	62.8	8%	0.079	33%	0.331	C	S	.	.			trans	-62.9	-49.4	-174	160.8	0	0	0	0	112	F281 L310 M313 W324 L365	F281-V315 HydrophobicContact CZ-CG2 4.38Å; L310-V315 HydrophobicContact CB-CB 3.98Å; L310-V315 HydrophobicContact CB-CG1 4.09Å; L310-V315 HydrophobicContact CB-CG2 4.11Å; L310-V315 HydrophobicContact CD2-CB 4.29Å; L310-V315 HydrophobicContact CD2-CG1 3.95Å; L310-V315 HydrophobicContact CD2-CG2 3.81Å; L310-V315 HydrophobicContact CG-CG1 4.43Å; L310-V315 VanDerWaalsContact O-CB 3.24Å; L310-V315 WeakPolarHBondContact O-CB 3.1Å; L310-V315 VanDerWaalsContact O-CG2 3.31Å; L310-V315 WeakPolarHBondContact O-CG2 3.21Å; L310-V315 PolarHBondContact O-N 3.14Å; M313-V315 VanDerWaalsContact C-N 3.31Å; M313-V315 HydrophobicContact CB-CG2 3.99Å; M313-V315 PolarHBondContact O-N 2.79Å; V315-W324 HydrophobicContact CG1-CH2 3.63Å; V315-W324 HydrophobicContact CG1-CZ3 3.6Å; V315-L365 HydrophobicContact CB-CD1 3.91Å; V315-L365 HydrophobicContact CB-CG 4.45Å; V315-L365 HydrophobicContact CG1-CD1 3.62Å; V315-L365 HydrophobicContact CG2-CD1 4.14Å; V315-L365 HydrophobicContact CG2-CD2 4.26Å; V315-L365 HydrophobicContact CG2-CG 4.25Å; V315-L365 WeakPolarHBondContact O-CD1 3.34Å
316	A	63.1	Low	73	Confident	29 Å²	29	63.1 Å²	63.1	24%	0.24	34%	0.34	C	S	.	.	S	Bend	trans	-155.7	179	172.2	0	0	0	0	0	108.8	D320 I321 W324	A316-D320 HydrophobicContact CB-CB 3.84Å; A316-I321 HydrophobicContact CB-CG1 3.95Å; A316-W324 HydrophobicContact CB-CH2 4.02Å; A316-W324 HydrophobicContact CB-CZ2 3.84Å
317	A	69.3	Low	71.9	Confident	55 Å²	55	64.9 Å²	64.9	46%	0.455	36%	0.358	S	S	.	.			trans	-62.4	151.2	169.7	0	0	0	0	0	109.8	D319 D320 I321	A317-D319 PolarHBondContact O-N 2.85Å; A317-D320 WeakPolarHBondContact CB-OD2 3.45Å; A317-D320 WeakPolarHBondContact O-CB 3.37Å; A317-D320 PolarHBondContact O-N 2.72Å; A317-I321 WeakPolarHBondContact O-CG1 3.36Å; A317-I321 PolarHBondContact O-N 2.95Å
318	R	71.3	Confident	70.5	Confident	156 Å²	156	72.1 Å²	72.1	59%	0.589	39%	0.392	S	S	*	.	H	α-helix	trans	-53.7	-43.7	-179.6	-176.3	179.2	178.3	144.9	6.7	111.6	D320 I321 E322	R318-D320 VanDerWaalsContact C-N 3.33Å; R318-D320 PolarHBondContact O-N 2.93Å; R318-I321 PolarHBondContact O-N 3.22Å; R318-E322 IonicContact CZ-OE1 2.84Å; R318-E322 IonicContact NE-OE1 2.72Å; R318-E322 PolarHBondContact NE-OE1 2.72Å; R318-E322 IonicContact NH2-OE1 2.95Å; R318-E322 WeakPolarHBondContact O-CG 3.37Å; R318-E322 PolarHBondContact O-N 3.14Å
319	D	68.8	Low	69.2	Low	113 Å²	113	74.5 Å²	74.5	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-63.5	-36	179.3	-50.2	-7	0	0	0	112	A317 N323	A317-D319 PolarHBondContact O-N 2.85Å; D319-N323 WeakPolarHBondContact O-CB 3.4Å; D319-N323 VanDerWaalsContact O-CG 3.3Å; D319-N323 PolarHBondContact O-N 3.4Å; D319-N323 VanDerWaalsContact O-N 3.07Å; D319-N323 PolarHBondContact O-ND2 3.25Å
320	D	68.1	Low	68.2	Low	82 Å²	82	74.6 Å²	74.6	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-67.3	-45.2	174	-67.6	-45.3	0	0	0	111.1	A316 A317 R318 E322 N323 W324	A316-D320 HydrophobicContact CB-CB 3.84Å; A317-D320 WeakPolarHBondContact CB-OD2 3.45Å; A317-D320 WeakPolarHBondContact O-CB 3.37Å; A317-D320 PolarHBondContact O-N 2.72Å; R318-D320 VanDerWaalsContact C-N 3.33Å; R318-D320 PolarHBondContact O-N 2.93Å; D320-E322 VanDerWaalsContact C-N 3.34Å; D320-E322 PolarHBondContact O-N 3.1Å; D320-N323 WeakPolarHBondContact O-CB 3.31Å; D320-N323 PolarHBondContact O-N 3.04Å; D320-W324 PolarHBondContact O-N 2.89Å; D320-W324 PolarHBondContact O-NE1 2.74Å
321	I	69.6	Low	67	Low	1 Å²	1	75.4 Å²	75.4	1%	0.005	41%	0.408	C	S	.	.	H	α-helix	trans	-63.4	-41.1	178.8	-60.9	168.6	0	0	0	110.4	K307 L310 A316 A317 R318 N323 W324 F325	K307-I321 HydrophobicContact CB-CG2 4.29Å; K307-I321 HydrophobicContact CG-CG2 4.09Å; L310-I321 HydrophobicContact CB-CD1 3.85Å; L310-I321 HydrophobicContact CB-CG2 4.3Å; L310-I321 HydrophobicContact CD1-CG2 3.95Å; A316-I321 HydrophobicContact CB-CG1 3.95Å; A317-I321 WeakPolarHBondContact O-CG1 3.36Å; A317-I321 PolarHBondContact O-N 2.95Å; R318-I321 PolarHBondContact O-N 3.22Å; I321-N323 VanDerWaalsContact C-N 3.35Å; I321-W324 PolarHBondContact O-N 3.09Å; I321-F325 HydrophobicContact CG2-CD2 4.43Å; I321-F325 HydrophobicContact CG2-CE2 3.89Å; I321-F325 WeakPolarHBondContact O-CD2 3.31Å
322	E	72.8	Confident	66.1	Low	78 Å²	78	79.6 Å²	79.6	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-61.4	-45.1	174.8	-74.3	-179.5	-162.7	0	0	110.4	R318 D320 W324 F325 T326	R318-E322 IonicContact CZ-OE1 2.84Å; R318-E322 IonicContact NE-OE1 2.72Å; R318-E322 PolarHBondContact NE-OE1 2.72Å; R318-E322 IonicContact NH2-OE1 2.95Å; R318-E322 WeakPolarHBondContact O-CG 3.37Å; R318-E322 PolarHBondContact O-N 3.14Å; D320-E322 VanDerWaalsContact C-N 3.34Å; D320-E322 PolarHBondContact O-N 3.1Å; E322-W324 VanDerWaalsContact C-N 3.34Å; E322-W324 PolarHBondContact O-N 3.46Å; E322-F325 PolarHBondContact O-N 2.77Å; E322-T326 WeakPolarHBondContact O-CG2 3.5Å
323	N	72.4	Confident	65.5	Low	102 Å²	102	75.6 Å²	75.6	55%	0.545	42%	0.417	S	S	.	.	H	α-helix	trans	-62.1	-31.3	176	-76.7	-49.9	0	0	0	114.6	D319 D320 I321 F325 T326	D319-N323 WeakPolarHBondContact O-CB 3.4Å; D319-N323 VanDerWaalsContact O-CG 3.3Å; D319-N323 PolarHBondContact O-N 3.4Å; D319-N323 VanDerWaalsContact O-N 3.07Å; D319-N323 PolarHBondContact O-ND2 3.25Å; D320-N323 WeakPolarHBondContact O-CB 3.31Å; D320-N323 PolarHBondContact O-N 3.04Å; I321-N323 VanDerWaalsContact C-N 3.35Å; N323-F325 PolarHBondContact O-N 3.41Å; N323-F325 VanDerWaalsContact O-N 3.17Å; N323-T326 PolarHBondContact O-N 3.46Å; N323-T326 PolarHBondContact O-OG1 2.86Å
324	W	71.2	Confident	65.9	Low	65 Å²	65	74.5 Å²	74.5	25%	0.246	42%	0.421	C	S	.	.	H	α-helix	trans	-62.3	-22.6	178.8	-66.8	-1.8	0	0	0	113.5	V315 A316 D320 I321 E322 L344	V315-W324 HydrophobicContact CG1-CH2 3.63Å; V315-W324 HydrophobicContact CG1-CZ3 3.6Å; A316-W324 HydrophobicContact CB-CH2 4.02Å; A316-W324 HydrophobicContact CB-CZ2 3.84Å; D320-W324 PolarHBondContact O-N 2.89Å; D320-W324 PolarHBondContact O-NE1 2.74Å; I321-W324 PolarHBondContact O-N 3.09Å; E322-W324 VanDerWaalsContact C-N 3.34Å; E322-W324 PolarHBondContact O-N 3.46Å; W324-L344 VanDerWaalsContact O-CD2 3.26Å; W324-L344 WeakPolarHBondContact O-CD2 3.28Å
325	F	71.3	Confident	66.7	Low	11 Å²	11	72.6 Å²	72.6	5%	0.048	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	15.4	-174.8	-54.4	-64.4	0	0	0	113.6	L303 L306 K307 L310 I321 E322 N323 L330 I336 W341 L344	L303-F325 HydrophobicContact CD1-CB 3.93Å; L303-F325 HydrophobicContact CD1-CD1 4.17Å; L303-F325 HydrophobicContact CD1-CD2 3.83Å; L303-F325 HydrophobicContact CD1-CE2 4.36Å; L303-F325 HydrophobicContact CD1-CG 3.72Å; L306-F325 HydrophobicContact CD2-CE1 4.17Å; L306-F325 HydrophobicContact CD2-CE2 4.48Å; L306-F325 HydrophobicContact CD2-CZ 3.77Å; L306-F325 HydrophobicContact CG-CZ 4.27Å; K307-F325 HydrophobicContact CG-CD2 4.29Å; K307-F325 HydrophobicContact CG-CE2 4.36Å; L310-F325 HydrophobicContact CD1-CE2 4.06Å; L310-F325 HydrophobicContact CD1-CZ 4.01Å; I321-F325 HydrophobicContact CG2-CD2 4.43Å; I321-F325 HydrophobicContact CG2-CE2 3.89Å; I321-F325 WeakPolarHBondContact O-CD2 3.31Å; E322-F325 PolarHBondContact O-N 2.77Å; N323-F325 PolarHBondContact O-N 3.41Å; N323-F325 VanDerWaalsContact O-N 3.17Å; F325-L330 HydrophobicContact CD1-CD2 4.29Å; F325-I336 HydrophobicContact CD1-CD1 3.12Å; F325-I336 HydrophobicContact CE1-CD1 3.28Å; F325-I336 HydrophobicContact CG-CD1 3.96Å; F325-I336 HydrophobicContact CZ-CD1 4.25Å; F325-W341 HydrophobicContact CZ-CZ3 4.35Å; F325-L344 HydrophobicContact CE1-CD1 3.86Å
326	T	63.5	Low	67.6	Low	102 Å²	102	72 Å²	72	63%	0.626	39%	0.394	S	S	*	.			trans	-92.2	-5.3	179.6	55.7	0	0	0	0	115.3	E322 N323	E322-T326 WeakPolarHBondContact O-CG2 3.5Å; N323-T326 PolarHBondContact O-N 3.46Å; N323-T326 PolarHBondContact O-OG1 2.86Å
327	G	60.7	Low	68.9	Low	36 Å²	36	70.8 Å²	70.8	37%	0.371	38%	0.384	S	S	.	.	S	Bend	trans	-61.3	148	178.8	0	0	0	0	0	112.8	K329 L330	G327-K329 PolarHBondContact O-N 3.23Å; G327-L330 PolarHBondContact O-N 2.91Å
328	E	53.7	Low	69.7	Low	189 Å²	189	68.3 Å²	68.3	88%	0.883	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-12.5	-166.5	-66.3	-173.9	147.9	0	0	117.8
329	K	53.8	Low	70.4	Confident	169 Å²	169	61.4 Å²	61.4	74%	0.735	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-13.3	179	-64.6	-175.2	178.8	-178	0	114.8	G327	G327-K329 PolarHBondContact O-N 3.23Å
330	L	60.2	Low	71	Confident	27 Å²	27	57.7 Å²	57.7	14%	0.141	32%	0.318	C	S	.	.	S	Bend	trans	-81.2	143.3	-180	-82.3	131.6	0	0	0	110.2	F325 G327 L332 I336 D340 L344	F325-L330 HydrophobicContact CD1-CD2 4.29Å; G327-L330 PolarHBondContact O-N 2.91Å; L330-L332 PolarHBondContact O-N 3.46Å; L330-I336 HydrophobicContact CD2-CD1 4.1Å; L330-D340 HydrophobicContact CD2-CB 4.01Å; L330-L344 HydrophobicContact CD1-CD2 4.15Å; L330-L344 HydrophobicContact CD2-CD2 4.08Å
331	G	53.8	Low	71.7	Confident	18 Å²	18	53.8 Å²	53.8	19%	0.186	30%	0.297	C	S	.	.	S	Bend	trans	72.5	-9.7	171.5	0	0	0	0	0	117.2	S333 G334	G331-S333 PolarHBondContact O-N 3.28Å; G331-G334 PolarHBondContact O-N 2.81Å
332	L	60	Low	72.2	Confident	146 Å²	146	55.2 Å²	55.2	76%	0.764	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-25.5	179.4	-69.6	177.6	0	0	0	114.4	L330	L330-L332 PolarHBondContact O-N 3.46Å
333	S	67.3	Low	72.3	Confident	77 Å²	77	53.7 Å²	53.7	54%	0.538	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-1.9	177.7	74.7	0	0	0	0	114.5	G331 T335	G331-S333 PolarHBondContact O-N 3.28Å; S333-T335 PolarHBondContact O-N 2.97Å; S333-T335 PolarHBondContact OG-N 2.94Å; S333-T335 VanDerWaalsContact OG-N 3.13Å; S333-T335 PolarHBondContact OG-O 3.02Å; S333-T335 PolarHBondContact OG-OG1 2.76Å
334	G	78.8	Confident	72.2	Confident	36 Å²	36	49.4 Å²	49.4	37%	0.371	28%	0.279	S	S	.	.	S	Bend	trans	72.4	-6.2	-164.9	0	0	0	0	0	114.4	L303 G331	L303-G334 WeakPolarHBondContact CB-O 3.37Å; L303-G334 PolarHBondContact N-O 3.1Å; G331-G334 PolarHBondContact O-N 2.81Å
335	T	85.3	Confident	71.9	Confident	20 Å²	20	46.7 Å²	46.7	12%	0.123	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.5	-179.2	72.2	0	0	0	0	112.8	L301 S333	L301-T335 CarbonylContact O-C 3.59Å; L301-T335 WeakPolarHBondContact O-CA 3.35Å; L301-T335 WeakPolarHBondContact O-CB 3.29Å; S333-T335 PolarHBondContact O-N 2.97Å; S333-T335 PolarHBondContact OG-N 2.94Å; S333-T335 VanDerWaalsContact OG-N 3.13Å; S333-T335 PolarHBondContact OG-O 3.02Å; S333-T335 PolarHBondContact OG-OG1 2.76Å
336	I	85.8	Confident	71.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	124.6	177.4	-73.8	-173.5	0	0	0	109.3	R300 L301 L303 L306 F325 L330 D340 W341	R300-I336 CarbonylContact C-O 3.57Å; R300-I336 WeakPolarHBondContact CA-O 3.3Å; L301-I336 PolarHBondContact N-O 3.29Å; L301-I336 PolarHBondContact O-N 3.29Å; L303-I336 HydrophobicContact CD1-CD1 3.58Å; L303-I336 HydrophobicContact CD1-CG1 4.25Å; L306-I336 HydrophobicContact CD2-CD1 4.27Å; F325-I336 HydrophobicContact CD1-CD1 3.12Å; F325-I336 HydrophobicContact CE1-CD1 3.28Å; F325-I336 HydrophobicContact CG-CD1 3.96Å; F325-I336 HydrophobicContact CZ-CD1 4.25Å; L330-I336 HydrophobicContact CD2-CD1 4.1Å; I336-D340 HydrophobicContact CG2-CB 3.92Å; I336-W341 HydrophobicContact CG2-CB 4.25Å
337	D	88.8	Confident	70.3	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-177.2	171.3	69.3	43.3	0	0	0	113.3	K299 R300 L339 D340 W341 R456	K299-D337 WeakPolarHBondContact O-CA 3.34Å; K299-D337 WeakPolarHBondContact O-CB 3.44Å; R300-D337 HydrophobicContact CG-CB 4.15Å; D337-L339 VanDerWaalsContact C-N 3.25Å; D337-L339 PolarHBondContact O-N 3.47Å; D337-L339 WeakPolarHBondContact OD1-CA 3.43Å; D337-L339 WeakPolarHBondContact OD1-CB 3.28Å; D337-L339 PolarHBondContact OD1-N 2.89Å; D337-D340 PolarHBondContact N-OD2 3.5Å; D337-D340 PolarHBondContact O-N 2.95Å; D337-D340 PolarHBondContact OD1-N 3.11Å; D337-W341 VanDerWaalsContact O-CB 3.29Å; D337-W341 WeakPolarHBondContact O-CB 3.39Å; D337-W341 PolarHBondContact O-N 3.14Å; D337-R456 VanDerWaalsContact CG-NH1 3.28Å; D337-R456 IonicContact OD1-CZ 3.71Å; D337-R456 IonicContact OD1-NH1 3.95Å; D337-R456 PolarHBondContact OD1-NH1 2.93Å; D337-R456 IonicContact OD1-NH2 3.2Å; D337-R456 IonicContact OD2-CZ 3.9Å; D337-R456 IonicContact OD2-NH1 2.66Å; D337-R456 PolarHBondContact OD2-NH1 2.93Å; D337-R456 IonicContact OD2-NH2 3.62Å; D337-R456 PolarHBondContact OD2-NH2 3.04Å
338	L	86.3	Confident	69.2	Low	3 Å²	3	52.9 Å²	52.9	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-26.6	-176.7	-178.7	57.1	0	0	0	112.9	R279 F282 N342 L449	R279-L338 HydrophobicContact CG-CD1 4.18Å; R279-L338 HydrophobicContact CG-CD2 4.14Å; F282-L338 HydrophobicContact CB-CD1 4.03Å; F282-L338 HydrophobicContact CD1-CB 4.07Å; F282-L338 HydrophobicContact CD1-CD1 3.77Å; F282-L338 HydrophobicContact CD1-CG 4.37Å; F282-L338 HydrophobicContact CD2-CD1 4.43Å; F282-L338 HydrophobicContact CE1-CB 3.75Å; F282-L338 HydrophobicContact CE1-CD1 4.34Å; F282-L338 HydrophobicContact CG-CD1 3.81Å; F282-L338 HydrophobicContact CZ-CB 4.03Å; F282-L338 VanDerWaalsContact CZ-N 3.33Å; L338-N342 VanDerWaalsContact O-CB 3.29Å; L338-N342 WeakPolarHBondContact O-CB 3.26Å; L338-N342 PolarHBondContact O-N 3.4Å; L338-N342 PolarHBondContact O-ND2 2.8Å; L338-N342 VanDerWaalsContact O-ND2 3.08Å; L338-L449 HydrophobicContact CB-CD2 4.38Å; L338-L449 HydrophobicContact CD2-CD1 3.68Å; L338-L449 HydrophobicContact CD2-CD2 4.07Å; L338-L449 HydrophobicContact CG-CD2 4.45Å
339	L	85.7	Confident	68.6	Low	11 Å²	11	50 Å²	50	6%	0.058	29%	0.291	C	S	.	.	H	α-helix	trans	-77.1	-42.6	177.4	-62.5	-178.9	0	0	0	110.7	D337 W341 N342 S343 L449 E452 L453	D337-L339 VanDerWaalsContact C-N 3.25Å; D337-L339 PolarHBondContact O-N 3.47Å; D337-L339 WeakPolarHBondContact OD1-CA 3.43Å; D337-L339 WeakPolarHBondContact OD1-CB 3.28Å; D337-L339 PolarHBondContact OD1-N 2.89Å; L339-W341 VanDerWaalsContact C-N 3.32Å; L339-W341 PolarHBondContact O-N 3.01Å; L339-N342 CarbonylContact O-C 3.52Å; L339-N342 PolarHBondContact O-N 3.38Å; L339-S343 PolarHBondContact O-N 3.3Å; L339-L449 HydrophobicContact CD2-CB 4.19Å; L339-L449 HydrophobicContact CD2-CD2 4.02Å; L339-L449 HydrophobicContact CG-CD2 4.26Å; L339-E452 HydrophobicContact CD1-CB 4.03Å; L339-E452 HydrophobicContact CD1-CG 3.57Å; L339-L453 HydrophobicContact CB-CD1 4.47Å; L339-L453 HydrophobicContact CD1-CB 4.02Å; L339-L453 HydrophobicContact CD1-CD1 4.44Å; L339-L453 HydrophobicContact CD2-CB 4.11Å; L339-L453 HydrophobicContact CD2-CD1 4.41Å
340	D	82.7	Confident	68.2	Low	35 Å²	35	47.9 Å²	47.9	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-46.5	172.2	-54.7	-34.5	0	0	0	110	L330 I336 D337 N342 S343 R456	L330-D340 HydrophobicContact CD2-CB 4.01Å; I336-D340 HydrophobicContact CG2-CB 3.92Å; D337-D340 PolarHBondContact N-OD2 3.5Å; D337-D340 PolarHBondContact O-N 2.95Å; D337-D340 PolarHBondContact OD1-N 3.11Å; D340-N342 VanDerWaalsContact C-N 3.34Å; D340-N342 PolarHBondContact O-N 3.41Å; D340-S343 WeakPolarHBondContact O-CB 3.28Å; D340-S343 PolarHBondContact O-N 2.99Å; D340-S343 PolarHBondContact O-OG 3.35Å; D340-R456 IonicContact OD1-NH1 3.49Å
341	W	82.1	Confident	67.4	Low	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-37	174.9	-177.6	-99.8	0	0	0	113.5	W278 F281 F282 L285 L306 L310 F325 I336 D337 L339 S343 L344	W278-W341 AromaticContact CD1-CD1 3.46Å; W278-W341 VanDerWaalsContact CD1-CD1 3.46Å; W278-W341 AromaticContact CD1-NE1 3.31Å; W278-W341 VanDerWaalsContact CD1-NE1 3.31Å; W278-W341 AromaticContact CD2-CE2 3.94Å; W278-W341 HydrophobicContact CD2-CZ2 4.08Å; W278-W341 AromaticContact CD2-NE1 3.49Å; W278-W341 AromaticContact CE2-CD1 3.72Å; W278-W341 AromaticContact CE2-CE2 3.41Å; W278-W341 VanDerWaalsContact CE2-CE2 3.41Å; W278-W341 AromaticContact CE2-CZ2 3.77Å; W278-W341 AromaticContact CE2-NE1 3.15Å; W278-W341 HydrophobicContact CE3-CZ2 4.08Å; W278-W341 AromaticContact CG-NE1 3.61Å; W278-W341 AromaticContact CH2-CE2 3.96Å; W278-W341 AromaticContact CH2-CH2 3.85Å; W278-W341 HydrophobicContact CH2-CH2 3.85Å; W278-W341 AromaticContact CH2-CZ2 3.47Å; W278-W341 HydrophobicContact CH2-CZ2 3.47Å; W278-W341 VanDerWaalsContact CH2-CZ2 3.47Å; W278-W341 AromaticContact CZ2-CD2 3.97Å; W278-W341 HydrophobicContact CZ2-CD2 3.97Å; W278-W341 AromaticContact CZ2-CE2 3.43Å; W278-W341 VanDerWaalsContact CZ2-CE2 3.43Å; W278-W341 HydrophobicContact CZ2-CE3 4.47Å; W278-W341 HydrophobicContact CZ2-CG 4.49Å; W278-W341 HydrophobicContact CZ2-CH2 4.03Å; W278-W341 AromaticContact CZ2-CZ2 3.47Å; W278-W341 HydrophobicContact CZ2-CZ2 3.47Å; W278-W341 VanDerWaalsContact CZ2-CZ2 3.47Å; W278-W341 HydrophobicContact CZ2-CZ3 4.5Å; W278-W341 AromaticContact CZ2-NE1 3.71Å; W278-W341 HydrophobicContact CZ3-CH2 4.41Å; W278-W341 AromaticContact CZ3-CZ2 3.79Å; W278-W341 HydrophobicContact CZ3-CZ2 3.79Å; W278-W341 AromaticContact NE1-CD1 3.14Å; W278-W341 AromaticContact NE1-CE2 3.72Å; W278-W341 AromaticContact NE1-CG 3.85Å; W278-W341 AromaticContact NE1-NE1 3.05Å; W278-W341 PolarHBondContact NE1-O 3.4Å; W278-W341 PolarHBondContact O-NE1 3.5Å; F281-W341 HydrophobicContact CD1-CH2 4.16Å; F281-W341 AromaticContact CD1-CZ2 3.67Å; F281-W341 HydrophobicContact CD1-CZ2 3.67Å; F281-W341 HydrophobicContact CE1-CH2 4.06Å; F281-W341 HydrophobicContact CE1-CZ2 4.04Å; F282-W341 HydrophobicContact CB-CG 4.2Å; F282-W341 HydrophobicContact CD2-CB 3.66Å; F282-W341 AromaticContact CD2-CD1 3.8Å; F282-W341 AromaticContact CD2-CD2 3.87Å; F282-W341 HydrophobicContact CD2-CD2 3.87Å; F282-W341 HydrophobicContact CD2-CE3 4.47Å; F282-W341 AromaticContact CD2-CG 3.48Å; F282-W341 HydrophobicContact CD2-CG 3.48Å; F282-W341 VanDerWaalsContact CD2-CG 3.48Å; F282-W341 HydrophobicContact CE2-CB 3.96Å; F282-W341 HydrophobicContact CE2-CG 4.25Å; F282-W341 HydrophobicContact CG-CG 4.19Å; L285-W341 HydrophobicContact CD1-CH2 4.04Å; L285-W341 HydrophobicContact CD1-CZ2 4.32Å; L285-W341 HydrophobicContact CD1-CZ3 4.48Å; L306-W341 HydrophobicContact CD1-CZ3 4.26Å; L306-W341 HydrophobicContact CD2-CE3 4.46Å; L306-W341 HydrophobicContact CD2-CZ3 4.23Å; L310-W341 HydrophobicContact CD2-CH2 4.4Å; F325-W341 HydrophobicContact CZ-CZ3 4.35Å; I336-W341 HydrophobicContact CG2-CB 4.25Å; D337-W341 VanDerWaalsContact O-CB 3.29Å; D337-W341 WeakPolarHBondContact O-CB 3.39Å; D337-W341 PolarHBondContact O-N 3.14Å; L339-W341 VanDerWaalsContact C-N 3.32Å; L339-W341 PolarHBondContact O-N 3.01Å; W341-S343 VanDerWaalsContact C-N 3.33Å; W341-L344 HydrophobicContact CD2-CD1 4.44Å; W341-L344 HydrophobicContact CE3-CD1 3.92Å; W341-L344 HydrophobicContact CZ3-CD1 4.23Å
342	N	80.4	Confident	66.8	Low	30 Å²	30	52 Å²	52	16%	0.16	30%	0.302	C	S	.	.	H	α-helix	trans	-75.7	-20.3	174.3	-71.7	-23.8	0	0	0	112.9	L338 L339 D340 L344 I345 R416	L338-N342 VanDerWaalsContact O-CB 3.29Å; L338-N342 WeakPolarHBondContact O-CB 3.26Å; L338-N342 PolarHBondContact O-N 3.4Å; L338-N342 PolarHBondContact O-ND2 2.8Å; L338-N342 VanDerWaalsContact O-ND2 3.08Å; L339-N342 CarbonylContact O-C 3.52Å; L339-N342 PolarHBondContact O-N 3.38Å; D340-N342 VanDerWaalsContact C-N 3.34Å; D340-N342 PolarHBondContact O-N 3.41Å; N342-L344 VanDerWaalsContact C-N 3.29Å; N342-I345 PolarHBondContact O-N 3.3Å; N342-R416 PolarHBondContact O-NH2 2.93Å; N342-R416 VanDerWaalsContact O-NH2 3.11Å
343	S	75.1	Confident	65.9	Low	47 Å²	47	49.3 Å²	49.3	33%	0.329	29%	0.288	S	S	.	.	H	α-helix	trans	-70	-27.8	175.8	81	0	0	0	0	112.1	L339 D340 W341 I345 N346	L339-S343 PolarHBondContact O-N 3.3Å; D340-S343 WeakPolarHBondContact O-CB 3.28Å; D340-S343 PolarHBondContact O-N 2.99Å; D340-S343 PolarHBondContact O-OG 3.35Å; W341-S343 VanDerWaalsContact C-N 3.33Å; S343-I345 PolarHBondContact O-N 3.39Å; S343-I345 VanDerWaalsContact O-N 3.13Å; S343-N346 WeakPolarHBondContact O-CB 3.47Å; S343-N346 PolarHBondContact O-N 3.13Å
344	L	69.8	Low	64.6	Low	11 Å²	11	47 Å²	47	6%	0.058	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.1	-25.4	174.4	-60.1	175.4	0	0	0	113.1	W278 W324 F325 L330 W341 N342 N346 L354	W278-L344 HydrophobicContact CZ2-CB 4.22Å; W278-L344 HydrophobicContact CZ2-CD1 4.13Å; W324-L344 VanDerWaalsContact O-CD2 3.26Å; W324-L344 WeakPolarHBondContact O-CD2 3.28Å; F325-L344 HydrophobicContact CE1-CD1 3.86Å; L330-L344 HydrophobicContact CD1-CD2 4.15Å; L330-L344 HydrophobicContact CD2-CD2 4.08Å; W341-L344 HydrophobicContact CD2-CD1 4.44Å; W341-L344 HydrophobicContact CE3-CD1 3.92Å; W341-L344 HydrophobicContact CZ3-CD1 4.23Å; N342-L344 VanDerWaalsContact C-N 3.29Å; L344-N346 PolarHBondContact O-N 3.35Å; L344-L354 WeakPolarHBondContact O-CD1 3.43Å; L344-L354 VanDerWaalsContact O-CD2 3.32Å; L344-L354 WeakPolarHBondContact O-CD2 3.43Å
345	I	65.5	Low	63.2	Low	9 Å²	9	46 Å²	46	5%	0.046	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-71.4	-21.6	175.8	-64.4	165.5	0	0	0	111.7	L275 W278 N342 S343 L355	L275-I345 HydrophobicContact CD2-CD1 3.98Å; W278-I345 HydrophobicContact CB-CD1 4.45Å; W278-I345 HydrophobicContact CD2-CD1 4.41Å; W278-I345 HydrophobicContact CG-CD1 3.86Å; N342-I345 PolarHBondContact O-N 3.3Å; S343-I345 PolarHBondContact O-N 3.39Å; S343-I345 VanDerWaalsContact O-N 3.13Å; I345-L355 HydrophobicContact CG2-CD2 4.47Å
346	N	53.5	Low	61.5	Low	44 Å²	44	48 Å²	48	24%	0.235	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-90.9	-1.3	-166.8	-81.9	6.9	0	0	0	115.6	S343 L344 T348 R416 E420	S343-N346 WeakPolarHBondContact O-CB 3.47Å; S343-N346 PolarHBondContact O-N 3.13Å; L344-N346 PolarHBondContact O-N 3.35Å; N346-T348 VanDerWaalsContact C-N 3.33Å; N346-T348 WeakPolarHBondContact O-CG2 3.37Å; N346-T348 PolarHBondContact O-N 2.74Å; N346-R416 PolarHBondContact ND2-NH2 2.7Å; N346-R416 VanDerWaalsContact ND2-NH2 3.12Å; N346-R416 PolarHBondContact OD1-NH2 2.81Å; N346-E420 PolarHBondContact ND2-OE1 2.69Å
347	D	47.2	Very low	59.7	Low	110 Å²	110	48.2 Å²	48.2	59%	0.588	27%	0.266	S	S	*	.			trans	-73.2	88.8	178.2	-96.4	-27.2	0	0	0	111.6	T349 K350 L354	D347-T349 PolarHBondContact O-N 3.39Å; D347-K350 PolarHBondContact O-N 2.8Å; D347-K350 VanDerWaalsContact O-N 3.11Å; D347-L354 HydrophobicContact CB-CD1 3.73Å; D347-L354 WeakPolarHBondContact O-CD1 3.13Å
348	T	38.4	Very low	57.6	Low	124 Å²	124	48.8 Å²	48.8	76%	0.761	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.4	-164.7	53.1	0	0	0	0	115.8	N346	N346-T348 VanDerWaalsContact C-N 3.33Å; N346-T348 WeakPolarHBondContact O-CG2 3.37Å; N346-T348 PolarHBondContact O-N 2.74Å
349	T	40.6	Very low	56	Low	128 Å²	128	49.3 Å²	49.3	79%	0.785	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-16.8	179.2	48.1	0	0	0	0	113.9	D347	D347-T349 PolarHBondContact O-N 3.39Å
350	K	45.2	Very low	54	Low	126 Å²	126	54.5 Å²	54.5	55%	0.548	30%	0.299	S	S	.	.			trans	-141.5	47.1	179.1	-65.9	-174.8	-177.4	173.2	0	113	D347 S352 N353 L354	D347-K350 PolarHBondContact O-N 2.8Å; D347-K350 VanDerWaalsContact O-N 3.11Å; K350-S352 PolarHBondContact O-N 3.49Å; K350-N353 HydrophobicContact CB-CB 4.31Å; K350-N353 PolarHBondContact O-N 2.69Å; K350-L354 PolarHBondContact O-N 3.04Å
351	M	42.3	Very low	52.2	Low	82 Å²	82	60.3 Å²	60.3	40%	0.404	33%	0.326	S	S	.	.	H	α-helix	trans	-54.8	-21.7	173	-145.7	168.8	77	0	0	112.6	L355 M380	M351-L355 VanDerWaalsContact O-CD1 3.31Å; M351-L355 WeakPolarHBondContact O-CD1 3.31Å; M351-L355 VanDerWaalsContact O-CG 3.26Å; M351-L355 WeakPolarHBondContact O-CG 3.31Å; M351-M380 HydrophobicContact CE-CE 3.43Å; M351-M380 VanDerWaalsContact CE-CE 3.43Å; M351-M380 HydrophobicContact CE-SD 3.74Å
352	S	42.6	Very low	50.6	Low	49 Å²	49	63.9 Å²	63.9	34%	0.343	35%	0.348	S	S	.	.	H	α-helix	trans	-67.5	-32	172.1	57	0	0	0	0	114.7	K350 S367 S369	K350-S352 PolarHBondContact O-N 3.49Å; S352-S367 PolarHBondContact O-OG 2.8Å; S352-S369 WeakPolarHBondContact O-CB 3.44Å; S352-S369 PolarHBondContact O-OG 3.15Å
353	N	39.7	Very low	48.9	Very low	89 Å²	89	65 Å²	65	48%	0.476	37%	0.365	S	S	.	.	H	α-helix	trans	-97.4	-20.8	-172.1	-64.5	17.8	0	0	0	112.5	K350 M356	K350-N353 HydrophobicContact CB-CB 4.31Å; K350-N353 PolarHBondContact O-N 2.69Å; N353-M356 WeakPolarHBondContact O-CG 3.35Å
354	L	41.3	Very low	47.3	Very low	30 Å²	30	69.2 Å²	69.2	16%	0.157	38%	0.38	C	S	.	.	H	α-helix	trans	-88.2	-18.1	-174.5	-65.2	159.1	0	0	0	112.9	L344 D347 K350 M356	L344-L354 WeakPolarHBondContact O-CD1 3.43Å; L344-L354 VanDerWaalsContact O-CD2 3.32Å; L344-L354 WeakPolarHBondContact O-CD2 3.43Å; D347-L354 HydrophobicContact CB-CD1 3.73Å; D347-L354 WeakPolarHBondContact O-CD1 3.13Å; K350-L354 PolarHBondContact O-N 3.04Å; L354-M356 PolarHBondContact O-N 3.27Å
355	L	49.2	Very low	46.4	Very low	14 Å²	14	70.6 Å²	70.6	7%	0.073	39%	0.388	C	S	.	.			trans	-84	46.4	173.1	-51.5	167.6	0	0	0	110.8	V274 I345 M351 L368	V274-L355 HydrophobicContact CG1-CD2 3.84Å; I345-L355 HydrophobicContact CG2-CD2 4.47Å; M351-L355 VanDerWaalsContact O-CD1 3.31Å; M351-L355 WeakPolarHBondContact O-CD1 3.31Å; M351-L355 VanDerWaalsContact O-CG 3.26Å; M351-L355 WeakPolarHBondContact O-CG 3.31Å; L355-L368 HydrophobicContact CB-CB 3.79Å; L355-L368 HydrophobicContact CB-CD1 3.97Å; L355-L368 HydrophobicContact CB-CG 4.42Å; L355-L368 VanDerWaalsContact O-CB 3.23Å; L355-L368 WeakPolarHBondContact O-CB 3.25Å; L355-L368 VanDerWaalsContact O-CD1 3.25Å; L355-L368 WeakPolarHBondContact O-CD1 3.37Å; L355-L368 WeakPolarHBondContact O-CG 3.36Å; L355-L368 PolarHBondContact O-N 3.2Å
356	M	50.2	Low	45.8	Very low	61 Å²	61	72.7 Å²	72.7	30%	0.3	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.6	171.1	-78.3	-74.1	-157.1	0	0	109.1	W278 N353 L354 L365 E366 S367	W278-M356 WeakPolarHBondContact CZ3-O 3.24Å; N353-M356 WeakPolarHBondContact O-CG 3.35Å; L354-M356 PolarHBondContact O-N 3.27Å; M356-L365 HydrophobicContact CB-CD1 3.86Å; M356-L365 HydrophobicContact CG-CD1 4.44Å; M356-L365 HydrophobicContact SD-CB 4.2Å; M356-E366 WeakPolarHBondContact CA-O 3.39Å; M356-S367 WeakPolarHBondContact SD-CA 3.39Å; M356-S367 PolarHBondContact SD-N 3.48Å; M356-S367 VanDerWaalsContact SD-N 3.38Å
357	V	48.2	Very low	45.6	Very low	5 Å²	5	71.8 Å²	71.8	3%	0.03	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.1	-176.6	164.1	0	0	0	0	110.9	V274 K277 N359 E366 L368	V274-V357 HydrophobicContact CG1-CG2 4.1Å; K277-V357 HydrophobicContact CB-CG1 3.53Å; K277-V357 HydrophobicContact CB-CG2 4.44Å; K277-V357 HydrophobicContact CD-CG1 3.65Å; K277-V357 HydrophobicContact CG-CG1 4.18Å; V357-N359 PolarHBondContact O-N 3Å; V357-E366 PolarHBondContact N-O 3.27Å; V357-E366 PolarHBondContact O-N 2.91Å; V357-L368 HydrophobicContact CB-CD1 3.92Å; V357-L368 HydrophobicContact CB-CG 4.48Å; V357-L368 HydrophobicContact CG2-CD1 3.47Å; V357-L368 VanDerWaalsContact CG2-CD1 3.47Å
358	P	44.3	Very low	45.8	Very low	16 Å²	16	67.4 Å²	67.4	10%	0.104	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	123.5	176.2	24	-31.3	0	0	0	110.8	F281 L360 Q364 L365	F281-P358 HydrophobicContact CB-CG 3.99Å; F281-P358 HydrophobicContact CD1-CG 3.78Å; F281-P358 HydrophobicContact CD2-CG 3.69Å; F281-P358 HydrophobicContact CE1-CG 4.14Å; F281-P358 HydrophobicContact CE2-CG 4.04Å; F281-P358 HydrophobicContact CG-CG 3.56Å; F281-P358 HydrophobicContact CZ-CG 4.25Å; P358-L360 PolarHBondContact O-N 2.99Å; P358-Q364 WeakPolarHBondContact CA-O 3.46Å; P358-L365 HydrophobicContact CB-CD2 3.76Å; P358-L365 HydrophobicContact CG-CD2 4.21Å
359	N	51.6	Low	46	Very low	14 Å²	14	62.6 Å²	62.6	8%	0.075	34%	0.342	C	S	.	.			trans	-69	108.5	161.9	178.8	-32.5	0	0	0	107.6	V357 E361 T362 G363 Q364 E366	V357-N359 PolarHBondContact O-N 3Å; N359-E361 PolarHBondContact O-N 2.81Å; N359-E361 VanDerWaalsContact O-N 3.15Å; N359-E361 WeakPolarHBondContact OD1-CB 3.14Å; N359-E361 PolarHBondContact OD1-N 2.89Å; N359-T362 WeakPolarHBondContact CB-OG1 3.45Å; N359-T362 VanDerWaalsContact CG-OG1 3.28Å; N359-T362 PolarHBondContact O-N 2.75Å; N359-T362 PolarHBondContact OD1-N 3.12Å; N359-T362 VanDerWaalsContact OD1-N 3.13Å; N359-G363 WeakPolarHBondContact O-CA 3.37Å; N359-G363 PolarHBondContact O-N 3.25Å; N359-Q364 PolarHBondContact N-O 2.97Å; N359-E366 HydrophobicContact CB-CG 4.35Å; N359-E366 PolarHBondContact ND2-OE1 3.17Å
360	L	44.5	Very low	46.4	Very low	120 Å²	120	63.3 Å²	63.3	63%	0.628	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.6	-175.1	-61.2	173.1	0	0	0	113.8	P358	P358-L360 PolarHBondContact O-N 2.99Å
361	E	43.8	Very low	46.9	Very low	158 Å²	158	60 Å²	60	74%	0.738	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-36.2	176.9	-58.1	178.6	152.2	0	0	111.4	H200 N359	H200-E361 IonicContact CE1-OE2 3.39Å; H200-E361 IonicContact ND1-OE2 2.7Å; H200-E361 PolarHBondContact ND1-OE2 3.2Å; N359-E361 PolarHBondContact O-N 2.81Å; N359-E361 VanDerWaalsContact O-N 3.15Å; N359-E361 WeakPolarHBondContact OD1-CB 3.14Å; N359-E361 PolarHBondContact OD1-N 2.89Å
362	T	49	Very low	47.9	Very low	75 Å²	75	58 Å²	58	46%	0.46	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-17.9	-179.2	66.8	0	0	0	0	114.2	N359 Q364	N359-T362 WeakPolarHBondContact CB-OG1 3.45Å; N359-T362 VanDerWaalsContact CG-OG1 3.28Å; N359-T362 PolarHBondContact O-N 2.75Å; N359-T362 PolarHBondContact OD1-N 3.12Å; N359-T362 VanDerWaalsContact OD1-N 3.13Å; T362-Q364 PolarHBondContact O-N 2.99Å; T362-Q364 PolarHBondContact OG1-N 2.85Å
363	G	44.5	Very low	49.3	Very low	52 Å²	52	58.3 Å²	58.3	54%	0.536	32%	0.316	S	S	.	.			trans	75.3	2.1	-174.6	0	0	0	0	0	114.9	N359	N359-G363 WeakPolarHBondContact O-CA 3.37Å; N359-G363 PolarHBondContact O-N 3.25Å
364	Q	42.1	Very low	51	Low	137 Å²	137	58.3 Å²	58.3	64%	0.64	33%	0.328	S	S	*	.			trans	-98.8	152.8	-178.1	-63.9	-179.3	-17.1	0	0	111.6	P358 N359 T362	P358-Q364 WeakPolarHBondContact CA-O 3.46Å; N359-Q364 PolarHBondContact N-O 2.97Å; T362-Q364 PolarHBondContact O-N 2.99Å; T362-Q364 PolarHBondContact OG1-N 2.85Å
365	L	50.3	Low	52.8	Low	40 Å²	40	61.1 Å²	61.1	21%	0.209	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	138	169.2	-62.6	-167.3	0	0	0	111.7	V315 M356 P358	V315-L365 HydrophobicContact CB-CD1 3.91Å; V315-L365 HydrophobicContact CB-CG 4.45Å; V315-L365 HydrophobicContact CG1-CD1 3.62Å; V315-L365 HydrophobicContact CG2-CD1 4.14Å; V315-L365 HydrophobicContact CG2-CD2 4.26Å; V315-L365 HydrophobicContact CG2-CG 4.25Å; V315-L365 WeakPolarHBondContact O-CD1 3.34Å; M356-L365 HydrophobicContact CB-CD1 3.86Å; M356-L365 HydrophobicContact CG-CD1 4.44Å; M356-L365 HydrophobicContact SD-CB 4.2Å; P358-L365 HydrophobicContact CB-CD2 3.76Å; P358-L365 HydrophobicContact CG-CD2 4.21Å
366	E	53.3	Low	54	Low	53 Å²	53	60.8 Å²	60.8	25%	0.248	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.4	165.7	-68.9	176.1	-160.8	0	0	109.8	M356 V357 N359 L368 K371	M356-E366 WeakPolarHBondContact CA-O 3.39Å; V357-E366 PolarHBondContact N-O 3.27Å; V357-E366 PolarHBondContact O-N 2.91Å; N359-E366 HydrophobicContact CB-CG 4.35Å; N359-E366 PolarHBondContact ND2-OE1 3.17Å; E366-L368 PolarHBondContact O-N 2.93Å; E366-K371 IonicContact OE2-NZ 3.63Å; E366-K371 PolarHBondContact OE2-NZ 3.05Å
367	S	48.7	Very low	55.1	Low	24 Å²	24	61.3 Å²	61.3	17%	0.168	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.8	165.3	-179.5	0	0	0	0	109.8	S352 M356 S369	S352-S367 PolarHBondContact O-OG 2.8Å; M356-S367 WeakPolarHBondContact SD-CA 3.39Å; M356-S367 PolarHBondContact SD-N 3.48Å; M356-S367 VanDerWaalsContact SD-N 3.38Å; S367-S369 PolarHBondContact OG-N 3.07Å; S367-S369 PolarHBondContact OG-OG 3.01Å
368	L	51.5	Low	56.6	Low	19 Å²	19	63 Å²	63	10%	0.099	35%	0.352	C	S	.	.	S	Bend	trans	-84.7	-11.9	175.4	-59.1	157.4	0	0	0	112.2	V274 L355 V357 E366 N370 K371 F372	V274-L368 HydrophobicContact CB-CD1 3.96Å; V274-L368 HydrophobicContact CG1-CD1 3.49Å; V274-L368 VanDerWaalsContact CG1-CD1 3.49Å; V274-L368 HydrophobicContact CG2-CD1 3.42Å; V274-L368 VanDerWaalsContact CG2-CD1 3.42Å; V274-L368 HydrophobicContact CG2-CG 4.45Å; L355-L368 HydrophobicContact CB-CB 3.79Å; L355-L368 HydrophobicContact CB-CD1 3.97Å; L355-L368 HydrophobicContact CB-CG 4.42Å; L355-L368 VanDerWaalsContact O-CB 3.23Å; L355-L368 WeakPolarHBondContact O-CB 3.25Å; L355-L368 VanDerWaalsContact O-CD1 3.25Å; L355-L368 WeakPolarHBondContact O-CD1 3.37Å; L355-L368 WeakPolarHBondContact O-CG 3.36Å; L355-L368 PolarHBondContact O-N 3.2Å; V357-L368 HydrophobicContact CB-CD1 3.92Å; V357-L368 HydrophobicContact CB-CG 4.48Å; V357-L368 HydrophobicContact CG2-CD1 3.47Å; V357-L368 VanDerWaalsContact CG2-CD1 3.47Å; E366-L368 PolarHBondContact O-N 2.93Å; L368-N370 VanDerWaalsContact C-N 3.27Å; L368-N370 PolarHBondContact O-N 3.49Å; L368-K371 HydrophobicContact CD2-CD 3.92Å; L368-K371 VanDerWaalsContact O-CB 3.31Å; L368-K371 WeakPolarHBondContact O-CB 3.33Å; L368-K371 PolarHBondContact O-N 3.47Å; L368-F372 WeakPolarHBondContact O-CD2 3.45Å
369	S	42.8	Very low	58.4	Low	23 Å²	23	63.1 Å²	63.1	16%	0.161	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-66.3	-34.2	174.6	71.4	0	0	0	0	112.1	S352 S367 K371 F372	S352-S369 WeakPolarHBondContact O-CB 3.44Å; S352-S369 PolarHBondContact O-OG 3.15Å; S367-S369 PolarHBondContact OG-N 3.07Å; S367-S369 PolarHBondContact OG-OG 3.01Å; S369-K371 PolarHBondContact O-N 3.39Å; S369-F372 PolarHBondContact O-N 2.88Å
370	N	49	Very low	59.7	Low	143 Å²	143	63.1 Å²	63.1	77%	0.765	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-68.5	6.3	171.9	-64.1	-3.9	0	0	0	112.7	L368	L368-N370 VanDerWaalsContact C-N 3.27Å; L368-N370 PolarHBondContact O-N 3.49Å
371	K	56	Low	61.4	Low	57 Å²	57	62.2 Å²	62.2	25%	0.248	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-114.3	4.8	176.2	-50.1	-173.3	-172.3	179	0	113.5	Q270 E366 L368 S369	Q270-K371 PolarHBondContact NE2-O 2.84Å; E366-K371 IonicContact OE2-NZ 3.63Å; E366-K371 PolarHBondContact OE2-NZ 3.05Å; L368-K371 HydrophobicContact CD2-CD 3.92Å; L368-K371 VanDerWaalsContact O-CB 3.31Å; L368-K371 WeakPolarHBondContact O-CB 3.33Å; L368-K371 PolarHBondContact O-N 3.47Å; S369-K371 PolarHBondContact O-N 3.39Å
372	F	63	Low	63.5	Low	38 Å²	38	57.2 Å²	57.2	17%	0.167	32%	0.316	C	S	.	.			trans	-118.7	125.4	171.6	-65.9	-78.9	0	0	0	109.9	F267 Q270 L368 S369 E376 E377	F267-F372 HydrophobicContact CD2-CE1 4.26Å; Q270-F372 HydrophobicContact CB-CE1 4.01Å; Q270-F372 HydrophobicContact CB-CZ 3.73Å; Q270-F372 HydrophobicContact CG-CE1 4.44Å; Q270-F372 HydrophobicContact CG-CZ 4.49Å; L368-F372 WeakPolarHBondContact O-CD2 3.45Å; S369-F372 PolarHBondContact O-N 2.88Å; F372-E376 HydrophobicContact CD1-CB 4.16Å; F372-E377 HydrophobicContact CB-CG 4.41Å
373	T	71.6	Confident	65.3	Low	57 Å²	57	53.7 Å²	53.7	35%	0.35	30%	0.295	S	S	.	.			trans	-72.8	160.1	167.3	60.9	0	0	0	0	110.5	E375 E376 E377	T373-E375 PolarHBondContact O-N 2.96Å; T373-E375 VanDerWaalsContact O-N 3.16Å; T373-E376 WeakPolarHBondContact CB-OE2 3.42Å; T373-E376 WeakPolarHBondContact CG2-OE2 3.38Å; T373-E376 PolarHBondContact N-OE2 2.84Å; T373-E376 PolarHBondContact O-N 3.07Å; T373-E376 VanDerWaalsContact OG1-CG 3.25Å; T373-E376 WeakPolarHBondContact OG1-CG 3.4Å; T373-E376 PolarHBondContact OG1-N 3.33Å; T373-E376 PolarHBondContact OG1-OE2 2.97Å; T373-E377 PolarHBondContact O-N 3.31Å
374	A	76	Confident	67.2	Low	88 Å²	88	54.3 Å²	54.3	73%	0.727	29%	0.285	S	S	*	.	H	α-helix	trans	-58	-29.6	176.6	0	0	0	0	0	113.1	S378	A374-S378 PolarHBondContact O-N 3.32Å
375	E	78.8	Confident	69.4	Low	90 Å²	90	53.4 Å²	53.4	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-75.7	-39.4	175	175.3	50.3	-155.4	0	0	111.9	T373 E377 S378 Q379 R382	T373-E375 PolarHBondContact O-N 2.96Å; T373-E375 VanDerWaalsContact O-N 3.16Å; E375-E377 VanDerWaalsContact C-N 3.33Å; E375-E377 PolarHBondContact O-N 2.95Å; E375-S378 CarbonylContact O-C 3.54Å; E375-S378 WeakPolarHBondContact O-CA 3.34Å; E375-S378 VanDerWaalsContact O-CB 3.27Å; E375-S378 WeakPolarHBondContact O-CB 3.45Å; E375-S378 PolarHBondContact O-N 2.76Å; E375-Q379 VanDerWaalsContact O-CG 3.28Å; E375-Q379 WeakPolarHBondContact O-CG 3.45Å; E375-Q379 PolarHBondContact O-N 2.95Å; E375-Q379 WeakPolarHBondContact OE1-CG 3.15Å; E375-Q379 PolarHBondContact OE1-NE2 3.25Å; E375-R382 IonicContact OE1-CZ 3.01Å; E375-R382 IonicContact OE1-NH1 3.96Å; E375-R382 IonicContact OE1-NH2 3.92Å; E375-R382 PolarHBondContact OE1-NH2 2.92Å; E375-R382 IonicContact OE2-NH1 2.7Å; E375-R382 IonicContact OE2-NH2 3.16Å
376	E	74.3	Confident	71.5	Confident	7 Å²	7	51.9 Å²	51.9	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-64.9	-35.9	174.3	-70.4	157.7	154.8	0	0	111.9	S189 Q266 F372 T373 S378 Q379 M380	S189-E376 WeakPolarHBondContact CB-OE1 3.26Å; Q266-E376 VanDerWaalsContact NE2-CD 3.28Å; Q266-E376 PolarHBondContact NE2-OE1 2.98Å; Q266-E376 PolarHBondContact OE1-OE1 2.93Å; F372-E376 HydrophobicContact CD1-CB 4.16Å; T373-E376 WeakPolarHBondContact CB-OE2 3.42Å; T373-E376 WeakPolarHBondContact CG2-OE2 3.38Å; T373-E376 PolarHBondContact N-OE2 2.84Å; T373-E376 PolarHBondContact O-N 3.07Å; T373-E376 VanDerWaalsContact OG1-CG 3.25Å; T373-E376 WeakPolarHBondContact OG1-CG 3.4Å; T373-E376 PolarHBondContact OG1-N 3.33Å; T373-E376 PolarHBondContact OG1-OE2 2.97Å; E376-S378 VanDerWaalsContact C-N 3.3Å; E376-S378 PolarHBondContact O-N 2.98Å; E376-Q379 PolarHBondContact O-N 3.07Å; E376-M380 WeakPolarHBondContact O-CB 2.97Å; E376-M380 PolarHBondContact O-N 2.93Å
377	E	74.8	Confident	73.4	Confident	72 Å²	72	49.8 Å²	49.8	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-38.1	168.2	-77.2	-159.7	-175.4	0	0	112.7	F372 T373 E375 M380 K381	F372-E377 HydrophobicContact CB-CG 4.41Å; T373-E377 PolarHBondContact O-N 3.31Å; E375-E377 VanDerWaalsContact C-N 3.33Å; E375-E377 PolarHBondContact O-N 2.95Å; E377-M380 HydrophobicContact CB-CE 4.41Å; E377-M380 HydrophobicContact CG-CE 4.45Å; E377-K381 WeakPolarHBondContact O-CB 3.39Å; E377-K381 WeakPolarHBondContact O-CD 3.5Å; E377-K381 VanDerWaalsContact O-CG 3.24Å; E377-K381 WeakPolarHBondContact O-CG 3.21Å; E377-K381 PolarHBondContact O-N 3Å; E377-K381 IonicContact OE2-NZ 2.71Å; E377-K381 PolarHBondContact OE2-NZ 3.34Å
378	S	79.6	Confident	75.4	Confident	41 Å²	41	49.7 Å²	49.7	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-43.2	178.4	-155.4	0	0	0	0	111	A374 E375 E376 M380 K381 R382	A374-S378 PolarHBondContact O-N 3.32Å; E375-S378 CarbonylContact O-C 3.54Å; E375-S378 WeakPolarHBondContact O-CA 3.34Å; E375-S378 VanDerWaalsContact O-CB 3.27Å; E375-S378 WeakPolarHBondContact O-CB 3.45Å; E375-S378 PolarHBondContact O-N 2.76Å; E376-S378 VanDerWaalsContact C-N 3.3Å; E376-S378 PolarHBondContact O-N 2.98Å; S378-M380 PolarHBondContact O-N 3.39Å; S378-K381 PolarHBondContact O-N 3.38Å; S378-R382 WeakPolarHBondContact O-CG 3.46Å; S378-R382 PolarHBondContact O-N 3.03Å; S378-R382 PolarHBondContact OG-NH1 3.48Å
379	Q	80.7	Confident	77.5	Confident	17 Å²	17	51.5 Å²	51.5	8%	0.079	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-45.6	173.4	-69.5	170.6	4.3	0	0	111.6	E229 E375 E376 R382 M383	E229-Q379 WeakPolarHBondContact OE1-CG 3.05Å; E375-Q379 VanDerWaalsContact O-CG 3.28Å; E375-Q379 WeakPolarHBondContact O-CG 3.45Å; E375-Q379 PolarHBondContact O-N 2.95Å; E375-Q379 WeakPolarHBondContact OE1-CG 3.15Å; E375-Q379 PolarHBondContact OE1-NE2 3.25Å; E376-Q379 PolarHBondContact O-N 3.07Å; Q379-R382 PolarHBondContact O-N 3.11Å; Q379-M383 PolarHBondContact O-N 2.85Å
380	M	79.9	Confident	80.1	Confident	14 Å²	14	50.4 Å²	50.4	7%	0.069	26%	0.263	C	S	.	.	H	α-helix	trans	-59.2	-51.2	172.4	167.9	-174	70.7	0	0	111.8	F267 M351 E376 E377 S378 R382 M383 L384	F267-M380 HydrophobicContact CD1-CB 4.24Å; F267-M380 HydrophobicContact CD1-CG 4.21Å; F267-M380 HydrophobicContact CD2-CB 3.99Å; F267-M380 HydrophobicContact CD2-CG 3.93Å; F267-M380 HydrophobicContact CD2-SD 3.97Å; F267-M380 HydrophobicContact CE1-CB 4.37Å; F267-M380 HydrophobicContact CE1-CG 3.84Å; F267-M380 HydrophobicContact CE2-CB 4.16Å; F267-M380 HydrophobicContact CE2-CG 3.57Å; F267-M380 HydrophobicContact CE2-SD 3.36Å; F267-M380 WeakPolarHBondContact CE2-SD 3.42Å; F267-M380 HydrophobicContact CG-CB 4.05Å; F267-M380 HydrophobicContact CG-CG 4.26Å; F267-M380 HydrophobicContact CZ-CB 4.36Å; F267-M380 HydrophobicContact CZ-CG 3.53Å; F267-M380 HydrophobicContact CZ-SD 3.77Å; M351-M380 HydrophobicContact CE-CE 3.43Å; M351-M380 VanDerWaalsContact CE-CE 3.43Å; M351-M380 HydrophobicContact CE-SD 3.74Å; E376-M380 WeakPolarHBondContact O-CB 2.97Å; E376-M380 PolarHBondContact O-N 2.93Å; E377-M380 HydrophobicContact CB-CE 4.41Å; E377-M380 HydrophobicContact CG-CE 4.45Å; S378-M380 PolarHBondContact O-N 3.39Å; M380-R382 VanDerWaalsContact C-N 3.3Å; M380-R382 PolarHBondContact O-N 3.01Å; M380-M383 WeakPolarHBondContact O-CB 3.33Å; M380-M383 PolarHBondContact O-N 3.34Å; M380-L384 HydrophobicContact CG-CD1 4.38Å; M380-L384 WeakPolarHBondContact O-CG 3.43Å; M380-L384 PolarHBondContact O-N 2.97Å; M380-L384 VanDerWaalsContact O-N 3.08Å
381	K	80.7	Confident	82.3	Confident	101 Å²	101	43.6 Å²	43.6	44%	0.439	23%	0.226	S	C	.	.	H	α-helix	trans	-58.6	-41.1	-179.9	-73.3	161.9	-168.4	160.1	0	111.4	E377 S378 L384 Q385	E377-K381 WeakPolarHBondContact O-CB 3.39Å; E377-K381 WeakPolarHBondContact O-CD 3.5Å; E377-K381 VanDerWaalsContact O-CG 3.24Å; E377-K381 WeakPolarHBondContact O-CG 3.21Å; E377-K381 PolarHBondContact O-N 3Å; E377-K381 IonicContact OE2-NZ 2.71Å; E377-K381 PolarHBondContact OE2-NZ 3.34Å; S378-K381 PolarHBondContact O-N 3.38Å; K381-L384 PolarHBondContact O-N 3.16Å; K381-Q385 VanDerWaalsContact O-CG 3.28Å; K381-Q385 WeakPolarHBondContact O-CG 3.26Å; K381-Q385 PolarHBondContact O-N 2.87Å
382	R	87.3	Confident	84.3	Confident	54 Å²	54	45.2 Å²	45.2	20%	0.204	23%	0.233	C	C	.	.	H	α-helix	trans	-64.2	-44.1	175.2	-70.1	-177.9	-59.8	-117.2	17.1	112.4	E229 E375 S378 Q379 M380 L384 Q385 R386	E229-R382 VanDerWaalsContact CD-NH2 3.33Å; E229-R382 IonicContact OE1-CZ 3.35Å; E229-R382 VanDerWaalsContact OE1-CZ 3.26Å; E229-R382 IonicContact OE1-NE 2.77Å; E229-R382 PolarHBondContact OE1-NE 2.73Å; E229-R382 IonicContact OE1-NH2 2.75Å; E229-R382 PolarHBondContact OE1-NH2 3.47Å; E229-R382 IonicContact OE2-NE 2.69Å; E229-R382 PolarHBondContact OE2-NE 3.1Å; E375-R382 IonicContact OE1-CZ 3.01Å; E375-R382 IonicContact OE1-NH1 3.96Å; E375-R382 IonicContact OE1-NH2 3.92Å; E375-R382 PolarHBondContact OE1-NH2 2.92Å; E375-R382 IonicContact OE2-NH1 2.7Å; E375-R382 IonicContact OE2-NH2 3.16Å; S378-R382 WeakPolarHBondContact O-CG 3.46Å; S378-R382 PolarHBondContact O-N 3.03Å; S378-R382 PolarHBondContact OG-NH1 3.48Å; Q379-R382 PolarHBondContact O-N 3.11Å; M380-R382 VanDerWaalsContact C-N 3.3Å; M380-R382 PolarHBondContact O-N 3.01Å; R382-L384 VanDerWaalsContact C-N 3.32Å; R382-L384 PolarHBondContact O-N 3.49Å; R382-Q385 PolarHBondContact O-N 3.44Å; R382-R386 WeakPolarHBondContact O-CG 3.42Å; R382-R386 PolarHBondContact O-N 3.08Å
383	M	87.1	Confident	85.9	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-46.6	174.4	-175.2	-171.3	-74.8	0	0	111.6	L262 G263 F267 L268 Q379 M380 R386 V387	L262-M383 HydrophobicContact CB-CG 4.28Å; L262-M383 WeakPolarHBondContact O-CA 3.38Å; G263-M383 VanDerWaalsContact CA-CE 3.47Å; F267-M383 HydrophobicContact CD1-CE 4.25Å; F267-M383 HydrophobicContact CD1-SD 3.88Å; F267-M383 HydrophobicContact CE1-SD 4.15Å; L268-M383 HydrophobicContact CD1-CE 4.1Å; L268-M383 HydrophobicContact CD1-SD 4.38Å; L268-M383 HydrophobicContact CD2-SD 3.96Å; L268-M383 HydrophobicContact CG-CE 4.07Å; L268-M383 HydrophobicContact CG-SD 4.16Å; Q379-M383 PolarHBondContact O-N 2.85Å; M380-M383 WeakPolarHBondContact O-CB 3.33Å; M380-M383 PolarHBondContact O-N 3.34Å; M383-R386 PolarHBondContact O-N 2.98Å; M383-V387 WeakPolarHBondContact O-CG2 3.44Å; M383-V387 PolarHBondContact O-N 3Å
384	L	83.5	Confident	87	Confident	64 Å²	64	43.1 Å²	43.1	34%	0.335	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-39.2	178.3	-60.9	179	0	0	0	112.6	M380 K381 R382 V387 D388 L417	M380-L384 HydrophobicContact CG-CD1 4.38Å; M380-L384 WeakPolarHBondContact O-CG 3.43Å; M380-L384 PolarHBondContact O-N 2.97Å; M380-L384 VanDerWaalsContact O-N 3.08Å; K381-L384 PolarHBondContact O-N 3.16Å; R382-L384 VanDerWaalsContact C-N 3.32Å; R382-L384 PolarHBondContact O-N 3.49Å; L384-V387 PolarHBondContact O-N 3.15Å; L384-D388 PolarHBondContact O-N 3.39Å; L384-L417 HydrophobicContact CD2-CD1 3.93Å; L384-L417 HydrophobicContact CD2-CD2 3.55Å; L384-L417 HydrophobicContact CD2-CG 4.24Å
385	Q	88	Confident	87.8	Confident	118 Å²	118	43.4 Å²	43.4	55%	0.551	21%	0.208	S	C	*	.	H	α-helix	trans	-61.5	-43	174.9	-74.6	167.7	-12.9	0	0	112.1	K381 R382 V387 D388 I389	K381-Q385 VanDerWaalsContact O-CG 3.28Å; K381-Q385 WeakPolarHBondContact O-CG 3.26Å; K381-Q385 PolarHBondContact O-N 2.87Å; R382-Q385 PolarHBondContact O-N 3.44Å; Q385-V387 PolarHBondContact O-N 3.07Å; Q385-D388 WeakPolarHBondContact O-CB 3.26Å; Q385-D388 PolarHBondContact O-N 3.47Å; Q385-I389 VanDerWaalsContact O-CG1 3.28Å; Q385-I389 WeakPolarHBondContact O-CG1 3.43Å; Q385-I389 PolarHBondContact O-N 3.11Å
386	R	95.2	Very high	88.6	Confident	9 Å²	9	45.4 Å²	45.4	3%	0.034	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-42.3	176.9	-66.1	-175.9	-173.9	104.2	7.3	112.2	E229 C232 D233 M236 L262 R382 M383 D388 I389 L390	E229-R386 PolarHBondContact O-NH2 3.45Å; E229-R386 IonicContact OE2-CZ 3.39Å; E229-R386 IonicContact OE2-NH1 3.7Å; E229-R386 PolarHBondContact OE2-NH1 3.28Å; E229-R386 IonicContact OE2-NH2 3.1Å; E229-R386 PolarHBondContact OE2-NH2 3.34Å; C232-R386 VanDerWaalsContact CB-CZ 3.5Å; D233-R386 IonicContact OD1-CZ 3.2Å; D233-R386 IonicContact OD1-NE 3.24Å; D233-R386 PolarHBondContact OD1-NE 3.45Å; D233-R386 IonicContact OD1-NH2 2.76Å; D233-R386 PolarHBondContact OD1-NH2 3Å; D233-R386 IonicContact OD2-NH2 3.97Å; M236-R386 HydrophobicContact CG-CB 4.33Å; M236-R386 HydrophobicContact CG-CG 4.49Å; M236-R386 HydrophobicContact SD-CB 3.78Å; M236-R386 HydrophobicContact SD-CG 3.66Å; L262-R386 HydrophobicContact CB-CB 4.39Å; L262-R386 HydrophobicContact CD2-CB 4.27Å; L262-R386 WeakPolarHBondContact O-CD 3.43Å; L262-R386 PolarHBondContact O-NH1 3.07Å; R382-R386 WeakPolarHBondContact O-CG 3.42Å; R382-R386 PolarHBondContact O-N 3.08Å; M383-R386 PolarHBondContact O-N 2.98Å; R386-D388 VanDerWaalsContact C-N 3.34Å; R386-D388 PolarHBondContact O-N 3Å; R386-I389 PolarHBondContact O-N 3.44Å; R386-L390 VanDerWaalsContact O-CG 3.29Å; R386-L390 WeakPolarHBondContact O-CG 3.33Å; R386-L390 PolarHBondContact O-N 3.44Å
387	V	92.3	Very high	89.5	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-62.9	-41.5	176	180	0	0	0	0	111.2	M259 L262 M383 L384 Q385 L390 A391 M421	M259-V387 HydrophobicContact CE-CG1 4.05Å; M259-V387 HydrophobicContact CE-CG2 3.96Å; M259-V387 HydrophobicContact SD-CG2 3.53Å; M259-V387 VanDerWaalsContact SD-CG2 3.53Å; L262-V387 HydrophobicContact CD1-CG2 3.64Å; M383-V387 WeakPolarHBondContact O-CG2 3.44Å; M383-V387 PolarHBondContact O-N 3Å; L384-V387 PolarHBondContact O-N 3.15Å; Q385-V387 PolarHBondContact O-N 3.07Å; V387-L390 PolarHBondContact O-N 2.95Å; V387-A391 WeakPolarHBondContact O-CB 3.3Å; V387-A391 PolarHBondContact O-N 2.93Å; V387-M421 HydrophobicContact CG1-CG 3.56Å; V387-M421 HydrophobicContact CG1-SD 3.79Å
388	D	91	Very high	90.4	Very high	22 Å²	22	46.1 Å²	46.1	12%	0.118	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-41	176.5	-174.2	75.5	0	0	0	112.9	L384 Q385 R386 A391 K392 K424 F425	L384-D388 PolarHBondContact O-N 3.39Å; Q385-D388 WeakPolarHBondContact O-CB 3.26Å; Q385-D388 PolarHBondContact O-N 3.47Å; R386-D388 VanDerWaalsContact C-N 3.34Å; R386-D388 PolarHBondContact O-N 3Å; D388-A391 PolarHBondContact O-N 2.72Å; D388-K392 WeakPolarHBondContact O-CG 3.42Å; D388-K392 PolarHBondContact O-N 2.95Å; D388-K392 WeakPolarHBondContact OD2-CE 3.44Å; D388-K392 IonicContact OD2-NZ 3.73Å; D388-K392 PolarHBondContact OD2-NZ 3.5Å; D388-K424 WeakPolarHBondContact OD1-CE 3.24Å; D388-K424 IonicContact OD1-NZ 3.7Å; D388-K424 PolarHBondContact OD1-NZ 3.24Å; D388-K424 IonicContact OD2-NZ 2.94Å; D388-F425 WeakPolarHBondContact OD1-CZ 3.18Å
389	I	96.6	Very high	91.1	Very high	58 Å²	58	44.3 Å²	44.3	30%	0.297	22%	0.221	S	C	.	.	H	α-helix	trans	-61.9	-46.8	174.5	-70.6	162.7	0	0	0	110.7	M236 I240 Q385 R386 A391 K392 H393	M236-I389 HydrophobicContact CE-CD1 4.43Å; M236-I389 HydrophobicContact CE-CG2 4.49Å; M236-I389 HydrophobicContact SD-CB 4.06Å; M236-I389 HydrophobicContact SD-CD1 3.96Å; M236-I389 HydrophobicContact SD-CG2 3.85Å; I240-I389 HydrophobicContact CD1-CG2 4.1Å; Q385-I389 VanDerWaalsContact O-CG1 3.28Å; Q385-I389 WeakPolarHBondContact O-CG1 3.43Å; Q385-I389 PolarHBondContact O-N 3.11Å; R386-I389 PolarHBondContact O-N 3.44Å; I389-A391 PolarHBondContact O-N 3.48Å; I389-K392 PolarHBondContact O-N 3.45Å; I389-H393 PolarHBondContact O-N 3.27Å
390	L	97.2	Very high	91.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-43.9	177.5	-68	171	0	0	0	111.5	M236 F239 I240 I243 I257 L262 R386 V387 K392 H393 A394 L401	M236-L390 HydrophobicContact CG-CD1 4.39Å; M236-L390 HydrophobicContact CG-CD2 3.99Å; M236-L390 HydrophobicContact CG-CG 4.06Å; F239-L390 HydrophobicContact CB-CD1 4.23Å; F239-L390 HydrophobicContact CB-CD2 3.58Å; F239-L390 HydrophobicContact CD2-CD1 4.06Å; I240-L390 HydrophobicContact CG1-CD2 3.67Å; I243-L390 HydrophobicContact CD1-CB 4.39Å; I243-L390 HydrophobicContact CD1-CD2 3.89Å; I257-L390 HydrophobicContact CD1-CD1 4.21Å; I257-L390 HydrophobicContact CG2-CD1 4.38Å; L262-L390 HydrophobicContact CD1-CD1 3.74Å; L262-L390 HydrophobicContact CD2-CD1 3.9Å; L262-L390 HydrophobicContact CG-CD1 4.5Å; R386-L390 VanDerWaalsContact O-CG 3.29Å; R386-L390 WeakPolarHBondContact O-CG 3.33Å; R386-L390 PolarHBondContact O-N 3.44Å; V387-L390 PolarHBondContact O-N 2.95Å; L390-K392 PolarHBondContact O-N 3.5Å; L390-H393 PolarHBondContact O-N 2.97Å; L390-A394 WeakPolarHBondContact O-CB 3.48Å; L390-A394 PolarHBondContact O-N 3.05Å; L390-L401 HydrophobicContact CB-CD1 3.93Å
391	A	95.5	Very high	92.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.1	-40	178.5	0	0	0	0	0	112.7	V387 D388 I389 A394 L395 L401 F425 I432	V387-A391 WeakPolarHBondContact O-CB 3.3Å; V387-A391 PolarHBondContact O-N 2.93Å; D388-A391 PolarHBondContact O-N 2.72Å; I389-A391 PolarHBondContact O-N 3.48Å; A391-A394 PolarHBondContact O-N 3.46Å; A391-L395 PolarHBondContact O-N 3.25Å; A391-L395 VanDerWaalsContact O-N 3.1Å; A391-L401 HydrophobicContact CB-CD1 4.43Å; A391-F425 HydrophobicContact CB-CD1 4.38Å; A391-F425 HydrophobicContact CB-CD2 3.63Å; A391-F425 HydrophobicContact CB-CE1 4.15Å; A391-F425 HydrophobicContact CB-CE2 3.37Å; A391-F425 HydrophobicContact CB-CG 4.15Å; A391-F425 HydrophobicContact CB-CZ 3.65Å; A391-I432 HydrophobicContact CB-CD1 3.8Å
392	K	96.2	Very high	93.2	Very high	90 Å²	90	39 Å²	39	39%	0.391	20%	0.196	S	C	.	.	H	α-helix	trans	-61.6	-52.1	171.9	-75.2	163.8	172.7	162.7	0	111.9	D388 I389 L390 A394 L395 E396 F425	D388-K392 WeakPolarHBondContact O-CG 3.42Å; D388-K392 PolarHBondContact O-N 2.95Å; D388-K392 WeakPolarHBondContact OD2-CE 3.44Å; D388-K392 IonicContact OD2-NZ 3.73Å; D388-K392 PolarHBondContact OD2-NZ 3.5Å; I389-K392 PolarHBondContact O-N 3.45Å; L390-K392 PolarHBondContact O-N 3.5Å; K392-A394 VanDerWaalsContact C-N 3.26Å; K392-A394 PolarHBondContact O-N 2.92Å; K392-L395 WeakPolarHBondContact O-CB 3.3Å; K392-L395 PolarHBondContact O-N 3.31Å; K392-L395 VanDerWaalsContact O-N 3.14Å; K392-E396 VanDerWaalsContact O-CG 3.3Å; K392-E396 WeakPolarHBondContact O-CG 3.45Å; K392-E396 PolarHBondContact O-N 2.93Å; K392-F425 HydrophobicContact CG-CE1 3.96Å; K392-F425 HydrophobicContact CG-CZ 4.11Å
393	H	96.6	Very high	93.7	Very high	51 Å²	51	36.5 Å²	36.5	24%	0.236	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-35.2	179.2	-79.4	-40.8	0	0	0	112.9	I243 I389 L390 E396 N397	I243-H393 HydrophobicContact CD1-CB 4.44Å; I243-H393 HydrophobicContact CG2-CB 4.44Å; I389-H393 PolarHBondContact O-N 3.27Å; L390-H393 PolarHBondContact O-N 2.97Å; H393-E396 IonicContact CE1-OE2 3.63Å; H393-E396 IonicContact CG-OE2 3.11Å; H393-E396 IonicContact ND1-OE2 3.76Å; H393-E396 PolarHBondContact ND1-OE2 3.25Å; H393-N397 WeakPolarHBondContact O-CB 3.16Å; H393-N397 PolarHBondContact O-N 3.43Å; H393-N397 PolarHBondContact O-ND2 3.21Å
394	A	95.5	Very high	94	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-47.5	174.3	0	0	0	0	0	111.8	I243 L390 A391 K392 E396 N397 G398 V399 L401	I243-A394 HydrophobicContact CD1-CB 4.47Å; I243-A394 HydrophobicContact CG2-CB 4.41Å; L390-A394 WeakPolarHBondContact O-CB 3.48Å; L390-A394 PolarHBondContact O-N 3.05Å; A391-A394 PolarHBondContact O-N 3.46Å; K392-A394 VanDerWaalsContact C-N 3.26Å; K392-A394 PolarHBondContact O-N 2.92Å; A394-E396 PolarHBondContact O-N 2.97Å; A394-N397 PolarHBondContact O-N 3.12Å; A394-G398 PolarHBondContact O-N 3.35Å; A394-G398 VanDerWaalsContact O-N 3.09Å; A394-V399 CarbonylContact C-O 3.53Å; A394-V399 WeakPolarHBondContact CB-O 3.32Å; A394-V399 PolarHBondContact O-N 3.44Å; A394-V399 VanDerWaalsContact O-O 3.08Å; A394-L401 HydrophobicContact CB-CD1 3.99Å; A394-L401 HydrophobicContact CB-CD2 3.66Å; A394-L401 HydrophobicContact CB-CG 3.44Å; A394-L401 VanDerWaalsContact CB-CG 3.44Å
395	L	93.8	Very high	94.5	Very high	94 Å²	94	34.7 Å²	34.7	49%	0.492	18%	0.179	S	C	.	.	H	α-helix	trans	-58.5	-47.7	174.9	-179.5	64.9	0	0	0	112	A391 K392 N397 G398 V431	A391-L395 PolarHBondContact O-N 3.25Å; A391-L395 VanDerWaalsContact O-N 3.1Å; K392-L395 WeakPolarHBondContact O-CB 3.3Å; K392-L395 PolarHBondContact O-N 3.31Å; K392-L395 VanDerWaalsContact O-N 3.14Å; L395-N397 VanDerWaalsContact C-N 3.3Å; L395-N397 PolarHBondContact O-N 2.76Å; L395-G398 PolarHBondContact O-N 3.49Å; L395-V431 HydrophobicContact CD1-CG2 4.14Å
396	E	94.1	Very high	94.8	Very high	132 Å²	132	29 Å²	29	62%	0.617	15%	0.153	S	C	*	.	H	α-helix	trans	-59.2	-36.3	178	-72	164.3	-175.3	0	0	113.2	K392 H393 A394	K392-E396 VanDerWaalsContact O-CG 3.3Å; K392-E396 WeakPolarHBondContact O-CG 3.45Å; K392-E396 PolarHBondContact O-N 2.93Å; H393-E396 IonicContact CE1-OE2 3.63Å; H393-E396 IonicContact CG-OE2 3.11Å; H393-E396 IonicContact ND1-OE2 3.76Å; H393-E396 PolarHBondContact ND1-OE2 3.25Å; A394-E396 PolarHBondContact O-N 2.97Å
397	N	93.8	Very high	94.7	Very high	57 Å²	57	28.6 Å²	28.6	31%	0.305	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	3.9	-178.7	-71.3	-99.6	0	0	0	113	I243 H393 A394 L395 V399	I243-N397 HydrophobicContact CG2-CB 4.02Å; H393-N397 WeakPolarHBondContact O-CB 3.16Å; H393-N397 PolarHBondContact O-N 3.43Å; H393-N397 PolarHBondContact O-ND2 3.21Å; A394-N397 PolarHBondContact O-N 3.12Å; L395-N397 VanDerWaalsContact C-N 3.3Å; L395-N397 PolarHBondContact O-N 2.76Å; N397-V399 HydrophobicContact CB-CG2 4.22Å; N397-V399 PolarHBondContact O-N 3.07Å
398	G	92.7	Very high	94.8	Very high	38 Å²	38	28.4 Å²	28.4	39%	0.392	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	21.2	-178	0	0	0	0	0	114.6	A394 L395	A394-G398 PolarHBondContact O-N 3.35Å; A394-G398 VanDerWaalsContact O-N 3.09Å; L395-G398 PolarHBondContact O-N 3.49Å
399	V	94.8	Very high	94.9	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-102.9	148.7	-175.9	172.4	0	0	0	0	110.4	I243 G247 G253 A394 N397	I243-V399 HydrophobicContact CG2-CB 4.27Å; I243-V399 HydrophobicContact CG2-CG1 4.45Å; G247-V399 VanDerWaalsContact CA-CG2 3.47Å; G253-V399 WeakPolarHBondContact O-CA 3.36Å; A394-V399 CarbonylContact C-O 3.53Å; A394-V399 WeakPolarHBondContact CB-O 3.32Å; A394-V399 PolarHBondContact O-N 3.44Å; A394-V399 VanDerWaalsContact O-O 3.08Å; N397-V399 HydrophobicContact CB-CG2 4.22Å; N397-V399 PolarHBondContact O-N 3.07Å
400	R	95.6	Very high	94.8	Very high	14 Å²	14	25 Å²	25	5%	0.053	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	139.2	171.4	-66.7	175.2	-176.8	106.9	2.3	111.9	D252 G253 F254 S255 P430 V431 F433 Y547	D252-R400 VanDerWaalsContact CG-CZ 3.48Å; D252-R400 PolarHBondContact O-NH1 3.28Å; D252-R400 IonicContact OD1-CZ 2.99Å; D252-R400 VanDerWaalsContact OD1-CZ 3.3Å; D252-R400 IonicContact OD1-NH1 3.65Å; D252-R400 PolarHBondContact OD1-NH1 3.25Å; D252-R400 IonicContact OD1-NH2 2.82Å; D252-R400 PolarHBondContact OD1-NH2 3.04Å; D252-R400 IonicContact OD2-CZ 2.62Å; D252-R400 IonicContact OD2-NH1 3Å; D252-R400 PolarHBondContact OD2-NH1 3.14Å; D252-R400 IonicContact OD2-NH2 3.86Å; D252-R400 PolarHBondContact OD2-NH2 3.3Å; G253-R400 PolarHBondContact O-N 2.9Å; F254-R400 CarbonylContact C-O 3.43Å; F254-R400 VanDerWaalsContact CA-O 3.28Å; F254-R400 WeakPolarHBondContact CA-O 3.3Å; F254-R400 HydrophobicContact CD1-CB 3.42Å; F254-R400 VanDerWaalsContact CD1-CB 3.42Å; F254-R400 HydrophobicContact CD1-CG 4.4Å; F254-R400 HydrophobicContact CE1-CB 3.62Å; F254-R400 VanDerWaalsContact CE1-CD 3.42Å; F254-R400 HydrophobicContact CE1-CG 4.2Å; F254-R400 HydrophobicContact CG-CB 3.94Å; F254-R400 HydrophobicContact CZ-CB 4.29Å; F254-R400 HydrophobicContact CZ-CG 4.47Å; S255-R400 PolarHBondContact N-O 3.4Å; R400-P430 PolarHBondContact NE-O 3.2Å; R400-V431 CarbonylContact C-O 3.57Å; R400-V431 VanDerWaalsContact CA-O 3.22Å; R400-V431 WeakPolarHBondContact CA-O 3.24Å; R400-V431 WeakPolarHBondContact CB-O 3.25Å; R400-F433 HydrophobicContact CB-CD2 4.43Å; R400-F433 HydrophobicContact CB-CE2 4.36Å; R400-F433 HydrophobicContact CG-CE2 4.19Å; R400-Y547 PolarHBondContact NH2-OH 3.14Å; R400-Y547 VanDerWaalsContact NH2-OH 3.12Å
401	L	96	Very high	94.7	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	135.9	169.8	-63.1	-171.9	0	0	0	111.9	I243 S255 I257 L390 A391 A394 V431 I432 F433	I243-L401 HydrophobicContact CD1-CD2 3.77Å; I243-L401 HydrophobicContact CG1-CD2 3.82Å; S255-L401 WeakPolarHBondContact O-CA 3.38Å; I257-L401 HydrophobicContact CD1-CD1 4.3Å; I257-L401 HydrophobicContact CG2-CD2 4.5Å; L390-L401 HydrophobicContact CB-CD1 3.93Å; A391-L401 HydrophobicContact CB-CD1 4.43Å; A394-L401 HydrophobicContact CB-CD1 3.99Å; A394-L401 HydrophobicContact CB-CD2 3.66Å; A394-L401 HydrophobicContact CB-CG 3.44Å; A394-L401 VanDerWaalsContact CB-CG 3.44Å; L401-V431 PolarHBondContact N-O 2.87Å; L401-I432 HydrophobicContact CB-CD1 3.84Å; L401-I432 HydrophobicContact CD1-CD1 4.02Å; L401-I432 HydrophobicContact CG-CD1 4.15Å; L401-I432 CarbonylContact O-C 3.55Å; L401-F433 PolarHBondContact O-N 3.04Å
402	M	95.3	Very high	94.7	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	102.4	176.1	-169.4	160.7	-82.8	0	0	108	V165 F254 S255 A256 I257 D404 F433 K464 M518	V165-M402 HydrophobicContact CG1-SD 4.33Å; F254-M402 HydrophobicContact CD1-CE 3.55Å; F254-M402 HydrophobicContact CE1-CE 3.58Å; F254-M402 HydrophobicContact CG-CE 4.42Å; F254-M402 HydrophobicContact CZ-CE 4.47Å; S255-M402 PolarHBondContact O-N 3.39Å; A256-M402 WeakPolarHBondContact CA-O 3.26Å; I257-M402 PolarHBondContact N-O 3.37Å; M402-D404 PolarHBondContact O-N 2.77Å; M402-F433 HydrophobicContact CE-CB 4.46Å; M402-K464 HydrophobicContact CE-CB 4.32Å; M402-K464 HydrophobicContact CE-CD 3.93Å; M402-K464 HydrophobicContact CG-CD 3.65Å; M402-K464 HydrophobicContact SD-CD 3.26Å; M402-K464 WeakPolarHBondContact SD-CD 3.44Å; M402-K464 HydrophobicContact SD-CG 4.48Å; M402-M518 HydrophobicContact CE-CB 4.11Å; M402-M518 HydrophobicContact CE-CE 4.15Å; M402-M518 HydrophobicContact CE-CG 3.9Å
403	V	96.1	Very high	94.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.4	174	-170.9	0	0	0	0	107.5	I257 M259 I414 T418 I432 F433 T435	I257-V403 HydrophobicContact CD1-CG2 4.16Å; I257-V403 HydrophobicContact CG1-CG2 4.13Å; M259-V403 HydrophobicContact CE-CG1 3.81Å; M259-V403 HydrophobicContact CE-CG2 4.26Å; M259-V403 HydrophobicContact CG-CG1 3.95Å; V403-I414 HydrophobicContact CG1-CG2 3.95Å; V403-T418 HydrophobicContact CB-CG2 3.83Å; V403-T418 WeakPolarHBondContact CB-OG1 3.46Å; V403-T418 WeakPolarHBondContact CG1-OG1 3.47Å; V403-T418 HydrophobicContact CG2-CG2 3.58Å; V403-I432 HydrophobicContact CG2-CG2 4.36Å; V403-F433 PolarHBondContact N-O 3.42Å; V403-T435 VanDerWaalsContact O-CB 3.28Å; V403-T435 WeakPolarHBondContact O-CB 3.49Å; V403-T435 PolarHBondContact O-N 3.06Å; V403-T435 PolarHBondContact O-OG1 2.9Å
404	D	93.9	Very high	94.3	Very high	20 Å²	20	20.1 Å²	20.1	11%	0.107	11%	0.112	C	C	.	.			trans	-81.6	135.8	-173.5	-134.8	40.6	0	0	0	110	I257 K258 M402 K464	I257-D404 WeakPolarHBondContact O-CB 3.47Å; I257-D404 PolarHBondContact O-N 2.95Å; K258-D404 HydrophobicContact CG-CB 3.99Å; K258-D404 IonicContact NZ-OD2 3.62Å; K258-D404 PolarHBondContact NZ-OD2 3.08Å; M402-D404 PolarHBondContact O-N 2.77Å; D404-K464 IonicContact OD1-NZ 3.23Å; D404-K464 PolarHBondContact OD1-NZ 3.06Å
405	A	94.5	Very high	94.3	Very high	7 Å²	7	20.9 Å²	20.9	6%	0.058	12%	0.118	C	C	.	.			trans	-75	148.1	178.4	0	0	0	0	0	111.9	Q411 T435 Q437	A405-Q411 VanDerWaalsContact CB-OE1 3.25Å; A405-T435 HydrophobicContact CB-CG2 3.57Å; A405-Q437 VanDerWaalsContact CB-CD 3.49Å; A405-Q437 HydrophobicContact CB-CG 3.45Å; A405-Q437 VanDerWaalsContact CB-CG 3.45Å; A405-Q437 VanDerWaalsContact CB-NE2 3.27Å
406	E	93.9	Very high	94.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.			trans	-123.6	-153.2	-175.3	-57.5	-168.5	-123.7	0	0	110.5	R214 K258 M259 T260 I414 Q437 Y470	R214-E406 IonicContact NH1-OE2 3.57Å; R214-E406 PolarHBondContact NH1-OE2 3.06Å; K258-E406 HydrophobicContact CD-CG 4.3Å; M259-E406 PolarHBondContact N-OE1 3.16Å; T260-E406 WeakPolarHBondContact CA-OE1 3.37Å; T260-E406 WeakPolarHBondContact CB-OE2 3.03Å; T260-E406 WeakPolarHBondContact CG2-OE2 3.11Å; T260-E406 PolarHBondContact N-OE1 2.83Å; T260-E406 PolarHBondContact OG1-OE2 3.14Å; E406-I414 HydrophobicContact CB-CD1 3.79Å; E406-I414 HydrophobicContact CG-CD1 3.83Å; E406-Q437 PolarHBondContact O-NE2 2.64Å; E406-Y470 VanDerWaalsContact C-CE2 3.5Å; E406-Y470 WeakPolarHBondContact O-CE2 3.46Å
407	Q	93.3	Very high	94	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.074	C	C	.	.			trans	-68	153.2	179.3	-68.5	86.9	1.1	0	0	113.2	Y409 F410 Q411 Y470 E474	Q407-Y409 HydrophobicContact CB-CD1 3.88Å; Q407-Y409 HydrophobicContact CB-CD2 4.34Å; Q407-Y409 HydrophobicContact CB-CE1 3.41Å; Q407-Y409 VanDerWaalsContact CB-CE1 3.41Å; Q407-Y409 HydrophobicContact CB-CE2 3.95Å; Q407-Y409 HydrophobicContact CB-CG 4.34Å; Q407-Y409 VanDerWaalsContact CB-CZ 3.46Å; Q407-Y409 HydrophobicContact CG-CE1 3.9Å; Q407-Y409 PolarHBondContact O-N 2.8Å; Q407-F410 HydrophobicContact CB-CD2 4.22Å; Q407-F410 PolarHBondContact O-N 3.12Å; Q407-Q411 PolarHBondContact O-N 3.06Å; Q407-Y470 HydrophobicContact CG-CD1 3.93Å; Q407-Y470 HydrophobicContact CG-CE1 4.2Å; Q407-Y470 HydrophobicContact CG-CG 4.34Å; Q407-Y470 VanDerWaalsContact NE2-CE1 3.28Å; Q407-E474 WeakPolarHBondContact CA-OE1 3.48Å; Q407-E474 WeakPolarHBondContact CB-OE1 3.25Å
408	T	94.5	Very high	94.1	Very high	4 Å²	4	9.5 Å²	9.5	3%	0.025	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-12.3	-171.2	70.1	0	0	0	0	114.9	K204 L440 E474 P486	K204-T408 VanDerWaalsContact CE-O 3.25Å; K204-T408 WeakPolarHBondContact CE-O 3.45Å; K204-T408 VanDerWaalsContact CE-OG1 3.24Å; K204-T408 WeakPolarHBondContact CE-OG1 3.38Å; K204-T408 PolarHBondContact NZ-O 3.1Å; T408-L440 HydrophobicContact CG2-CD1 4.4Å; T408-L440 HydrophobicContact CG2-CD2 3.5Å; T408-E474 HydrophobicContact CG2-CG 3.92Å; T408-E474 WeakPolarHBondContact CG2-OE1 3.4Å; T408-E474 WeakPolarHBondContact CG2-OE2 3.45Å; T408-E474 PolarHBondContact N-OE1 2.9Å; T408-E474 VanDerWaalsContact OG1-CD 3.3Å; T408-E474 PolarHBondContact OG1-OE1 2.92Å; T408-E474 PolarHBondContact OG1-OE2 2.82Å; T408-P486 HydrophobicContact CG2-CB 4.34Å; T408-P486 HydrophobicContact CG2-CG 3.96Å
409	Y	93.1	Very high	94.1	Very high	7 Å²	7	8 Å²	8	3%	0.027	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-13.3	176.7	50.9	-98.6	0	0	0	113.9	Y205 R214 L269 S272 Q407	Y205-Y409 WeakPolarHBondContact CD1-O 3.5Å; R214-Y409 VanDerWaalsContact CD-OH 3.27Å; R214-Y409 WeakPolarHBondContact CD-OH 3.43Å; L269-Y409 HydrophobicContact CD2-CD2 3.52Å; L269-Y409 HydrophobicContact CD2-CE2 4.43Å; L269-Y409 HydrophobicContact CD2-CG 4.11Å; L269-Y409 HydrophobicContact CG-CD2 4.34Å; S272-Y409 VanDerWaalsContact CB-O 3.25Å; S272-Y409 WeakPolarHBondContact CB-O 3.38Å; S272-Y409 PolarHBondContact OG-O 3.04Å; Q407-Y409 HydrophobicContact CB-CD1 3.88Å; Q407-Y409 HydrophobicContact CB-CD2 4.34Å; Q407-Y409 HydrophobicContact CB-CE1 3.41Å; Q407-Y409 VanDerWaalsContact CB-CE1 3.41Å; Q407-Y409 HydrophobicContact CB-CE2 3.95Å; Q407-Y409 HydrophobicContact CB-CG 4.34Å; Q407-Y409 VanDerWaalsContact CB-CZ 3.46Å; Q407-Y409 HydrophobicContact CG-CE1 3.9Å; Q407-Y409 PolarHBondContact O-N 2.8Å
410	F	94.2	Very high	93.9	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-26.8	166	-57.3	-59.3	0	0	0	112.6	T260 P265 L268 L269 S272 Q407 A413 I414	T260-F410 HydrophobicContact CG2-CD2 4.16Å; T260-F410 HydrophobicContact CG2-CE2 4.18Å; T260-F410 HydrophobicContact CG2-CG 4.37Å; T260-F410 HydrophobicContact CG2-CZ 4.4Å; P265-F410 HydrophobicContact CB-CD1 4.42Å; P265-F410 HydrophobicContact CB-CE1 3.47Å; P265-F410 VanDerWaalsContact CB-CE1 3.47Å; P265-F410 HydrophobicContact CB-CZ 3.68Å; P265-F410 WeakPolarHBondContact O-CE1 3.2Å; L268-F410 HydrophobicContact CB-CB 4.29Å; L268-F410 HydrophobicContact CB-CD1 3.72Å; L268-F410 HydrophobicContact CB-CG 4.41Å; L269-F410 HydrophobicContact CD1-CE1 3.91Å; L269-F410 HydrophobicContact CD2-CD1 4.49Å; L269-F410 HydrophobicContact CD2-CE1 4.35Å; L269-F410 HydrophobicContact CG-CD1 3.88Å; L269-F410 HydrophobicContact CG-CE1 3.56Å; S272-F410 VanDerWaalsContact OG-C 3.32Å; S272-F410 PolarHBondContact OG-O 3.34Å; Q407-F410 HydrophobicContact CB-CD2 4.22Å; Q407-F410 PolarHBondContact O-N 3.12Å; F410-A413 PolarHBondContact O-N 2.72Å; F410-I414 HydrophobicContact CB-CD1 3.78Å; F410-I414 HydrophobicContact CB-CG1 4.32Å; F410-I414 WeakPolarHBondContact O-CG1 3.46Å; F410-I414 PolarHBondContact O-N 3.09Å; F410-I414 VanDerWaalsContact O-N 3.13Å
411	Q	96.3	Very high	93.7	Very high	12 Å²	12	10.4 Å²	10.4	6%	0.056	6%	0.055	C	C	.	.	H	α-helix	trans	-57.6	-39	-166.1	-168.3	57.2	39.8	0	0	115.7	A405 Q407 A413 I414 S415	A405-Q411 VanDerWaalsContact CB-OE1 3.25Å; Q407-Q411 PolarHBondContact O-N 3.06Å; Q411-A413 PolarHBondContact O-N 3.14Å; Q411-I414 PolarHBondContact O-N 3.44Å; Q411-S415 PolarHBondContact NE2-OG 3.43Å; Q411-S415 WeakPolarHBondContact O-CB 3.48Å; Q411-S415 PolarHBondContact O-N 2.85Å; Q411-S415 PolarHBondContact O-OG 3.39Å
412	P	94.1	Very high	93.7	Very high	27 Å²	27	10.3 Å²	10.3	18%	0.175	5%	0.054	C	C	.	.	H	α-helix	trans	-58.8	-43.6	177.7	-24.5	33.6	0	0	0	113.2	S272 L275 V276 R416	S272-P412 WeakPolarHBondContact OG-CD 3.47Å; L275-P412 HydrophobicContact CB-CB 4.42Å; L275-P412 HydrophobicContact CD1-CB 4.37Å; L275-P412 WeakPolarHBondContact CD1-O 3.39Å; V276-P412 HydrophobicContact CG2-CB 4.12Å; V276-P412 HydrophobicContact CG2-CG 3.78Å; P412-R416 WeakPolarHBondContact O-CB 3.43Å; P412-R416 PolarHBondContact O-N 3.12Å
413	A	90.6	Very high	93.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.3	-47.4	173.8	0	0	0	0	0	111.6	L268 F271 S272 F410 Q411 S415 R416 L417	L268-A413 HydrophobicContact CB-CB 4.25Å; L268-A413 HydrophobicContact CD2-CB 3.81Å; L268-A413 WeakPolarHBondContact O-CB 3.38Å; F271-A413 HydrophobicContact CB-CB 4.07Å; F271-A413 HydrophobicContact CD1-CB 3.66Å; F271-A413 HydrophobicContact CG-CB 4.23Å; S272-A413 VanDerWaalsContact OG-CB 3.23Å; S272-A413 WeakPolarHBondContact OG-CB 3.42Å; S272-A413 PolarHBondContact OG-N 3.02Å; F410-A413 PolarHBondContact O-N 2.72Å; Q411-A413 PolarHBondContact O-N 3.14Å; A413-S415 PolarHBondContact O-N 3.45Å; A413-R416 PolarHBondContact O-N 2.9Å; A413-L417 VanDerWaalsContact O-CG 3.3Å; A413-L417 WeakPolarHBondContact O-CG 3.44Å; A413-L417 PolarHBondContact O-N 2.78Å
414	I	95.3	Very high	93.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-56.6	-48.3	179.1	-65.5	178.8	0	0	0	111.1	M259 L268 V403 E406 F410 Q411 T418	M259-I414 HydrophobicContact CB-CD1 4.11Å; M259-I414 HydrophobicContact CB-CG1 3.82Å; M259-I414 HydrophobicContact CG-CB 4.29Å; M259-I414 HydrophobicContact CG-CG1 3.97Å; M259-I414 HydrophobicContact CG-CG2 3.86Å; L268-I414 HydrophobicContact CD1-CG1 4.29Å; L268-I414 HydrophobicContact CD2-CG1 4.27Å; V403-I414 HydrophobicContact CG1-CG2 3.95Å; E406-I414 HydrophobicContact CB-CD1 3.79Å; E406-I414 HydrophobicContact CG-CD1 3.83Å; F410-I414 HydrophobicContact CB-CD1 3.78Å; F410-I414 HydrophobicContact CB-CG1 4.32Å; F410-I414 WeakPolarHBondContact O-CG1 3.46Å; F410-I414 PolarHBondContact O-N 3.09Å; F410-I414 VanDerWaalsContact O-N 3.13Å; Q411-I414 PolarHBondContact O-N 3.44Å; I414-T418 WeakPolarHBondContact O-CB 3.49Å; I414-T418 PolarHBondContact O-N 3.46Å; I414-T418 PolarHBondContact O-OG1 3.22Å
415	S	95.3	Very high	93.4	Very high	17 Å²	17	19 Å²	19	12%	0.119	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-50.5	176.4	-69	0	0	0	0	111.3	Q411 A413 L417 T418 L419	Q411-S415 PolarHBondContact NE2-OG 3.43Å; Q411-S415 WeakPolarHBondContact O-CB 3.48Å; Q411-S415 PolarHBondContact O-N 2.85Å; Q411-S415 PolarHBondContact O-OG 3.39Å; A413-S415 PolarHBondContact O-N 3.45Å; S415-L417 PolarHBondContact O-N 3.2Å; S415-T418 WeakPolarHBondContact O-CB 3.3Å; S415-T418 PolarHBondContact O-N 2.92Å; S415-T418 VanDerWaalsContact O-N 3.16Å; S415-L419 WeakPolarHBondContact O-CG 3.28Å; S415-L419 PolarHBondContact O-N 3.1Å
416	R	91.2	Very high	93.5	Very high	25 Å²	25	18.7 Å²	18.7	9%	0.094	9%	0.086	C	C	.	.	H	α-helix	trans	-59	-47.2	-179.2	179.2	52.4	168.5	-154.4	-11.6	112.4	F271 L275 N342 N346 P412 A413 T418 L419 E420	F271-R416 HydrophobicContact CE1-CB 4.31Å; F271-R416 HydrophobicContact CE1-CG 4.05Å; F271-R416 HydrophobicContact CZ-CG 3.97Å; L275-R416 HydrophobicContact CD1-CB 3.8Å; L275-R416 HydrophobicContact CD1-CG 4.24Å; L275-R416 HydrophobicContact CD2-CG 4.34Å; N342-R416 PolarHBondContact O-NH2 2.93Å; N342-R416 VanDerWaalsContact O-NH2 3.11Å; N346-R416 PolarHBondContact ND2-NH2 2.7Å; N346-R416 VanDerWaalsContact ND2-NH2 3.12Å; N346-R416 PolarHBondContact OD1-NH2 2.81Å; P412-R416 WeakPolarHBondContact O-CB 3.43Å; P412-R416 PolarHBondContact O-N 3.12Å; A413-R416 PolarHBondContact O-N 2.9Å; R416-T418 VanDerWaalsContact C-N 3.3Å; R416-T418 PolarHBondContact O-N 2.62Å; R416-L419 PolarHBondContact O-N 3.3Å; R416-E420 IonicContact CZ-OE1 3.38Å; R416-E420 IonicContact NE-OE1 2.78Å; R416-E420 PolarHBondContact NE-OE1 2.98Å; R416-E420 IonicContact NH1-OE1 2.65Å; R416-E420 IonicContact NH2-OE1 3.14Å; R416-E420 PolarHBondContact O-N 2.8Å; R416-E420 VanDerWaalsContact O-N 3.13Å
417	L	89.9	Confident	93.6	Very high	18 Å²	18	25.6 Å²	25.6	9%	0.094	11%	0.112	C	C	.	.	H	α-helix	trans	-64.1	-36.8	178.2	-64.2	-179.2	0	0	0	112	M259 F267 L268 F271 L384 A413 S415 E420 M421	M259-L417 HydrophobicContact CE-CB 4.23Å; F267-L417 HydrophobicContact CE1-CD1 3.89Å; F267-L417 HydrophobicContact CZ-CD1 4.42Å; L268-L417 HydrophobicContact CD2-CD1 3.97Å; F271-L417 HydrophobicContact CE1-CD2 3.97Å; F271-L417 HydrophobicContact CE1-CG 4.27Å; L384-L417 HydrophobicContact CD2-CD1 3.93Å; L384-L417 HydrophobicContact CD2-CD2 3.55Å; L384-L417 HydrophobicContact CD2-CG 4.24Å; A413-L417 VanDerWaalsContact O-CG 3.3Å; A413-L417 WeakPolarHBondContact O-CG 3.44Å; A413-L417 PolarHBondContact O-N 2.78Å; S415-L417 PolarHBondContact O-N 3.2Å; L417-E420 PolarHBondContact O-N 2.73Å; L417-M421 WeakPolarHBondContact O-CG 3.22Å; L417-M421 PolarHBondContact O-N 3.45Å
418	T	95.8	Very high	93.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-38.8	175	-54.1	0	0	0	0	112	V403 I414 S415 R416 M421 Q422 I432 N434	V403-T418 HydrophobicContact CB-CG2 3.83Å; V403-T418 WeakPolarHBondContact CB-OG1 3.46Å; V403-T418 WeakPolarHBondContact CG1-OG1 3.47Å; V403-T418 HydrophobicContact CG2-CG2 3.58Å; I414-T418 WeakPolarHBondContact O-CB 3.49Å; I414-T418 PolarHBondContact O-N 3.46Å; I414-T418 PolarHBondContact O-OG1 3.22Å; S415-T418 WeakPolarHBondContact O-CB 3.3Å; S415-T418 PolarHBondContact O-N 2.92Å; S415-T418 VanDerWaalsContact O-N 3.16Å; R416-T418 VanDerWaalsContact C-N 3.3Å; R416-T418 PolarHBondContact O-N 2.62Å; T418-M421 WeakPolarHBondContact O-CB 3.25Å; T418-M421 PolarHBondContact O-N 2.86Å; T418-Q422 WeakPolarHBondContact O-CG 3.26Å; T418-Q422 PolarHBondContact O-N 2.79Å; T418-I432 HydrophobicContact CG2-CG2 3.85Å; T418-N434 HydrophobicContact CG2-CB 3.69Å
419	L	93	Very high	93.5	Very high	6 Å²	6	38.2 Å²	38.2	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-40	176.7	-67.2	164.7	0	0	0	112.4	S415 R416 M421 Q422 R423 D450	S415-L419 WeakPolarHBondContact O-CG 3.28Å; S415-L419 PolarHBondContact O-N 3.1Å; R416-L419 PolarHBondContact O-N 3.3Å; L419-M421 PolarHBondContact O-N 3.09Å; L419-Q422 WeakPolarHBondContact O-CB 3.5Å; L419-Q422 PolarHBondContact O-N 3.05Å; L419-Q422 VanDerWaalsContact O-N 3.14Å; L419-R423 VanDerWaalsContact O-CB 3.31Å; L419-R423 WeakPolarHBondContact O-CB 3.48Å; L419-R423 PolarHBondContact O-N 2.64Å; L419-D450 HydrophobicContact CD1-CB 4.3Å; L419-D450 WeakPolarHBondContact CD1-OD1 3.31Å; L419-D450 WeakPolarHBondContact CD1-OD2 3.31Å; L419-D450 HydrophobicContact CD2-CB 3.83Å
420	E	89.3	Confident	93.6	Very high	43 Å²	43	38 Å²	38	20%	0.201	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-31.7	173.7	-63.5	-60.6	154.6	0	0	111.6	N346 R416 L417 R423 K424	N346-E420 PolarHBondContact ND2-OE1 2.69Å; R416-E420 IonicContact CZ-OE1 3.38Å; R416-E420 IonicContact NE-OE1 2.78Å; R416-E420 PolarHBondContact NE-OE1 2.98Å; R416-E420 IonicContact NH1-OE1 2.65Å; R416-E420 IonicContact NH2-OE1 3.14Å; R416-E420 PolarHBondContact O-N 2.8Å; R416-E420 VanDerWaalsContact O-N 3.13Å; L417-E420 PolarHBondContact O-N 2.73Å; E420-R423 WeakPolarHBondContact OE2-CD 3.41Å; E420-R423 IonicContact OE2-NH1 3.79Å; E420-R423 PolarHBondContact OE2-NH1 2.94Å; E420-K424 WeakPolarHBondContact O-CB 3.4Å; E420-K424 PolarHBondContact O-N 2.92Å
421	M	92.4	Very high	93.7	Very high	26 Å²	26	38.4 Å²	38.4	13%	0.128	17%	0.171	C	C	.	.	H	α-helix	trans	-71.1	-39.3	170.4	-62.5	-61.2	95.5	0	0	112.8	V387 L417 T418 L419 K424 F425 I432	V387-M421 HydrophobicContact CG1-CG 3.56Å; V387-M421 HydrophobicContact CG1-SD 3.79Å; L417-M421 WeakPolarHBondContact O-CG 3.22Å; L417-M421 PolarHBondContact O-N 3.45Å; T418-M421 WeakPolarHBondContact O-CB 3.25Å; T418-M421 PolarHBondContact O-N 2.86Å; L419-M421 PolarHBondContact O-N 3.09Å; M421-K424 PolarHBondContact O-N 2.98Å; M421-F425 HydrophobicContact CB-CD2 4.48Å; M421-F425 WeakPolarHBondContact O-CB 3.47Å; M421-F425 WeakPolarHBondContact O-CD2 3.31Å; M421-F425 PolarHBondContact O-N 3.21Å; M421-F425 HydrophobicContact SD-CD2 4.39Å; M421-F425 HydrophobicContact SD-CE2 3.95Å; M421-I432 HydrophobicContact CB-CG1 4.24Å; M421-I432 HydrophobicContact CB-CG2 4.06Å
422	Q	96.8	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-49.3	171.5	-66.2	-164	29.4	0	0	111	T418 L419 K424 F425 N426 I432 G462	T418-Q422 WeakPolarHBondContact O-CG 3.26Å; T418-Q422 PolarHBondContact O-N 2.79Å; L419-Q422 WeakPolarHBondContact O-CB 3.5Å; L419-Q422 PolarHBondContact O-N 3.05Å; L419-Q422 VanDerWaalsContact O-N 3.14Å; Q422-K424 PolarHBondContact O-N 3.19Å; Q422-F425 PolarHBondContact O-N 3Å; Q422-N426 WeakPolarHBondContact CG-ND2 3.18Å; Q422-N426 WeakPolarHBondContact O-CA 3.47Å; Q422-N426 VanDerWaalsContact O-CB 3.23Å; Q422-N426 WeakPolarHBondContact O-CB 3.47Å; Q422-N426 PolarHBondContact O-N 3.33Å; Q422-I432 HydrophobicContact CG-CB 4.02Å; Q422-I432 HydrophobicContact CG-CG2 4.08Å; Q422-I432 WeakPolarHBondContact CG-O 3.49Å; Q422-G462 PolarHBondContact NE2-O 2.76Å
423	R	91.5	Very high	93.9	Very high	78 Å²	78	36.7 Å²	36.7	29%	0.294	16%	0.161	S	C	.	.	H	α-helix	trans	-52.1	-42.6	174.4	173.2	168.7	-161.7	-133.9	6.6	112	L419 E420 R427 E457 W459	L419-R423 VanDerWaalsContact O-CB 3.31Å; L419-R423 WeakPolarHBondContact O-CB 3.48Å; L419-R423 PolarHBondContact O-N 2.64Å; E420-R423 WeakPolarHBondContact OE2-CD 3.41Å; E420-R423 IonicContact OE2-NH1 3.79Å; E420-R423 PolarHBondContact OE2-NH1 2.94Å; R423-R427 PolarHBondContact O-NE 3.13Å; R423-R427 PolarHBondContact O-NH1 2.57Å; R423-R427 PolarHBondContact O-NH2 3.49Å; R423-E457 IonicContact CZ-OE1 3.12Å; R423-E457 IonicContact CZ-OE2 3.62Å; R423-E457 IonicContact NE-OE1 2.73Å; R423-E457 IonicContact NE-OE2 2.82Å; R423-E457 PolarHBondContact NE-OE2 2.9Å; R423-E457 IonicContact NH2-OE1 2.65Å; R423-E457 IonicContact NH2-OE2 3.52Å; R423-E457 PolarHBondContact NH2-OE2 3.08Å; R423-W459 HydrophobicContact CB-CD2 3.96Å; R423-W459 HydrophobicContact CB-CE3 3.73Å; R423-W459 HydrophobicContact CB-CH2 3.78Å; R423-W459 HydrophobicContact CB-CZ2 4.01Å; R423-W459 HydrophobicContact CB-CZ3 3.58Å; R423-W459 HydrophobicContact CG-CD2 4.34Å; R423-W459 HydrophobicContact CG-CE3 3.6Å; R423-W459 HydrophobicContact CG-CH2 3.79Å; R423-W459 HydrophobicContact CG-CZ2 4.5Å; R423-W459 HydrophobicContact CG-CZ3 3.23Å
424	K	90.9	Very high	94.3	Very high	103 Å²	103	36.7 Å²	36.7	45%	0.448	16%	0.161	S	C	.	.	H	α-helix	trans	-71.8	-51.4	178.5	-171.8	169.6	-178.4	179.6	0	113	D388 E420 M421 Q422 R427	D388-K424 WeakPolarHBondContact OD1-CE 3.24Å; D388-K424 IonicContact OD1-NZ 3.7Å; D388-K424 PolarHBondContact OD1-NZ 3.24Å; D388-K424 IonicContact OD2-NZ 2.94Å; E420-K424 WeakPolarHBondContact O-CB 3.4Å; E420-K424 PolarHBondContact O-N 2.92Å; M421-K424 PolarHBondContact O-N 2.98Å; Q422-K424 PolarHBondContact O-N 3.19Å; K424-R427 PolarHBondContact O-NE 2.8Å; K424-R427 VanDerWaalsContact O-NE 3.15Å
425	F	95.6	Very high	94.4	Very high	26 Å²	26	36.8 Å²	36.8	11%	0.114	16%	0.162	C	C	.	.	H	α-helix	trans	-103.5	-25.4	-164.3	-67.7	-80.2	0	0	0	115.6	D388 A391 K392 M421 Q422 R427 I432	D388-F425 WeakPolarHBondContact OD1-CZ 3.18Å; A391-F425 HydrophobicContact CB-CD1 4.38Å; A391-F425 HydrophobicContact CB-CD2 3.63Å; A391-F425 HydrophobicContact CB-CE1 4.15Å; A391-F425 HydrophobicContact CB-CE2 3.37Å; A391-F425 HydrophobicContact CB-CG 4.15Å; A391-F425 HydrophobicContact CB-CZ 3.65Å; K392-F425 HydrophobicContact CG-CE1 3.96Å; K392-F425 HydrophobicContact CG-CZ 4.11Å; M421-F425 HydrophobicContact CB-CD2 4.48Å; M421-F425 WeakPolarHBondContact O-CB 3.47Å; M421-F425 WeakPolarHBondContact O-CD2 3.31Å; M421-F425 PolarHBondContact O-N 3.21Å; M421-F425 HydrophobicContact SD-CD2 4.39Å; M421-F425 HydrophobicContact SD-CE2 3.95Å; Q422-F425 PolarHBondContact O-N 3Å; F425-R427 PolarHBondContact O-N 2.89Å; F425-I432 HydrophobicContact CB-CG1 4.11Å
426	N	97.4	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.157	C	C	.	.			trans	-82.7	56.7	-177.7	-64.3	0.2	0	0	0	112.1	Q422 K429 V431 I432 Y460	Q422-N426 WeakPolarHBondContact CG-ND2 3.18Å; Q422-N426 WeakPolarHBondContact O-CA 3.47Å; Q422-N426 VanDerWaalsContact O-CB 3.23Å; Q422-N426 WeakPolarHBondContact O-CB 3.47Å; Q422-N426 PolarHBondContact O-N 3.33Å; N426-K429 WeakPolarHBondContact CA-O 3.33Å; N426-V431 PolarHBondContact OD1-N 3.08Å; N426-I432 PolarHBondContact ND2-O 3.16Å; N426-I432 PolarHBondContact OD1-N 3.06Å; N426-Y460 WeakPolarHBondContact CB-O 3.46Å; N426-Y460 PolarHBondContact ND2-O 2.82Å; N426-Y460 PolarHBondContact O-N 3.13Å
427	R	94.7	Very high	94.9	Very high	146 Å²	146	35.5 Å²	35.5	55%	0.551	15%	0.154	S	C	*	.	S	Bend	trans	-83	-39.8	-174.2	-61.1	-55.5	-171.8	166.9	2.9	114.2	R423 K424 F425 Y460	R423-R427 PolarHBondContact O-NE 3.13Å; R423-R427 PolarHBondContact O-NH1 2.57Å; R423-R427 PolarHBondContact O-NH2 3.49Å; K424-R427 PolarHBondContact O-NE 2.8Å; K424-R427 VanDerWaalsContact O-NE 3.15Å; F425-R427 PolarHBondContact O-N 2.89Å; R427-Y460 WeakPolarHBondContact O-CD2 3.3Å; R427-Y460 WeakPolarHBondContact O-CE2 3.48Å
428	E	92.3	Very high	95.3	Very high	171 Å²	171	34.6 Å²	34.6	80%	0.799	15%	0.15	S	C	*	.	S	Bend	trans	-110.7	-31.3	-179	-63.1	175	-176.1	0	0	112.8	Y460	E428-Y460 WeakPolarHBondContact O-CE2 3.34Å
429	K	93.3	Very high	95.4	Very high	98 Å²	98	34.6 Å²	34.6	43%	0.426	15%	0.15	S	C	.	.	S	Bend	trans	-153.9	159.2	177.5	61.1	178.4	-179.7	174.4	0	109.8	N426 V431	N426-K429 WeakPolarHBondContact CA-O 3.33Å; K429-V431 PolarHBondContact O-N 2.98Å
430	P	95.2	Very high	95.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.013	15%	0.153	C	C	.	.			trans	-61.6	117.3	169.4	-29.5	41.2	0	0	0	112.4	R400 F433 F461 N516	R400-P430 PolarHBondContact NE-O 3.2Å; P430-F433 HydrophobicContact CB-CD2 4.4Å; P430-F433 HydrophobicContact CB-CE2 3.47Å; P430-F433 VanDerWaalsContact CB-CE2 3.47Å; P430-F433 HydrophobicContact CB-CZ 3.58Å; P430-F461 WeakPolarHBondContact CG-O 3.5Å; P430-N516 HydrophobicContact CB-CB 4.21Å; P430-N516 HydrophobicContact CG-CB 3.79Å
431	V	96.1	Very high	96	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.048	16%	0.161	C	C	.	.			trans	-105.9	-42.8	171	-179.9	0	0	0	0	109.4	L395 R400 L401 N426 K429	L395-V431 HydrophobicContact CD1-CG2 4.14Å; R400-V431 CarbonylContact C-O 3.57Å; R400-V431 VanDerWaalsContact CA-O 3.22Å; R400-V431 WeakPolarHBondContact CA-O 3.24Å; R400-V431 WeakPolarHBondContact CB-O 3.25Å; L401-V431 PolarHBondContact N-O 2.87Å; N426-V431 PolarHBondContact OD1-N 3.08Å; K429-V431 PolarHBondContact O-N 2.98Å
432	I	97.9	Very high	96.1	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.7	178.8	-49.3	-57.6	0	0	0	109.7	A391 L401 V403 T418 M421 Q422 F425 N426	A391-I432 HydrophobicContact CB-CD1 3.8Å; L401-I432 HydrophobicContact CB-CD1 3.84Å; L401-I432 HydrophobicContact CD1-CD1 4.02Å; L401-I432 HydrophobicContact CG-CD1 4.15Å; L401-I432 CarbonylContact O-C 3.55Å; V403-I432 HydrophobicContact CG2-CG2 4.36Å; T418-I432 HydrophobicContact CG2-CG2 3.85Å; M421-I432 HydrophobicContact CB-CG1 4.24Å; M421-I432 HydrophobicContact CB-CG2 4.06Å; Q422-I432 HydrophobicContact CG-CB 4.02Å; Q422-I432 HydrophobicContact CG-CG2 4.08Å; Q422-I432 WeakPolarHBondContact CG-O 3.49Å; F425-I432 HydrophobicContact CB-CG1 4.11Å; N426-I432 PolarHBondContact ND2-O 3.16Å; N426-I432 PolarHBondContact OD1-N 3.06Å
433	F	98.3	Very high	96.1	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.4	179.6	-77	-113.5	0	0	0	110.5	F254 R400 L401 M402 V403 P430 G462 A463 N516	F254-F433 HydrophobicContact CE1-CD1 4.4Å; F254-F433 HydrophobicContact CE1-CD2 4.01Å; F254-F433 HydrophobicContact CE1-CE1 4.35Å; F254-F433 AromaticContact CE1-CE2 4Å; F254-F433 HydrophobicContact CE1-CE2 4Å; F254-F433 HydrophobicContact CE1-CG 4.25Å; F254-F433 HydrophobicContact CE1-CZ 4.15Å; F254-F433 HydrophobicContact CZ-CZ 4.33Å; R400-F433 HydrophobicContact CB-CD2 4.43Å; R400-F433 HydrophobicContact CB-CE2 4.36Å; R400-F433 HydrophobicContact CG-CE2 4.19Å; L401-F433 PolarHBondContact O-N 3.04Å; M402-F433 HydrophobicContact CE-CB 4.46Å; V403-F433 PolarHBondContact N-O 3.42Å; P430-F433 HydrophobicContact CB-CD2 4.4Å; P430-F433 HydrophobicContact CB-CE2 3.47Å; P430-F433 VanDerWaalsContact CB-CE2 3.47Å; P430-F433 HydrophobicContact CB-CZ 3.58Å; F433-G462 WeakPolarHBondContact CA-O 3.26Å; F433-A463 WeakPolarHBondContact CD1-O 3.25Å; F433-N516 HydrophobicContact CE1-CB 4.09Å; F433-N516 HydrophobicContact CZ-CB 3.92Å
434	N	98.3	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	139.5	171.9	-170.8	21.7	0	0	0	110.5	T418 Y436 G462 A463 K464	T418-N434 HydrophobicContact CG2-CB 3.69Å; N434-Y436 HydrophobicContact CB-CE2 3.86Å; N434-Y436 VanDerWaalsContact ND2-CZ 3.25Å; N434-Y436 PolarHBondContact ND2-OH 2.75Å; N434-Y436 VanDerWaalsContact ND2-OH 3.07Å; N434-G462 PolarHBondContact N-O 2.69Å; N434-A463 CarbonylContact O-C 3.52Å; N434-A463 WeakPolarHBondContact O-CA 3.48Å; N434-K464 PolarHBondContact O-N 2.92Å
435	T	98.3	Very high	96.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.6	178.6	-61.8	0	0	0	0	110.8	V403 A405 K464 V466	V403-T435 VanDerWaalsContact O-CB 3.28Å; V403-T435 WeakPolarHBondContact O-CB 3.49Å; V403-T435 PolarHBondContact O-N 3.06Å; V403-T435 PolarHBondContact O-OG1 2.9Å; A405-T435 HydrophobicContact CB-CG2 3.57Å; T435-K464 CarbonylContact C-O 3.45Å; T435-K464 WeakPolarHBondContact CA-O 3.25Å; T435-K464 HydrophobicContact CG2-CD 4.26Å; T435-K464 HydrophobicContact CG2-CG 4.11Å; T435-V466 HydrophobicContact CG2-CG1 4.28Å; T435-V466 HydrophobicContact CG2-CG2 3.72Å
436	Y	98.6	Very high	96.7	Very high	7 Å²	7	37 Å²	37	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.7	175.5	-60.4	-92.6	0	0	0	110.3	N434 N446 V447 D450 F461 A463 K464 L465 V466	N434-Y436 HydrophobicContact CB-CE2 3.86Å; N434-Y436 VanDerWaalsContact ND2-CZ 3.25Å; N434-Y436 PolarHBondContact ND2-OH 2.75Å; N434-Y436 VanDerWaalsContact ND2-OH 3.07Å; Y436-N446 HydrophobicContact CD1-CB 4.43Å; Y436-N446 HydrophobicContact CE1-CB 4.4Å; Y436-V447 HydrophobicContact CD1-CB 4.44Å; Y436-V447 HydrophobicContact CD1-CG2 3.38Å; Y436-V447 HydrophobicContact CD2-CG2 4.1Å; Y436-V447 HydrophobicContact CE1-CG2 3.93Å; Y436-V447 HydrophobicContact CG-CG2 3.49Å; Y436-V447 VanDerWaalsContact CG-CG2 3.49Å; Y436-D450 WeakPolarHBondContact CE1-OD2 3.43Å; Y436-D450 VanDerWaalsContact CZ-OD2 3.29Å; Y436-D450 WeakPolarHBondContact OH-CB 3.43Å; Y436-D450 PolarHBondContact OH-OD2 3.15Å; Y436-F461 HydrophobicContact CE2-CE2 4.37Å; Y436-F461 AromaticContact CE2-CZ 3.78Å; Y436-F461 HydrophobicContact CE2-CZ 3.78Å; Y436-F461 AromaticContact CZ-CZ 3.87Å; Y436-F461 WeakPolarHBondContact OH-CE2 3.26Å; Y436-A463 HydrophobicContact CD2-CB 4.01Å; Y436-A463 HydrophobicContact CE2-CB 3.91Å; Y436-K464 PolarHBondContact N-O 3.43Å; Y436-L465 HydrophobicContact CD2-CD2 4.21Å; Y436-L465 HydrophobicContact CG-CD2 4.32Å; Y436-V466 WeakPolarHBondContact O-CG2 3.27Å; Y436-V466 PolarHBondContact O-N 3.16Å
437	Q	98	Very high	96.7	Very high	7 Å²	7	37 Å²	37	3%	0.033	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	99.8	-176.7	-51.7	170.4	-40.5	0	0	110.2	A405 E406 Y439 L440 V466 R467	A405-Q437 VanDerWaalsContact CB-CD 3.49Å; A405-Q437 HydrophobicContact CB-CG 3.45Å; A405-Q437 VanDerWaalsContact CB-CG 3.45Å; A405-Q437 VanDerWaalsContact CB-NE2 3.27Å; E406-Q437 PolarHBondContact O-NE2 2.64Å; Q437-Y439 HydrophobicContact CB-CD1 3.57Å; Q437-Y439 HydrophobicContact CB-CE1 3.42Å; Q437-Y439 VanDerWaalsContact CB-CE1 3.42Å; Q437-Y439 HydrophobicContact CG-CE1 4.15Å; Q437-Y439 PolarHBondContact O-N 3.28Å; Q437-Y439 VanDerWaalsContact O-N 3.14Å; Q437-L440 HydrophobicContact CB-CD1 4.31Å; Q437-L440 HydrophobicContact CB-CG 4.3Å; Q437-L440 WeakPolarHBondContact O-CB 3.33Å; Q437-L440 WeakPolarHBondContact O-CG 3.33Å; Q437-L440 PolarHBondContact O-N 2.8Å; Q437-V466 HydrophobicContact CB-CG2 4.36Å; Q437-V466 HydrophobicContact CG-CG2 4.1Å; Q437-R467 CarbonylContact C-O 3.56Å
438	C	98.4	Very high	96.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-3.1	-173.5	-55.7	0	0	0	0	115	V466 R467 N488 M497 Y498	C438-V466 WeakPolarHBondContact CB-O 3.37Å; C438-V466 PolarHBondContact N-O 2.76Å; C438-V466 PolarHBondContact SG-O 2.67Å; C438-R467 PolarHBondContact N-O 3.04Å; C438-R467 VanDerWaalsContact N-O 3.12Å; C438-N488 PolarHBondContact O-ND2 3.03Å; C438-M497 HydrophobicContact CB-CG 4.3Å; C438-M497 VanDerWaalsContact O-CB 3.32Å; C438-M497 WeakPolarHBondContact O-CB 3.3Å; C438-M497 WeakPolarHBondContact O-CG 3.31Å; C438-Y498 HydrophobicContact CB-CD2 3.83Å; C438-Y498 HydrophobicContact CB-CG 4.2Å
439	Y	97.1	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.8	164.5	83.6	-50	0	0	0	113.3	Q437 R467 M471 E474 I487 N488	Q437-Y439 HydrophobicContact CB-CD1 3.57Å; Q437-Y439 HydrophobicContact CB-CE1 3.42Å; Q437-Y439 VanDerWaalsContact CB-CE1 3.42Å; Q437-Y439 HydrophobicContact CG-CE1 4.15Å; Q437-Y439 PolarHBondContact O-N 3.28Å; Q437-Y439 VanDerWaalsContact O-N 3.14Å; Y439-R467 WeakPolarHBondContact CB-O 3.44Å; Y439-R467 WeakPolarHBondContact CD1-O 3.28Å; Y439-R467 PolarHBondContact N-O 3.33Å; Y439-M471 HydrophobicContact CD2-CB 4.19Å; Y439-M471 HydrophobicContact CD2-CG 3.55Å; Y439-M471 HydrophobicContact CE2-CB 4.46Å; Y439-M471 HydrophobicContact CE2-CG 4.09Å; Y439-M471 HydrophobicContact CG-CG 4.22Å; Y439-E474 HydrophobicContact CE2-CG 4.27Å; Y439-I487 HydrophobicContact CD2-CB 3.73Å; Y439-I487 HydrophobicContact CD2-CD1 4.38Å; Y439-I487 HydrophobicContact CD2-CG2 3.5Å; Y439-I487 HydrophobicContact CE2-CB 4.22Å; Y439-I487 HydrophobicContact CE2-CG2 3.44Å; Y439-I487 VanDerWaalsContact CE2-CG2 3.44Å; Y439-I487 HydrophobicContact CG-CB 4.49Å; Y439-I487 CarbonylContact O-C 3.49Å; Y439-I487 WeakPolarHBondContact O-CA 3.08Å; Y439-I487 WeakPolarHBondContact O-CB 3.35Å; Y439-N488 PolarHBondContact O-N 3.15Å; Y439-N488 PolarHBondContact O-ND2 2.91Å
440	L	97.7	Very high	97.1	Very high	19 Å²	19	18.7 Å²	18.7	10%	0.099	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-82.9	144.5	178.8	-57.3	-178.6	0	0	0	111.8	T408 Q437 E442 A443 P486 I487 N488	T408-L440 HydrophobicContact CG2-CD1 4.4Å; T408-L440 HydrophobicContact CG2-CD2 3.5Å; Q437-L440 HydrophobicContact CB-CD1 4.31Å; Q437-L440 HydrophobicContact CB-CG 4.3Å; Q437-L440 WeakPolarHBondContact O-CB 3.33Å; Q437-L440 WeakPolarHBondContact O-CG 3.33Å; Q437-L440 PolarHBondContact O-N 2.8Å; L440-E442 VanDerWaalsContact C-N 3.27Å; L440-E442 PolarHBondContact O-N 3.12Å; L440-A443 HydrophobicContact CB-CB 4.36Å; L440-A443 WeakPolarHBondContact O-CB 3.4Å; L440-A443 PolarHBondContact O-N 3.21Å; L440-P486 HydrophobicContact CD2-CB 4.42Å; L440-I487 HydrophobicContact CD2-CG2 4.28Å; L440-N488 PolarHBondContact O-ND2 3.23Å
441	K	96.6	Very high	97.2	Very high	86 Å²	86	18.6 Å²	18.6	37%	0.374	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-37.2	172.4	-68	168.8	172.5	170.3	0	112.4	A443 E484 D485 P486 I487 M497	K441-A443 VanDerWaalsContact C-N 3.32Å; K441-A443 PolarHBondContact O-N 2.82Å; K441-E484 IonicContact NZ-OE1 3.44Å; K441-E484 PolarHBondContact NZ-OE1 2.96Å; K441-D485 VanDerWaalsContact CE-O 3.3Å; K441-D485 WeakPolarHBondContact CE-O 3.29Å; K441-D485 PolarHBondContact NZ-O 3.2Å; K441-P486 PolarHBondContact N-O 3.49Å; K441-I487 WeakPolarHBondContact CE-O 3.46Å; K441-M497 VanDerWaalsContact O-CE 3.29Å; K441-M497 WeakPolarHBondContact O-CE 3.17Å
442	E	94.7	Very high	97.2	Very high	89 Å²	89	19.9 Å²	19.9	42%	0.416	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.4	-177.8	-61.1	-178.5	178.2	0	0	114	R279 L440 Y444 D445 N446	R279-E442 IonicContact NH1-OE2 2.76Å; L440-E442 VanDerWaalsContact C-N 3.27Å; L440-E442 PolarHBondContact O-N 3.12Å; E442-Y444 VanDerWaalsContact C-N 3.34Å; E442-Y444 PolarHBondContact O-N 3.43Å; E442-D445 PolarHBondContact O-N 3.41Å; E442-N446 PolarHBondContact O-N 2.87Å; E442-N446 PolarHBondContact O-ND2 2.97Å; E442-N446 PolarHBondContact O-OD1 3.48Å
443	A	97.7	Very high	96.9	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.025	10%	0.098	C	C	.	.	H	α-helix	trans	-58	-43.6	-169.7	0	0	0	0	0	113.1	L440 K441 N446 V447 M497	L440-A443 HydrophobicContact CB-CB 4.36Å; L440-A443 WeakPolarHBondContact O-CB 3.4Å; L440-A443 PolarHBondContact O-N 3.21Å; K441-A443 VanDerWaalsContact C-N 3.32Å; K441-A443 PolarHBondContact O-N 2.82Å; A443-N446 PolarHBondContact O-N 3.24Å; A443-V447 WeakPolarHBondContact O-CG2 3.14Å; A443-V447 PolarHBondContact O-N 2.97Å; A443-M497 HydrophobicContact CB-CG 3.94Å; A443-M497 HydrophobicContact CB-SD 4.17Å
444	Y	97.8	Very high	96.8	Very high	47 Å²	47	20.7 Å²	20.7	18%	0.184	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-51.2	178.5	-178.1	-100.3	0	0	0	112	E442 N446 V447 T448 K500	E442-Y444 VanDerWaalsContact C-N 3.34Å; E442-Y444 PolarHBondContact O-N 3.43Å; Y444-N446 VanDerWaalsContact C-N 3.25Å; Y444-N446 PolarHBondContact O-N 2.65Å; Y444-V447 PolarHBondContact O-N 2.9Å; Y444-T448 HydrophobicContact CD1-CG2 4.06Å; Y444-T448 HydrophobicContact CD2-CG2 4.09Å; Y444-T448 HydrophobicContact CE1-CG2 3.66Å; Y444-T448 HydrophobicContact CE2-CG2 3.7Å; Y444-T448 HydrophobicContact CG-CG2 4.26Å; Y444-T448 VanDerWaalsContact CZ-CG2 3.47Å; Y444-T448 VanDerWaalsContact O-CG2 3.32Å; Y444-T448 WeakPolarHBondContact O-CG2 3.48Å; Y444-T448 PolarHBondContact O-N 3.44Å; Y444-T448 PolarHBondContact O-OG1 2.73Å; Y444-T448 VanDerWaalsContact O-OG1 3.14Å; Y444-K500 HydrophobicContact CD1-CD 4.39Å; Y444-K500 HydrophobicContact CD2-CB 4.25Å; Y444-K500 HydrophobicContact CD2-CD 3.5Å; Y444-K500 HydrophobicContact CD2-CG 3.67Å; Y444-K500 HydrophobicContact CE2-CD 3.66Å; Y444-K500 VanDerWaalsContact CE2-CE 3.45Å; Y444-K500 HydrophobicContact CE2-CG 3.61Å; Y444-K500 HydrophobicContact CG-CD 3.89Å; Y444-K500 VanDerWaalsContact CZ-CE 3.45Å
445	D	95.4	Very high	96.6	Very high	50 Å²	50	25.7 Å²	25.7	27%	0.267	12%	0.118	S	C	.	.	H	α-helix	trans	-57.7	-40.6	178.4	-71.2	10	0	0	0	111.7	R279 A296 E442 T448 L449	R279-D445 IonicContact NH2-OD2 2.91Å; R279-D445 PolarHBondContact NH2-OD2 2.67Å; R279-D445 VanDerWaalsContact NH2-OD2 3.11Å; A296-D445 HydrophobicContact CB-CB 4.06Å; E442-D445 PolarHBondContact O-N 3.41Å; D445-T448 PolarHBondContact O-N 2.72Å; D445-T448 PolarHBondContact O-OG1 2.77Å; D445-L449 VanDerWaalsContact O-CB 3.24Å; D445-L449 WeakPolarHBondContact O-CB 3.41Å; D445-L449 WeakPolarHBondContact O-CD1 3.37Å; D445-L449 WeakPolarHBondContact O-CG 3.48Å; D445-L449 PolarHBondContact O-N 2.81Å
446	N	96.1	Very high	96.3	Very high	37 Å²	37	29.7 Å²	29.7	20%	0.198	13%	0.133	C	C	.	.	H	α-helix	trans	-66.4	-45	-179.7	-63.8	-13.4	0	0	0	111.1	R279 Y436 E442 A443 Y444 D450	R279-N446 PolarHBondContact NH1-OD1 3.37Å; Y436-N446 HydrophobicContact CD1-CB 4.43Å; Y436-N446 HydrophobicContact CE1-CB 4.4Å; E442-N446 PolarHBondContact O-N 2.87Å; E442-N446 PolarHBondContact O-ND2 2.97Å; E442-N446 PolarHBondContact O-OD1 3.48Å; A443-N446 PolarHBondContact O-N 3.24Å; Y444-N446 VanDerWaalsContact C-N 3.25Å; Y444-N446 PolarHBondContact O-N 2.65Å; N446-D450 VanDerWaalsContact O-CB 3.31Å; N446-D450 WeakPolarHBondContact O-CB 3.46Å; N446-D450 PolarHBondContact O-N 3.41Å; N446-D450 VanDerWaalsContact O-N 3.11Å
447	V	97.9	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-46	175.3	170.3	0	0	0	0	111.3	Y436 A443 Y444 D450 V451 L465 C501 V505	Y436-V447 HydrophobicContact CD1-CB 4.44Å; Y436-V447 HydrophobicContact CD1-CG2 3.38Å; Y436-V447 HydrophobicContact CD2-CG2 4.1Å; Y436-V447 HydrophobicContact CE1-CG2 3.93Å; Y436-V447 HydrophobicContact CG-CG2 3.49Å; Y436-V447 VanDerWaalsContact CG-CG2 3.49Å; A443-V447 WeakPolarHBondContact O-CG2 3.14Å; A443-V447 PolarHBondContact O-N 2.97Å; Y444-V447 PolarHBondContact O-N 2.9Å; V447-D450 PolarHBondContact O-N 3.09Å; V447-V451 HydrophobicContact CG1-CG2 4.49Å; V447-V451 WeakPolarHBondContact O-CB 3.49Å; V447-V451 VanDerWaalsContact O-CG2 3.3Å; V447-V451 WeakPolarHBondContact O-CG2 3.49Å; V447-V451 PolarHBondContact O-N 3.32Å; V447-L465 HydrophobicContact CG2-CD2 4.25Å; V447-C501 HydrophobicContact CG2-CB 4.29Å; V447-V505 HydrophobicContact CG1-CG2 3.46Å; V447-V505 VanDerWaalsContact CG1-CG2 3.46Å
448	T	96.9	Very high	95.7	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-71.2	-39.2	-174.9	60.3	0	0	0	0	113	Y444 D445 E452 Y504	Y444-T448 HydrophobicContact CD1-CG2 4.06Å; Y444-T448 HydrophobicContact CD2-CG2 4.09Å; Y444-T448 HydrophobicContact CE1-CG2 3.66Å; Y444-T448 HydrophobicContact CE2-CG2 3.7Å; Y444-T448 HydrophobicContact CG-CG2 4.26Å; Y444-T448 VanDerWaalsContact CZ-CG2 3.47Å; Y444-T448 VanDerWaalsContact O-CG2 3.32Å; Y444-T448 WeakPolarHBondContact O-CG2 3.48Å; Y444-T448 PolarHBondContact O-N 3.44Å; Y444-T448 PolarHBondContact O-OG1 2.73Å; Y444-T448 VanDerWaalsContact O-OG1 3.14Å; D445-T448 PolarHBondContact O-N 2.72Å; D445-T448 PolarHBondContact O-OG1 2.77Å; T448-E452 WeakPolarHBondContact O-CB 3.37Å; T448-E452 PolarHBondContact O-N 3.44Å; T448-Y504 HydrophobicContact CG2-CD1 3.63Å; T448-Y504 HydrophobicContact CG2-CD2 3.82Å; T448-Y504 HydrophobicContact CG2-CE1 3.66Å; T448-Y504 HydrophobicContact CG2-CE2 3.85Å; T448-Y504 HydrophobicContact CG2-CG 3.7Å
449	L	95.3	Very high	95.5	Very high	9 Å²	9	34.1 Å²	34.1	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-44.7	172.4	-73.3	166.2	0	0	0	112	A296 L297 L338 L339 D445 E452 L453	A296-L449 HydrophobicContact CB-CD1 4.06Å; A296-L449 HydrophobicContact CB-CD2 4.33Å; A296-L449 HydrophobicContact CB-CG 4.27Å; L297-L449 HydrophobicContact CD2-CD2 4.01Å; L338-L449 HydrophobicContact CB-CD2 4.38Å; L338-L449 HydrophobicContact CD2-CD1 3.68Å; L338-L449 HydrophobicContact CD2-CD2 4.07Å; L338-L449 HydrophobicContact CG-CD2 4.45Å; L339-L449 HydrophobicContact CD2-CB 4.19Å; L339-L449 HydrophobicContact CD2-CD2 4.02Å; L339-L449 HydrophobicContact CG-CD2 4.26Å; D445-L449 VanDerWaalsContact O-CB 3.24Å; D445-L449 WeakPolarHBondContact O-CB 3.41Å; D445-L449 WeakPolarHBondContact O-CD1 3.37Å; D445-L449 WeakPolarHBondContact O-CG 3.48Å; D445-L449 PolarHBondContact O-N 2.81Å; L449-E452 PolarHBondContact O-N 3.24Å; L449-L453 WeakPolarHBondContact O-CB 3.26Å; L449-L453 PolarHBondContact O-N 3.39Å
450	D	96.7	Very high	95.6	Very high	20 Å²	20	36.8 Å²	36.8	11%	0.107	17%	0.172	C	C	.	.	H	α-helix	trans	-71.4	-35.5	-176	-67	-11	0	0	0	112.2	L419 Y436 N446 V447 S454 F461	L419-D450 HydrophobicContact CD1-CB 4.3Å; L419-D450 WeakPolarHBondContact CD1-OD1 3.31Å; L419-D450 WeakPolarHBondContact CD1-OD2 3.31Å; L419-D450 HydrophobicContact CD2-CB 3.83Å; Y436-D450 WeakPolarHBondContact CE1-OD2 3.43Å; Y436-D450 VanDerWaalsContact CZ-OD2 3.29Å; Y436-D450 WeakPolarHBondContact OH-CB 3.43Å; Y436-D450 PolarHBondContact OH-OD2 3.15Å; N446-D450 VanDerWaalsContact O-CB 3.31Å; N446-D450 WeakPolarHBondContact O-CB 3.46Å; N446-D450 PolarHBondContact O-N 3.41Å; N446-D450 VanDerWaalsContact O-N 3.11Å; V447-D450 PolarHBondContact O-N 3.09Å; D450-S454 PolarHBondContact O-N 3.28Å; D450-F461 HydrophobicContact CB-CE2 3.82Å; D450-F461 HydrophobicContact CB-CZ 4.34Å
451	V	97.4	Very high	95.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.4	-50.5	170.1	165.4	0	0	0	0	110.6	V447 L453 S454 R455 F461 Y504 V505 E508	V447-V451 HydrophobicContact CG1-CG2 4.49Å; V447-V451 WeakPolarHBondContact O-CB 3.49Å; V447-V451 VanDerWaalsContact O-CG2 3.3Å; V447-V451 WeakPolarHBondContact O-CG2 3.49Å; V447-V451 PolarHBondContact O-N 3.32Å; V451-L453 VanDerWaalsContact C-N 3.31Å; V451-L453 PolarHBondContact O-N 3.18Å; V451-S454 PolarHBondContact O-N 2.87Å; V451-S454 VanDerWaalsContact O-N 3.14Å; V451-S454 PolarHBondContact O-OG 3.48Å; V451-R455 PolarHBondContact O-N 2.83Å; V451-F461 HydrophobicContact CG2-CD1 3.59Å; V451-F461 HydrophobicContact CG2-CD2 4.46Å; V451-F461 HydrophobicContact CG2-CE1 3.34Å; V451-F461 HydrophobicContact CG2-CE2 4.29Å; V451-F461 HydrophobicContact CG2-CG 4.14Å; V451-F461 HydrophobicContact CG2-CZ 3.73Å; V451-Y504 HydrophobicContact CB-CE1 3.88Å; V451-Y504 HydrophobicContact CG1-CE1 3.76Å; V451-Y504 HydrophobicContact CG2-CD1 4.43Å; V451-Y504 HydrophobicContact CG2-CE1 4.25Å; V451-V505 HydrophobicContact CG2-CG2 4.38Å; V451-E508 HydrophobicContact CG1-CB 4.02Å; V451-E508 HydrophobicContact CG1-CG 3.73Å
452	E	95.4	Very high	95.7	Very high	34 Å²	34	31.8 Å²	31.8	16%	0.159	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-40.2	178.4	173.1	65.5	-178.3	0	0	111.8	L297 L339 T448 L449 S454 R455 R456	L297-E452 HydrophobicContact CD2-CB 3.61Å; L297-E452 HydrophobicContact CD2-CG 3.77Å; L339-E452 HydrophobicContact CD1-CB 4.03Å; L339-E452 HydrophobicContact CD1-CG 3.57Å; T448-E452 WeakPolarHBondContact O-CB 3.37Å; T448-E452 PolarHBondContact O-N 3.44Å; L449-E452 PolarHBondContact O-N 3.24Å; E452-S454 PolarHBondContact O-N 2.78Å; E452-R455 WeakPolarHBondContact O-CB 3.48Å; E452-R455 PolarHBondContact O-N 2.91Å; E452-R455 IonicContact OE2-CZ 3.57Å; E452-R455 IonicContact OE2-NE 2.71Å; E452-R455 IonicContact OE2-NH1 2.85Å; E452-R455 PolarHBondContact OE2-NH1 3.06Å; E452-R456 WeakPolarHBondContact O-CG 3.39Å; E452-R456 PolarHBondContact O-N 3.2Å; E452-R456 IonicContact OE1-CZ 2.77Å; E452-R456 IonicContact OE1-NE 2.72Å; E452-R456 PolarHBondContact OE1-NE 2.94Å; E452-R456 IonicContact OE1-NH2 2.69Å; E452-R456 PolarHBondContact OE1-NH2 2.87Å
453	L	92.9	Very high	95.9	Very high	18 Å²	18	27.5 Å²	27.5	9%	0.094	13%	0.13	C	C	.	.	H	α-helix	trans	-60.3	-45.3	174.6	-175.1	63.5	0	0	0	111.4	L339 L449 V451 R455 R456 E457 W459	L339-L453 HydrophobicContact CB-CD1 4.47Å; L339-L453 HydrophobicContact CD1-CB 4.02Å; L339-L453 HydrophobicContact CD1-CD1 4.44Å; L339-L453 HydrophobicContact CD2-CB 4.11Å; L339-L453 HydrophobicContact CD2-CD1 4.41Å; L449-L453 WeakPolarHBondContact O-CB 3.26Å; L449-L453 PolarHBondContact O-N 3.39Å; V451-L453 VanDerWaalsContact C-N 3.31Å; V451-L453 PolarHBondContact O-N 3.18Å; L453-R455 VanDerWaalsContact C-N 3.29Å; L453-R455 PolarHBondContact O-N 3.42Å; L453-R456 PolarHBondContact O-N 3.33Å; L453-E457 PolarHBondContact O-N 2.81Å; L453-E457 VanDerWaalsContact O-N 3.16Å; L453-W459 HydrophobicContact CD2-CH2 4.38Å; L453-W459 HydrophobicContact CD2-CZ2 4.26Å; L453-W459 HydrophobicContact CG-CH2 3.92Å; L453-W459 HydrophobicContact CG-CZ2 3.9Å
454	S	95.8	Very high	95.9	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-35.6	175.8	77.1	0	0	0	0	113.2	D450 V451 E452 G458 W459	D450-S454 PolarHBondContact O-N 3.28Å; V451-S454 PolarHBondContact O-N 2.87Å; V451-S454 VanDerWaalsContact O-N 3.14Å; V451-S454 PolarHBondContact O-OG 3.48Å; E452-S454 PolarHBondContact O-N 2.78Å; S454-G458 WeakPolarHBondContact O-CA 3.42Å; S454-G458 PolarHBondContact O-N 3.26Å; S454-W459 PolarHBondContact O-N 3.24Å
455	R	94.5	Very high	95.9	Very high	105 Å²	105	25.9 Å²	25.9	40%	0.396	12%	0.123	S	C	.	.	H	α-helix	trans	-67.6	-46.6	177.6	-169	-171.7	-65.3	148.9	-9.7	111.4	V451 E452 L453 E457 E508	V451-R455 PolarHBondContact O-N 2.83Å; E452-R455 WeakPolarHBondContact O-CB 3.48Å; E452-R455 PolarHBondContact O-N 2.91Å; E452-R455 IonicContact OE2-CZ 3.57Å; E452-R455 IonicContact OE2-NE 2.71Å; E452-R455 IonicContact OE2-NH1 2.85Å; E452-R455 PolarHBondContact OE2-NH1 3.06Å; L453-R455 VanDerWaalsContact C-N 3.29Å; L453-R455 PolarHBondContact O-N 3.42Å; R455-E457 PolarHBondContact O-N 2.86Å; R455-E508 IonicContact CZ-OE2 2.74Å; R455-E508 VanDerWaalsContact CZ-OE2 3.31Å; R455-E508 IonicContact NE-OE2 3.2Å; R455-E508 PolarHBondContact NE-OE2 3.31Å; R455-E508 VanDerWaalsContact NE-OE2 3.1Å; R455-E508 IonicContact NH2-OE2 2.69Å; R455-E508 PolarHBondContact NH2-OE2 2.73Å
456	R	91.4	Very high	96	Very high	87 Å²	87	24.8 Å²	24.8	33%	0.328	12%	0.118	S	C	.	.	H	α-helix	trans	-63	-37.8	179.3	-73.4	178.5	-174.2	-165.4	7.3	113.8	D337 D340 E452 L453	D337-R456 VanDerWaalsContact CG-NH1 3.28Å; D337-R456 IonicContact OD1-CZ 3.71Å; D337-R456 IonicContact OD1-NH1 3.95Å; D337-R456 PolarHBondContact OD1-NH1 2.93Å; D337-R456 IonicContact OD1-NH2 3.2Å; D337-R456 IonicContact OD2-CZ 3.9Å; D337-R456 IonicContact OD2-NH1 2.66Å; D337-R456 PolarHBondContact OD2-NH1 2.93Å; D337-R456 IonicContact OD2-NH2 3.62Å; D337-R456 PolarHBondContact OD2-NH2 3.04Å; D340-R456 IonicContact OD1-NH1 3.49Å; E452-R456 WeakPolarHBondContact O-CG 3.39Å; E452-R456 PolarHBondContact O-N 3.2Å; E452-R456 IonicContact OE1-CZ 2.77Å; E452-R456 IonicContact OE1-NE 2.72Å; E452-R456 PolarHBondContact OE1-NE 2.94Å; E452-R456 IonicContact OE1-NH2 2.69Å; E452-R456 PolarHBondContact OE1-NH2 2.87Å; L453-R456 PolarHBondContact O-N 3.33Å
457	E	89.6	Confident	95.9	Very high	72 Å²	72	24.7 Å²	24.7	34%	0.336	12%	0.115	S	C	.	.	H	α-helix	trans	-103.2	-5.8	-175.6	-66.8	-161	-119.3	0	0	113.8	R423 L453 R455 W459	R423-E457 IonicContact CZ-OE1 3.12Å; R423-E457 IonicContact CZ-OE2 3.62Å; R423-E457 IonicContact NE-OE1 2.73Å; R423-E457 IonicContact NE-OE2 2.82Å; R423-E457 PolarHBondContact NE-OE2 2.9Å; R423-E457 IonicContact NH2-OE1 2.65Å; R423-E457 IonicContact NH2-OE2 3.52Å; R423-E457 PolarHBondContact NH2-OE2 3.08Å; L453-E457 PolarHBondContact O-N 2.81Å; L453-E457 VanDerWaalsContact O-N 3.16Å; R455-E457 PolarHBondContact O-N 2.86Å; E457-W459 HydrophobicContact CB-CD2 4.47Å; E457-W459 HydrophobicContact CB-CE3 3.48Å; E457-W459 VanDerWaalsContact CB-CE3 3.48Å; E457-W459 HydrophobicContact CB-CH2 3.69Å; E457-W459 HydrophobicContact CB-CZ3 3.04Å; E457-W459 HydrophobicContact CG-CH2 4.04Å; E457-W459 HydrophobicContact CG-CZ3 3.73Å; E457-W459 WeakPolarHBondContact OE1-CH2 3.23Å; E457-W459 WeakPolarHBondContact OE2-CZ3 3.36Å
458	G	93.8	Very high	95.6	Very high	30 Å²	30	26 Å²	26	31%	0.309	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	6.4	161.5	0	0	0	0	0	117.6	S454 K514	S454-G458 WeakPolarHBondContact O-CA 3.42Å; S454-G458 PolarHBondContact O-N 3.26Å; G458-K514 PolarHBondContact O-NZ 2.81Å
459	W	95.6	Very high	95.1	Very high	4 Å²	4	27 Å²	27	2%	0.015	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-81.9	169.4	175.3	64.4	79.2	0	0	0	112.9	R423 L453 S454 E457	R423-W459 HydrophobicContact CB-CD2 3.96Å; R423-W459 HydrophobicContact CB-CE3 3.73Å; R423-W459 HydrophobicContact CB-CH2 3.78Å; R423-W459 HydrophobicContact CB-CZ2 4.01Å; R423-W459 HydrophobicContact CB-CZ3 3.58Å; R423-W459 HydrophobicContact CG-CD2 4.34Å; R423-W459 HydrophobicContact CG-CE3 3.6Å; R423-W459 HydrophobicContact CG-CH2 3.79Å; R423-W459 HydrophobicContact CG-CZ2 4.5Å; R423-W459 HydrophobicContact CG-CZ3 3.23Å; L453-W459 HydrophobicContact CD2-CH2 4.38Å; L453-W459 HydrophobicContact CD2-CZ2 4.26Å; L453-W459 HydrophobicContact CG-CH2 3.92Å; L453-W459 HydrophobicContact CG-CZ2 3.9Å; S454-W459 PolarHBondContact O-N 3.24Å; E457-W459 HydrophobicContact CB-CD2 4.47Å; E457-W459 HydrophobicContact CB-CE3 3.48Å; E457-W459 VanDerWaalsContact CB-CE3 3.48Å; E457-W459 HydrophobicContact CB-CH2 3.69Å; E457-W459 HydrophobicContact CB-CZ3 3.04Å; E457-W459 HydrophobicContact CG-CH2 4.04Å; E457-W459 HydrophobicContact CG-CZ3 3.73Å; E457-W459 WeakPolarHBondContact OE1-CH2 3.23Å; E457-W459 WeakPolarHBondContact OE2-CZ3 3.36Å
460	Y	97.9	Very high	94.8	Very high	56 Å²	56	26.7 Å²	26.7	22%	0.22	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-86.9	126.4	178.2	-71.5	-106.7	0	0	0	111.7	N426 R427 E428 K514	N426-Y460 WeakPolarHBondContact CB-O 3.46Å; N426-Y460 PolarHBondContact ND2-O 2.82Å; N426-Y460 PolarHBondContact O-N 3.13Å; R427-Y460 WeakPolarHBondContact O-CD2 3.3Å; R427-Y460 WeakPolarHBondContact O-CE2 3.48Å; E428-Y460 WeakPolarHBondContact O-CE2 3.34Å; Y460-K514 CarbonylContact C-O 3.55Å; Y460-K514 WeakPolarHBondContact CA-O 3.3Å; Y460-K514 WeakPolarHBondContact CB-O 3.09Å; Y460-K514 HydrophobicContact CD1-CB 4.13Å; Y460-K514 HydrophobicContact CD1-CG 4.12Å; Y460-K514 WeakPolarHBondContact CD1-O 3.49Å; Y460-K514 HydrophobicContact CE1-CB 4.33Å; Y460-K514 HydrophobicContact CE1-CG 3.86Å
461	F	98.5	Very high	94.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.4	-179.4	-175.3	-115.8	0	0	0	111.8	P430 Y436 D450 V451 A463 V505 K514 A515 N516	P430-F461 WeakPolarHBondContact CG-O 3.5Å; Y436-F461 HydrophobicContact CE2-CE2 4.37Å; Y436-F461 AromaticContact CE2-CZ 3.78Å; Y436-F461 HydrophobicContact CE2-CZ 3.78Å; Y436-F461 AromaticContact CZ-CZ 3.87Å; Y436-F461 WeakPolarHBondContact OH-CE2 3.26Å; D450-F461 HydrophobicContact CB-CE2 3.82Å; D450-F461 HydrophobicContact CB-CZ 4.34Å; V451-F461 HydrophobicContact CG2-CD1 3.59Å; V451-F461 HydrophobicContact CG2-CD2 4.46Å; V451-F461 HydrophobicContact CG2-CE1 3.34Å; V451-F461 HydrophobicContact CG2-CE2 4.29Å; V451-F461 HydrophobicContact CG2-CG 4.14Å; V451-F461 HydrophobicContact CG2-CZ 3.73Å; F461-A463 HydrophobicContact CD1-CB 4.26Å; F461-A463 HydrophobicContact CE1-CB 3.53Å; F461-A463 HydrophobicContact CZ-CB 3.92Å; F461-V505 HydrophobicContact CD1-CG1 4.48Å; F461-V505 HydrophobicContact CE1-CG1 4.39Å; F461-V505 HydrophobicContact CE1-CG2 4.18Å; F461-K514 PolarHBondContact N-O 3.1Å; F461-A515 HydrophobicContact CB-CB 4.06Å; F461-A515 HydrophobicContact CD1-CB 4.13Å; F461-A515 CarbonylContact O-C 3.55Å; F461-A515 WeakPolarHBondContact O-CA 3.36Å; F461-N516 PolarHBondContact O-N 3.1Å
462	G	98.2	Very high	93.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	112.7	175.2	0	0	0	0	0	111.6	Q422 F433 N434	Q422-G462 PolarHBondContact NE2-O 2.76Å; F433-G462 WeakPolarHBondContact CA-O 3.26Å; N434-G462 PolarHBondContact N-O 2.69Å
463	A	98.4	Very high	93.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144	179.1	0	0	0	0	0	112.9	F433 N434 Y436 F461 N516 V517 M518	F433-A463 WeakPolarHBondContact CD1-O 3.25Å; N434-A463 CarbonylContact O-C 3.52Å; N434-A463 WeakPolarHBondContact O-CA 3.48Å; Y436-A463 HydrophobicContact CD2-CB 4.01Å; Y436-A463 HydrophobicContact CE2-CB 3.91Å; F461-A463 HydrophobicContact CD1-CB 4.26Å; F461-A463 HydrophobicContact CE1-CB 3.53Å; F461-A463 HydrophobicContact CZ-CB 3.92Å; A463-N516 PolarHBondContact N-O 3.25Å; A463-V517 HydrophobicContact CB-CG2 4.36Å; A463-V517 CarbonylContact O-C 3.55Å; A463-V517 WeakPolarHBondContact O-CA 3.37Å; A463-M518 PolarHBondContact O-N 2.64Å
464	K	98.4	Very high	93.6	Very high	15 Å²	15	35.2 Å²	35.2	7%	0.065	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.5	161.6	162.9	171.4	153.7	-170	0	108.4	M402 D404 N434 T435 Y436 V466 M518 A520	M402-K464 HydrophobicContact CE-CB 4.32Å; M402-K464 HydrophobicContact CE-CD 3.93Å; M402-K464 HydrophobicContact CG-CD 3.65Å; M402-K464 HydrophobicContact SD-CD 3.26Å; M402-K464 WeakPolarHBondContact SD-CD 3.44Å; M402-K464 HydrophobicContact SD-CG 4.48Å; D404-K464 IonicContact OD1-NZ 3.23Å; D404-K464 PolarHBondContact OD1-NZ 3.06Å; N434-K464 PolarHBondContact O-N 2.92Å; T435-K464 CarbonylContact C-O 3.45Å; T435-K464 WeakPolarHBondContact CA-O 3.25Å; T435-K464 HydrophobicContact CG2-CD 4.26Å; T435-K464 HydrophobicContact CG2-CG 4.11Å; Y436-K464 PolarHBondContact N-O 3.43Å; K464-V466 HydrophobicContact CD-CG1 4.42Å; K464-V466 HydrophobicContact CG-CG1 4.06Å; K464-M518 WeakPolarHBondContact CA-O 3.42Å; K464-M518 HydrophobicContact CB-CB 4.07Å; K464-M518 HydrophobicContact CB-CG 4.39Å; K464-M518 HydrophobicContact CG-CB 4.45Å; K464-M518 HydrophobicContact CG-CG 4.27Å; K464-A520 HydrophobicContact CD-CB 4.47Å; K464-A520 HydrophobicContact CG-CB 4.14Å
465	L	98.6	Very high	93.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.6	176.9	-57.3	-173.5	0	0	0	109.3	Y436 V447 Y498 C501 L502 V517 M518 A520	Y436-L465 HydrophobicContact CD2-CD2 4.21Å; Y436-L465 HydrophobicContact CG-CD2 4.32Å; V447-L465 HydrophobicContact CG2-CD2 4.25Å; L465-Y498 HydrophobicContact CB-CE1 4.34Å; L465-Y498 HydrophobicContact CB-CE2 3.86Å; L465-Y498 VanDerWaalsContact O-CE2 3.3Å; L465-Y498 WeakPolarHBondContact O-CE2 3.36Å; L465-Y498 PolarHBondContact O-OH 2.89Å; L465-C501 HydrophobicContact CD1-CB 4.21Å; L465-C501 HydrophobicContact CD2-CB 4.46Å; L465-L502 VanDerWaalsContact CD1-CA 3.47Å; L465-L502 HydrophobicContact CD1-CB 3.78Å; L465-L502 HydrophobicContact CD1-CD1 4.11Å; L465-V517 HydrophobicContact CD1-CG2 4.03Å; L465-V517 HydrophobicContact CG-CG2 3.91Å; L465-M518 PolarHBondContact N-O 3.35Å; L465-A520 WeakPolarHBondContact O-CB 3.45Å; L465-A520 PolarHBondContact O-N 3Å; L465-A520 VanDerWaalsContact O-N 3.14Å
466	V	96.8	Very high	93.3	Very high	27 Å²	27	36.3 Å²	36.3	16%	0.164	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	160.5	172.1	-64.6	0	0	0	0	109.8	T435 Y436 Q437 C438 K464 A520	T435-V466 HydrophobicContact CG2-CG1 4.28Å; T435-V466 HydrophobicContact CG2-CG2 3.72Å; Y436-V466 WeakPolarHBondContact O-CG2 3.27Å; Y436-V466 PolarHBondContact O-N 3.16Å; Q437-V466 HydrophobicContact CB-CG2 4.36Å; Q437-V466 HydrophobicContact CG-CG2 4.1Å; C438-V466 WeakPolarHBondContact CB-O 3.37Å; C438-V466 PolarHBondContact N-O 2.76Å; C438-V466 PolarHBondContact SG-O 2.67Å; K464-V466 HydrophobicContact CD-CG1 4.42Å; K464-V466 HydrophobicContact CG-CG1 4.06Å; V466-A520 HydrophobicContact CG1-CB 3.73Å
467	R	94.8	Very high	93.4	Very high	36 Å²	36	32.5 Å²	32.5	14%	0.136	16%	0.164	C	C	.	.			trans	-66.4	-68.1	164.9	-70.3	-175.8	176.1	69.9	7.1	109.7	Q437 C438 Y439 T494 N495 Y498 T521 T526	Q437-R467 CarbonylContact C-O 3.56Å; C438-R467 PolarHBondContact N-O 3.04Å; C438-R467 VanDerWaalsContact N-O 3.12Å; Y439-R467 WeakPolarHBondContact CB-O 3.44Å; Y439-R467 WeakPolarHBondContact CD1-O 3.28Å; Y439-R467 PolarHBondContact N-O 3.33Å; R467-T494 HydrophobicContact CB-CG2 4Å; R467-T494 HydrophobicContact CG-CG2 3.94Å; R467-N495 VanDerWaalsContact CZ-OD1 3.27Å; R467-N495 PolarHBondContact NE-OD1 3.11Å; R467-N495 PolarHBondContact NH2-OD1 3.36Å; R467-Y498 HydrophobicContact CG-CD2 4.23Å; R467-T521 PolarHBondContact NH1-OG1 3.38Å; R467-T526 PolarHBondContact NH2-OG1 3.48Å
468	G	90.6	Very high	93.6	Very high	27 Å²	27	29.1 Å²	29.1	28%	0.278	15%	0.149	S	C	.	.			trans	158.7	156.7	177.9	0	0	0	0	0	111.4
469	A	86.8	Confident	93.6	Very high	25 Å²	25	35.4 Å²	35.4	21%	0.207	17%	0.171	C	C	.	.	S	Bend	trans	-107.6	-14.9	-177.4	0	0	0	0	0	114.1	S220 A221	S220-A469 WeakPolarHBondContact OG-CB 3Å; A221-A469 HydrophobicContact CB-CB 3.9Å
470	Y	88.6	Confident	93.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.008	20%	0.196	C	C	.	.			trans	-112.8	10.3	-164.7	-53.5	-83.3	0	0	0	113.7	V218 A221 E406 Q407 Y472 Q473 E474	V218-Y470 HydrophobicContact CB-CD1 4.43Å; V218-Y470 HydrophobicContact CG1-CD1 3.9Å; V218-Y470 HydrophobicContact CG1-CE1 3.75Å; V218-Y470 HydrophobicContact CG2-CD1 3.61Å; V218-Y470 HydrophobicContact CG2-CE1 4.05Å; A221-Y470 HydrophobicContact CB-CE1 4.13Å; A221-Y470 HydrophobicContact CB-CE2 4.4Å; A221-Y470 VanDerWaalsContact CB-OH 3.26Å; A221-Y470 WeakPolarHBondContact CB-OH 3.34Å; E406-Y470 VanDerWaalsContact C-CE2 3.5Å; E406-Y470 WeakPolarHBondContact O-CE2 3.46Å; Q407-Y470 HydrophobicContact CG-CD1 3.93Å; Q407-Y470 HydrophobicContact CG-CE1 4.2Å; Q407-Y470 HydrophobicContact CG-CG 4.34Å; Q407-Y470 VanDerWaalsContact NE2-CE1 3.28Å; Y470-Y472 PolarHBondContact O-N 2.78Å; Y470-Y472 VanDerWaalsContact O-N 3.16Å; Y470-Q473 PolarHBondContact O-N 3.14Å; Y470-Q473 VanDerWaalsContact O-N 3.09Å; Y470-E474 WeakPolarHBondContact O-CG 3.49Å; Y470-E474 PolarHBondContact O-N 2.72Å
471	M	88.6	Confident	93.2	Very high	64 Å²	64	39 Å²	39	32%	0.315	19%	0.19	S	C	.	.	H	α-helix	trans	-47.3	-50.1	-168.8	-56	-169	63.6	0	0	114.7	Y439 R475 I487	Y439-M471 HydrophobicContact CD2-CB 4.19Å; Y439-M471 HydrophobicContact CD2-CG 3.55Å; Y439-M471 HydrophobicContact CE2-CB 4.46Å; Y439-M471 HydrophobicContact CE2-CG 4.09Å; Y439-M471 HydrophobicContact CG-CG 4.22Å; M471-R475 PolarHBondContact O-N 3.1Å; M471-I487 HydrophobicContact CB-CD1 4.24Å; M471-I487 HydrophobicContact CE-CD1 4.39Å; M471-I487 WeakPolarHBondContact O-CD1 3.38Å
472	Y	86.9	Confident	92.9	Very high	179 Å²	179	41.4 Å²	41.4	70%	0.702	22%	0.215	S	C	*	.	H	α-helix	trans	-68.4	-46.5	-178.3	-179.5	-95.3	0	0	0	111.8	Y470 E474 R475 A476	Y470-Y472 PolarHBondContact O-N 2.78Å; Y470-Y472 VanDerWaalsContact O-N 3.16Å; Y472-E474 PolarHBondContact O-N 3.09Å; Y472-R475 PolarHBondContact O-N 3.49Å; Y472-A476 WeakPolarHBondContact O-CB 3.44Å; Y472-A476 PolarHBondContact O-N 3.48Å
473	Q	88.8	Confident	92.5	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-59.4	-46.2	178.1	-177.4	179.7	79.4	0	0	111.2	R214 G216 V218 Y470 R477	R214-Q473 PolarHBondContact O-NE2 3.42Å; G216-Q473 PolarHBondContact O-NE2 3.16Å; V218-Q473 HydrophobicContact CG2-CB 4.34Å; Y470-Q473 PolarHBondContact O-N 3.14Å; Y470-Q473 VanDerWaalsContact O-N 3.09Å; Q473-R477 WeakPolarHBondContact O-CB 3.44Å; Q473-R477 PolarHBondContact O-N 2.93Å
474	E	92.3	Very high	92.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-44.9	-179.5	-69.2	-67.6	167.8	0	0	112.9	Q407 T408 Y439 Y470 Y472 R477 A478 I487	Q407-E474 WeakPolarHBondContact CA-OE1 3.48Å; Q407-E474 WeakPolarHBondContact CB-OE1 3.25Å; T408-E474 HydrophobicContact CG2-CG 3.92Å; T408-E474 WeakPolarHBondContact CG2-OE1 3.4Å; T408-E474 WeakPolarHBondContact CG2-OE2 3.45Å; T408-E474 PolarHBondContact N-OE1 2.9Å; T408-E474 VanDerWaalsContact OG1-CD 3.3Å; T408-E474 PolarHBondContact OG1-OE1 2.92Å; T408-E474 PolarHBondContact OG1-OE2 2.82Å; Y439-E474 HydrophobicContact CE2-CG 4.27Å; Y470-E474 WeakPolarHBondContact O-CG 3.49Å; Y470-E474 PolarHBondContact O-N 2.72Å; Y472-E474 PolarHBondContact O-N 3.09Å; E474-R477 PolarHBondContact O-N 2.9Å; E474-A478 WeakPolarHBondContact O-CB 3.28Å; E474-A478 PolarHBondContact O-N 3.45Å; E474-I487 HydrophobicContact CB-CG2 4.01Å
475	R	92.8	Very high	92.1	Very high	99 Å²	99	51.3 Å²	51.3	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-45	178.7	-179.5	168.5	-73.6	171.4	2.8	111.8	M471 Y472 R477 A478 Q479 D485 I487 N488 P489	M471-R475 PolarHBondContact O-N 3.1Å; Y472-R475 PolarHBondContact O-N 3.49Å; R475-R477 VanDerWaalsContact C-N 3.34Å; R475-R477 PolarHBondContact O-N 3.16Å; R475-A478 PolarHBondContact O-N 3.04Å; R475-Q479 PolarHBondContact O-N 3.01Å; R475-Q479 VanDerWaalsContact O-N 3.07Å; R475-D485 IonicContact CZ-OD2 3.98Å; R475-D485 IonicContact NE-OD2 2.81Å; R475-D485 PolarHBondContact NE-OD2 2.74Å; R475-D485 IonicContact NH2-OD2 3.98Å; R475-D485 PolarHBondContact NH2-OD2 3.12Å; R475-D485 VanDerWaalsContact NH2-OD2 3.14Å; R475-I487 HydrophobicContact CB-CD1 4.12Å; R475-N488 PolarHBondContact NH2-O 3.48Å; R475-P489 PolarHBondContact NH1-O 2.91Å; R475-P489 VanDerWaalsContact NH1-O 3.16Å; R475-P489 PolarHBondContact NH2-O 3.25Å; R475-P489 VanDerWaalsContact NH2-O 3.08Å
476	A	92.3	Very high	91.9	Very high	32 Å²	32	52.5 Å²	52.5	26%	0.264	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-43.8	175.7	0	0	0	0	0	111.5	Y472 Q479 E480	Y472-A476 WeakPolarHBondContact O-CB 3.44Å; Y472-A476 PolarHBondContact O-N 3.48Å; A476-Q479 PolarHBondContact O-N 3.47Å; A476-E480 WeakPolarHBondContact O-CB 3.22Å; A476-E480 PolarHBondContact O-N 3.44Å
477	R	92.8	Very high	91.9	Very high	6 Å²	6	51.4 Å²	51.4	2%	0.023	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-40.9	177.8	-172.5	178.1	-176.6	-84.1	6.4	112.7	K204 K206 F211 Q473 E474 R475 I481 Y483	K204-R477 PolarHBondContact O-NH1 2.95Å; K204-R477 PolarHBondContact O-NH2 2.88Å; K206-R477 PolarHBondContact O-NH2 2.65Å; K206-R477 VanDerWaalsContact O-NH2 3.08Å; F211-R477 HydrophobicContact CD1-CB 3.88Å; F211-R477 HydrophobicContact CD1-CG 4.06Å; F211-R477 HydrophobicContact CD2-CB 4.48Å; F211-R477 HydrophobicContact CD2-CG 3.96Å; F211-R477 HydrophobicContact CE1-CB 3.76Å; F211-R477 HydrophobicContact CE1-CG 4.27Å; F211-R477 HydrophobicContact CE2-CB 4.39Å; F211-R477 HydrophobicContact CE2-CG 4.18Å; F211-R477 HydrophobicContact CG-CB 4.25Å; F211-R477 HydrophobicContact CG-CG 3.9Å; F211-R477 HydrophobicContact CZ-CB 4.05Å; F211-R477 HydrophobicContact CZ-CG 4.34Å; Q473-R477 WeakPolarHBondContact O-CB 3.44Å; Q473-R477 PolarHBondContact O-N 2.93Å; E474-R477 PolarHBondContact O-N 2.9Å; R475-R477 VanDerWaalsContact C-N 3.34Å; R475-R477 PolarHBondContact O-N 3.16Å; R477-I481 HydrophobicContact CG-CD1 3.48Å; R477-I481 VanDerWaalsContact CG-CD1 3.48Å; R477-I481 WeakPolarHBondContact O-CB 3.3Å; R477-I481 PolarHBondContact O-N 2.93Å; R477-I481 VanDerWaalsContact O-N 3.16Å; R477-Y483 HydrophobicContact CG-CE1 4.17Å; R477-Y483 WeakPolarHBondContact CG-OH 3.42Å; R477-Y483 PolarHBondContact NH1-OH 2.92Å; R477-Y483 WeakPolarHBondContact O-CE1 3.2Å
478	A	93.9	Very high	92.1	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-43.3	175.7	0	0	0	0	0	112.3	E474 R475 G482 Y483 D485	E474-A478 WeakPolarHBondContact O-CB 3.28Å; E474-A478 PolarHBondContact O-N 3.45Å; R475-A478 PolarHBondContact O-N 3.04Å; A478-G482 WeakPolarHBondContact O-CA 3.28Å; A478-G482 PolarHBondContact O-N 3.47Å; A478-Y483 HydrophobicContact CB-CD2 3.96Å; A478-Y483 HydrophobicContact CB-CE1 4.41Å; A478-Y483 HydrophobicContact CB-CE2 3.61Å; A478-Y483 HydrophobicContact CB-CG 4.47Å; A478-Y483 PolarHBondContact O-N 2.99Å; A478-D485 HydrophobicContact CB-CB 4.41Å
479	Q	94.5	Very high	92.3	Very high	162 Å²	162	53.1 Å²	53.1	76%	0.757	27%	0.272	S	S	*	.	H	α-helix	trans	-63.8	-51.6	177.7	-179.4	175.7	-9.1	0	0	112.2	R475 A476 G482	R475-Q479 PolarHBondContact O-N 3.01Å; R475-Q479 VanDerWaalsContact O-N 3.07Å; A476-Q479 PolarHBondContact O-N 3.47Å; Q479-G482 PolarHBondContact O-N 2.91Å
480	E	92.6	Very high	92.7	Very high	117 Å²	117	55.4 Å²	55.4	55%	0.547	28%	0.281	S	S	.	.	H	α-helix	trans	-63.5	-49.2	-175.9	-173.5	64.2	-131.3	0	0	112.3	F211 A476 G482	F211-E480 HydrophobicContact CE2-CB 3.92Å; F211-E480 HydrophobicContact CE2-CG 3.9Å; F211-E480 HydrophobicContact CZ-CB 3.81Å; F211-E480 HydrophobicContact CZ-CG 4.09Å; A476-E480 WeakPolarHBondContact O-CB 3.22Å; A476-E480 PolarHBondContact O-N 3.44Å; E480-G482 VanDerWaalsContact C-N 3.31Å; E480-G482 PolarHBondContact O-N 2.88Å
481	I	91.3	Very high	92.8	Very high	17 Å²	17	60.3 Å²	60.3	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-78.2	-21.5	-176.7	-65.6	161.8	0	0	0	111.3	K203 H208 F211 R477 Y483	K203-I481 HydrophobicContact CB-CG2 3.54Å; K203-I481 HydrophobicContact CD-CG2 3.98Å; K203-I481 WeakPolarHBondContact CD-O 3.39Å; K203-I481 HydrophobicContact CG-CG2 4.4Å; K203-I481 PolarHBondContact NZ-O 3.11Å; H208-I481 HydrophobicContact CB-CD1 4.11Å; H208-I481 WeakPolarHBondContact CD2-CD1 3.2Å; F211-I481 HydrophobicContact CD2-CD1 4.11Å; F211-I481 HydrophobicContact CE2-CD1 4.21Å; F211-I481 HydrophobicContact CE2-CG1 4.37Å; R477-I481 HydrophobicContact CG-CD1 3.48Å; R477-I481 VanDerWaalsContact CG-CD1 3.48Å; R477-I481 WeakPolarHBondContact O-CB 3.3Å; R477-I481 PolarHBondContact O-N 2.93Å; R477-I481 VanDerWaalsContact O-N 3.16Å; I481-Y483 HydrophobicContact CB-CD1 3.92Å; I481-Y483 HydrophobicContact CB-CE1 4.04Å; I481-Y483 HydrophobicContact CD1-CE1 4.12Å; I481-Y483 HydrophobicContact CG2-CD1 3.81Å; I481-Y483 HydrophobicContact CG2-CE1 4.22Å
482	G	92.1	Very high	93.1	Very high	52 Å²	52	62 Å²	62	54%	0.536	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	54.6	-179.6	0	0	0	0	0	113	A478 Q479 E480	A478-G482 WeakPolarHBondContact O-CA 3.28Å; A478-G482 PolarHBondContact O-N 3.47Å; Q479-G482 PolarHBondContact O-N 2.91Å; E480-G482 VanDerWaalsContact C-N 3.31Å; E480-G482 PolarHBondContact O-N 2.88Å
483	Y	91.6	Very high	93.7	Very high	40 Å²	40	54 Å²	54	16%	0.157	28%	0.278	C	S	.	.			trans	-118.8	172.3	164.3	65.5	-94	0	0	0	110.6	K204 R477 A478 I481	K204-Y483 HydrophobicContact CB-CD1 4.14Å; K204-Y483 HydrophobicContact CB-CD2 4.13Å; K204-Y483 HydrophobicContact CB-CE1 4.31Å; K204-Y483 HydrophobicContact CB-CE2 4.33Å; K204-Y483 HydrophobicContact CB-CG 4.06Å; K204-Y483 HydrophobicContact CD-CD2 4.28Å; K204-Y483 HydrophobicContact CD-CE2 4.14Å; K204-Y483 HydrophobicContact CG-CD2 4.14Å; K204-Y483 HydrophobicContact CG-CE1 4.39Å; K204-Y483 HydrophobicContact CG-CE2 3.9Å; R477-Y483 HydrophobicContact CG-CE1 4.17Å; R477-Y483 WeakPolarHBondContact CG-OH 3.42Å; R477-Y483 PolarHBondContact NH1-OH 2.92Å; R477-Y483 WeakPolarHBondContact O-CE1 3.2Å; A478-Y483 HydrophobicContact CB-CD2 3.96Å; A478-Y483 HydrophobicContact CB-CE1 4.41Å; A478-Y483 HydrophobicContact CB-CE2 3.61Å; A478-Y483 HydrophobicContact CB-CG 4.47Å; A478-Y483 PolarHBondContact O-N 2.99Å; I481-Y483 HydrophobicContact CB-CD1 3.92Å; I481-Y483 HydrophobicContact CB-CE1 4.04Å; I481-Y483 HydrophobicContact CD1-CE1 4.12Å; I481-Y483 HydrophobicContact CG2-CD1 3.81Å; I481-Y483 HydrophobicContact CG2-CE1 4.22Å
484	E	92.5	Very high	94.1	Very high	143 Å²	143	53.7 Å²	53.7	67%	0.668	28%	0.277	S	S	*	.			trans	-69.2	132.8	-179.1	-171.5	-178	156.9	0	0	111.3	K441 P486	K441-E484 IonicContact NZ-OE1 3.44Å; K441-E484 PolarHBondContact NZ-OE1 2.96Å; E484-P486 VanDerWaalsContact O-CD 3.28Å; E484-P486 WeakPolarHBondContact O-CD 3.34Å; E484-P486 VanDerWaalsContact O-N 3.13Å
485	D	95.1	Very high	94.3	Very high	39 Å²	39	54 Å²	54	21%	0.209	28%	0.278	C	S	.	.			trans	-56.1	115.2	171.5	-176.4	0.6	0	0	0	109.7	K441 R475 A478 I487	K441-D485 VanDerWaalsContact CE-O 3.3Å; K441-D485 WeakPolarHBondContact CE-O 3.29Å; K441-D485 PolarHBondContact NZ-O 3.2Å; R475-D485 IonicContact CZ-OD2 3.98Å; R475-D485 IonicContact NE-OD2 2.81Å; R475-D485 PolarHBondContact NE-OD2 2.74Å; R475-D485 IonicContact NH2-OD2 3.98Å; R475-D485 PolarHBondContact NH2-OD2 3.12Å; R475-D485 VanDerWaalsContact NH2-OD2 3.14Å; A478-D485 HydrophobicContact CB-CB 4.41Å; D485-I487 PolarHBondContact O-N 2.9Å; D485-I487 WeakPolarHBondContact OD1-CG1 3.3Å; D485-I487 PolarHBondContact OD1-N 2.88Å
486	P	95.1	Very high	94.6	Very high	26 Å²	26	56.2 Å²	56.2	17%	0.169	29%	0.287	C	S	.	.			trans	-76.1	-8.8	-177	31.5	-34.8	0	0	0	113	T408 L440 K441 E484	T408-P486 HydrophobicContact CG2-CB 4.34Å; T408-P486 HydrophobicContact CG2-CG 3.96Å; L440-P486 HydrophobicContact CD2-CB 4.42Å; K441-P486 PolarHBondContact N-O 3.49Å; E484-P486 VanDerWaalsContact O-CD 3.28Å; E484-P486 WeakPolarHBondContact O-CD 3.34Å; E484-P486 VanDerWaalsContact O-N 3.13Å
487	I	96.6	Very high	94.9	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-99.4	157.7	-169.9	92.9	-173.6	0	0	0	112.3	Y439 L440 K441 M471 E474 R475 D485	Y439-I487 HydrophobicContact CD2-CB 3.73Å; Y439-I487 HydrophobicContact CD2-CD1 4.38Å; Y439-I487 HydrophobicContact CD2-CG2 3.5Å; Y439-I487 HydrophobicContact CE2-CB 4.22Å; Y439-I487 HydrophobicContact CE2-CG2 3.44Å; Y439-I487 VanDerWaalsContact CE2-CG2 3.44Å; Y439-I487 HydrophobicContact CG-CB 4.49Å; Y439-I487 CarbonylContact O-C 3.49Å; Y439-I487 WeakPolarHBondContact O-CA 3.08Å; Y439-I487 WeakPolarHBondContact O-CB 3.35Å; L440-I487 HydrophobicContact CD2-CG2 4.28Å; K441-I487 WeakPolarHBondContact CE-O 3.46Å; M471-I487 HydrophobicContact CB-CD1 4.24Å; M471-I487 HydrophobicContact CE-CD1 4.39Å; M471-I487 WeakPolarHBondContact O-CD1 3.38Å; E474-I487 HydrophobicContact CB-CG2 4.01Å; R475-I487 HydrophobicContact CB-CD1 4.12Å; D485-I487 PolarHBondContact O-N 2.9Å; D485-I487 WeakPolarHBondContact OD1-CG1 3.3Å; D485-I487 PolarHBondContact OD1-N 2.88Å
488	N	97.5	Very high	95.2	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.07	28%	0.28	C	S	.	.			trans	-62.4	146.8	174.9	-72.1	-43.5	0	0	0	110.7	C438 Y439 L440 R475 D490 A493	C438-N488 PolarHBondContact O-ND2 3.03Å; Y439-N488 PolarHBondContact O-N 3.15Å; Y439-N488 PolarHBondContact O-ND2 2.91Å; L440-N488 PolarHBondContact O-ND2 3.23Å; R475-N488 PolarHBondContact NH2-O 3.48Å; N488-D490 VanDerWaalsContact C-N 3.3Å; N488-D490 PolarHBondContact O-N 3.44Å; N488-A493 HydrophobicContact CB-CB 4Å
489	P	95.8	Very high	95.4	Very high	85 Å²	85	58.6 Å²	58.6	55%	0.552	29%	0.293	S	S	*	.	S	Bend	trans	-57.4	-43.1	-170.8	20.5	-32.7	0	0	0	112.8	R475 A493	R475-P489 PolarHBondContact NH1-O 2.91Å; R475-P489 VanDerWaalsContact NH1-O 3.16Å; R475-P489 PolarHBondContact NH2-O 3.25Å; R475-P489 VanDerWaalsContact NH2-O 3.08Å; P489-A493 HydrophobicContact CG-CB 3.85Å
490	D	94.3	Very high	95.6	Very high	73 Å²	73	55.7 Å²	55.7	39%	0.39	28%	0.277	S	S	.	.	S	Bend	trans	-140.6	177.1	-172.7	64	72.7	0	0	0	113.5	N488 E492 A493 T494	N488-D490 VanDerWaalsContact C-N 3.3Å; N488-D490 PolarHBondContact O-N 3.44Å; D490-E492 WeakPolarHBondContact OD1-CA 3.49Å; D490-E492 WeakPolarHBondContact OD1-CB 3.4Å; D490-E492 PolarHBondContact OD1-N 2.9Å; D490-A493 PolarHBondContact OD1-N 3.29Å; D490-T494 PolarHBondContact O-N 3.08Å; D490-T494 VanDerWaalsContact O-N 3.13Å; D490-T494 PolarHBondContact O-OG1 2.92Å; D490-T494 VanDerWaalsContact O-OG1 3.08Å
491	Y	91.6	Very high	95.9	Very high	106 Å²	106	50.1 Å²	50.1	42%	0.416	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-37.6	179.9	178.7	-107.9	0	0	0	112.9	T494 N495 N523	Y491-T494 WeakPolarHBondContact O-CB 3.09Å; Y491-T494 PolarHBondContact O-N 3.42Å; Y491-N495 WeakPolarHBondContact CD1-ND2 3.34Å; Y491-N495 WeakPolarHBondContact CE1-ND2 3.32Å; Y491-N495 VanDerWaalsContact O-CG 3.26Å; Y491-N495 PolarHBondContact O-N 3.37Å; Y491-N495 PolarHBondContact O-ND2 2.69Å; Y491-N523 PolarHBondContact OH-ND2 3.31Å; Y491-N523 VanDerWaalsContact OH-ND2 3.14Å
492	E	95.9	Very high	96.2	Very high	100 Å²	100	49.3 Å²	49.3	47%	0.467	25%	0.247	S	C	.	.	H	α-helix	trans	-77.3	-33	-178.5	-58.6	-54.7	156	0	0	112	D490 T494 N495 R496	D490-E492 WeakPolarHBondContact OD1-CA 3.49Å; D490-E492 WeakPolarHBondContact OD1-CB 3.4Å; D490-E492 PolarHBondContact OD1-N 2.9Å; E492-T494 VanDerWaalsContact C-N 3.27Å; E492-T494 PolarHBondContact O-N 2.85Å; E492-N495 PolarHBondContact O-N 3.44Å; E492-N495 PolarHBondContact OE2-ND2 3.24Å; E492-R496 VanDerWaalsContact C-NH1 3.31Å; E492-R496 WeakPolarHBondContact O-CG 3.48Å; E492-R496 PolarHBondContact O-N 3.07Å; E492-R496 PolarHBondContact O-NH1 2.82Å
493	A	97.9	Very high	96.5	Very high	10 Å²	10	49.6 Å²	49.6	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-60.5	-39.4	167.2	0	0	0	0	0	111.3	N488 P489 D490 M497	N488-A493 HydrophobicContact CB-CB 4Å; P489-A493 HydrophobicContact CG-CB 3.85Å; D490-A493 PolarHBondContact OD1-N 3.29Å; A493-M497 WeakPolarHBondContact O-CB 3.48Å; A493-M497 PolarHBondContact O-N 3.24Å
494	T	97.3	Very high	96.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-65.9	-39.4	172.7	-60	0	0	0	0	112.3	R467 D490 Y491 E492 M497 Y498	R467-T494 HydrophobicContact CB-CG2 4Å; R467-T494 HydrophobicContact CG-CG2 3.94Å; D490-T494 PolarHBondContact O-N 3.08Å; D490-T494 VanDerWaalsContact O-N 3.13Å; D490-T494 PolarHBondContact O-OG1 2.92Å; D490-T494 VanDerWaalsContact O-OG1 3.08Å; Y491-T494 WeakPolarHBondContact O-CB 3.09Å; Y491-T494 PolarHBondContact O-N 3.42Å; E492-T494 VanDerWaalsContact C-N 3.27Å; E492-T494 PolarHBondContact O-N 2.85Å; T494-M497 PolarHBondContact O-N 2.76Å; T494-Y498 WeakPolarHBondContact O-CB 3.17Å; T494-Y498 PolarHBondContact O-N 3.4Å
495	N	96.9	Very high	97.1	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-47	174.7	-66.3	-27.4	0	0	0	111.7	R467 Y491 E492 M497 Y498 H499	R467-N495 VanDerWaalsContact CZ-OD1 3.27Å; R467-N495 PolarHBondContact NE-OD1 3.11Å; R467-N495 PolarHBondContact NH2-OD1 3.36Å; Y491-N495 WeakPolarHBondContact CD1-ND2 3.34Å; Y491-N495 WeakPolarHBondContact CE1-ND2 3.32Å; Y491-N495 VanDerWaalsContact O-CG 3.26Å; Y491-N495 PolarHBondContact O-N 3.37Å; Y491-N495 PolarHBondContact O-ND2 2.69Å; E492-N495 PolarHBondContact O-N 3.44Å; E492-N495 PolarHBondContact OE2-ND2 3.24Å; N495-M497 VanDerWaalsContact C-N 3.34Å; N495-M497 PolarHBondContact O-N 2.91Å; N495-Y498 WeakPolarHBondContact O-CB 3.37Å; N495-Y498 PolarHBondContact O-N 2.89Å; N495-H499 PolarHBondContact O-N 2.79Å
496	R	98.5	Very high	97.3	Very high	146 Å²	146	40.5 Å²	40.5	55%	0.551	19%	0.191	S	C	*	.	H	α-helix	trans	-59.6	-43.4	175.5	-70.8	-172.6	-59.6	-83	5.2	111.8	E492 H499 K500	E492-R496 VanDerWaalsContact C-NH1 3.31Å; E492-R496 WeakPolarHBondContact O-CG 3.48Å; E492-R496 PolarHBondContact O-N 3.07Å; E492-R496 PolarHBondContact O-NH1 2.82Å; R496-H499 PolarHBondContact O-N 2.83Å; R496-K500 VanDerWaalsContact O-CB 3.31Å; R496-K500 WeakPolarHBondContact O-CB 3.43Å; R496-K500 PolarHBondContact O-N 2.78Å
497	M	98.6	Very high	97.4	Very high	30 Å²	30	42.9 Å²	42.9	15%	0.148	20%	0.2	C	C	.	.	H	α-helix	trans	-61.7	-42.8	175.1	-175.2	65.1	78.2	0	0	111.7	C438 K441 A443 A493 T494 N495 K500 C501	C438-M497 HydrophobicContact CB-CG 4.3Å; C438-M497 VanDerWaalsContact O-CB 3.32Å; C438-M497 WeakPolarHBondContact O-CB 3.3Å; C438-M497 WeakPolarHBondContact O-CG 3.31Å; K441-M497 VanDerWaalsContact O-CE 3.29Å; K441-M497 WeakPolarHBondContact O-CE 3.17Å; A443-M497 HydrophobicContact CB-CG 3.94Å; A443-M497 HydrophobicContact CB-SD 4.17Å; A493-M497 WeakPolarHBondContact O-CB 3.48Å; A493-M497 PolarHBondContact O-N 3.24Å; T494-M497 PolarHBondContact O-N 2.76Å; N495-M497 VanDerWaalsContact C-N 3.34Å; N495-M497 PolarHBondContact O-N 2.91Å; M497-K500 PolarHBondContact O-N 2.97Å; M497-C501 WeakPolarHBondContact O-CB 3.41Å; M497-C501 PolarHBondContact O-N 3.49Å; M497-C501 PolarHBondContact O-SG 3.02Å
498	Y	98.8	Very high	97.4	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.9	-51.2	176.6	-168.2	-72.7	0	0	0	111.7	C438 L465 R467 T494 N495 K500 C501 L502 V519 A520 T526	C438-Y498 HydrophobicContact CB-CD2 3.83Å; C438-Y498 HydrophobicContact CB-CG 4.2Å; L465-Y498 HydrophobicContact CB-CE1 4.34Å; L465-Y498 HydrophobicContact CB-CE2 3.86Å; L465-Y498 VanDerWaalsContact O-CE2 3.3Å; L465-Y498 WeakPolarHBondContact O-CE2 3.36Å; L465-Y498 PolarHBondContact O-OH 2.89Å; R467-Y498 HydrophobicContact CG-CD2 4.23Å; T494-Y498 WeakPolarHBondContact O-CB 3.17Å; T494-Y498 PolarHBondContact O-N 3.4Å; N495-Y498 WeakPolarHBondContact O-CB 3.37Å; N495-Y498 PolarHBondContact O-N 2.89Å; Y498-K500 VanDerWaalsContact C-N 3.34Å; Y498-K500 PolarHBondContact O-N 3.27Å; Y498-C501 PolarHBondContact O-N 3.18Å; Y498-L502 HydrophobicContact CE1-CD2 4.34Å; Y498-L502 WeakPolarHBondContact O-CB 3.48Å; Y498-L502 PolarHBondContact O-N 3.38Å; Y498-V519 HydrophobicContact CE1-CG1 4.18Å; Y498-V519 WeakPolarHBondContact OH-CA 3.46Å; Y498-V519 WeakPolarHBondContact OH-CG1 3.35Å; Y498-A520 PolarHBondContact OH-N 3.39Å; Y498-T526 HydrophobicContact CD1-CG2 3.55Å; Y498-T526 HydrophobicContact CE1-CG2 3.36Å
499	H	98.8	Very high	97.4	Very high	59 Å²	59	42.3 Å²	42.3	27%	0.273	20%	0.197	S	C	.	.	H	α-helix	trans	-60.4	-42.7	178.4	-65.4	160	0	0	0	111.7	N495 R496 C501 L502 E503 F529	N495-H499 PolarHBondContact O-N 2.79Å; R496-H499 PolarHBondContact O-N 2.83Å; H499-C501 PolarHBondContact O-N 3.17Å; H499-L502 PolarHBondContact O-N 3.37Å; H499-E503 WeakPolarHBondContact O-CB 3.35Å; H499-E503 PolarHBondContact O-N 3.23Å; H499-F529 HydrophobicContact CB-CD1 4.32Å; H499-F529 HydrophobicContact CB-CE1 3.82Å; H499-F529 HydrophobicContact CB-CZ 3.93Å; H499-F529 AromaticContact CD2-CD1 3.59Å; H499-F529 AromaticContact CD2-CE1 3.98Å; H499-F529 AromaticContact CD2-CG 4Å; H499-F529 AromaticContact CG-CD1 3.98Å; H499-F529 AromaticContact CG-CE1 3.99Å
500	K	98.5	Very high	97.4	Very high	101 Å²	101	41.7 Å²	41.7	44%	0.439	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-39.1	177.4	-160	-163.4	179.4	-157.5	0	113	Y444 R496 M497 Y498 Y504	Y444-K500 HydrophobicContact CD1-CD 4.39Å; Y444-K500 HydrophobicContact CD2-CB 4.25Å; Y444-K500 HydrophobicContact CD2-CD 3.5Å; Y444-K500 HydrophobicContact CD2-CG 3.67Å; Y444-K500 HydrophobicContact CE2-CD 3.66Å; Y444-K500 VanDerWaalsContact CE2-CE 3.45Å; Y444-K500 HydrophobicContact CE2-CG 3.61Å; Y444-K500 HydrophobicContact CG-CD 3.89Å; Y444-K500 VanDerWaalsContact CZ-CE 3.45Å; R496-K500 VanDerWaalsContact O-CB 3.31Å; R496-K500 WeakPolarHBondContact O-CB 3.43Å; R496-K500 PolarHBondContact O-N 2.78Å; M497-K500 PolarHBondContact O-N 2.97Å; Y498-K500 VanDerWaalsContact C-N 3.34Å; Y498-K500 PolarHBondContact O-N 3.27Å; K500-Y504 PolarHBondContact O-N 3.08Å
501	C	98.7	Very high	97.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.8	-39.7	174.4	-64.3	0	0	0	0	111.7	V447 L465 M497 Y498 H499 V505	V447-C501 HydrophobicContact CG2-CB 4.29Å; L465-C501 HydrophobicContact CD1-CB 4.21Å; L465-C501 HydrophobicContact CD2-CB 4.46Å; M497-C501 WeakPolarHBondContact O-CB 3.41Å; M497-C501 PolarHBondContact O-N 3.49Å; M497-C501 PolarHBondContact O-SG 3.02Å; Y498-C501 PolarHBondContact O-N 3.18Å; H499-C501 PolarHBondContact O-N 3.17Å; C501-V505 WeakPolarHBondContact O-CG2 3.25Å; C501-V505 PolarHBondContact O-N 3.16Å
502	L	98.7	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-48.6	179.4	175.6	61.7	0	0	0	111.6	L465 Y498 H499 Y504 V505 L506 V517 V519 F529 T530	L465-L502 VanDerWaalsContact CD1-CA 3.47Å; L465-L502 HydrophobicContact CD1-CB 3.78Å; L465-L502 HydrophobicContact CD1-CD1 4.11Å; Y498-L502 HydrophobicContact CE1-CD2 4.34Å; Y498-L502 WeakPolarHBondContact O-CB 3.48Å; Y498-L502 PolarHBondContact O-N 3.38Å; H499-L502 PolarHBondContact O-N 3.37Å; L502-Y504 VanDerWaalsContact C-N 3.35Å; L502-Y504 PolarHBondContact O-N 3.14Å; L502-V505 PolarHBondContact O-N 3.46Å; L502-V505 VanDerWaalsContact O-N 3.11Å; L502-L506 HydrophobicContact CD1-CD1 4.03Å; L502-L506 HydrophobicContact CD1-CD2 4.36Å; L502-L506 HydrophobicContact CD1-CG 3.94Å; L502-L506 HydrophobicContact CD2-CD1 4.46Å; L502-L506 HydrophobicContact CG-CD1 3.86Å; L502-L506 HydrophobicContact CG-CG 4.21Å; L502-L506 WeakPolarHBondContact O-CG 3.37Å; L502-L506 PolarHBondContact O-N 2.84Å; L502-V517 HydrophobicContact CD1-CG1 4.3Å; L502-V517 HydrophobicContact CD1-CG2 4.33Å; L502-V519 HydrophobicContact CD1-CG2 3.78Å; L502-V519 HydrophobicContact CD2-CG1 4.49Å; L502-F529 HydrophobicContact CD2-CD1 4.11Å; L502-F529 HydrophobicContact CD2-CE1 4.24Å; L502-T530 HydrophobicContact CD2-CG2 4.28Å; L502-T530 WeakPolarHBondContact CD2-OG1 3.44Å
503	E	98.4	Very high	97.4	Very high	59 Å²	59	42.6 Å²	42.6	28%	0.276	19%	0.191	S	C	.	.	H	α-helix	trans	-56.1	-47.7	-179.4	-172.6	159.5	-135.5	0	0	111.2	H499 V505 L506 E507 K533	H499-E503 WeakPolarHBondContact O-CB 3.35Å; H499-E503 PolarHBondContact O-N 3.23Å; E503-V505 VanDerWaalsContact C-N 3.32Å; E503-V505 PolarHBondContact O-N 2.93Å; E503-L506 PolarHBondContact O-N 3.14Å; E503-L506 VanDerWaalsContact O-N 3.11Å; E503-E507 WeakPolarHBondContact O-CG 3.41Å; E503-E507 PolarHBondContact O-N 3.41Å; E503-K533 HydrophobicContact CG-CD 4.48Å; E503-K533 WeakPolarHBondContact OE1-CE 3.49Å; E503-K533 IonicContact OE1-NZ 3.57Å; E503-K533 PolarHBondContact OE1-NZ 2.79Å
504	Y	98.3	Very high	97.3	Very high	31 Å²	31	45.9 Å²	45.9	12%	0.122	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-36.1	176.6	-169.9	-90.8	0	0	0	114	T448 V451 K500 L502 E508	T448-Y504 HydrophobicContact CG2-CD1 3.63Å; T448-Y504 HydrophobicContact CG2-CD2 3.82Å; T448-Y504 HydrophobicContact CG2-CE1 3.66Å; T448-Y504 HydrophobicContact CG2-CE2 3.85Å; T448-Y504 HydrophobicContact CG2-CG 3.7Å; V451-Y504 HydrophobicContact CB-CE1 3.88Å; V451-Y504 HydrophobicContact CG1-CE1 3.76Å; V451-Y504 HydrophobicContact CG2-CD1 4.43Å; V451-Y504 HydrophobicContact CG2-CE1 4.25Å; K500-Y504 PolarHBondContact O-N 3.08Å; L502-Y504 VanDerWaalsContact C-N 3.35Å; L502-Y504 PolarHBondContact O-N 3.14Å; Y504-E508 PolarHBondContact O-N 2.91Å; Y504-E508 VanDerWaalsContact O-N 3.13Å
505	V	98.5	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-76.8	-32.6	176.6	-178.4	0	0	0	0	111.3	V447 V451 F461 C501 L502 E503 E508 I509 A515 V517	V447-V505 HydrophobicContact CG1-CG2 3.46Å; V447-V505 VanDerWaalsContact CG1-CG2 3.46Å; V451-V505 HydrophobicContact CG2-CG2 4.38Å; F461-V505 HydrophobicContact CD1-CG1 4.48Å; F461-V505 HydrophobicContact CE1-CG1 4.39Å; F461-V505 HydrophobicContact CE1-CG2 4.18Å; C501-V505 WeakPolarHBondContact O-CG2 3.25Å; C501-V505 PolarHBondContact O-N 3.16Å; L502-V505 PolarHBondContact O-N 3.46Å; L502-V505 VanDerWaalsContact O-N 3.11Å; E503-V505 VanDerWaalsContact C-N 3.32Å; E503-V505 PolarHBondContact O-N 2.93Å; V505-E508 PolarHBondContact O-N 3.29Å; V505-I509 HydrophobicContact CG1-CD1 4.43Å; V505-I509 VanDerWaalsContact O-CG1 3.27Å; V505-I509 WeakPolarHBondContact O-CG1 3.26Å; V505-I509 PolarHBondContact O-N 3.05Å; V505-A515 HydrophobicContact CG1-CB 4.37Å; V505-V517 HydrophobicContact CG1-CB 3.76Å; V505-V517 HydrophobicContact CG1-CG1 4.37Å; V505-V517 HydrophobicContact CG1-CG2 4.09Å
506	L	98.4	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-39.3	172	-67.3	175.7	0	0	0	111.5	L502 E503 I509 E510 V517 K533 M537 L539 V546	L502-L506 HydrophobicContact CD1-CD1 4.03Å; L502-L506 HydrophobicContact CD1-CD2 4.36Å; L502-L506 HydrophobicContact CD1-CG 3.94Å; L502-L506 HydrophobicContact CD2-CD1 4.46Å; L502-L506 HydrophobicContact CG-CD1 3.86Å; L502-L506 HydrophobicContact CG-CG 4.21Å; L502-L506 WeakPolarHBondContact O-CG 3.37Å; L502-L506 PolarHBondContact O-N 2.84Å; E503-L506 PolarHBondContact O-N 3.14Å; E503-L506 VanDerWaalsContact O-N 3.11Å; L506-I509 HydrophobicContact CD2-CD1 4.28Å; L506-I509 WeakPolarHBondContact O-CB 3.2Å; L506-I509 PolarHBondContact O-N 2.62Å; L506-E510 WeakPolarHBondContact O-CB 3.42Å; L506-E510 PolarHBondContact O-N 2.89Å; L506-V517 HydrophobicContact CD2-CG1 4.28Å; L506-K533 HydrophobicContact CD1-CB 3.66Å; L506-K533 HydrophobicContact CD1-CG 4.37Å; L506-M537 HydrophobicContact CB-CE 4.14Å; L506-M537 HydrophobicContact CB-SD 3.67Å; L506-L539 HydrophobicContact CD2-CD1 4.23Å; L506-V546 HydrophobicContact CD2-CG1 4.41Å; L506-V546 HydrophobicContact CD2-CG2 3.46Å; L506-V546 VanDerWaalsContact CD2-CG2 3.46Å
507	E	97.4	Very high	97.3	Very high	75 Å²	75	38.8 Å²	38.8	35%	0.35	18%	0.176	S	C	.	.	H	α-helix	trans	-58.6	-45.5	170.9	-72	169.2	-179.8	0	0	111.2	E503 I509 E510 H511 M537	E503-E507 WeakPolarHBondContact O-CG 3.41Å; E503-E507 PolarHBondContact O-N 3.41Å; E507-I509 VanDerWaalsContact C-N 3.3Å; E507-I509 PolarHBondContact O-N 2.82Å; E507-E510 WeakPolarHBondContact O-CB 3.29Å; E507-E510 PolarHBondContact O-N 3.46Å; E507-E510 VanDerWaalsContact O-N 3.15Å; E507-H511 PolarHBondContact O-N 3.02Å; E507-H511 PolarHBondContact O-ND1 2.66Å; E507-M537 HydrophobicContact CG-CE 3.83Å
508	E	96.6	Very high	97.3	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.028	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-37.1	175.1	176.3	60.8	-154.9	0	0	112.4	V451 R455 Y504 V505 N512 A515	V451-E508 HydrophobicContact CG1-CB 4.02Å; V451-E508 HydrophobicContact CG1-CG 3.73Å; R455-E508 IonicContact CZ-OE2 2.74Å; R455-E508 VanDerWaalsContact CZ-OE2 3.31Å; R455-E508 IonicContact NE-OE2 3.2Å; R455-E508 PolarHBondContact NE-OE2 3.31Å; R455-E508 VanDerWaalsContact NE-OE2 3.1Å; R455-E508 IonicContact NH2-OE2 2.69Å; R455-E508 PolarHBondContact NH2-OE2 2.73Å; Y504-E508 PolarHBondContact O-N 2.91Å; Y504-E508 VanDerWaalsContact O-N 3.13Å; V505-E508 PolarHBondContact O-N 3.29Å; E508-N512 PolarHBondContact O-N 2.75Å; E508-N512 VanDerWaalsContact OE1-CB 3.26Å; E508-N512 WeakPolarHBondContact OE1-CB 3.49Å; E508-N512 PolarHBondContact OE1-ND2 3Å; E508-N512 PolarHBondContact OE2-ND2 3.48Å; E508-A515 HydrophobicContact CB-CB 4.39Å; E508-A515 HydrophobicContact CG-CB 3.76Å
509	I	97.5	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-46.9	172.4	-67	166.5	0	0	0	110	V505 L506 E507 H511 R513 A515 V517 L539 K545 V546	V505-I509 HydrophobicContact CG1-CD1 4.43Å; V505-I509 VanDerWaalsContact O-CG1 3.27Å; V505-I509 WeakPolarHBondContact O-CG1 3.26Å; V505-I509 PolarHBondContact O-N 3.05Å; L506-I509 HydrophobicContact CD2-CD1 4.28Å; L506-I509 WeakPolarHBondContact O-CB 3.2Å; L506-I509 PolarHBondContact O-N 2.62Å; E507-I509 VanDerWaalsContact C-N 3.3Å; E507-I509 PolarHBondContact O-N 2.82Å; I509-H511 PolarHBondContact O-N 3.46Å; I509-R513 VanDerWaalsContact O-CA 3.3Å; I509-R513 WeakPolarHBondContact O-CA 3.31Å; I509-R513 VanDerWaalsContact O-CD 3.25Å; I509-R513 WeakPolarHBondContact O-CD 3.23Å; I509-R513 PolarHBondContact O-N 3.49Å; I509-R513 PolarHBondContact O-NH1 2.97Å; I509-A515 HydrophobicContact CG1-CB 3.8Å; I509-A515 WeakPolarHBondContact CG1-O 3.45Å; I509-V517 HydrophobicContact CD1-CB 4.45Å; I509-V517 HydrophobicContact CD1-CG1 3.85Å; I509-L539 HydrophobicContact CG2-CD1 4.06Å; I509-L539 HydrophobicContact CG2-CD2 3.85Å; I509-K545 HydrophobicContact CD1-CB 4.21Å; I509-K545 HydrophobicContact CG2-CB 3.68Å; I509-K545 HydrophobicContact CG2-CD 4.43Å; I509-K545 HydrophobicContact CG2-CG 3.89Å; I509-V546 HydrophobicContact CD1-CG2 4.18Å
510	E	95.9	Very high	97.2	Very high	72 Å²	72	35.8 Å²	35.8	34%	0.336	17%	0.166	S	C	.	.	H	α-helix	trans	-60.8	-40.5	-180	-173.8	-179.5	-148.8	0	0	112.7	L506 E507 R513 M537	L506-E510 WeakPolarHBondContact O-CB 3.42Å; L506-E510 PolarHBondContact O-N 2.89Å; E507-E510 WeakPolarHBondContact O-CB 3.29Å; E507-E510 PolarHBondContact O-N 3.46Å; E507-E510 VanDerWaalsContact O-N 3.15Å; E510-R513 VanDerWaalsContact CA-NH1 3.27Å; E510-R513 PolarHBondContact O-NH1 3.5Å; E510-M537 HydrophobicContact CB-CB 4.42Å; E510-M537 HydrophobicContact CG-CB 4.16Å; E510-M537 HydrophobicContact CG-CG 4.44Å; E510-M537 WeakPolarHBondContact OE1-CA 3.29Å
511	H	93.9	Very high	97	Very high	139 Å²	139	31.3 Å²	31.3	64%	0.644	15%	0.147	S	C	*	.	H	α-helix	trans	-85.2	-46	-175.9	-68.7	80.6	0	0	0	113.1	E507 I509	E507-H511 PolarHBondContact O-N 3.02Å; E507-H511 PolarHBondContact O-ND1 2.66Å; I509-H511 PolarHBondContact O-N 3.46Å
512	N	93.2	Very high	96.6	Very high	75 Å²	75	33.9 Å²	33.9	40%	0.401	16%	0.159	S	C	.	.	H	α-helix	trans	-115.9	-14.4	-168.2	-66	-43.8	0	0	0	114.4	E508 K514	E508-N512 PolarHBondContact O-N 2.75Å; E508-N512 VanDerWaalsContact OE1-CB 3.26Å; E508-N512 WeakPolarHBondContact OE1-CB 3.49Å; E508-N512 PolarHBondContact OE1-ND2 3Å; E508-N512 PolarHBondContact OE2-ND2 3.48Å; N512-K514 HydrophobicContact CB-CB 4.48Å; N512-K514 PolarHBondContact O-N 3.22Å
513	R	94.2	Very high	96.3	Very high	84 Å²	84	35.1 Å²	35.1	32%	0.317	17%	0.166	S	C	.	.	S	Bend	trans	53	9.8	-172.4	-66.2	-68.9	-174.9	-63.4	1.7	115.3	I509 E510 E543 K545	I509-R513 VanDerWaalsContact O-CA 3.3Å; I509-R513 WeakPolarHBondContact O-CA 3.31Å; I509-R513 VanDerWaalsContact O-CD 3.25Å; I509-R513 WeakPolarHBondContact O-CD 3.23Å; I509-R513 PolarHBondContact O-N 3.49Å; I509-R513 PolarHBondContact O-NH1 2.97Å; E510-R513 VanDerWaalsContact CA-NH1 3.27Å; E510-R513 PolarHBondContact O-NH1 3.5Å; R513-E543 WeakPolarHBondContact CD-OE2 3.02Å; R513-E543 IonicContact CZ-OE2 2.65Å; R513-E543 IonicContact NE-OE2 3.31Å; R513-E543 PolarHBondContact NE-OE2 3.07Å; R513-E543 IonicContact NH2-OE2 2.76Å; R513-K545 PolarHBondContact O-NZ 3.39Å
514	K	95.5	Very high	96	Very high	78 Å²	78	32.9 Å²	32.9	34%	0.339	16%	0.155	S	C	.	.			trans	-91.2	-0.5	-178.2	-80	-164.1	169.9	-170.4	0	114.9	G458 Y460 F461 N512	G458-K514 PolarHBondContact O-NZ 2.81Å; Y460-K514 CarbonylContact C-O 3.55Å; Y460-K514 WeakPolarHBondContact CA-O 3.3Å; Y460-K514 WeakPolarHBondContact CB-O 3.09Å; Y460-K514 HydrophobicContact CD1-CB 4.13Å; Y460-K514 HydrophobicContact CD1-CG 4.12Å; Y460-K514 WeakPolarHBondContact CD1-O 3.49Å; Y460-K514 HydrophobicContact CE1-CB 4.33Å; Y460-K514 HydrophobicContact CE1-CG 3.86Å; F461-K514 PolarHBondContact N-O 3.1Å; N512-K514 HydrophobicContact CB-CB 4.48Å; N512-K514 PolarHBondContact O-N 3.22Å
515	A	97.5	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.8	172.2	0	0	0	0	0	112.3	F461 V505 E508 I509 K545	F461-A515 HydrophobicContact CB-CB 4.06Å; F461-A515 HydrophobicContact CD1-CB 4.13Å; F461-A515 CarbonylContact O-C 3.55Å; F461-A515 WeakPolarHBondContact O-CA 3.36Å; V505-A515 HydrophobicContact CG1-CB 4.37Å; E508-A515 HydrophobicContact CB-CB 4.39Å; E508-A515 HydrophobicContact CG-CB 3.76Å; I509-A515 HydrophobicContact CG1-CB 3.8Å; I509-A515 WeakPolarHBondContact CG1-O 3.45Å; A515-K545 WeakPolarHBondContact O-CD 3.44Å
516	N	97.9	Very high	95.8	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.032	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.3	161.6	-68.6	27.5	0	0	0	109.1	P430 F433 F461 A463 N544 K545 Y547	P430-N516 HydrophobicContact CB-CB 4.21Å; P430-N516 HydrophobicContact CG-CB 3.79Å; F433-N516 HydrophobicContact CE1-CB 4.09Å; F433-N516 HydrophobicContact CZ-CB 3.92Å; F461-N516 PolarHBondContact O-N 3.1Å; A463-N516 PolarHBondContact N-O 3.25Å; N516-N544 PolarHBondContact ND2-O 3.27Å; N516-N544 VanDerWaalsContact ND2-O 3.08Å; N516-K545 CarbonylContact C-O 3.53Å; N516-K545 VanDerWaalsContact CA-O 3.3Å; N516-K545 WeakPolarHBondContact CA-O 3.47Å; N516-K545 WeakPolarHBondContact OD1-CD 3.3Å; N516-Y547 HydrophobicContact CB-CE2 3.89Å; N516-Y547 WeakPolarHBondContact ND2-CE2 3.47Å; N516-Y547 PolarHBondContact ND2-OH 3.03Å
517	V	98.5	Very high	95.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.6	-178.5	68	0	0	0	0	112.9	A463 L465 L502 V505 L506 I509 V519 K545 V546 Y547	A463-V517 HydrophobicContact CB-CG2 4.36Å; A463-V517 CarbonylContact O-C 3.55Å; A463-V517 WeakPolarHBondContact O-CA 3.37Å; L465-V517 HydrophobicContact CD1-CG2 4.03Å; L465-V517 HydrophobicContact CG-CG2 3.91Å; L502-V517 HydrophobicContact CD1-CG1 4.3Å; L502-V517 HydrophobicContact CD1-CG2 4.33Å; V505-V517 HydrophobicContact CG1-CB 3.76Å; V505-V517 HydrophobicContact CG1-CG1 4.37Å; V505-V517 HydrophobicContact CG1-CG2 4.09Å; L506-V517 HydrophobicContact CD2-CG1 4.28Å; I509-V517 HydrophobicContact CD1-CB 4.45Å; I509-V517 HydrophobicContact CD1-CG1 3.85Å; V517-V519 HydrophobicContact CG1-CG2 4.37Å; V517-K545 PolarHBondContact N-O 3.01Å; V517-V546 HydrophobicContact CG1-CB 4.45Å; V517-V546 HydrophobicContact CG1-CG1 4.19Å; V517-V546 HydrophobicContact CG1-CG2 4.2Å; V517-Y547 PolarHBondContact O-N 3.15Å
518	M	98.3	Very high	95.7	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	107.6	169.9	174.8	65.9	73.8	0	0	109.8	F254 M402 A463 K464 L465 A520 Y547 F548 Y570	F254-M518 HydrophobicContact CD2-CE 4.48Å; F254-M518 HydrophobicContact CE1-CE 4.38Å; F254-M518 HydrophobicContact CE2-CE 3.93Å; F254-M518 HydrophobicContact CZ-CE 3.86Å; M402-M518 HydrophobicContact CE-CB 4.11Å; M402-M518 HydrophobicContact CE-CE 4.15Å; M402-M518 HydrophobicContact CE-CG 3.9Å; A463-M518 PolarHBondContact O-N 2.64Å; K464-M518 WeakPolarHBondContact CA-O 3.42Å; K464-M518 HydrophobicContact CB-CB 4.07Å; K464-M518 HydrophobicContact CB-CG 4.39Å; K464-M518 HydrophobicContact CG-CB 4.45Å; K464-M518 HydrophobicContact CG-CG 4.27Å; L465-M518 PolarHBondContact N-O 3.35Å; M518-A520 HydrophobicContact CG-CB 4.32Å; M518-A520 PolarHBondContact O-N 3.14Å; M518-A520 VanDerWaalsContact O-N 3.11Å; M518-Y547 HydrophobicContact CE-CD1 4.35Å; M518-Y547 HydrophobicContact CE-CG 4.26Å; M518-F548 VanDerWaalsContact SD-C 3.57Å; M518-Y570 HydrophobicContact CE-CD2 3.92Å; M518-Y570 HydrophobicContact CE-CG 4.22Å
519	V	98.5	Very high	95.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	80.8	176.6	-170.8	0	0	0	0	108.5	Y498 L502 V517 T521 T530 V546 Y547 F548 G549	Y498-V519 HydrophobicContact CE1-CG1 4.18Å; Y498-V519 WeakPolarHBondContact OH-CA 3.46Å; Y498-V519 WeakPolarHBondContact OH-CG1 3.35Å; L502-V519 HydrophobicContact CD1-CG2 3.78Å; L502-V519 HydrophobicContact CD2-CG1 4.49Å; V517-V519 HydrophobicContact CG1-CG2 4.37Å; V519-T521 HydrophobicContact CG1-CG2 3.92Å; V519-T521 PolarHBondContact O-N 2.9Å; V519-T530 HydrophobicContact CG2-CG2 4.1Å; V519-V546 HydrophobicContact CG2-CG1 3.9Å; V519-Y547 PolarHBondContact N-O 3.48Å; V519-F548 HydrophobicContact CB-CD1 4.12Å; V519-F548 HydrophobicContact CB-CE1 4.29Å; V519-F548 HydrophobicContact CG1-CD1 4.4Å; V519-F548 HydrophobicContact CG1-CE1 4.37Å; V519-G549 PolarHBondContact O-N 3.02Å
520	A	96.4	Very high	95.8	Very high	23 Å²	23	37.3 Å²	37.3	19%	0.19	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	91.2	-176.8	0	0	0	0	0	110.9	K464 L465 V466 Y498 M518 G549	K464-A520 HydrophobicContact CD-CB 4.47Å; K464-A520 HydrophobicContact CG-CB 4.14Å; L465-A520 WeakPolarHBondContact O-CB 3.45Å; L465-A520 PolarHBondContact O-N 3Å; L465-A520 VanDerWaalsContact O-N 3.14Å; V466-A520 HydrophobicContact CG1-CB 3.73Å; Y498-A520 PolarHBondContact OH-N 3.39Å; M518-A520 HydrophobicContact CG-CB 4.32Å; M518-A520 PolarHBondContact O-N 3.14Å; M518-A520 VanDerWaalsContact O-N 3.11Å; A520-G549 CarbonylContact C-O 3.56Å; A520-G549 WeakPolarHBondContact CA-O 3.33Å
521	T	94.3	Very high	95.9	Very high	6 Å²	6	34.3 Å²	34.3	4%	0.037	17%	0.165	C	C	.	.			trans	-152	141.7	-175.1	-176.3	0	0	0	0	112.2	R467 V519 N523 T526 V527 G549 Q550	R467-T521 PolarHBondContact NH1-OG1 3.38Å; V519-T521 HydrophobicContact CG1-CG2 3.92Å; V519-T521 PolarHBondContact O-N 2.9Å; T521-N523 PolarHBondContact OG1-N 3.24Å; T521-T526 HydrophobicContact CG2-CG2 3.92Å; T521-V527 HydrophobicContact CG2-CG2 3.83Å; T521-G549 PolarHBondContact N-O 3.31Å; T521-Q550 WeakPolarHBondContact O-CG 3.38Å; T521-Q550 PolarHBondContact O-NE2 3.09Å
522	H	91.2	Very high	96.1	Very high	55 Å²	55	32.1 Å²	32.1	26%	0.255	16%	0.155	S	C	.	.			trans	-94.3	-8.6	165.6	-59.2	122.5	0	0	0	113.3	E524 L551 I558 E591	H522-E524 PolarHBondContact O-N 3.34Å; H522-L551 PolarHBondContact NE2-N 2.94Å; H522-I558 WeakPolarHBondContact O-CD1 3.48Å; H522-E591 IonicContact CE1-OE1 2.71Å
523	N	91.7	Very high	96.3	Very high	26 Å²	26	30 Å²	30	14%	0.139	14%	0.142	C	C	.	.			trans	-77.6	117.5	177.6	176	-60	0	0	0	109	Y491 T521 D525 T526 V527	Y491-N523 PolarHBondContact OH-ND2 3.31Å; Y491-N523 VanDerWaalsContact OH-ND2 3.14Å; T521-N523 PolarHBondContact OG1-N 3.24Å; N523-D525 WeakPolarHBondContact OD1-CA 3.33Å; N523-D525 VanDerWaalsContact OD1-CB 3.3Å; N523-D525 WeakPolarHBondContact OD1-CB 3.39Å; N523-D525 PolarHBondContact OD1-N 2.94Å; N523-T526 WeakPolarHBondContact O-CB 3.47Å; N523-T526 PolarHBondContact O-N 2.67Å; N523-T526 PolarHBondContact OD1-N 2.7Å; N523-T526 PolarHBondContact OD1-OG1 3.15Å; N523-V527 PolarHBondContact O-N 2.98Å
524	E	93.3	Very high	96.4	Very high	12 Å²	12	26.2 Å²	26.2	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-34.5	-178.9	-172	-174.6	114.1	0	0	113.2	F79 H522 T526 V527 K528 I558 R601	F79-E524 HydrophobicContact CB-CG 4.37Å; F79-E524 HydrophobicContact CD2-CG 3.74Å; F79-E524 HydrophobicContact CE2-CG 4.3Å; F79-E524 HydrophobicContact CG-CG 4.18Å; H522-E524 PolarHBondContact O-N 3.34Å; E524-T526 VanDerWaalsContact C-N 3.31Å; E524-T526 PolarHBondContact O-N 2.7Å; E524-V527 CarbonylContact O-C 3.45Å; E524-V527 WeakPolarHBondContact O-CA 2.89Å; E524-V527 WeakPolarHBondContact O-CB 3.48Å; E524-V527 PolarHBondContact O-N 3.23Å; E524-V527 VanDerWaalsContact O-N 3.09Å; E524-K528 HydrophobicContact CG-CD 4.28Å; E524-K528 WeakPolarHBondContact O-CG 3.39Å; E524-K528 PolarHBondContact O-N 3.32Å; E524-K528 VanDerWaalsContact OE1-CE 3.31Å; E524-K528 WeakPolarHBondContact OE1-CE 3.18Å; E524-K528 IonicContact OE1-NZ 3.92Å; E524-K528 PolarHBondContact OE1-NZ 3.33Å; E524-I558 HydrophobicContact CB-CD1 4.03Å; E524-R601 VanDerWaalsContact CD-CZ 3.48Å; E524-R601 IonicContact OE1-CZ 2.95Å; E524-R601 IonicContact OE1-NH1 2.72Å; E524-R601 PolarHBondContact OE1-NH1 3.37Å; E524-R601 IonicContact OE1-NH2 2.79Å; E524-R601 PolarHBondContact OE1-NH2 3.14Å; E524-R601 IonicContact OE2-CZ 3.54Å; E524-R601 IonicContact OE2-NE 3.58Å; E524-R601 IonicContact OE2-NH1 3.16Å; E524-R601 PolarHBondContact OE2-NH1 3.28Å; E524-R601 IonicContact OE2-NH2 3.58Å; E524-R601 PolarHBondContact OE2-NH2 3.28Å
525	D	94.7	Very high	96.4	Very high	94 Å²	94	24.3 Å²	24.3	50%	0.503	12%	0.121	S	C	.	.	H	α-helix	trans	-64.7	-38.1	178.6	-44.4	-49.8	0	0	0	110.7	N523 V527 K528 F529	N523-D525 WeakPolarHBondContact OD1-CA 3.33Å; N523-D525 VanDerWaalsContact OD1-CB 3.3Å; N523-D525 WeakPolarHBondContact OD1-CB 3.39Å; N523-D525 PolarHBondContact OD1-N 2.94Å; D525-V527 VanDerWaalsContact C-N 3.33Å; D525-K528 PolarHBondContact O-N 2.72Å; D525-F529 WeakPolarHBondContact O-CB 3.26Å; D525-F529 PolarHBondContact O-N 3.33Å
526	T	96.9	Very high	96.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-36.8	171.8	-53.4	0	0	0	0	111.9	R467 Y498 T521 N523 E524 T530	R467-T526 PolarHBondContact NH2-OG1 3.48Å; Y498-T526 HydrophobicContact CD1-CG2 3.55Å; Y498-T526 HydrophobicContact CE1-CG2 3.36Å; T521-T526 HydrophobicContact CG2-CG2 3.92Å; N523-T526 WeakPolarHBondContact O-CB 3.47Å; N523-T526 PolarHBondContact O-N 2.67Å; N523-T526 PolarHBondContact OD1-N 2.7Å; N523-T526 PolarHBondContact OD1-OG1 3.15Å; E524-T526 VanDerWaalsContact C-N 3.31Å; E524-T526 PolarHBondContact O-N 2.7Å; T526-T530 PolarHBondContact O-N 3.09Å; T526-T530 VanDerWaalsContact O-N 3.11Å; T526-T530 PolarHBondContact O-OG1 2.71Å
527	V	97.6	Very high	96.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.9	-48.6	174.4	175.8	0	0	0	0	110.3	F79 T521 N523 E524 D525 F529 T530 L531 F548 I558 L562	F79-V527 HydrophobicContact CE1-CG1 4.5Å; F79-V527 HydrophobicContact CE2-CG1 4.1Å; F79-V527 HydrophobicContact CZ-CG1 3.6Å; T521-V527 HydrophobicContact CG2-CG2 3.83Å; N523-V527 PolarHBondContact O-N 2.98Å; E524-V527 CarbonylContact O-C 3.45Å; E524-V527 WeakPolarHBondContact O-CA 2.89Å; E524-V527 WeakPolarHBondContact O-CB 3.48Å; E524-V527 PolarHBondContact O-N 3.23Å; E524-V527 VanDerWaalsContact O-N 3.09Å; D525-V527 VanDerWaalsContact C-N 3.33Å; V527-F529 PolarHBondContact O-N 2.81Å; V527-T530 WeakPolarHBondContact O-CA 3.06Å; V527-T530 VanDerWaalsContact O-CB 3.26Å; V527-T530 WeakPolarHBondContact O-CB 3.33Å; V527-T530 PolarHBondContact O-N 2.83Å; V527-L531 HydrophobicContact CG1-CD1 4.36Å; V527-L531 HydrophobicContact CG1-CG 4.46Å; V527-L531 WeakPolarHBondContact O-CG 3.36Å; V527-L531 PolarHBondContact O-N 2.96Å; V527-F548 HydrophobicContact CG1-CD1 4.27Å; V527-F548 HydrophobicContact CG1-CE1 3.96Å; V527-F548 HydrophobicContact CG2-CD1 4.37Å; V527-I558 HydrophobicContact CG1-CG2 4.4Å; V527-I558 HydrophobicContact CG2-CG2 3.97Å; V527-L562 HydrophobicContact CG1-CD1 3.95Å; V527-L562 HydrophobicContact CG1-CD2 4.42Å
528	K	97	Very high	95.9	Very high	75 Å²	75	32.7 Å²	32.7	33%	0.326	17%	0.169	S	C	.	.	H	α-helix	trans	-55.2	-49.5	176.3	-76.2	172.1	166.4	167.7	0	111.8	F79 E524 D525 T530 L531 E532	F79-K528 HydrophobicContact CD2-CG 4.35Å; F79-K528 HydrophobicContact CE2-CG 4.05Å; E524-K528 HydrophobicContact CG-CD 4.28Å; E524-K528 WeakPolarHBondContact O-CG 3.39Å; E524-K528 PolarHBondContact O-N 3.32Å; E524-K528 VanDerWaalsContact OE1-CE 3.31Å; E524-K528 WeakPolarHBondContact OE1-CE 3.18Å; E524-K528 IonicContact OE1-NZ 3.92Å; E524-K528 PolarHBondContact OE1-NZ 3.33Å; D525-K528 PolarHBondContact O-N 2.72Å; K528-T530 VanDerWaalsContact C-N 3.26Å; K528-T530 PolarHBondContact O-N 2.85Å; K528-L531 PolarHBondContact O-N 2.83Å; K528-L531 VanDerWaalsContact O-N 3.08Å; K528-E532 WeakPolarHBondContact O-CG 3.41Å; K528-E532 PolarHBondContact O-N 3.47Å
529	F	98	Very high	95.7	Very high	36 Å²	36	32.8 Å²	32.8	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-54.3	-40.7	173.1	175.6	-93.8	0	0	0	112.4	H499 L502 D525 V527 E532 K533	H499-F529 HydrophobicContact CB-CD1 4.32Å; H499-F529 HydrophobicContact CB-CE1 3.82Å; H499-F529 HydrophobicContact CB-CZ 3.93Å; H499-F529 AromaticContact CD2-CD1 3.59Å; H499-F529 AromaticContact CD2-CE1 3.98Å; H499-F529 AromaticContact CD2-CG 4Å; H499-F529 AromaticContact CG-CD1 3.98Å; H499-F529 AromaticContact CG-CE1 3.99Å; L502-F529 HydrophobicContact CD2-CD1 4.11Å; L502-F529 HydrophobicContact CD2-CE1 4.24Å; D525-F529 WeakPolarHBondContact O-CB 3.26Å; D525-F529 PolarHBondContact O-N 3.33Å; V527-F529 PolarHBondContact O-N 2.81Å; F529-E532 PolarHBondContact O-N 3.06Å; F529-K533 HydrophobicContact CD1-CG 4.38Å; F529-K533 HydrophobicContact CE1-CG 3.96Å; F529-K533 HydrophobicContact CE2-CG 4.28Å; F529-K533 HydrophobicContact CZ-CD 4.3Å; F529-K533 HydrophobicContact CZ-CG 3.91Å; F529-K533 WeakPolarHBondContact O-CG 3.48Å; F529-K533 PolarHBondContact O-N 2.95Å
530	T	98.1	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-46.1	176.2	-49.4	0	0	0	0	111.5	L502 V519 T526 V527 K528 E532 K533 M534 V546 F548	L502-T530 HydrophobicContact CD2-CG2 4.28Å; L502-T530 WeakPolarHBondContact CD2-OG1 3.44Å; V519-T530 HydrophobicContact CG2-CG2 4.1Å; T526-T530 PolarHBondContact O-N 3.09Å; T526-T530 VanDerWaalsContact O-N 3.11Å; T526-T530 PolarHBondContact O-OG1 2.71Å; V527-T530 WeakPolarHBondContact O-CA 3.06Å; V527-T530 VanDerWaalsContact O-CB 3.26Å; V527-T530 WeakPolarHBondContact O-CB 3.33Å; V527-T530 PolarHBondContact O-N 2.83Å; K528-T530 VanDerWaalsContact C-N 3.26Å; K528-T530 PolarHBondContact O-N 2.85Å; T530-E532 VanDerWaalsContact C-N 3.33Å; T530-E532 PolarHBondContact O-N 2.65Å; T530-K533 PolarHBondContact O-N 2.72Å; T530-M534 HydrophobicContact CG2-SD 4.3Å; T530-M534 VanDerWaalsContact O-CG 3.32Å; T530-M534 WeakPolarHBondContact O-CG 3.37Å; T530-M534 PolarHBondContact O-N 2.87Å; T530-V546 HydrophobicContact CG2-CG1 3.78Å; T530-F548 HydrophobicContact CG2-CE1 3.85Å; T530-F548 HydrophobicContact CG2-CZ 3.63Å
531	L	97.5	Very high	95.2	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.047	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-34.5	179	-57.5	178.6	0	0	0	111.9	I75 I77 F79 V527 K528 N535 F548 L562 F567	I75-L531 HydrophobicContact CG2-CB 4.08Å; I75-L531 HydrophobicContact CG2-CD1 4.32Å; I75-L531 HydrophobicContact CG2-CD2 3.95Å; I75-L531 HydrophobicContact CG2-CG 4.32Å; I77-L531 HydrophobicContact CB-CD1 4.34Å; I77-L531 HydrophobicContact CD1-CD1 3.98Å; I77-L531 HydrophobicContact CG1-CD1 4.29Å; F79-L531 HydrophobicContact CE2-CD1 4.29Å; F79-L531 HydrophobicContact CZ-CD1 4.06Å; V527-L531 HydrophobicContact CG1-CD1 4.36Å; V527-L531 HydrophobicContact CG1-CG 4.46Å; V527-L531 WeakPolarHBondContact O-CG 3.36Å; V527-L531 PolarHBondContact O-N 2.96Å; K528-L531 PolarHBondContact O-N 2.83Å; K528-L531 VanDerWaalsContact O-N 3.08Å; L531-N535 PolarHBondContact O-N 3.4Å; L531-N535 PolarHBondContact O-ND2 2.75Å; L531-F548 HydrophobicContact CD2-CE2 4.35Å; L531-F548 HydrophobicContact CD2-CZ 3.85Å; L531-L562 HydrophobicContact CD1-CD2 4.32Å; L531-L562 HydrophobicContact CD2-CD2 3.93Å; L531-F567 HydrophobicContact CD2-CD1 4.38Å; L531-F567 HydrophobicContact CD2-CE1 3.64Å; L531-F567 HydrophobicContact CD2-CE2 4.47Å; L531-F567 HydrophobicContact CD2-CZ 3.71Å
532	E	97.1	Very high	95	Very high	93 Å²	93	39.8 Å²	39.8	44%	0.435	21%	0.213	S	C	.	.	H	α-helix	trans	-63	-49.4	172.3	-73.2	168	174.8	0	0	110.9	K528 F529 T530 M534 N535 E536	K528-E532 WeakPolarHBondContact O-CG 3.41Å; K528-E532 PolarHBondContact O-N 3.47Å; F529-E532 PolarHBondContact O-N 3.06Å; T530-E532 VanDerWaalsContact C-N 3.33Å; T530-E532 PolarHBondContact O-N 2.65Å; E532-M534 PolarHBondContact O-N 3.25Å; E532-N535 WeakPolarHBondContact O-CB 3.43Å; E532-N535 PolarHBondContact O-N 3.06Å; E532-N535 VanDerWaalsContact O-N 3.14Å; E532-E536 WeakPolarHBondContact O-CG 3.42Å; E532-E536 PolarHBondContact O-N 2.72Å
533	K	97.3	Very high	95	Very high	31 Å²	31	40.1 Å²	40.1	14%	0.135	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-41.3	176	-70.7	-75.1	151.7	-170.3	0	113	E503 L506 F529 T530 N535 E536 M537	E503-K533 HydrophobicContact CG-CD 4.48Å; E503-K533 WeakPolarHBondContact OE1-CE 3.49Å; E503-K533 IonicContact OE1-NZ 3.57Å; E503-K533 PolarHBondContact OE1-NZ 2.79Å; L506-K533 HydrophobicContact CD1-CB 3.66Å; L506-K533 HydrophobicContact CD1-CG 4.37Å; F529-K533 HydrophobicContact CD1-CG 4.38Å; F529-K533 HydrophobicContact CE1-CG 3.96Å; F529-K533 HydrophobicContact CE2-CG 4.28Å; F529-K533 HydrophobicContact CZ-CD 4.3Å; F529-K533 HydrophobicContact CZ-CG 3.91Å; F529-K533 WeakPolarHBondContact O-CG 3.48Å; F529-K533 PolarHBondContact O-N 2.95Å; T530-K533 PolarHBondContact O-N 2.72Å; K533-N535 VanDerWaalsContact C-N 3.3Å; K533-N535 PolarHBondContact O-N 2.72Å; K533-E536 WeakPolarHBondContact CD-OE2 3.41Å; K533-E536 WeakPolarHBondContact CE-OE2 3.34Å; K533-E536 IonicContact NZ-OE2 2.67Å; K533-E536 PolarHBondContact NZ-OE2 2.95Å; K533-E536 PolarHBondContact O-N 2.79Å; K533-M537 WeakPolarHBondContact O-CB 3.34Å; K533-M537 WeakPolarHBondContact O-CG 3.31Å; K533-M537 PolarHBondContact O-N 2.86Å
534	M	96.6	Very high	95	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-36.6	174	-72.3	-180	70.8	0	0	112.5	I75 T530 E532 G538 L539 V546 F548 F567	I75-M534 HydrophobicContact CD1-CB 4.18Å; T530-M534 HydrophobicContact CG2-SD 4.3Å; T530-M534 VanDerWaalsContact O-CG 3.32Å; T530-M534 WeakPolarHBondContact O-CG 3.37Å; T530-M534 PolarHBondContact O-N 2.87Å; E532-M534 PolarHBondContact O-N 3.25Å; M534-G538 PolarHBondContact O-N 3.43Å; M534-G538 VanDerWaalsContact O-N 3.07Å; M534-L539 HydrophobicContact CB-CB 4.2Å; M534-L539 HydrophobicContact CE-CB 4.24Å; M534-L539 WeakPolarHBondContact CE-O 3.2Å; M534-L539 HydrophobicContact CG-CB 4.22Å; M534-L539 HydrophobicContact CG-CD1 4.43Å; M534-L539 PolarHBondContact O-N 3.01Å; M534-V546 HydrophobicContact CE-CB 4.06Å; M534-V546 HydrophobicContact CE-CG2 4.2Å; M534-V546 HydrophobicContact CG-CG2 4.29Å; M534-V546 HydrophobicContact SD-CB 3.77Å; M534-V546 HydrophobicContact SD-CG1 3.78Å; M534-V546 HydrophobicContact SD-CG2 3.99Å; M534-F548 HydrophobicContact SD-CZ 4.45Å; M534-F567 HydrophobicContact CE-CD1 4.43Å; M534-F567 HydrophobicContact CE-CE1 3.8Å; M534-F567 HydrophobicContact SD-CE1 4.02Å
535	N	95.8	Very high	95.1	Very high	38 Å²	38	43.4 Å²	43.4	20%	0.203	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-42.8	173	-79.4	-57.3	0	0	0	112.6	R74 I75 L531 E532 K533 M537 G538	R74-N535 WeakPolarHBondContact CA-OD1 3.13Å; R74-N535 HydrophobicContact CG-CB 4.37Å; R74-N535 WeakPolarHBondContact CG-OD1 3.45Å; I75-N535 WeakPolarHBondContact CB-OD1 3.19Å; I75-N535 PolarHBondContact N-OD1 3.43Å; I75-N535 PolarHBondContact O-ND2 3.03Å; L531-N535 PolarHBondContact O-N 3.4Å; L531-N535 PolarHBondContact O-ND2 2.75Å; E532-N535 WeakPolarHBondContact O-CB 3.43Å; E532-N535 PolarHBondContact O-N 3.06Å; E532-N535 VanDerWaalsContact O-N 3.14Å; K533-N535 VanDerWaalsContact C-N 3.3Å; K533-N535 PolarHBondContact O-N 2.72Å; N535-M537 VanDerWaalsContact C-N 3.34Å; N535-G538 PolarHBondContact O-N 2.95Å
536	E	95.7	Very high	95.3	Very high	128 Å²	128	39.1 Å²	39.1	60%	0.598	21%	0.208	S	C	*	.	H	α-helix	trans	-60.6	-43.5	177.8	-72.4	171.7	-175.1	0	0	111.5	E532 K533	E532-E536 WeakPolarHBondContact O-CG 3.42Å; E532-E536 PolarHBondContact O-N 2.72Å; K533-E536 WeakPolarHBondContact CD-OE2 3.41Å; K533-E536 WeakPolarHBondContact CE-OE2 3.34Å; K533-E536 IonicContact NZ-OE2 2.67Å; K533-E536 PolarHBondContact NZ-OE2 2.95Å; K533-E536 PolarHBondContact O-N 2.79Å
537	M	95.3	Very high	95.3	Very high	22 Å²	22	39.2 Å²	39.2	11%	0.108	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	2.4	-176.6	-61.8	168.4	166.6	0	0	113.9	L506 E507 E510 K533 N535 L539	L506-M537 HydrophobicContact CB-CE 4.14Å; L506-M537 HydrophobicContact CB-SD 3.67Å; E507-M537 HydrophobicContact CG-CE 3.83Å; E510-M537 HydrophobicContact CB-CB 4.42Å; E510-M537 HydrophobicContact CG-CB 4.16Å; E510-M537 HydrophobicContact CG-CG 4.44Å; E510-M537 WeakPolarHBondContact OE1-CA 3.29Å; K533-M537 WeakPolarHBondContact O-CB 3.34Å; K533-M537 WeakPolarHBondContact O-CG 3.31Å; K533-M537 PolarHBondContact O-N 2.86Å; N535-M537 VanDerWaalsContact C-N 3.34Å; M537-L539 VanDerWaalsContact C-N 3.26Å; M537-L539 HydrophobicContact CB-CD1 4.12Å; M537-L539 HydrophobicContact CB-CG 3.89Å; M537-L539 PolarHBondContact O-N 3.38Å; M537-L539 HydrophobicContact SD-CD1 4.32Å
538	G	93.3	Very high	95.3	Very high	32 Å²	32	39.2 Å²	39.2	33%	0.33	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	25.8	-179.1	0	0	0	0	0	115.4	M534 N535	M534-G538 PolarHBondContact O-N 3.43Å; M534-G538 VanDerWaalsContact O-N 3.07Å; N535-G538 PolarHBondContact O-N 2.95Å
539	L	93.9	Very high	95.3	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	20%	0.198	C	C	.	.			trans	-80.2	117.3	-176.7	-62.9	177.2	0	0	0	111.3	L506 I509 M534 M537	L506-L539 HydrophobicContact CD2-CD1 4.23Å; I509-L539 HydrophobicContact CG2-CD1 4.06Å; I509-L539 HydrophobicContact CG2-CD2 3.85Å; M534-L539 HydrophobicContact CB-CB 4.2Å; M534-L539 HydrophobicContact CE-CB 4.24Å; M534-L539 WeakPolarHBondContact CE-O 3.2Å; M534-L539 HydrophobicContact CG-CB 4.22Å; M534-L539 HydrophobicContact CG-CD1 4.43Å; M534-L539 PolarHBondContact O-N 3.01Å; M537-L539 VanDerWaalsContact C-N 3.26Å; M537-L539 HydrophobicContact CB-CD1 4.12Å; M537-L539 HydrophobicContact CB-CG 3.89Å; M537-L539 PolarHBondContact O-N 3.38Å; M537-L539 HydrophobicContact SD-CD1 4.32Å
540	S	92.8	Very high	95.1	Very high	46 Å²	46	34.8 Å²	34.8	32%	0.322	19%	0.192	S	C	.	.			trans	-81.7	142.1	179.6	179.3	0	0	0	0	112	T542 E543	S540-T542 PolarHBondContact O-N 3.35Å; S540-T542 PolarHBondContact OG-N 3.12Å; S540-T542 PolarHBondContact OG-OG1 3.26Å; S540-E543 PolarHBondContact N-OE1 3.5Å; S540-E543 WeakPolarHBondContact O-CB 3.46Å; S540-E543 PolarHBondContact O-N 3.31Å; S540-E543 VanDerWaalsContact O-N 3.15Å
541	P	91.6	Very high	94.8	Very high	22 Å²	22	36.1 Å²	36.1	14%	0.143	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-56.9	-34.8	173.5	-21.6	33.2	0	0	0	112.4	I75 E543 N544 G566 F567	I75-P541 HydrophobicContact CD1-CG 4.48Å; P541-E543 PolarHBondContact O-N 2.78Å; P541-N544 PolarHBondContact O-N 3.18Å; P541-G566 WeakPolarHBondContact CB-O 3.31Å; P541-F567 HydrophobicContact CB-CD1 3.85Å; P541-F567 HydrophobicContact CB-CD2 4.26Å; P541-F567 HydrophobicContact CB-CE1 3.96Å; P541-F567 HydrophobicContact CB-CE2 4.31Å; P541-F567 HydrophobicContact CB-CG 4.03Å; P541-F567 HydrophobicContact CB-CZ 4.16Å; P541-F567 HydrophobicContact CG-CD1 4.01Å; P541-F567 HydrophobicContact CG-CD2 4.19Å; P541-F567 HydrophobicContact CG-CE1 3.59Å; P541-F567 HydrophobicContact CG-CE2 3.74Å; P541-F567 HydrophobicContact CG-CG 4.31Å; P541-F567 HydrophobicContact CG-CZ 3.41Å; P541-F567 VanDerWaalsContact CG-CZ 3.41Å
542	T	90	Very high	94.5	Very high	109 Å²	109	36.4 Å²	36.4	67%	0.669	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-67.9	-15.2	-178.4	59.5	0	0	0	0	114.2	S540 N544	S540-T542 PolarHBondContact O-N 3.35Å; S540-T542 PolarHBondContact OG-N 3.12Å; S540-T542 PolarHBondContact OG-OG1 3.26Å; T542-N544 PolarHBondContact O-N 3.2Å; T542-N544 PolarHBondContact O-ND2 3.24Å; T542-N544 VanDerWaalsContact O-ND2 3.15Å
543	E	91.2	Very high	94.2	Very high	62 Å²	62	32 Å²	32	29%	0.29	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-72.1	-12.7	174.9	-68.1	175.8	-112	0	0	112.8	R513 S540 P541 K545	R513-E543 WeakPolarHBondContact CD-OE2 3.02Å; R513-E543 IonicContact CZ-OE2 2.65Å; R513-E543 IonicContact NE-OE2 3.31Å; R513-E543 PolarHBondContact NE-OE2 3.07Å; R513-E543 IonicContact NH2-OE2 2.76Å; S540-E543 PolarHBondContact N-OE1 3.5Å; S540-E543 WeakPolarHBondContact O-CB 3.46Å; S540-E543 PolarHBondContact O-N 3.31Å; S540-E543 VanDerWaalsContact O-N 3.15Å; P541-E543 PolarHBondContact O-N 2.78Å; E543-K545 VanDerWaalsContact C-N 3.29Å; E543-K545 HydrophobicContact CB-CG 3.91Å; E543-K545 PolarHBondContact O-N 2.99Å
544	N	92.3	Very high	93.8	Very high	68 Å²	68	31.2 Å²	31.2	36%	0.364	18%	0.177	S	C	.	.			trans	51.2	46.3	-179.6	-66.6	-67.2	0	0	0	113	N516 P541 T542 Y547	N516-N544 PolarHBondContact ND2-O 3.27Å; N516-N544 VanDerWaalsContact ND2-O 3.08Å; P541-N544 PolarHBondContact O-N 3.18Å; T542-N544 PolarHBondContact O-N 3.2Å; T542-N544 PolarHBondContact O-ND2 3.24Å; T542-N544 VanDerWaalsContact O-ND2 3.15Å; N544-Y547 WeakPolarHBondContact O-CE2 3.28Å; N544-Y547 PolarHBondContact O-OH 2.91Å
545	K	95.4	Very high	93.5	Very high	39 Å²	39	31.4 Å²	31.4	17%	0.17	18%	0.179	C	C	.	.			trans	-103.5	-38.1	177.5	-59.6	-66	168.9	178.9	0	113.4	I509 R513 A515 N516 V517 E543	I509-K545 HydrophobicContact CD1-CB 4.21Å; I509-K545 HydrophobicContact CG2-CB 3.68Å; I509-K545 HydrophobicContact CG2-CD 4.43Å; I509-K545 HydrophobicContact CG2-CG 3.89Å; R513-K545 PolarHBondContact O-NZ 3.39Å; A515-K545 WeakPolarHBondContact O-CD 3.44Å; N516-K545 CarbonylContact C-O 3.53Å; N516-K545 VanDerWaalsContact CA-O 3.3Å; N516-K545 WeakPolarHBondContact CA-O 3.47Å; N516-K545 WeakPolarHBondContact OD1-CD 3.3Å; V517-K545 PolarHBondContact N-O 3.01Å; E543-K545 VanDerWaalsContact C-N 3.29Å; E543-K545 HydrophobicContact CB-CG 3.91Å; E543-K545 PolarHBondContact O-N 2.99Å
546	V	97.6	Very high	93.4	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	113.5	-178.2	-173.7	0	0	0	0	109	L506 I509 V517 V519 T530 M534 F548 P568	L506-V546 HydrophobicContact CD2-CG1 4.41Å; L506-V546 HydrophobicContact CD2-CG2 3.46Å; L506-V546 VanDerWaalsContact CD2-CG2 3.46Å; I509-V546 HydrophobicContact CD1-CG2 4.18Å; V517-V546 HydrophobicContact CG1-CB 4.45Å; V517-V546 HydrophobicContact CG1-CG1 4.19Å; V517-V546 HydrophobicContact CG1-CG2 4.2Å; V519-V546 HydrophobicContact CG2-CG1 3.9Å; T530-V546 HydrophobicContact CG2-CG1 3.78Å; M534-V546 HydrophobicContact CE-CB 4.06Å; M534-V546 HydrophobicContact CE-CG2 4.2Å; M534-V546 HydrophobicContact CG-CG2 4.29Å; M534-V546 HydrophobicContact SD-CB 3.77Å; M534-V546 HydrophobicContact SD-CG1 3.78Å; M534-V546 HydrophobicContact SD-CG2 3.99Å; V546-F548 HydrophobicContact CG1-CE2 4.15Å; V546-F548 HydrophobicContact CG1-CZ 4.18Å; V546-P568 VanDerWaalsContact O-CG 3.28Å; V546-P568 WeakPolarHBondContact O-CG 3.38Å
547	Y	97.6	Very high	93.4	Very high	1 Å²	1	24 Å²	24	0%	0.004	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.2	-176.1	-57.8	-115	0	0	0	109.2	F254 R400 N516 V517 M518 V519 N544 P568 Y570	F254-Y547 AromaticContact CE2-CD1 3.92Å; F254-Y547 HydrophobicContact CE2-CD1 3.92Å; F254-Y547 HydrophobicContact CE2-CE1 4.09Å; F254-Y547 AromaticContact CZ-CD1 3.92Å; F254-Y547 HydrophobicContact CZ-CD1 3.92Å; F254-Y547 HydrophobicContact CZ-CE1 4.05Å; R400-Y547 PolarHBondContact NH2-OH 3.14Å; R400-Y547 VanDerWaalsContact NH2-OH 3.12Å; N516-Y547 HydrophobicContact CB-CE2 3.89Å; N516-Y547 WeakPolarHBondContact ND2-CE2 3.47Å; N516-Y547 PolarHBondContact ND2-OH 3.03Å; V517-Y547 PolarHBondContact O-N 3.15Å; M518-Y547 HydrophobicContact CE-CD1 4.35Å; M518-Y547 HydrophobicContact CE-CG 4.26Å; V519-Y547 PolarHBondContact N-O 3.48Å; N544-Y547 WeakPolarHBondContact O-CE2 3.28Å; N544-Y547 PolarHBondContact O-OH 2.91Å; Y547-P568 VanDerWaalsContact CA-O 3.31Å; Y547-P568 WeakPolarHBondContact CA-O 3.39Å; Y547-P568 HydrophobicContact CD1-CB 3.9Å; Y547-P568 HydrophobicContact CD1-CG 4.24Å; Y547-P568 HydrophobicContact CE1-CB 4.2Å; Y547-P568 HydrophobicContact CG-CB 4.43Å; Y547-P568 HydrophobicContact CG-CG 4.32Å; Y547-Y570 HydrophobicContact CD1-CD2 4.25Å; Y547-Y570 AromaticContact CD1-CE2 3.63Å; Y547-Y570 HydrophobicContact CD1-CE2 3.63Å; Y547-Y570 HydrophobicContact CE1-CE2 4.25Å
548	F	97.9	Very high	93.3	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.6	177.7	-67.7	-89.4	0	0	0	111.2	M518 V519 V527 T530 L531 M534 V546 L562 F567 P568 V569 Y570	M518-F548 VanDerWaalsContact SD-C 3.57Å; V519-F548 HydrophobicContact CB-CD1 4.12Å; V519-F548 HydrophobicContact CB-CE1 4.29Å; V519-F548 HydrophobicContact CG1-CD1 4.4Å; V519-F548 HydrophobicContact CG1-CE1 4.37Å; V527-F548 HydrophobicContact CG1-CD1 4.27Å; V527-F548 HydrophobicContact CG1-CE1 3.96Å; V527-F548 HydrophobicContact CG2-CD1 4.37Å; T530-F548 HydrophobicContact CG2-CE1 3.85Å; T530-F548 HydrophobicContact CG2-CZ 3.63Å; L531-F548 HydrophobicContact CD2-CE2 4.35Å; L531-F548 HydrophobicContact CD2-CZ 3.85Å; M534-F548 HydrophobicContact SD-CZ 4.45Å; V546-F548 HydrophobicContact CG1-CE2 4.15Å; V546-F548 HydrophobicContact CG1-CZ 4.18Å; F548-L562 HydrophobicContact CB-CD1 4.01Å; F548-L562 HydrophobicContact CD1-CD1 3.99Å; F548-L562 HydrophobicContact CD2-CD1 4.3Å; F548-L562 HydrophobicContact CD2-CD2 4.23Å; F548-L562 HydrophobicContact CE2-CD2 4.19Å; F548-L562 HydrophobicContact CG-CD1 3.82Å; F548-L562 HydrophobicContact CZ-CD2 4.41Å; F548-F567 HydrophobicContact CD2-CB 4.3Å; F548-F567 HydrophobicContact CD2-CD1 4.21Å; F548-F567 AromaticContact CE2-CD1 3.61Å; F548-F567 HydrophobicContact CE2-CD1 3.61Å; F548-F567 HydrophobicContact CE2-CE1 4.2Å; F548-F567 HydrophobicContact CE2-CG 4.34Å; F548-P568 PolarHBondContact N-O 2.86Å; F548-V569 HydrophobicContact CB-CG1 4.4Å; F548-V569 HydrophobicContact CB-CG2 4.31Å; F548-V569 CarbonylContact O-C 3.56Å; F548-V569 WeakPolarHBondContact O-CA 3.43Å; F548-Y570 PolarHBondContact O-N 3.42Å
549	G	96	Very high	93.5	Very high	12 Å²	12	21.5 Å²	21.5	12%	0.124	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.5	-175.1	0	0	0	0	0	113.4	V519 A520 T521 Y570	V519-G549 PolarHBondContact O-N 3.02Å; A520-G549 CarbonylContact C-O 3.56Å; A520-G549 WeakPolarHBondContact CA-O 3.33Å; T521-G549 PolarHBondContact N-O 3.31Å; G549-Y570 WeakPolarHBondContact CA-O 3.49Å
550	Q	94.3	Very high	93.6	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.028	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	158.5	172	-70.4	79.8	43.9	0	0	111.1	T521 C555 S559 Y570 K571 Y572	T521-Q550 WeakPolarHBondContact O-CG 3.38Å; T521-Q550 PolarHBondContact O-NE2 3.09Å; Q550-C555 HydrophobicContact CG-CB 4.43Å; Q550-S559 WeakPolarHBondContact CB-OG 3.09Å; Q550-S559 PolarHBondContact OE1-OG 2.94Å; Q550-Y570 PolarHBondContact N-O 3.15Å; Q550-Y570 VanDerWaalsContact N-O 3.16Å; Q550-K571 HydrophobicContact CB-CD 4.17Å; Q550-K571 CarbonylContact O-C 3.53Å; Q550-K571 VanDerWaalsContact O-CA 3.25Å; Q550-K571 WeakPolarHBondContact O-CA 3.43Å; Q550-Y572 PolarHBondContact O-N 3.42Å
551	L	90.9	Very high	93.8	Very high	29 Å²	29	19.6 Å²	19.6	15%	0.152	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	146	171.4	-57.6	-176.7	0	0	0	111.8	H522 M554 Y572 R588	H522-L551 PolarHBondContact NE2-N 2.94Å; L551-M554 HydrophobicContact CB-SD 4.29Å; L551-M554 HydrophobicContact CD1-SD 4.14Å; L551-M554 PolarHBondContact O-N 2.8Å; L551-M554 VanDerWaalsContact O-O 3.14Å; L551-Y572 HydrophobicContact CD2-CD1 4.12Å; L551-Y572 HydrophobicContact CD2-CG 4.09Å; L551-R588 VanDerWaalsContact CD1-CZ 3.47Å
552	L	92.8	Very high	94	Very high	14 Å²	14	18.6 Å²	18.6	7%	0.073	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	138.7	169.1	178.4	64.3	0	0	0	110.8	A143 L153 M554 Y572 V573	A143-L552 HydrophobicContact CB-CD2 4.05Å; L153-L552 HydrophobicContact CD2-CD1 3.98Å; L153-L552 HydrophobicContact CD2-CD2 3.86Å; L552-M554 VanDerWaalsContact C-N 3.3Å; L552-M554 PolarHBondContact O-N 2.97Å; L552-Y572 WeakPolarHBondContact CB-O 3.45Å; L552-Y572 PolarHBondContact N-O 2.87Å; L552-V573 HydrophobicContact CD2-CG1 4.37Å
553	G	89.8	Confident	94.2	Very high	2 Å²	2	13.6 Å²	13.6	2%	0.021	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	7.2	177.8	0	0	0	0	0	115.2	F101 Q140	F101-G553 WeakPolarHBondContact CZ-O 3.31Å; Q140-G553 PolarHBondContact NE2-O 3.22Å; Q140-G553 WeakPolarHBondContact O-CA 3.37Å
554	M	88.9	Confident	94.4	Very high	13 Å²	13	13.3 Å²	13.3	6%	0.064	7%	0.072	C	C	.	.	S	Bend	trans	-139.3	141.9	-179.9	-61.7	175.6	65	0	0	111.4	F141 L551 L552 D556 K571 E591 N592	F141-M554 HydrophobicContact CD1-CG 4.48Å; F141-M554 HydrophobicContact CE1-CG 3.88Å; F141-M554 HydrophobicContact CE1-SD 4.44Å; L551-M554 HydrophobicContact CB-SD 4.29Å; L551-M554 HydrophobicContact CD1-SD 4.14Å; L551-M554 PolarHBondContact O-N 2.8Å; L551-M554 VanDerWaalsContact O-O 3.14Å; L552-M554 VanDerWaalsContact C-N 3.3Å; L552-M554 PolarHBondContact O-N 2.97Å; M554-D556 PolarHBondContact O-N 3.16Å; M554-K571 PolarHBondContact O-NZ 2.91Å; M554-E591 HydrophobicContact CE-CG 4.32Å; M554-N592 PolarHBondContact SD-ND2 2.85Å
555	C	91.1	Very high	94.4	Very high	8 Å²	8	12.5 Å²	12.5	5%	0.054	8%	0.075	C	C	.	.			trans	54.2	45	174.6	-59.3	0	0	0	0	114.2	Q550 Q557 I558 S559 E602	Q550-C555 HydrophobicContact CG-CB 4.43Å; C555-Q557 PolarHBondContact O-N 3.07Å; C555-I558 HydrophobicContact CB-CB 4.43Å; C555-I558 HydrophobicContact CB-CD1 4.16Å; C555-I558 HydrophobicContact CB-CG1 4.4Å; C555-I558 PolarHBondContact O-N 3.3Å; C555-S559 PolarHBondContact O-N 3.39Å; C555-S559 PolarHBondContact O-OG 3.4Å; C555-E602 WeakPolarHBondContact CA-OE2 3.4Å; C555-E602 PolarHBondContact N-OE1 3.4Å; C555-E602 PolarHBondContact N-OE2 3.44Å
556	D	93.6	Very high	94.3	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-28.7	176	-73.7	-12.8	0	0	0	112.2	Y86 K89 M554 I558 S559 F560 K571	Y86-D556 HydrophobicContact CD1-CB 4.36Å; Y86-D556 HydrophobicContact CE1-CB 4.05Å; K89-D556 WeakPolarHBondContact CE-OD2 3.47Å; K89-D556 IonicContact NZ-OD2 3.54Å; K89-D556 PolarHBondContact NZ-OD2 3.15Å; M554-D556 PolarHBondContact O-N 3.16Å; D556-I558 PolarHBondContact O-N 3.46Å; D556-I558 VanDerWaalsContact O-N 3.17Å; D556-S559 PolarHBondContact O-N 3.46Å; D556-F560 HydrophobicContact CB-CD2 3.78Å; D556-F560 HydrophobicContact CB-CE2 3.97Å; D556-F560 PolarHBondContact O-N 3.36Å; D556-K571 WeakPolarHBondContact OD1-CE 3.23Å; D556-K571 IonicContact OD1-NZ 2.93Å; D556-K571 PolarHBondContact OD1-NZ 3.29Å
557	Q	94.2	Very high	94.3	Very high	6 Å²	6	13 Å²	13	3%	0.028	9%	0.09	C	C	.	.	H	α-helix	trans	-62.2	-15.8	169.7	74.1	-78.9	-0.6	0	0	114.7	F79 A85 Y86 C555 P561 L605	F79-Q557 VanDerWaalsContact CD1-O 3.31Å; F79-Q557 WeakPolarHBondContact CD1-O 3.47Å; A85-Q557 HydrophobicContact CB-CB 3.87Å; Y86-Q557 PolarHBondContact OH-OE1 3.12Å; C555-Q557 PolarHBondContact O-N 3.07Å; Q557-P561 WeakPolarHBondContact O-CD 3.5Å; Q557-P561 VanDerWaalsContact O-CG 3.31Å; Q557-P561 WeakPolarHBondContact O-CG 3.4Å; Q557-L605 HydrophobicContact CB-CD1 3.91Å; Q557-L605 HydrophobicContact CG-CD1 3.63Å
558	I	95.1	Very high	94.1	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-94.2	-53	171.9	-65.9	178.5	0	0	0	109.1	F79 H522 E524 V527 C555 D556 L562	F79-I558 HydrophobicContact CE1-CG2 4.41Å; H522-I558 WeakPolarHBondContact O-CD1 3.48Å; E524-I558 HydrophobicContact CB-CD1 4.03Å; V527-I558 HydrophobicContact CG1-CG2 4.4Å; V527-I558 HydrophobicContact CG2-CG2 3.97Å; C555-I558 HydrophobicContact CB-CB 4.43Å; C555-I558 HydrophobicContact CB-CD1 4.16Å; C555-I558 HydrophobicContact CB-CG1 4.4Å; C555-I558 PolarHBondContact O-N 3.3Å; D556-I558 PolarHBondContact O-N 3.46Å; D556-I558 VanDerWaalsContact O-N 3.17Å; I558-L562 HydrophobicContact CG2-CD1 3.75Å; I558-L562 WeakPolarHBondContact O-CD1 3.39Å; I558-L562 WeakPolarHBondContact O-CG 3.47Å; I558-L562 PolarHBondContact O-N 2.91Å
559	S	96.3	Very high	94.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.9	-45.2	-168.9	-52.4	0	0	0	0	114	V162 Q550 C555 D556 G563 K571	V162-S559 WeakPolarHBondContact CG2-O 3.37Å; Q550-S559 WeakPolarHBondContact CB-OG 3.09Å; Q550-S559 PolarHBondContact OE1-OG 2.94Å; C555-S559 PolarHBondContact O-N 3.39Å; C555-S559 PolarHBondContact O-OG 3.4Å; D556-S559 PolarHBondContact O-N 3.46Å; S559-G563 PolarHBondContact O-N 3.47Å; S559-K571 VanDerWaalsContact OG-CE 3.28Å; S559-K571 WeakPolarHBondContact OG-CE 3.31Å; S559-K571 PolarHBondContact OG-NZ 3.4Å
560	F	96	Very high	94.1	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.013	9%	0.091	C	C	.	.	H	α-helix	trans	-73.9	-41	-175	-72.7	-78.3	0	0	0	112.9	S88 F160 V162 D556 L562 G563 Q564	S88-F560 WeakPolarHBondContact OG-CD1 3.48Å; S88-F560 VanDerWaalsContact OG-CE1 3.25Å; S88-F560 WeakPolarHBondContact OG-CE1 3.15Å; S88-F560 WeakPolarHBondContact OG-CE2 3.28Å; S88-F560 VanDerWaalsContact OG-CZ 3.26Å; S88-F560 WeakPolarHBondContact OG-CZ 3.38Å; F160-F560 HydrophobicContact CB-CD1 3.69Å; F160-F560 HydrophobicContact CB-CE1 3.98Å; F160-F560 HydrophobicContact CG-CD1 4.48Å; V162-F560 HydrophobicContact CB-CD1 4.47Å; V162-F560 HydrophobicContact CB-CE1 4.17Å; V162-F560 HydrophobicContact CG2-CD1 3.69Å; V162-F560 HydrophobicContact CG2-CE1 3.89Å; V162-F560 HydrophobicContact CG2-CG 4.24Å; D556-F560 HydrophobicContact CB-CD2 3.78Å; D556-F560 HydrophobicContact CB-CE2 3.97Å; D556-F560 PolarHBondContact O-N 3.36Å; F560-L562 VanDerWaalsContact C-N 3.33Å; F560-L562 PolarHBondContact O-N 3.13Å; F560-G563 PolarHBondContact O-N 2.92Å; F560-Q564 VanDerWaalsContact C-NE2 3.27Å; F560-Q564 WeakPolarHBondContact O-CB 3.27Å; F560-Q564 VanDerWaalsContact O-CG 3.23Å; F560-Q564 WeakPolarHBondContact O-CG 3.36Å; F560-Q564 PolarHBondContact O-N 3.28Å; F560-Q564 PolarHBondContact O-NE2 3.43Å
561	P	96.3	Very high	94.1	Very high	9 Å²	9	13.5 Å²	13.5	6%	0.058	9%	0.09	C	C	.	.	H	α-helix	trans	-61.3	-37.9	172.8	-29.8	40.9	0	0	0	113.3	I77 F79 A85 Q557 A565	I77-P561 HydrophobicContact CG2-CB 3.64Å; F79-P561 HydrophobicContact CD1-CB 4.4Å; A85-P561 HydrophobicContact CB-CG 4.23Å; Q557-P561 WeakPolarHBondContact O-CD 3.5Å; Q557-P561 VanDerWaalsContact O-CG 3.31Å; Q557-P561 WeakPolarHBondContact O-CG 3.4Å; P561-A565 VanDerWaalsContact O-CB 3.26Å; P561-A565 WeakPolarHBondContact O-CB 3.45Å; P561-A565 PolarHBondContact O-N 2.88Å
562	L	96.6	Very high	94.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.9	-48.9	171.3	-78.4	164.6	0	0	0	112.3	I77 F79 V527 L531 F548 I558 F560 Q564 A565 G566 F567 V569	I77-L562 HydrophobicContact CD1-CD2 3.52Å; I77-L562 HydrophobicContact CD1-CG 4.14Å; F79-L562 HydrophobicContact CE1-CG 4.14Å; F79-L562 HydrophobicContact CZ-CG 4.34Å; V527-L562 HydrophobicContact CG1-CD1 3.95Å; V527-L562 HydrophobicContact CG1-CD2 4.42Å; L531-L562 HydrophobicContact CD1-CD2 4.32Å; L531-L562 HydrophobicContact CD2-CD2 3.93Å; F548-L562 HydrophobicContact CB-CD1 4.01Å; F548-L562 HydrophobicContact CD1-CD1 3.99Å; F548-L562 HydrophobicContact CD2-CD1 4.3Å; F548-L562 HydrophobicContact CD2-CD2 4.23Å; F548-L562 HydrophobicContact CE2-CD2 4.19Å; F548-L562 HydrophobicContact CG-CD1 3.82Å; F548-L562 HydrophobicContact CZ-CD2 4.41Å; I558-L562 HydrophobicContact CG2-CD1 3.75Å; I558-L562 WeakPolarHBondContact O-CD1 3.39Å; I558-L562 WeakPolarHBondContact O-CG 3.47Å; I558-L562 PolarHBondContact O-N 2.91Å; F560-L562 VanDerWaalsContact C-N 3.33Å; F560-L562 PolarHBondContact O-N 3.13Å; L562-Q564 PolarHBondContact O-N 3.15Å; L562-A565 CarbonylContact O-C 3.57Å; L562-A565 PolarHBondContact O-N 3.46Å; L562-A565 VanDerWaalsContact O-N 3.15Å; L562-G566 PolarHBondContact O-N 3.44Å; L562-F567 HydrophobicContact CB-CB 4.27Å; L562-F567 HydrophobicContact CD2-CB 4.31Å; L562-F567 HydrophobicContact CD2-CD1 4.36Å; L562-F567 HydrophobicContact CD2-CD2 4Å; L562-F567 HydrophobicContact CD2-CE2 4.47Å; L562-F567 HydrophobicContact CD2-CG 3.94Å; L562-F567 WeakPolarHBondContact O-CB 3.45Å; L562-F567 WeakPolarHBondContact O-CD2 3.36Å; L562-F567 PolarHBondContact O-N 3.4Å; L562-F567 VanDerWaalsContact O-N 3.09Å; L562-V569 HydrophobicContact CB-CG2 3.35Å; L562-V569 HydrophobicContact CD1-CG2 4.42Å; L562-V569 HydrophobicContact CG-CG2 4.48Å
563	G	95.3	Very high	94	Very high	5 Å²	5	13.2 Å²	13.2	5%	0.052	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-43.2	-178.6	0	0	0	0	0	112.4	F160 G161 S559 F560 A565 G566	F160-G563 CarbonylContact O-C 3.6Å; G161-G563 VanDerWaalsContact O-CA 3.3Å; G161-G563 WeakPolarHBondContact O-CA 3.28Å; S559-G563 PolarHBondContact O-N 3.47Å; F560-G563 PolarHBondContact O-N 2.92Å; G563-A565 VanDerWaalsContact C-N 3.27Å; G563-A565 PolarHBondContact O-N 3.04Å; G563-G566 PolarHBondContact O-N 2.92Å
564	Q	94.1	Very high	94	Very high	56 Å²	56	13.1 Å²	13.1	26%	0.262	9%	0.085	S	C	.	.	H	α-helix	trans	-68.2	-25.4	176.2	-66.8	167.3	125.5	0	0	112.8	E84 F160 F560 L562 G566	E84-Q564 PolarHBondContact O-NE2 2.99Å; F160-Q564 HydrophobicContact CB-CG 4.38Å; F160-Q564 PolarHBondContact O-N 3.12Å; F560-Q564 VanDerWaalsContact C-NE2 3.27Å; F560-Q564 WeakPolarHBondContact O-CB 3.27Å; F560-Q564 VanDerWaalsContact O-CG 3.23Å; F560-Q564 WeakPolarHBondContact O-CG 3.36Å; F560-Q564 PolarHBondContact O-N 3.28Å; F560-Q564 PolarHBondContact O-NE2 3.43Å; L562-Q564 PolarHBondContact O-N 3.15Å; Q564-G566 PolarHBondContact O-N 3.28Å
565	A	93.6	Very high	94.1	Very high	50 Å²	50	12.5 Å²	12.5	41%	0.413	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	5.9	170.2	0	0	0	0	0	113.7	I77 P561 L562 G563 F567	I77-A565 HydrophobicContact CD1-CB 3.84Å; I77-A565 HydrophobicContact CG1-CB 4.22Å; P561-A565 VanDerWaalsContact O-CB 3.26Å; P561-A565 WeakPolarHBondContact O-CB 3.45Å; P561-A565 PolarHBondContact O-N 2.88Å; L562-A565 CarbonylContact O-C 3.57Å; L562-A565 PolarHBondContact O-N 3.46Å; L562-A565 VanDerWaalsContact O-N 3.15Å; G563-A565 VanDerWaalsContact C-N 3.27Å; G563-A565 PolarHBondContact O-N 3.04Å; A565-F567 HydrophobicContact CB-CD2 3.94Å; A565-F567 HydrophobicContact CB-CE2 4.06Å
566	G	93.3	Very high	94.1	Very high	47 Å²	47	12.1 Å²	12.1	49%	0.485	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	14.3	174.9	0	0	0	0	0	115.3	P541 L562 G563 Q564	P541-G566 WeakPolarHBondContact CB-O 3.31Å; L562-G566 PolarHBondContact O-N 3.44Å; G563-G566 PolarHBondContact O-N 2.92Å; Q564-G566 PolarHBondContact O-N 3.28Å
567	F	95.8	Very high	93.9	Very high	8 Å²	8	13.5 Å²	13.5	4%	0.035	9%	0.089	C	C	.	.			trans	-79.4	146.3	173.7	-70.6	-96.5	0	0	0	111.6	I75 I77 L531 M534 P541 F548 L562 A565 V569	I75-F567 HydrophobicContact CB-CZ 4.41Å; I75-F567 HydrophobicContact CD1-CE1 4.42Å; I75-F567 HydrophobicContact CD1-CZ 3.94Å; I75-F567 HydrophobicContact CG1-CZ 4.06Å; I75-F567 HydrophobicContact CG2-CE2 4.03Å; I75-F567 HydrophobicContact CG2-CZ 3.47Å; I75-F567 VanDerWaalsContact CG2-CZ 3.47Å; I77-F567 HydrophobicContact CD1-CD2 4.07Å; I77-F567 HydrophobicContact CD1-CE2 3.77Å; L531-F567 HydrophobicContact CD2-CD1 4.38Å; L531-F567 HydrophobicContact CD2-CE1 3.64Å; L531-F567 HydrophobicContact CD2-CE2 4.47Å; L531-F567 HydrophobicContact CD2-CZ 3.71Å; M534-F567 HydrophobicContact CE-CD1 4.43Å; M534-F567 HydrophobicContact CE-CE1 3.8Å; M534-F567 HydrophobicContact SD-CE1 4.02Å; P541-F567 HydrophobicContact CB-CD1 3.85Å; P541-F567 HydrophobicContact CB-CD2 4.26Å; P541-F567 HydrophobicContact CB-CE1 3.96Å; P541-F567 HydrophobicContact CB-CE2 4.31Å; P541-F567 HydrophobicContact CB-CG 4.03Å; P541-F567 HydrophobicContact CB-CZ 4.16Å; P541-F567 HydrophobicContact CG-CD1 4.01Å; P541-F567 HydrophobicContact CG-CD2 4.19Å; P541-F567 HydrophobicContact CG-CE1 3.59Å; P541-F567 HydrophobicContact CG-CE2 3.74Å; P541-F567 HydrophobicContact CG-CG 4.31Å; P541-F567 HydrophobicContact CG-CZ 3.41Å; P541-F567 VanDerWaalsContact CG-CZ 3.41Å; F548-F567 HydrophobicContact CD2-CB 4.3Å; F548-F567 HydrophobicContact CD2-CD1 4.21Å; F548-F567 AromaticContact CE2-CD1 3.61Å; F548-F567 HydrophobicContact CE2-CD1 3.61Å; F548-F567 HydrophobicContact CE2-CE1 4.2Å; F548-F567 HydrophobicContact CE2-CG 4.34Å; L562-F567 HydrophobicContact CB-CB 4.27Å; L562-F567 HydrophobicContact CD2-CB 4.31Å; L562-F567 HydrophobicContact CD2-CD1 4.36Å; L562-F567 HydrophobicContact CD2-CD2 4Å; L562-F567 HydrophobicContact CD2-CE2 4.47Å; L562-F567 HydrophobicContact CD2-CG 3.94Å; L562-F567 WeakPolarHBondContact O-CB 3.45Å; L562-F567 WeakPolarHBondContact O-CD2 3.36Å; L562-F567 PolarHBondContact O-N 3.4Å; L562-F567 VanDerWaalsContact O-N 3.09Å; A565-F567 HydrophobicContact CB-CD2 3.94Å; A565-F567 HydrophobicContact CB-CE2 4.06Å; F567-V569 HydrophobicContact CB-CG2 4.04Å; F567-V569 PolarHBondContact O-N 2.63Å
568	P	95.3	Very high	93.5	Very high	12 Å²	12	13.3 Å²	13.3	8%	0.078	9%	0.088	C	C	.	.			trans	-73.5	90.9	171.5	29	-31.9	0	0	0	110.2	V546 Y547 F548 Y570	V546-P568 VanDerWaalsContact O-CG 3.28Å; V546-P568 WeakPolarHBondContact O-CG 3.38Å; Y547-P568 VanDerWaalsContact CA-O 3.31Å; Y547-P568 WeakPolarHBondContact CA-O 3.39Å; Y547-P568 HydrophobicContact CD1-CB 3.9Å; Y547-P568 HydrophobicContact CD1-CG 4.24Å; Y547-P568 HydrophobicContact CE1-CB 4.2Å; Y547-P568 HydrophobicContact CG-CB 4.43Å; Y547-P568 HydrophobicContact CG-CG 4.32Å; F548-P568 PolarHBondContact N-O 2.86Å; P568-Y570 HydrophobicContact CB-CE2 4.05Å
569	V	96.6	Very high	93	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.1	-179.8	-172.5	0	0	0	0	110.9	V162 G163 F548 L562 F567	V162-V569 CarbonylContact C-O 3.34Å; V162-V569 WeakPolarHBondContact CA-O 3.35Å; V162-V569 HydrophobicContact CG1-CG1 4.27Å; V162-V569 HydrophobicContact CG2-CB 4.34Å; V162-V569 HydrophobicContact CG2-CG1 4.34Å; G163-V569 PolarHBondContact N-O 3.37Å; F548-V569 HydrophobicContact CB-CG1 4.4Å; F548-V569 HydrophobicContact CB-CG2 4.31Å; F548-V569 CarbonylContact O-C 3.56Å; F548-V569 WeakPolarHBondContact O-CA 3.43Å; L562-V569 HydrophobicContact CB-CG2 3.35Å; L562-V569 HydrophobicContact CD1-CG2 4.42Å; L562-V569 HydrophobicContact CG-CG2 4.48Å; F567-V569 HydrophobicContact CB-CG2 4.04Å; F567-V569 PolarHBondContact O-N 2.63Å
570	Y	95.9	Very high	92.3	Very high	16 Å²	16	19.6 Å²	19.6	6%	0.063	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133	180	-64.1	-103.4	0	0	0	111	G163 V165 D252 F254 M518 Y547 F548 G549 Q550 P568	G163-Y570 WeakPolarHBondContact O-CA 3.42Å; V165-Y570 HydrophobicContact CG2-CD1 4.48Å; V165-Y570 HydrophobicContact CG2-CG 4.44Å; D252-Y570 PolarHBondContact O-OH 3.34Å; D252-Y570 VanDerWaalsContact O-OH 3.14Å; F254-Y570 AromaticContact CD2-CD1 3.68Å; F254-Y570 HydrophobicContact CD2-CD1 3.68Å; F254-Y570 AromaticContact CD2-CE1 3.54Å; F254-Y570 HydrophobicContact CD2-CE1 3.54Å; F254-Y570 HydrophobicContact CD2-CE2 4.47Å; F254-Y570 HydrophobicContact CD2-CG 4.2Å; F254-Y570 AromaticContact CD2-CZ 3.98Å; F254-Y570 HydrophobicContact CE2-CD1 4.12Å; F254-Y570 HydrophobicContact CE2-CD2 4.21Å; F254-Y570 AromaticContact CE2-CE1 3.8Å; F254-Y570 HydrophobicContact CE2-CE1 3.8Å; F254-Y570 AromaticContact CE2-CE2 3.95Å; F254-Y570 HydrophobicContact CE2-CE2 3.95Å; F254-Y570 HydrophobicContact CE2-CG 4.33Å; F254-Y570 AromaticContact CE2-CZ 3.71Å; M518-Y570 HydrophobicContact CE-CD2 3.92Å; M518-Y570 HydrophobicContact CE-CG 4.22Å; Y547-Y570 HydrophobicContact CD1-CD2 4.25Å; Y547-Y570 AromaticContact CD1-CE2 3.63Å; Y547-Y570 HydrophobicContact CD1-CE2 3.63Å; Y547-Y570 HydrophobicContact CE1-CE2 4.25Å; F548-Y570 PolarHBondContact O-N 3.42Å; G549-Y570 WeakPolarHBondContact CA-O 3.49Å; Q550-Y570 PolarHBondContact N-O 3.15Å; Q550-Y570 VanDerWaalsContact N-O 3.16Å; P568-Y570 HydrophobicContact CB-CE2 4.05Å
571	K	94.9	Very high	91.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	137.9	161.5	-69.3	-58.4	-163	177.9	0	109.6	V162 G163 A164 V165 Q550 M554 D556 S559 V573	V162-K571 HydrophobicContact CG1-CG 3.78Å; G163-K571 PolarHBondContact O-N 2.83Å; A164-K571 CarbonylContact C-O 3.59Å; A164-K571 WeakPolarHBondContact CA-O 3.48Å; V165-K571 PolarHBondContact N-O 2.72Å; Q550-K571 HydrophobicContact CB-CD 4.17Å; Q550-K571 CarbonylContact O-C 3.53Å; Q550-K571 VanDerWaalsContact O-CA 3.25Å; Q550-K571 WeakPolarHBondContact O-CA 3.43Å; M554-K571 PolarHBondContact O-NZ 2.91Å; D556-K571 WeakPolarHBondContact OD1-CE 3.23Å; D556-K571 IonicContact OD1-NZ 2.93Å; D556-K571 PolarHBondContact OD1-NZ 3.29Å; S559-K571 VanDerWaalsContact OG-CE 3.28Å; S559-K571 WeakPolarHBondContact OG-CE 3.31Å; S559-K571 PolarHBondContact OG-NZ 3.4Å; K571-V573 HydrophobicContact CB-CG2 3.91Å; K571-V573 WeakPolarHBondContact O-CG2 3.44Å; K571-V573 PolarHBondContact O-N 2.82Å
572	Y	91.2	Very high	91.1	Very high	35 Å²	35	19.8 Å²	19.8	14%	0.137	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.6	160.9	-167.9	-84.1	0	0	0	107.8	V165 D167 A256 Q550 L551 L552 P574	V165-Y572 HydrophobicContact CB-CD2 4.21Å; V165-Y572 HydrophobicContact CG1-CD2 4.07Å; V165-Y572 HydrophobicContact CG1-CE2 4.42Å; D167-Y572 HydrophobicContact CB-CD1 4.36Å; D167-Y572 HydrophobicContact CB-CE1 3.46Å; D167-Y572 VanDerWaalsContact CB-CE1 3.46Å; D167-Y572 HydrophobicContact CB-CE2 4.35Å; D167-Y572 VanDerWaalsContact CB-CZ 3.46Å; D167-Y572 VanDerWaalsContact CB-OH 3.31Å; D167-Y572 WeakPolarHBondContact CB-OH 3.35Å; D167-Y572 WeakPolarHBondContact OD2-CE1 3.49Å; D167-Y572 PolarHBondContact OD2-OH 2.92Å; A256-Y572 HydrophobicContact CB-CE2 3.78Å; Q550-Y572 PolarHBondContact O-N 3.42Å; L551-Y572 HydrophobicContact CD2-CD1 4.12Å; L551-Y572 HydrophobicContact CD2-CG 4.09Å; L552-Y572 WeakPolarHBondContact CB-O 3.45Å; L552-Y572 PolarHBondContact N-O 2.87Å; Y572-P574 VanDerWaalsContact O-CD 3.28Å; Y572-P574 WeakPolarHBondContact O-CD 3.3Å
573	V	90.9	Very high	90.4	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	96.4	-165.1	174.3	0	0	0	0	110.5	A143 A164 V165 L166 D167 L552 K571	A143-V573 HydrophobicContact CB-CG1 3.49Å; A143-V573 VanDerWaalsContact CB-CG1 3.49Å; A164-V573 HydrophobicContact CB-CB 4.38Å; A164-V573 HydrophobicContact CB-CG2 3.87Å; V165-V573 PolarHBondContact O-N 2.86Å; L166-V573 HydrophobicContact CD2-CB 4.04Å; L166-V573 HydrophobicContact CD2-CG1 4Å; D167-V573 PolarHBondContact N-O 3.45Å; L552-V573 HydrophobicContact CD2-CG1 4.37Å; K571-V573 HydrophobicContact CB-CG2 3.91Å; K571-V573 WeakPolarHBondContact O-CG2 3.44Å; K571-V573 PolarHBondContact O-N 2.82Å
574	P	89.4	Confident	89.7	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	140.4	167.1	-23	34.1	0	0	0	112.1	F141 V142 A143 D167 S169 Y572 Y584	F141-P574 VanDerWaalsContact O-CG 3.29Å; F141-P574 WeakPolarHBondContact O-CG 3.32Å; V142-P574 HydrophobicContact CG1-CB 4.46Å; V142-P574 HydrophobicContact CG2-CB 4.14Å; A143-P574 PolarHBondContact N-O 3.46Å; D167-P574 CarbonylContact O-C 3.54Å; D167-P574 WeakPolarHBondContact O-CA 3.35Å; S169-P574 WeakPolarHBondContact OG-CA 3.45Å; S169-P574 WeakPolarHBondContact OG-CB 3.36Å; Y572-P574 VanDerWaalsContact O-CD 3.28Å; Y572-P574 WeakPolarHBondContact O-CD 3.3Å; P574-Y584 HydrophobicContact CB-CD1 4.43Å; P574-Y584 HydrophobicContact CB-CE1 3.92Å; P574-Y584 HydrophobicContact CB-CE2 4.24Å; P574-Y584 HydrophobicContact CG-CE1 3.64Å; P574-Y584 HydrophobicContact CG-CE2 3.72Å; P574-Y584 WeakPolarHBondContact CG-OH 3.37Å
575	Y	90.3	Very high	89.2	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.7	166.4	74.2	-74.6	0	0	0	111.6	G144 H147 I150 L166 D167 Y168 S169 C242	G144-Y575 WeakPolarHBondContact O-CA 3.3Å; G144-Y575 VanDerWaalsContact O-CB 3.3Å; G144-Y575 WeakPolarHBondContact O-CB 3.36Å; H147-Y575 AromaticContact CD2-CE2 3.38Å; H147-Y575 WeakPolarHBondContact CD2-CE2 3.25Å; H147-Y575 AromaticContact CD2-CZ 3.54Å; H147-Y575 PolarHBondContact CD2-OH 3.2Å; H147-Y575 AromaticContact NE2-CE2 3.42Å; H147-Y575 WeakPolarHBondContact NE2-CE2 3.19Å; H147-Y575 AromaticContact NE2-CZ 3.48Å; H147-Y575 PolarHBondContact NE2-OH 2.82Å; I150-Y575 HydrophobicContact CD1-CD1 4.48Å; I150-Y575 HydrophobicContact CD1-CD2 4.39Å; I150-Y575 HydrophobicContact CD1-CG 4.34Å; I150-Y575 VanDerWaalsContact CG2-CB 3.44Å; I150-Y575 HydrophobicContact CG2-CD2 4.32Å; I150-Y575 HydrophobicContact CG2-CG 3.98Å; L166-Y575 HydrophobicContact CB-CE1 4.21Å; D167-Y575 WeakPolarHBondContact O-CD1 3.48Å; D167-Y575 PolarHBondContact O-N 3.07Å; Y168-Y575 CarbonylContact C-O 3.59Å; Y168-Y575 WeakPolarHBondContact CA-O 3.42Å; Y168-Y575 AromaticContact CD2-CD2 3.84Å; Y168-Y575 HydrophobicContact CD2-CD2 3.84Å; Y168-Y575 HydrophobicContact CD2-CE1 4.3Å; Y168-Y575 AromaticContact CD2-CE2 3.47Å; Y168-Y575 HydrophobicContact CD2-CE2 3.47Å; Y168-Y575 VanDerWaalsContact CD2-CE2 3.47Å; Y168-Y575 HydrophobicContact CD2-CG 4.4Å; Y168-Y575 AromaticContact CD2-CZ 3.72Å; Y168-Y575 HydrophobicContact CE2-CD2 4.4Å; Y168-Y575 HydrophobicContact CE2-CE2 4.14Å; Y168-Y575 HydrophobicContact CG-CE2 4.43Å; S169-Y575 PolarHBondContact N-O 3.46Å; C242-Y575 PolarHBondContact SG-OH 2.9Å
576	G	90.6	Very high	88.6	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	148.5	165	-178.1	0	0	0	0	0	113.1	Y138 G144 E145	Y138-G576 WeakPolarHBondContact CE2-O 3.35Å; Y138-G576 PolarHBondContact OH-O 3.37Å; G144-G576 PolarHBondContact O-N 3.42Å; E145-G576 CarbonylContact O-C 3.52Å; E145-G576 WeakPolarHBondContact O-CA 3.5Å
577	P	90.1	Very high	87.9	Confident	34 Å²	34	14.6 Å²	14.6	22%	0.221	7%	0.074	C	C	.	.			trans	-58.4	144.8	-179.3	-25.9	36.4	0	0	0	113	N579 E580 V581	P577-N579 VanDerWaalsContact C-N 3.29Å; P577-N579 PolarHBondContact O-N 3.2Å; P577-N579 VanDerWaalsContact O-N 3.15Å; P577-E580 HydrophobicContact CB-CB 4.39Å; P577-E580 HydrophobicContact CB-CG 4.38Å; P577-E580 PolarHBondContact O-N 3.37Å; P577-V581 PolarHBondContact O-N 3.02Å
578	V	87	Confident	87.1	Confident	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-43.3	-173.8	178.6	0	0	0	0	113.2	F129 E130 M133 K134 Y138 E580 I582	F129-V578 HydrophobicContact CE1-CG1 4.45Å; E130-V578 HydrophobicContact CB-CG2 4.48Å; E130-V578 HydrophobicContact CG-CB 4.11Å; E130-V578 HydrophobicContact CG-CG1 4.23Å; E130-V578 HydrophobicContact CG-CG2 4.27Å; M133-V578 HydrophobicContact CB-CG1 3.87Å; M133-V578 HydrophobicContact CG-CG1 4.19Å; K134-V578 HydrophobicContact CD-CG2 4.43Å; K134-V578 VanDerWaalsContact CE-CG2 3.45Å; K134-V578 HydrophobicContact CG-CG2 4.18Å; Y138-V578 HydrophobicContact CD2-CB 4.19Å; Y138-V578 HydrophobicContact CD2-CG1 4.25Å; Y138-V578 HydrophobicContact CD2-CG2 3.8Å; Y138-V578 HydrophobicContact CE1-CG2 4.48Å; Y138-V578 HydrophobicContact CE2-CB 4.21Å; Y138-V578 HydrophobicContact CE2-CG2 3.71Å; Y138-V578 HydrophobicContact CG-CG2 4.23Å; V578-E580 VanDerWaalsContact C-N 3.32Å; V578-E580 PolarHBondContact O-N 2.91Å; V578-I582 WeakPolarHBondContact O-CG1 3.41Å
579	N	82.6	Confident	86.4	Confident	54 Å²	54	14 Å²	14	29%	0.289	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-33.6	-179	-61.3	-70.1	0	0	0	112.8	K121 Q126 P577	K121-N579 PolarHBondContact NZ-OD1 2.84Å; Q126-N579 VanDerWaalsContact NE2-CG 3.32Å; Q126-N579 PolarHBondContact NE2-ND2 3.14Å; Q126-N579 PolarHBondContact NE2-OD1 3.38Å; P577-N579 VanDerWaalsContact C-N 3.29Å; P577-N579 PolarHBondContact O-N 3.2Å; P577-N579 VanDerWaalsContact O-N 3.15Å
580	E	82.6	Confident	85.5	Confident	80 Å²	80	17.3 Å²	17.3	37%	0.374	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-17.9	-170.9	-70.2	168.6	-134.5	0	0	112.7	V170 E171 P577 V578	V170-E580 HydrophobicContact CB-CB 4.23Å; V170-E580 HydrophobicContact CG1-CB 4.01Å; V170-E580 HydrophobicContact CG1-CG 4.36Å; V170-E580 WeakPolarHBondContact CG1-OE2 3.45Å; V170-E580 HydrophobicContact CG2-CB 3.79Å; V170-E580 VanDerWaalsContact CG2-OE2 3.25Å; V170-E580 WeakPolarHBondContact CG2-OE2 3.43Å; E171-E580 PolarHBondContact N-O 3.06Å; E171-E580 VanDerWaalsContact N-O 3.12Å; P577-E580 HydrophobicContact CB-CB 4.39Å; P577-E580 HydrophobicContact CB-CG 4.38Å; P577-E580 PolarHBondContact O-N 3.37Å; V578-E580 VanDerWaalsContact C-N 3.32Å; V578-E580 PolarHBondContact O-N 2.91Å
581	V	84.8	Confident	84.5	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.9	175.1	-53.6	0	0	0	0	113.4	Y138 V142 P577 Y584 L585	Y138-V581 HydrophobicContact CD2-CG2 3.58Å; Y138-V581 HydrophobicContact CE2-CG2 3.52Å; V142-V581 HydrophobicContact CG2-CB 4.46Å; V142-V581 HydrophobicContact CG2-CG2 4.11Å; P577-V581 PolarHBondContact O-N 3.02Å; V581-Y584 WeakPolarHBondContact O-CB 3.36Å; V581-Y584 PolarHBondContact O-N 3.49Å; V581-Y584 VanDerWaalsContact O-N 3.14Å; V581-L585 HydrophobicContact CG2-CD1 4.15Å; V581-L585 HydrophobicContact CG2-CG 4.39Å; V581-L585 WeakPolarHBondContact O-CG 3.28Å; V581-L585 PolarHBondContact O-N 2.89Å
582	I	83	Confident	83.5	Confident	16 Å²	16	19.4 Å²	19.4	8%	0.082	10%	0.097	C	C	.	.	H	α-helix	trans	-55.2	-45.7	176.5	-71.6	175.5	0	0	0	112.3	M117 F129 V578 Y584 L585 S586	M117-I582 HydrophobicContact CE-CG2 3.91Å; M117-I582 HydrophobicContact SD-CG1 4.37Å; M117-I582 HydrophobicContact SD-CG2 3.83Å; F129-I582 HydrophobicContact CE1-CD1 4.26Å; F129-I582 HydrophobicContact CZ-CD1 4.23Å; V578-I582 WeakPolarHBondContact O-CG1 3.41Å; I582-Y584 VanDerWaalsContact C-N 3.29Å; I582-Y584 PolarHBondContact O-N 2.95Å; I582-L585 PolarHBondContact O-N 2.9Å; I582-S586 WeakPolarHBondContact O-CB 3.47Å; I582-S586 PolarHBondContact O-N 3.29Å
583	P	80.7	Confident	82.6	Confident	14 Å²	14	22 Å²	22	9%	0.091	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-36.7	176.4	-24.8	36.3	0	0	0	113.1	E171 S586 R587	E171-P583 HydrophobicContact CB-CB 4.27Å; E171-P583 HydrophobicContact CB-CG 4.28Å; E171-P583 WeakPolarHBondContact OE2-CB 3.44Å; P583-S586 WeakPolarHBondContact O-CB 3.37Å; P583-R587 PolarHBondContact O-N 3.35Å; P583-R587 PolarHBondContact O-NH1 3.17Å
584	Y	81.9	Confident	80.9	Confident	5 Å²	5	23 Å²	23	2%	0.02	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-46.1	174.5	172.3	-84.6	0	0	0	112	F141 V142 P574 V581 I582 R587 R588	F141-Y584 HydrophobicContact CB-CE1 4.2Å; V142-Y584 HydrophobicContact CG2-CD1 4.05Å; V142-Y584 HydrophobicContact CG2-CE1 4.1Å; P574-Y584 HydrophobicContact CB-CD1 4.43Å; P574-Y584 HydrophobicContact CB-CE1 3.92Å; P574-Y584 HydrophobicContact CB-CE2 4.24Å; P574-Y584 HydrophobicContact CG-CE1 3.64Å; P574-Y584 HydrophobicContact CG-CE2 3.72Å; P574-Y584 WeakPolarHBondContact CG-OH 3.37Å; V581-Y584 WeakPolarHBondContact O-CB 3.36Å; V581-Y584 PolarHBondContact O-N 3.49Å; V581-Y584 VanDerWaalsContact O-N 3.14Å; I582-Y584 VanDerWaalsContact C-N 3.29Å; I582-Y584 PolarHBondContact O-N 2.95Å; Y584-R587 WeakPolarHBondContact O-CB 3.4Å; Y584-R587 PolarHBondContact O-N 3.41Å; Y584-R588 HydrophobicContact CD1-CG 4.27Å; Y584-R588 HydrophobicContact CE1-CG 3.52Å; Y584-R588 HydrophobicContact CE2-CG 4.45Å; Y584-R588 PolarHBondContact O-N 2.81Å; Y584-R588 WeakPolarHBondContact OH-CD 3.4Å; Y584-R588 WeakPolarHBondContact OH-CG 3.45Å; Y584-R588 PolarHBondContact OH-NH1 3.31Å
585	L	83.5	Confident	78.8	Confident	3 Å²	3	32 Å²	32	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-38.9	179.2	-70.6	178.2	0	0	0	112.6	M133 F137 Y138 F141 V142 V581 I582 R587 R588 A589	M133-L585 HydrophobicContact CE-CD1 3.59Å; F137-L585 HydrophobicContact CB-CD2 4.44Å; F137-L585 WeakPolarHBondContact O-CD2 3.42Å; Y138-L585 HydrophobicContact CD2-CD1 4.21Å; F141-L585 HydrophobicContact CB-CD2 3.91Å; F141-L585 HydrophobicContact CD2-CD2 4.25Å; V142-L585 HydrophobicContact CG2-CD2 3.77Å; V142-L585 HydrophobicContact CG2-CG 4.32Å; V581-L585 HydrophobicContact CG2-CD1 4.15Å; V581-L585 HydrophobicContact CG2-CG 4.39Å; V581-L585 WeakPolarHBondContact O-CG 3.28Å; V581-L585 PolarHBondContact O-N 2.89Å; I582-L585 PolarHBondContact O-N 2.9Å; L585-R587 VanDerWaalsContact C-N 3.28Å; L585-R587 PolarHBondContact O-N 3.41Å; L585-R588 PolarHBondContact O-N 2.82Å; L585-A589 PolarHBondContact O-N 2.95Å
586	S	80.8	Confident	77.1	Confident	10 Å²	10	38 Å²	38	7%	0.07	19%	0.187	C	C	.	.	H	α-helix	trans	-52.4	-47.9	172.7	-177.6	0	0	0	0	111.4	N113 I582 P583 A589 Q590	N113-S586 PolarHBondContact ND2-OG 3.01Å; N113-S586 VanDerWaalsContact OD1-CB 3.27Å; N113-S586 WeakPolarHBondContact OD1-CB 3.46Å; N113-S586 PolarHBondContact OD1-OG 3.01Å; I582-S586 WeakPolarHBondContact O-CB 3.47Å; I582-S586 PolarHBondContact O-N 3.29Å; P583-S586 WeakPolarHBondContact O-CB 3.37Å; S586-A589 PolarHBondContact O-N 3.45Å; S586-Q590 WeakPolarHBondContact O-CG 3.27Å; S586-Q590 PolarHBondContact O-N 3.41Å; S586-Q590 VanDerWaalsContact O-N 3.15Å
587	R	77.8	Confident	75.7	Confident	17 Å²	17	46.9 Å²	46.9	6%	0.064	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-43.6	177.1	-82.9	-160.1	-46.3	-82.4	-1.3	113.5	E171 V218 I219 A221 P583 Y584 L585 A589 Q590 E591	E171-R587 VanDerWaalsContact CD-NH2 3.28Å; E171-R587 IonicContact OE1-CZ 3.06Å; E171-R587 IonicContact OE1-NH1 3.06Å; E171-R587 IonicContact OE1-NH2 3.26Å; E171-R587 PolarHBondContact OE1-NH2 3.36Å; E171-R587 IonicContact OE2-CZ 3.11Å; E171-R587 IonicContact OE2-NH1 3.17Å; E171-R587 PolarHBondContact OE2-NH1 3.03Å; E171-R587 IonicContact OE2-NH2 3.69Å; E171-R587 PolarHBondContact OE2-NH2 3.24Å; E171-R587 VanDerWaalsContact OE2-NH2 3.11Å; V218-R587 WeakPolarHBondContact O-CD 3.48Å; I219-R587 VanDerWaalsContact O-CB 3.26Å; I219-R587 WeakPolarHBondContact O-CB 3.49Å; A221-R587 PolarHBondContact O-NE 2.98Å; P583-R587 PolarHBondContact O-N 3.35Å; P583-R587 PolarHBondContact O-NH1 3.17Å; Y584-R587 WeakPolarHBondContact O-CB 3.4Å; Y584-R587 PolarHBondContact O-N 3.41Å; L585-R587 VanDerWaalsContact C-N 3.28Å; L585-R587 PolarHBondContact O-N 3.41Å; R587-A589 VanDerWaalsContact C-N 3.29Å; R587-A589 PolarHBondContact O-N 3.18Å; R587-Q590 WeakPolarHBondContact O-CB 3.49Å; R587-Q590 PolarHBondContact O-N 3.03Å; R587-Q590 VanDerWaalsContact O-N 3.13Å; R587-E591 PolarHBondContact O-N 3.28Å
588	R	79.2	Confident	74.7	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.011	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-36.5	173.1	-74.7	-69.1	94.2	78.8	-12.9	112.9	F141 S220 L551 Y584 L585 E591 N592	F141-R588 HydrophobicContact CB-CG 4.24Å; F141-R588 HydrophobicContact CD1-CB 4.37Å; F141-R588 HydrophobicContact CD1-CG 4.38Å; F141-R588 HydrophobicContact CD2-CB 3.96Å; F141-R588 HydrophobicContact CE2-CB 4.21Å; F141-R588 HydrophobicContact CG-CB 4.04Å; F141-R588 HydrophobicContact CG-CG 4.16Å; S220-R588 VanDerWaalsContact CB-NH2 3.25Å; S220-R588 PolarHBondContact O-NH2 3.34Å; S220-R588 VanDerWaalsContact O-NH2 3.1Å; L551-R588 VanDerWaalsContact CD1-CZ 3.47Å; Y584-R588 HydrophobicContact CD1-CG 4.27Å; Y584-R588 HydrophobicContact CE1-CG 3.52Å; Y584-R588 HydrophobicContact CE2-CG 4.45Å; Y584-R588 PolarHBondContact O-N 2.81Å; Y584-R588 WeakPolarHBondContact OH-CD 3.4Å; Y584-R588 WeakPolarHBondContact OH-CG 3.45Å; Y584-R588 PolarHBondContact OH-NH1 3.31Å; L585-R588 PolarHBondContact O-N 2.82Å; R588-E591 IonicContact CZ-OE2 3.91Å; R588-E591 IonicContact NE-OE2 2.75Å; R588-E591 PolarHBondContact NE-OE2 3.45Å; R588-E591 IonicContact NH2-OE2 2.87Å; R588-E591 PolarHBondContact NH2-OE2 3.44Å; R588-N592 WeakPolarHBondContact O-CB 3.43Å; R588-N592 PolarHBondContact O-N 2.95Å; R588-N592 VanDerWaalsContact O-N 3.16Å; R588-N592 PolarHBondContact O-ND2 3.46Å
589	A	79.9	Confident	74	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-38.9	174.5	0	0	0	0	0	112.1	F137 L585 S586 R587 N592 R593	F137-A589 HydrophobicContact CD1-CB 4.36Å; F137-A589 HydrophobicContact CE1-CB 3.81Å; L585-A589 PolarHBondContact O-N 2.95Å; S586-A589 PolarHBondContact O-N 3.45Å; R587-A589 VanDerWaalsContact C-N 3.29Å; R587-A589 PolarHBondContact O-N 3.18Å; A589-N592 CarbonylContact O-C 3.57Å; A589-N592 PolarHBondContact O-N 3.23Å; A589-R593 PolarHBondContact O-N 3.14Å
590	Q	77.8	Confident	73.9	Confident	71 Å²	71	49.9 Å²	49.9	33%	0.332	25%	0.248	S	C	.	.	H	α-helix	trans	-67.1	-40.3	174.4	-71.6	173.8	0.5	0	0	112.9	V110 I219 S586 R587 N592 R593	V110-Q590 HydrophobicContact CG1-CB 4.26Å; V110-Q590 HydrophobicContact CG1-CG 3.65Å; I219-Q590 HydrophobicContact CG2-CB 3.84Å; S586-Q590 WeakPolarHBondContact O-CG 3.27Å; S586-Q590 PolarHBondContact O-N 3.41Å; S586-Q590 VanDerWaalsContact O-N 3.15Å; R587-Q590 WeakPolarHBondContact O-CB 3.49Å; R587-Q590 PolarHBondContact O-N 3.03Å; R587-Q590 VanDerWaalsContact O-N 3.13Å; Q590-N592 VanDerWaalsContact C-N 3.27Å; Q590-N592 PolarHBondContact O-N 2.87Å; Q590-R593 WeakPolarHBondContact O-CB 3.19Å; Q590-R593 PolarHBondContact O-N 2.85Å; Q590-R593 VanDerWaalsContact O-N 3.15Å
591	E	74.7	Confident	74.1	Confident	54 Å²	54	49.9 Å²	49.9	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-38.1	174.8	-170.9	175.3	171	0	0	112	I219 H522 M554 R587 R588 R593	I219-E591 HydrophobicContact CG2-CB 3.85Å; H522-E591 IonicContact CE1-OE1 2.71Å; M554-E591 HydrophobicContact CE-CG 4.32Å; R587-E591 PolarHBondContact O-N 3.28Å; R588-E591 IonicContact CZ-OE2 3.91Å; R588-E591 IonicContact NE-OE2 2.75Å; R588-E591 PolarHBondContact NE-OE2 3.45Å; R588-E591 IonicContact NH2-OE2 2.87Å; R588-E591 PolarHBondContact NH2-OE2 3.44Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 2.88Å
592	N	74.2	Confident	74.2	Confident	6 Å²	6	50 Å²	50	3%	0.032	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	9.1	179.2	-72.9	-81.4	0	0	0	113.4	F101 C104 M554 R588 A589 Q590 G594	F101-N592 HydrophobicContact CD1-CB 4.47Å; F101-N592 WeakPolarHBondContact CE1-OD1 3.39Å; C104-N592 HydrophobicContact CB-CB 4Å; C104-N592 WeakPolarHBondContact CB-O 3.24Å; M554-N592 PolarHBondContact SD-ND2 2.85Å; R588-N592 WeakPolarHBondContact O-CB 3.43Å; R588-N592 PolarHBondContact O-N 2.95Å; R588-N592 VanDerWaalsContact O-N 3.16Å; R588-N592 PolarHBondContact O-ND2 3.46Å; A589-N592 CarbonylContact O-C 3.57Å; A589-N592 PolarHBondContact O-N 3.23Å; Q590-N592 VanDerWaalsContact C-N 3.27Å; Q590-N592 PolarHBondContact O-N 2.87Å; N592-G594 PolarHBondContact O-N 2.95Å
593	R	73.3	Confident	74.5	Confident	88 Å²	88	51.4 Å²	51.4	33%	0.332	25%	0.249	S	C	.	.			trans	-59.4	133	178.2	-169.3	176.5	174.9	173.9	-0.9	110.5	C104 D107 V110 E111 A589 Q590 E591 F595	C104-R593 WeakPolarHBondContact O-CA 3.44Å; D107-R593 IonicContact OD1-CZ 2.75Å; D107-R593 IonicContact OD1-NE 2.73Å; D107-R593 PolarHBondContact OD1-NE 2.86Å; D107-R593 IonicContact OD1-NH2 3.16Å; D107-R593 PolarHBondContact OD1-NH2 2.97Å; V110-R593 HydrophobicContact CG1-CB 4.38Å; V110-R593 HydrophobicContact CG1-CG 4.36Å; E111-R593 IonicContact OE1-CZ 3.69Å; E111-R593 IonicContact OE1-NH1 3.05Å; E111-R593 PolarHBondContact OE1-NH1 3.27Å; E111-R593 IonicContact OE1-NH2 2.98Å; E111-R593 PolarHBondContact OE1-NH2 3.08Å; A589-R593 PolarHBondContact O-N 3.14Å; Q590-R593 WeakPolarHBondContact O-CB 3.19Å; Q590-R593 PolarHBondContact O-N 2.85Å; Q590-R593 VanDerWaalsContact O-N 3.15Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 2.88Å; R593-F595 PolarHBondContact O-N 3.45Å
594	G	55.3	Low	75.1	Confident	24 Å²	24	53.8 Å²	53.8	25%	0.247	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	108.1	-164.7	0	0	0	0	0	114.8	N592	N592-G594 PolarHBondContact O-N 2.95Å
595	F	43.9	Very low	75.7	Confident	189 Å²	189	54 Å²	54	83%	0.829	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-175.4	-11.4	146.8	-105.9	-70.4	0	0	0	111.7	R593	R593-F595 PolarHBondContact O-N 3.45Å
596	M	54.7	Low	76.2	Confident	126 Å²	126	53.9 Å²	53.9	62%	0.621	27%	0.267	S	S	*	.	S	Bend	trans	-64.5	136.7	174.5	-61.6	-62.1	-80.5	0	0	112.7	G598 S599	M596-G598 VanDerWaalsContact C-N 3.27Å; M596-G598 PolarHBondContact O-N 3.42Å; M596-S599 PolarHBondContact O-N 3.26Å; M596-S599 PolarHBondContact O-OG 2.99Å
597	K	61.8	Low	76.9	Confident	186 Å²	186	60.5 Å²	60.5	81%	0.809	29%	0.291	S	S	*	.	H	α-helix	trans	-54.6	-37.7	-178.2	-68.1	-179.4	177.8	177.7	0	113.7	Q600 R601	K597-Q600 PolarHBondContact O-N 2.92Å; K597-R601 PolarHBondContact O-N 3.43Å
598	G	68.8	Low	77.8	Confident	44 Å²	44	63.1 Å²	63.1	45%	0.454	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-51.5	-176.5	0	0	0	0	0	114.3	M596 Q600 R601 E602	M596-G598 VanDerWaalsContact C-N 3.27Å; M596-G598 PolarHBondContact O-N 3.42Å; G598-Q600 PolarHBondContact O-N 3.2Å; G598-R601 PolarHBondContact O-N 3.1Å; G598-R601 VanDerWaalsContact O-N 3.12Å; G598-E602 PolarHBondContact O-N 2.75Å
599	S	72.3	Confident	78.6	Confident	16 Å²	16	63 Å²	63	11%	0.112	31%	0.305	C	S	.	.	H	α-helix	trans	-72.9	-12.3	-179.3	65.8	0	0	0	0	113.5	M596 R603	M596-S599 PolarHBondContact O-N 3.26Å; M596-S599 PolarHBondContact O-OG 2.99Å; S599-R603 WeakPolarHBondContact O-CG 3.41Å; S599-R603 PolarHBondContact O-NE 2.89Å
600	Q	80.9	Confident	79.3	Confident	92 Å²	92	63.1 Å²	63.1	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-76.2	-46.5	166.3	-60.5	-174.8	-0.8	0	0	111.1	K597 G598 S604	K597-Q600 PolarHBondContact O-N 2.92Å; G598-Q600 PolarHBondContact O-N 3.2Å; Q600-S604 PolarHBondContact O-N 3.18Å
601	R	87	Confident	80.1	Confident	79 Å²	79	66.9 Å²	66.9	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-47.6	178.6	-169.9	174.5	-173.3	-179.1	-8.3	112.3	D80 E524 K597 G598 R603 S604 L605	D80-R601 IonicContact OD1-CZ 2.76Å; D80-R601 IonicContact OD1-NE 3.15Å; D80-R601 PolarHBondContact OD1-NE 3.42Å; D80-R601 IonicContact OD1-NH2 2.72Å; D80-R601 PolarHBondContact OD1-NH2 2.76Å; D80-R601 IonicContact OD2-NH2 2.95Å; D80-R601 PolarHBondContact OD2-NH2 3.01Å; E524-R601 VanDerWaalsContact CD-CZ 3.48Å; E524-R601 IonicContact OE1-CZ 2.95Å; E524-R601 IonicContact OE1-NH1 2.72Å; E524-R601 PolarHBondContact OE1-NH1 3.37Å; E524-R601 IonicContact OE1-NH2 2.79Å; E524-R601 PolarHBondContact OE1-NH2 3.14Å; E524-R601 IonicContact OE2-CZ 3.54Å; E524-R601 IonicContact OE2-NE 3.58Å; E524-R601 IonicContact OE2-NH1 3.16Å; E524-R601 PolarHBondContact OE2-NH1 3.28Å; E524-R601 IonicContact OE2-NH2 3.58Å; E524-R601 PolarHBondContact OE2-NH2 3.28Å; K597-R601 PolarHBondContact O-N 3.43Å; G598-R601 PolarHBondContact O-N 3.1Å; G598-R601 VanDerWaalsContact O-N 3.12Å; R601-R603 VanDerWaalsContact C-N 3.34Å; R601-R603 PolarHBondContact O-N 2.89Å; R601-S604 WeakPolarHBondContact O-CA 3.46Å; R601-S604 VanDerWaalsContact O-CB 3.3Å; R601-S604 WeakPolarHBondContact O-CB 3.4Å; R601-S604 PolarHBondContact O-N 2.93Å; R601-L605 HydrophobicContact CG-CD1 4.06Å; R601-L605 HydrophobicContact CG-CG 4.48Å; R601-L605 PolarHBondContact O-N 3.22Å
602	E	88	Confident	81.1	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.019	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-42.3	-179.8	-179.6	161.7	-174.2	0	0	112.4	F101 C555 G598 S604 L605 L606	F101-E602 HydrophobicContact CE2-CG 3.92Å; F101-E602 HydrophobicContact CZ-CG 4.26Å; C555-E602 WeakPolarHBondContact CA-OE2 3.4Å; C555-E602 PolarHBondContact N-OE1 3.4Å; C555-E602 PolarHBondContact N-OE2 3.44Å; G598-E602 PolarHBondContact O-N 2.75Å; E602-S604 VanDerWaalsContact C-N 3.33Å; E602-S604 PolarHBondContact O-N 2.75Å; E602-L605 PolarHBondContact O-N 3.25Å; E602-L606 HydrophobicContact CG-CD1 4.16Å; E602-L606 WeakPolarHBondContact O-CB 3.41Å; E602-L606 VanDerWaalsContact O-CG 3.3Å; E602-L606 WeakPolarHBondContact O-CG 3.39Å; E602-L606 PolarHBondContact O-N 3.48Å
603	R	88.9	Confident	82.1	Confident	44 Å²	44	67.5 Å²	67.5	17%	0.166	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-36.4	173.5	-74.5	-175.3	-63.2	132.5	5.1	113.2	F101 S599 R601 W607	F101-R603 HydrophobicContact CB-CG 3.62Å; F101-R603 HydrophobicContact CD2-CG 4.12Å; F101-R603 HydrophobicContact CG-CG 4.16Å; S599-R603 WeakPolarHBondContact O-CG 3.41Å; S599-R603 PolarHBondContact O-NE 2.89Å; R601-R603 VanDerWaalsContact C-N 3.34Å; R601-R603 PolarHBondContact O-N 2.89Å; R603-W607 WeakPolarHBondContact O-CB 3.43Å; R603-W607 PolarHBondContact O-N 2.88Å
604	S	92.6	Very high	83	Confident	65 Å²	65	67.9 Å²	67.9	46%	0.455	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-46.3	176.9	-166.2	0	0	0	0	111.1	Q600 R601 E602 W607 N608	Q600-S604 PolarHBondContact O-N 3.18Å; R601-S604 WeakPolarHBondContact O-CA 3.46Å; R601-S604 VanDerWaalsContact O-CB 3.3Å; R601-S604 WeakPolarHBondContact O-CB 3.4Å; R601-S604 PolarHBondContact O-N 2.93Å; E602-S604 VanDerWaalsContact C-N 3.33Å; E602-S604 PolarHBondContact O-N 2.75Å; S604-W607 PolarHBondContact O-N 3.19Å; S604-N608 WeakPolarHBondContact O-CB 3.25Å; S604-N608 PolarHBondContact O-N 2.97Å
605	L	94.9	Very high	84.9	Confident	8 Å²	8	73.1 Å²	73.1	4%	0.042	35%	0.346	C	S	.	.	H	α-helix	trans	-66.9	-42.5	178.9	-65.1	170.6	0	0	0	111.9	T82 Y86 Q557 R601 E602 W607 N608 E609	T82-L605 HydrophobicContact CG2-CB 4.29Å; T82-L605 HydrophobicContact CG2-CD2 3.88Å; Y86-L605 HydrophobicContact CE2-CB 3.94Å; Y86-L605 WeakPolarHBondContact OH-CB 3.26Å; Q557-L605 HydrophobicContact CB-CD1 3.91Å; Q557-L605 HydrophobicContact CG-CD1 3.63Å; R601-L605 HydrophobicContact CG-CD1 4.06Å; R601-L605 HydrophobicContact CG-CG 4.48Å; R601-L605 PolarHBondContact O-N 3.22Å; E602-L605 PolarHBondContact O-N 3.25Å; L605-W607 VanDerWaalsContact C-N 3.31Å; L605-W607 PolarHBondContact O-N 3.23Å; L605-N608 PolarHBondContact O-N 3.04Å; L605-E609 PolarHBondContact O-N 3.41Å
606	L	94.4	Very high	87.1	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-58.4	-41.1	172.4	-75.6	169.2	0	0	0	112.7	Y86 L94 L98 F101 E602 L610	Y86-L606 HydrophobicContact CD1-CD2 3.89Å; Y86-L606 HydrophobicContact CE1-CD2 3.46Å; Y86-L606 VanDerWaalsContact CE1-CD2 3.46Å; Y86-L606 HydrophobicContact CE1-CG 4.08Å; Y86-L606 HydrophobicContact CE2-CD2 4.19Å; Y86-L606 HydrophobicContact CE2-CG 4.4Å; Y86-L606 HydrophobicContact CG-CD2 4.43Å; L94-L606 HydrophobicContact CD2-CD2 3.47Å; L94-L606 VanDerWaalsContact CD2-CD2 3.47Å; L98-L606 HydrophobicContact CD2-CB 3.76Å; L98-L606 HydrophobicContact CG-CB 4.02Å; F101-L606 HydrophobicContact CD2-CD1 3.78Å; F101-L606 HydrophobicContact CE2-CD1 3.71Å; E602-L606 HydrophobicContact CG-CD1 4.16Å; E602-L606 WeakPolarHBondContact O-CB 3.41Å; E602-L606 VanDerWaalsContact O-CG 3.3Å; E602-L606 WeakPolarHBondContact O-CG 3.39Å; E602-L606 PolarHBondContact O-N 3.48Å; L606-L610 WeakPolarHBondContact O-CB 3.28Å; L606-L610 PolarHBondContact O-N 2.91Å
607	W	94.7	Very high	88.8	Confident	150 Å²	150	63.5 Å²	63.5	57%	0.568	33%	0.332	S	S	*	.	H	α-helix	trans	-70.1	-41.3	178	-178.8	-108.3	0	0	0	112.1	L98 R603 S604 L605 E609 L610 R611	L98-W607 HydrophobicContact CD1-CE3 4.07Å; L98-W607 HydrophobicContact CD2-CB 4.34Å; R603-W607 WeakPolarHBondContact O-CB 3.43Å; R603-W607 PolarHBondContact O-N 2.88Å; S604-W607 PolarHBondContact O-N 3.19Å; L605-W607 VanDerWaalsContact C-N 3.31Å; L605-W607 PolarHBondContact O-N 3.23Å; W607-E609 VanDerWaalsContact C-N 3.34Å; W607-E609 PolarHBondContact O-N 2.84Å; W607-L610 HydrophobicContact CE3-CD2 4.23Å; W607-L610 HydrophobicContact CZ3-CD2 4.08Å; W607-L610 PolarHBondContact O-N 2.98Å; W607-R611 VanDerWaalsContact O-CB 3.31Å; W607-R611 WeakPolarHBondContact O-CB 3.35Å; W607-R611 PolarHBondContact O-N 3.41Å
608	N	96.2	Very high	90.1	Very high	71 Å²	71	58 Å²	58	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-43.8	174.8	-74.1	-12.1	0	0	0	111.2	T82 S604 L605 R611 R612	T82-N608 HydrophobicContact CG2-CB 3.91Å; S604-N608 WeakPolarHBondContact O-CB 3.25Å; S604-N608 PolarHBondContact O-N 2.97Å; L605-N608 PolarHBondContact O-N 3.04Å; N608-R611 PolarHBondContact O-N 3.34Å; N608-R612 WeakPolarHBondContact O-CB 3.34Å; N608-R612 PolarHBondContact O-N 3.24Å
609	E	96.3	Very high	90.6	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.1	-47.7	175.7	-176.1	60.6	-174.4	0	0	112.6	T82 E83 Y86 L94 L605 W607 R611 R612 R613	T82-E609 VanDerWaalsContact C-OE2 3.24Å; T82-E609 WeakPolarHBondContact CB-OE2 3.43Å; T82-E609 PolarHBondContact OG1-OE2 2.86Å; E83-E609 PolarHBondContact N-OE2 2.81Å; Y86-E609 HydrophobicContact CD2-CB 3.73Å; Y86-E609 HydrophobicContact CD2-CG 3.99Å; Y86-E609 HydrophobicContact CE2-CB 4.41Å; Y86-E609 HydrophobicContact CG-CG 4.41Å; L94-E609 HydrophobicContact CD1-CB 4.41Å; L94-E609 HydrophobicContact CD1-CG 3.82Å; L605-E609 PolarHBondContact O-N 3.41Å; W607-E609 VanDerWaalsContact C-N 3.34Å; W607-E609 PolarHBondContact O-N 2.84Å; E609-R611 VanDerWaalsContact C-N 3.26Å; E609-R611 PolarHBondContact O-N 3.5Å; E609-R612 WeakPolarHBondContact O-CB 3.36Å; E609-R612 PolarHBondContact O-N 3.49Å; E609-R612 VanDerWaalsContact O-N 3.14Å; E609-R612 IonicContact OE1-CZ 2.72Å; E609-R612 IonicContact OE1-NE 2.88Å; E609-R612 IonicContact OE1-NH2 2.74Å; E609-R612 PolarHBondContact OE1-NH2 3.1Å; E609-R612 IonicContact OE2-CZ 3.16Å; E609-R612 IonicContact OE2-NE 3.74Å; E609-R612 PolarHBondContact OE2-NE 3.46Å; E609-R612 IonicContact OE2-NH2 2.72Å; E609-R613 HydrophobicContact CG-CG 4.5Å; E609-R613 WeakPolarHBondContact O-CG 3.38Å; E609-R613 PolarHBondContact O-N 3.1Å; E609-R613 IonicContact OE1-CZ 2.77Å; E609-R613 VanDerWaalsContact OE1-CZ 3.26Å; E609-R613 IonicContact OE1-NE 2.77Å; E609-R613 PolarHBondContact OE1-NE 3.48Å; E609-R613 IonicContact OE1-NH2 2.69Å; E609-R613 PolarHBondContact OE1-NH2 3.05Å
610	L	94.4	Very high	91.3	Very high	8 Å²	8	68.6 Å²	68.6	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-42.3	179.1	-177.8	64.8	0	0	0	110.5	L95 L98 L606 W607 L614	L95-L610 HydrophobicContact CD2-CD2 3.64Å; L95-L610 HydrophobicContact CG-CD1 4.45Å; L95-L610 HydrophobicContact CG-CD2 4.32Å; L98-L610 HydrophobicContact CD1-CB 4.46Å; L98-L610 HydrophobicContact CD1-CD2 3.65Å; L606-L610 WeakPolarHBondContact O-CB 3.28Å; L606-L610 PolarHBondContact O-N 2.91Å; W607-L610 HydrophobicContact CE3-CD2 4.23Å; W607-L610 HydrophobicContact CZ3-CD2 4.08Å; W607-L610 PolarHBondContact O-N 2.98Å; L610-L614 HydrophobicContact CD1-CD1 4.39Å; L610-L614 HydrophobicContact CG-CD1 4.11Å; L610-L614 WeakPolarHBondContact O-CB 3.31Å; L610-L614 VanDerWaalsContact O-CG 3.23Å; L610-L614 WeakPolarHBondContact O-CG 3.42Å; L610-L614 PolarHBondContact O-N 3.2Å
611	R	95	Very high	91.6	Very high	149 Å²	149	66.4 Å²	66.4	56%	0.562	33%	0.333	S	S	*	.	H	α-helix	trans	-63.6	-44.2	174.5	-174.4	179.5	-179	-173.9	0.2	111.9	W607 N608 E609 L614 L615	W607-R611 VanDerWaalsContact O-CB 3.31Å; W607-R611 WeakPolarHBondContact O-CB 3.35Å; W607-R611 PolarHBondContact O-N 3.41Å; N608-R611 PolarHBondContact O-N 3.34Å; E609-R611 VanDerWaalsContact C-N 3.26Å; E609-R611 PolarHBondContact O-N 3.5Å; R611-L614 PolarHBondContact O-N 3.17Å; R611-L615 HydrophobicContact CG-CD1 3.84Å; R611-L615 HydrophobicContact CG-CG 4.3Å; R611-L615 WeakPolarHBondContact O-CB 3.33Å; R611-L615 VanDerWaalsContact O-CG 3.31Å; R611-L615 WeakPolarHBondContact O-CG 3.38Å; R611-L615 PolarHBondContact O-N 3.31Å
612	R	95.7	Very high	91.6	Very high	73 Å²	73	70.8 Å²	70.8	28%	0.275	35%	0.354	S	S	.	.	H	α-helix	trans	-57.2	-49.2	176.9	-172	-168.7	73.2	89.9	-1.5	110.9	E83 N608 E609 L615 G616	E83-R612 IonicContact OE1-CZ 3.55Å; E83-R612 IonicContact OE1-NH1 3.83Å; E83-R612 PolarHBondContact OE1-NH1 2.93Å; E83-R612 IonicContact OE1-NH2 2.72Å; E83-R612 PolarHBondContact OE1-NH2 3.47Å; E83-R612 IonicContact OE2-CZ 3.86Å; E83-R612 IonicContact OE2-NH1 2.72Å; E83-R612 PolarHBondContact OE2-NH1 3.33Å; E83-R612 IonicContact OE2-NH2 3.26Å; N608-R612 WeakPolarHBondContact O-CB 3.34Å; N608-R612 PolarHBondContact O-N 3.24Å; E609-R612 WeakPolarHBondContact O-CB 3.36Å; E609-R612 PolarHBondContact O-N 3.49Å; E609-R612 VanDerWaalsContact O-N 3.14Å; E609-R612 IonicContact OE1-CZ 2.72Å; E609-R612 IonicContact OE1-NE 2.88Å; E609-R612 IonicContact OE1-NH2 2.74Å; E609-R612 PolarHBondContact OE1-NH2 3.1Å; E609-R612 IonicContact OE2-CZ 3.16Å; E609-R612 IonicContact OE2-NE 3.74Å; E609-R612 PolarHBondContact OE2-NE 3.46Å; E609-R612 IonicContact OE2-NH2 2.72Å; R612-L615 PolarHBondContact O-N 3.02Å; R612-G616 PolarHBondContact O-N 3.47Å
613	R	95.4	Very high	91.6	Very high	1 Å²	1	71.6 Å²	71.6	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-42	178.5	-68.1	-176	-171.7	-174.4	0.5	113	Y86 K89 N91 E609 G616 G617 Q618	Y86-R613 PolarHBondContact O-NH2 2.75Å; K89-R613 PolarHBondContact O-NH1 3.29Å; N91-R613 WeakPolarHBondContact OD1-CD 3.45Å; N91-R613 PolarHBondContact OD1-NH1 2.77Å; E609-R613 HydrophobicContact CG-CG 4.5Å; E609-R613 WeakPolarHBondContact O-CG 3.38Å; E609-R613 PolarHBondContact O-N 3.1Å; E609-R613 IonicContact OE1-CZ 2.77Å; E609-R613 VanDerWaalsContact OE1-CZ 3.26Å; E609-R613 IonicContact OE1-NE 2.77Å; E609-R613 PolarHBondContact OE1-NE 3.48Å; E609-R613 IonicContact OE1-NH2 2.69Å; E609-R613 PolarHBondContact OE1-NH2 3.05Å; R613-G616 CarbonylContact O-C 3.59Å; R613-G616 PolarHBondContact O-N 3.06Å; R613-G617 PolarHBondContact O-N 2.9Å; R613-Q618 HydrophobicContact CB-CB 4.07Å; R613-Q618 HydrophobicContact CG-CB 4.35Å; R613-Q618 WeakPolarHBondContact O-CA 3.28Å; R613-Q618 PolarHBondContact O-N 2.69Å
614	L	92.8	Very high	91.4	Very high	96 Å²	96	75.8 Å²	75.8	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-65.5	-44.6	177.6	-71.7	171.3	0	0	0	112	L610 R611 G617 I619	L610-L614 HydrophobicContact CD1-CD1 4.39Å; L610-L614 HydrophobicContact CG-CD1 4.11Å; L610-L614 WeakPolarHBondContact O-CB 3.31Å; L610-L614 VanDerWaalsContact O-CG 3.23Å; L610-L614 WeakPolarHBondContact O-CG 3.42Å; L610-L614 PolarHBondContact O-N 3.2Å; R611-L614 PolarHBondContact O-N 3.17Å; L614-G617 PolarHBondContact O-N 2.73Å; L614-I619 HydrophobicContact CD2-CG1 4.45Å
615	L	93.4	Very high	90.8	Very high	134 Å²	134	80.5 Å²	80.5	70%	0.702	40%	0.399	S	S	*	.	H	α-helix	trans	-69.3	-32.6	177	-67.4	176.1	0	0	0	112.6	R611 R612 G617	R611-L615 HydrophobicContact CG-CD1 3.84Å; R611-L615 HydrophobicContact CG-CG 4.3Å; R611-L615 WeakPolarHBondContact O-CB 3.33Å; R611-L615 VanDerWaalsContact O-CG 3.31Å; R611-L615 WeakPolarHBondContact O-CG 3.38Å; R611-L615 PolarHBondContact O-N 3.31Å; R612-L615 PolarHBondContact O-N 3.02Å; L615-G617 VanDerWaalsContact C-N 3.3Å; L615-G617 PolarHBondContact O-N 2.82Å
616	G	90.4	Very high	90.6	Very high	56 Å²	56	84.2 Å²	84.2	58%	0.577	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	8.8	175.5	0	0	0	0	0	115.2	R612 R613 Q618	R612-G616 PolarHBondContact O-N 3.47Å; R613-G616 CarbonylContact O-C 3.59Å; R613-G616 PolarHBondContact O-N 3.06Å; G616-Q618 PolarHBondContact O-N 2.9Å
617	G	90.2	Very high	90.3	Very high	56 Å²	56	88.5 Å²	88.5	58%	0.577	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	4	178.7	0	0	0	0	0	115.9	R613 L614 L615 I619	R613-G617 PolarHBondContact O-N 2.9Å; L614-G617 PolarHBondContact O-N 2.73Å; L615-G617 VanDerWaalsContact C-N 3.3Å; L615-G617 PolarHBondContact O-N 2.82Å; G617-I619 PolarHBondContact O-N 3.04Å
618	Q	89.4	Confident	90.1	Very high	70 Å²	70	85.1 Å²	85.1	33%	0.327	43%	0.432	S	S	.	.			trans	-79.4	48	-179.5	-62	-176.9	-11	0	0	112.5	N91 R613 G616 F620 Y621	N91-Q618 PolarHBondContact ND2-O 3.4Å; R613-Q618 HydrophobicContact CB-CB 4.07Å; R613-Q618 HydrophobicContact CG-CB 4.35Å; R613-Q618 WeakPolarHBondContact O-CA 3.28Å; R613-Q618 PolarHBondContact O-N 2.69Å; G616-Q618 PolarHBondContact O-N 2.9Å; Q618-F620 PolarHBondContact O-N 3.37Å; Q618-Y621 PolarHBondContact O-N 2.93Å
619	I	80.7	Confident	89.7	Confident	96 Å²	96	85.9 Å²	85.9	49%	0.492	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-31.2	-173.8	-59.4	174.8	0	0	0	111.9	N91 L614 G617	N91-I619 VanDerWaalsContact ND2-C 3.28Å; N91-I619 PolarHBondContact ND2-O 2.85Å; L614-I619 HydrophobicContact CD2-CG1 4.45Å; G617-I619 PolarHBondContact O-N 3.04Å
620	F	85.3	Confident	89.3	Confident	187 Å²	187	91.3 Å²	91.3	82%	0.82	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	40.9	179.3	-60.9	-72.9	0	0	0	113.1	Q618 K622	Q618-F620 PolarHBondContact O-N 3.37Å; F620-K622 PolarHBondContact O-N 2.99Å
621	Y	88.7	Confident	89	Confident	47 Å²	47	96.9 Å²	96.9	18%	0.184	49%	0.49	C	S	.	.			trans	-54.8	126.1	177.1	-177.2	-84.2	0	0	0	111.6	K87 K89 N90 Q618 P623	K87-Y621 WeakPolarHBondContact O-CE1 3.28Å; K87-Y621 PolarHBondContact O-OH 3.33Å; K89-Y621 WeakPolarHBondContact O-CD1 3.22Å; K89-Y621 WeakPolarHBondContact O-CE1 3.42Å; N90-Y621 WeakPolarHBondContact CB-O 3.3Å; Q618-Y621 PolarHBondContact O-N 2.93Å; Y621-P623 HydrophobicContact CE1-CB 4.34Å
622	K	87.3	Confident	88.6	Confident	170 Å²	170	93.1 Å²	93.1	74%	0.739	49%	0.485	S	S	*	.			trans	-119.5	131.6	168.3	-68.8	-178	179.4	179.3	0	108.2	F620	F620-K622 PolarHBondContact O-N 2.99Å
623	P	87.9	Confident	88	Confident	21 Å²	21	94.7 Å²	94.7	14%	0.136	50%	0.501	C	S	.	.			trans	-62	139.7	171.4	27.4	-34.3	0	0	0	109.9	K87 K156 F160 Y621 Y625	K87-P623 WeakPolarHBondContact O-CB 3.29Å; K156-P623 HydrophobicContact CD-CG 4.43Å; F160-P623 HydrophobicContact CE2-CB 4.16Å; F160-P623 HydrophobicContact CZ-CB 3.9Å; Y621-P623 HydrophobicContact CE1-CB 4.34Å; P623-Y625 HydrophobicContact CB-CD1 4.26Å; P623-Y625 HydrophobicContact CG-CD1 4.46Å; P623-Y625 HydrophobicContact CG-CE1 4.31Å
624	V	83.4	Confident	87.4	Confident	133 Å²	133	102.5 Å²	102.5	81%	0.806	54%	0.542	S	S	*	.			trans	-105.5	127.2	172	-178.5	0	0	0	0	107.4
625	Y	79.7	Confident	86.9	Confident	164 Å²	164	103.1 Å²	103.1	64%	0.643	55%	0.546	S	S	*	.			trans	-161.8	0	-177.5	66.9	-85.7	0	0	0	110.6	K156 A159 F160 P623	K156-Y625 HydrophobicContact CB-CE1 4.33Å; K156-Y625 HydrophobicContact CB-CE2 3.94Å; K156-Y625 HydrophobicContact CD-CE1 4.1Å; K156-Y625 HydrophobicContact CG-CD1 4.22Å; K156-Y625 HydrophobicContact CG-CE1 3.78Å; K156-Y625 HydrophobicContact CG-CE2 4.2Å; A159-Y625 HydrophobicContact CB-CD2 3.82Å; A159-Y625 HydrophobicContact CB-CG 4.14Å; F160-Y625 HydrophobicContact CE2-CD1 4.06Å; F160-Y625 HydrophobicContact CE2-CG 4.14Å; F160-Y625 HydrophobicContact CZ-CD1 4.5Å; P623-Y625 HydrophobicContact CB-CD1 4.26Å; P623-Y625 HydrophobicContact CG-CD1 4.46Å; P623-Y625 HydrophobicContact CG-CE1 4.31Å

Retrieved 625 of 625 residues in 1104.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).