A0A087X4G9_POEFO Loading...

Exostosin glycosyltransferase 1

Glycosyltransferase required for the biosynthesis of heparan-sulfate.

AlphaFold DB , UniProt , Accession A0A087X4G9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 778 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	49.7	Very low	52.2	Low	243 Å²	243	158.8 Å²	158.8	100%	1.197	76%	0.758	S	S	*	*				0	68.2	0	-75.8	-165.4	-85.2	0	0	111.9
2	Q	47.3	Very low	53	Low	179 Å²	179	151.4 Å²	151.4	84%	0.836	74%	0.736	S	S	*	*			trans	-143.8	9.1	174.1	-93.2	-175	-15	0	0	114.7
3	A	44.5	Very low	53.7	Low	74 Å²	74	143.7 Å²	143.7	61%	0.612	71%	0.712	S	S	*	*	S	Bend	trans	-97.3	-23.1	174.6	0	0	0	0	0	113.7
4	K	45.7	Very low	54.1	Low	193 Å²	193	136.6 Å²	136.6	84%	0.839	69%	0.694	S	S	*	*	H	α-helix	trans	-83.7	-11.4	-176.2	-72.8	-172.5	174.8	-175.9	0	115.2
5	K	48.8	Very low	54.8	Low	177 Å²	177	131.3 Å²	131.3	77%	0.77	68%	0.679	S	S	*	*	H	α-helix	trans	-86.6	-17.3	178.5	-93.8	-175.5	174.5	-177.5	0	114.4
6	R	49.1	Very low	55	Low	196 Å²	196	128.3 Å²	128.3	74%	0.74	67%	0.672	S	S	*	*	H	α-helix	trans	-84.8	-28.2	-177.4	-71.7	-175.8	176.1	-178.6	-0.8	113.5
7	Y	52.6	Low	54.9	Low	172 Å²	172	127 Å²	127	68%	0.675	67%	0.665	S	S	*	*	H	α-helix	trans	-80.3	-26.4	-179.5	-74.1	-82.4	0	0	0	114.1	L11	Y7-L11 PolarHBondContact O-N 3.23Å
8	L	56.2	Low	54.9	Low	135 Å²	135	123.6 Å²	123.6	71%	0.707	66%	0.658	S	S	*	*	H	α-helix	trans	-71.8	-33.2	179.3	-128	92.5	0	0	0	112.8	S12	L8-S12 PolarHBondContact O-N 3.33Å; L8-S12 PolarHBondContact O-OG 3.37Å
9	I	61	Low	55	Low	120 Å²	120	122.6 Å²	122.6	62%	0.615	65%	0.652	S	S	*	*	H	α-helix	trans	-77.2	-32.3	-178.4	-60.9	172.7	0	0	0	111	S12 A13	I9-S12 PolarHBondContact O-OG 2.95Å; I9-S12 VanDerWaalsContact O-OG 3.06Å; I9-A13 WeakPolarHBondContact O-CB 3.46Å; I9-A13 PolarHBondContact O-N 3.13Å
10	L	57.4	Low	55	Low	126 Å²	126	123 Å²	123	66%	0.66	65%	0.654	S	S	*	*	H	α-helix	trans	-70.1	-35.5	174.5	-85.8	156.8	0	0	0	112.2	G14	L10-G14 PolarHBondContact O-N 3.36Å
11	L	62.2	Low	54.8	Low	132 Å²	132	125.8 Å²	125.8	69%	0.691	66%	0.66	S	S	*	*	H	α-helix	trans	-72.1	-35.6	175.8	-89.1	155.5	0	0	0	112.9	Y7 A15	Y7-L11 PolarHBondContact O-N 3.23Å; L11-A15 PolarHBondContact O-N 2.97Å
12	S	61.7	Low	54.7	Low	70 Å²	70	124.3 Å²	124.3	49%	0.49	64%	0.643	S	S	.	*	H	α-helix	trans	-72.3	-33.5	176.4	62	0	0	0	0	113.1	L8 I9 C16	L8-S12 PolarHBondContact O-N 3.33Å; L8-S12 PolarHBondContact O-OG 3.37Å; I9-S12 PolarHBondContact O-OG 2.95Å; I9-S12 VanDerWaalsContact O-OG 3.06Å; S12-C16 PolarHBondContact O-N 3.31Å
13	A	61.7	Low	54.7	Low	51 Å²	51	122.4 Å²	122.4	42%	0.421	64%	0.638	S	S	.	*	H	α-helix	trans	-70.5	-36.3	177.5	0	0	0	0	0	112.5	I9 L17	I9-A13 WeakPolarHBondContact O-CB 3.46Å; I9-A13 PolarHBondContact O-N 3.13Å; A13-L17 PolarHBondContact O-N 3.3Å
14	G	59.7	Low	54.4	Low	45 Å²	45	122.2 Å²	122.2	46%	0.464	64%	0.643	S	S	.	*	H	α-helix	trans	-66.8	-36.3	175.6	0	0	0	0	0	113.6	L10 A18	L10-G14 PolarHBondContact O-N 3.36Å; G14-A18 PolarHBondContact O-N 3.35Å
15	A	64.2	Low	53.8	Low	57 Å²	57	116 Å²	116	47%	0.471	63%	0.634	S	S	.	*	H	α-helix	trans	-71.6	-35.3	178.8	0	0	0	0	0	113.1	L11 L19	L11-A15 PolarHBondContact O-N 2.97Å; A15-L19 PolarHBondContact O-N 3.07Å
16	C	58	Low	52.9	Low	83 Å²	83	114.9 Å²	114.9	56%	0.561	64%	0.642	S	S	*	*	H	α-helix	trans	-70.9	-33.9	176.4	-82	0	0	0	0	113.3	S12 L19 L20	S12-C16 PolarHBondContact O-N 3.31Å; C16-L19 PolarHBondContact O-N 3.45Å; C16-L20 WeakPolarHBondContact O-CG 3.34Å; C16-L20 PolarHBondContact O-N 2.99Å
17	L	53.6	Low	51.9	Low	106 Å²	106	113.6 Å²	113.6	56%	0.555	64%	0.644	S	S	*	*	H	α-helix	trans	-70.5	-38	176.2	-89.2	156.8	0	0	0	112	A13 L19 L20 F21	A13-L17 PolarHBondContact O-N 3.3Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.45Å; L17-L20 PolarHBondContact O-N 3.4Å; L17-F21 WeakPolarHBondContact O-CD2 3.44Å; L17-F21 PolarHBondContact O-N 2.92Å
18	A	55.4	Low	50.6	Low	65 Å²	65	112.9 Å²	112.9	54%	0.537	65%	0.651	S	S	.	*	H	α-helix	trans	-65.1	-34.5	174.9	0	0	0	0	0	112.7	G14 Y22	G14-A18 PolarHBondContact O-N 3.35Å; A18-Y22 PolarHBondContact O-N 3.27Å
19	L	56.9	Low	49.7	Very low	106 Å²	106	111.9 Å²	111.9	56%	0.555	65%	0.653	S	S	*	*	H	α-helix	trans	-71.8	-32.2	176.9	-107.1	149.4	0	0	0	113.4	A15 C16 L17 Y22 L23	A15-L19 PolarHBondContact O-N 3.07Å; C16-L19 PolarHBondContact O-N 3.45Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.45Å; L19-Y22 PolarHBondContact O-N 3.23Å; L19-L23 HydrophobicContact CD2-CD1 3.73Å; L19-L23 PolarHBondContact O-N 3.09Å
20	L	55.1	Low	47.9	Very low	130 Å²	130	110.9 Å²	110.9	68%	0.681	66%	0.662	S	S	*	*	H	α-helix	trans	-72.8	-30.7	177.4	-77.2	166.1	0	0	0	112.9	C16 L17	C16-L20 WeakPolarHBondContact O-CG 3.34Å; C16-L20 PolarHBondContact O-N 2.99Å; L17-L20 PolarHBondContact O-N 3.4Å
21	F	49	Very low	46.5	Very low	181 Å²	181	109.8 Å²	109.8	79%	0.794	67%	0.672	S	S	*	*	H	α-helix	trans	-79.4	-21.8	173.6	-83.5	-76.1	0	0	0	113.5	L17	L17-F21 WeakPolarHBondContact O-CD2 3.44Å; L17-F21 PolarHBondContact O-N 2.92Å
22	Y	48.4	Very low	44.8	Very low	213 Å²	213	115 Å²	115	84%	0.835	68%	0.682	S	S	*	*	H	α-helix	trans	-86.1	-18.3	-179	-146.7	-93	0	0	0	113.9	A18 L19	A18-Y22 PolarHBondContact O-N 3.27Å; L19-Y22 PolarHBondContact O-N 3.23Å
23	L	47.7	Very low	43	Very low	138 Å²	138	123.8 Å²	123.8	72%	0.723	71%	0.705	S	S	*	*	S	Bend	trans	-112.5	-1	-173.1	-73.7	167.4	0	0	0	115	L19	L19-L23 HydrophobicContact CD2-CD1 3.73Å; L19-L23 PolarHBondContact O-N 3.09Å
24	G	37.8	Very low	41.3	Very low	70 Å²	70	126.4 Å²	126.4	72%	0.722	72%	0.72	S	S	*	*			trans	-110.7	50.8	-171	0	0	0	0	0	115.3
25	G	32.3	Very low	39.6	Very low	64 Å²	64	135.8 Å²	135.8	66%	0.66	74%	0.741	S	S	*	*			trans	-109.4	128.8	166.2	0	0	0	0	0	110.6
26	V	30.6	Very low	37.8	Very low	153 Å²	153	141.5 Å²	141.5	93%	0.927	76%	0.758	S	S	*	*			trans	165.1	142.9	146.5	160.9	0	0	0	0	110.5
27	E	27.5	Very low	36.2	Very low	168 Å²	168	145.4 Å²	145.4	79%	0.785	77%	0.774	S	S	*	*			trans	-82.6	150.2	-171.5	-57.8	172.3	135.6	0	0	115.9
28	L	26.8	Very low	34.8	Very low	158 Å²	158	151.3 Å²	151.3	83%	0.827	79%	0.788	S	S	*	*			trans	50.8	167.6	140.7	-73	163.3	0	0	0	121.5
29	P	35.9	Very low	33.4	Very low	113 Å²	113	153.2 Å²	153.2	73%	0.734	80%	0.798	S	S	*	*			cis	-137.9	178.9	-13	30.9	-7.3	0	0	0	117
30	A	24.6	Very low	31.9	Very low	99 Å²	99	159.8 Å²	159.8	82%	0.818	82%	0.816	S	S	*	*			trans	73.8	123.5	149.2	0	0	0	0	0	122.6
31	A	26.5	Very low	30.5	Very low	104 Å²	104	159.1 Å²	159.1	86%	0.86	82%	0.822	S	S	*	*				167	141.8	109.3	0	0	0	0	0	114.1
32	R	26.6	Very low	29.2	Very low	242 Å²	242	153.6 Å²	153.6	91%	0.913	82%	0.816	S	S	*	*			trans	-54.1	145.4	171.9	-74.4	167.2	161.1	169.9	-5.7	113.8
33	R	25.3	Very low	28	Very low	253 Å²	253	154.1 Å²	154.1	96%	0.955	82%	0.818	S	S	*	*				-167.8	138	124.4	-108.6	169.5	-176	-178.6	2	113.4
34	S	24.7	Very low	27	Very low	106 Å²	106	158.5 Å²	158.5	74%	0.741	83%	0.825	S	S	*	*			trans	-73.3	144.5	173.3	158.6	0	0	0	0	112
35	R	24.4	Very low	26.7	Very low	242 Å²	242	160.7 Å²	160.7	91%	0.913	83%	0.826	S	S	*	*				-172.2	137.4	127.3	-109.8	174.3	175.6	175.4	-2.8	113
36	Q	26.3	Very low	26.3	Very low	177 Å²	177	166.7 Å²	166.7	83%	0.827	84%	0.837	S	S	*	*			trans	-60.3	147.6	166.1	-70.8	158.4	-57.4	0	0	111.7
37	D	24.9	Very low	26.2	Very low	166 Å²	166	168.6 Å²	168.6	89%	0.888	84%	0.836	S	S	*	*				-165.4	158.2	117.3	-119.4	-30.3	0	0	0	114.9
38	R	24.9	Very low	26.3	Very low	229 Å²	229	165.9 Å²	165.9	86%	0.864	83%	0.833	S	S	*	*			trans	-95.1	147.7	-167.9	-87.2	173.8	157.9	179.5	-5.2	114.5
39	S	25.3	Very low	26.3	Very low	106 Å²	106	170.2 Å²	170.2	74%	0.741	84%	0.839	S	S	*	*			trans	97.1	133.2	131.7	74.9	0	0	0	0	123.9
40	R	25.3	Very low	25.9	Very low	244 Å²	244	170.5 Å²	170.5	92%	0.921	84%	0.84	S	S	*	*			trans	70.4	142.9	146	-82.2	177.5	153.8	175.4	-6.9	119.2
41	S	25.1	Very low	26.1	Very low	115 Å²	115	174.7 Å²	174.7	80%	0.804	84%	0.842	S	S	*	*			cis	178.9	134.5	-11	153.9	0	0	0	0	107.6
42	G	22.9	Very low	26.3	Very low	66 Å²	66	181.2 Å²	181.2	68%	0.68	85%	0.847	S	S	*	*			trans	104.4	118.1	143.8	0	0	0	0	0	122.1
43	Y	21.6	Very low	26.5	Very low	224 Å²	224	174.6 Å²	174.6	88%	0.878	84%	0.838	S	S	*	*			trans	87.4	101	141	-84.6	-91.9	0	0	0	124.9
44	R	28.2	Very low	26.6	Very low	230 Å²	230	169.8 Å²	169.8	87%	0.868	83%	0.831	S	S	*	*			trans	20.1	155.4	134.5	-73.5	-175.7	178.6	-177.1	-0.1	122.4
45	P	30.3	Very low	26.8	Very low	115 Å²	115	170.5 Å²	170.5	75%	0.747	83%	0.833	S	S	*	*			cis	-143.3	175	29.4	39.4	-17.5	0	0	0	119.2
46	E	24.4	Very low	27	Very low	191 Å²	191	167.2 Å²	167.2	89%	0.893	83%	0.832	S	S	*	*			trans	72.5	103.1	161.5	-71	-177.6	-173.8	0	0	121.6
47	Q	28.5	Very low	27	Very low	193 Å²	193	167.5 Å²	167.5	90%	0.902	83%	0.833	S	S	*	*			trans	-144.5	157.6	160.9	-98.1	-166.7	-19.7	0	0	111.5
48	P	29.8	Very low	27.2	Very low	111 Å²	111	164 Å²	164	72%	0.721	83%	0.828	S	S	*	*			trans	-85.8	164.4	-164.7	9.3	9.3	0	0	0	114.6
49	W	25.8	Very low	27.2	Very low	249 Å²	249	162.9 Å²	162.9	94%	0.943	83%	0.83	S	S	*	*			trans	-36.4	132.6	178.8	-64	86.9	0	0	0	116.4
50	P	29	Very low	27.3	Very low	118 Å²	118	165 Å²	165	77%	0.766	83%	0.832	S	S	*	*			trans	-95.5	147.5	176.5	32.1	-24.9	0	0	0	114.3
51	H	28	Very low	27.5	Very low	187 Å²	187	159 Å²	159	87%	0.866	83%	0.825	S	S	*	*			trans	-69.2	142.3	176	-89.2	-92.7	0	0	0	113	S53	H51-S53 PolarHBondContact O-N 3.17Å; H51-S53 VanDerWaalsContact O-N 3.1Å
52	Y	30.5	Very low	27.6	Very low	241 Å²	241	165.7 Å²	165.7	95%	0.945	83%	0.832	S	S	*	*	S	Bend	trans	-76.5	83.7	179.6	-95.3	-97.2	0	0	0	112.4
53	S	32.2	Very low	28	Very low	104 Å²	104	169.2 Å²	169.2	73%	0.727	84%	0.835	S	S	*	*			trans	-174.6	67.8	157.8	50.9	0	0	0	0	110.5	H51	H51-S53 PolarHBondContact O-N 3.17Å; H51-S53 VanDerWaalsContact O-N 3.1Å
54	D	26.3	Very low	28.5	Very low	152 Å²	152	167.1 Å²	167.1	81%	0.813	83%	0.834	S	S	*	*	S	Bend	trans	-145.3	143.4	159	-101.4	-28.1	0	0	0	108.8	L56	D54-L56 PolarHBondContact O-N 3.36Å
55	P	29.9	Very low	28.5	Very low	120 Å²	120	161.7 Å²	161.7	78%	0.779	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-69.5	124.3	-175.7	26.4	-30.4	0	0	0	110.7	H57	P55-H57 PolarHBondContact O-N 3.19Å
56	L	27.6	Very low	28.5	Very low	173 Å²	173	163 Å²	163	91%	0.906	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-59.4	124.2	174.4	-72.3	164.9	0	0	0	109.8	D54 A58	D54-L56 PolarHBondContact O-N 3.36Å; L56-A58 PolarHBondContact O-N 3.39Å; L56-A58 VanDerWaalsContact O-N 3.17Å
57	H	26.6	Very low	29	Very low	183 Å²	183	159.5 Å²	159.5	85%	0.847	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-53.3	120.1	166.2	-89.5	-72.9	0	0	0	109.5	P55 F59	P55-H57 PolarHBondContact O-N 3.19Å; H57-F59 PolarHBondContact O-N 3.49Å
58	A	28.2	Very low	29.2	Very low	94 Å²	94	159 Å²	159	78%	0.777	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-59.9	120.3	171.5	0	0	0	0	0	109.3	L56 L60	L56-A58 PolarHBondContact O-N 3.39Å; L56-A58 VanDerWaalsContact O-N 3.17Å; A58-L60 PolarHBondContact O-N 2.91Å
59	F	24.8	Very low	29.3	Very low	205 Å²	205	160.3 Å²	160.3	90%	0.899	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-61.2	119.9	164	-88.2	-97.2	0	0	0	108.1	H57 P61	H57-F59 PolarHBondContact O-N 3.49Å; F59-P61 WeakPolarHBondContact O-CD 3.48Å
60	L	29	Very low	29.8	Very low	151 Å²	151	158.1 Å²	158.1	79%	0.791	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-55.4	124.3	171.3	-74	159.4	0	0	0	109.4	A58 W62	A58-L60 PolarHBondContact O-N 2.91Å; L60-W62 PolarHBondContact O-N 3.3Å
61	P	28.1	Very low	30.2	Very low	118 Å²	118	157 Å²	157	77%	0.766	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-65.8	119.1	164.6	-13.5	28.3	0	0	0	108.2	F59 D63	F59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-D63 PolarHBondContact O-N 3.34Å
62	W	28.5	Very low	30.8	Very low	254 Å²	254	155.2 Å²	155.2	96%	0.962	79%	0.794	S	S	*	*			trans	-70	88.6	160.6	-83.5	52	0	0	0	107.5	L60	L60-W62 PolarHBondContact O-N 3.3Å
63	D	31.6	Very low	31.6	Very low	140 Å²	140	152.6 Å²	152.6	75%	0.749	79%	0.79	S	S	*	*			trans	-151.5	79	161.7	-128	-1.7	0	0	0	107.8	P61	P61-D63 PolarHBondContact O-N 3.34Å
64	Q	30.8	Very low	32.3	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	78%	0.78	S	S	*	*			trans	-138.5	28	-179.7	-128.9	-178.3	39.1	0	0	112.8
65	T	28.2	Very low	33.5	Very low	116 Å²	116	147.8 Å²	147.8	71%	0.712	76%	0.759	S	S	*	*	S	Bend	trans	-113.8	-8.4	179.9	42.4	0	0	0	0	116.7
66	D	31.4	Very low	34.3	Very low	143 Å²	143	146.8 Å²	146.8	77%	0.765	75%	0.753	S	S	*	*	S	Bend	trans	-117	17.5	-171.9	-73.3	-0.4	0	0	0	116.1
67	T	33.5	Very low	35.3	Very low	116 Å²	116	143.2 Å²	143.2	71%	0.712	74%	0.738	S	S	*	*			trans	-104.9	15.3	179.9	30.3	0	0	0	0	116.1
68	E	33.2	Very low	36.6	Very low	183 Å²	183	139.1 Å²	139.1	86%	0.855	72%	0.72	S	S	*	*	S	Bend	trans	-82.4	-18.4	-179.9	-67.9	-134.4	138.1	0	0	114.9
69	D	32.8	Very low	37.6	Very low	138 Å²	138	139.3 Å²	139.3	74%	0.738	70%	0.703	S	S	*	*	S	Bend	trans	-101.6	3.9	-164.2	-93.3	-15	0	0	0	118.5
70	Y	35	Very low	38.9	Very low	203 Å²	203	138.8 Å²	138.8	80%	0.796	70%	0.695	S	S	*	*			trans	-126.7	20.6	-173.1	-63.9	-74.5	0	0	0	116.6
71	N	37.4	Very low	40.1	Very low	95 Å²	95	135.2 Å²	135.2	51%	0.508	68%	0.677	S	S	.	*			trans	-99.9	71.8	175.6	-79.5	-62.6	0	0	0	112.5
72	L	40.4	Very low	41.3	Very low	149 Å²	149	131.1 Å²	131.1	78%	0.78	65%	0.649	S	S	*	*			trans	-90.4	5.7	-174	-97.2	162	0	0	0	116.9
73	H	48.1	Very low	42.4	Very low	187 Å²	187	123.3 Å²	123.3	87%	0.866	63%	0.627	S	S	*	*	S	Bend	trans	-133.9	20.2	-174.6	-70.8	-45.7	0	0	0	118
74	I	46.3	Very low	43.3	Very low	101 Å²	101	124.3 Å²	124.3	52%	0.518	62%	0.62	S	S	.	*	S	Bend	trans	-129.5	127.9	173.3	-56.6	174.9	0	0	0	109.9	Q78 K79	I74-Q78 HydrophobicContact CG2-CB 3.94Å; I74-Q78 HydrophobicContact CG2-CG 4.17Å; I74-K79 HydrophobicContact CG2-CB 4.3Å
75	S	51.5	Low	44.4	Very low	54 Å²	54	116.2 Å²	116.2	38%	0.378	58%	0.583	S	S	.	*			trans	-61.4	143	177.2	69.7	0	0	0	0	111.1	T77 Q78 K79	S75-T77 PolarHBondContact O-N 3.44Å; S75-T77 VanDerWaalsContact O-N 3.1Å; S75-Q78 PolarHBondContact O-N 3.04Å; S75-Q78 WeakPolarHBondContact OG-CB 3.49Å; S75-Q78 PolarHBondContact OG-N 3.22Å; S75-K79 PolarHBondContact O-N 3.2Å
76	P	47.1	Very low	45.6	Very low	99 Å²	99	113.6 Å²	113.6	64%	0.643	57%	0.567	S	S	*	*	H	α-helix	trans	-55.4	-31.5	-179.7	-27.2	34.4	0	0	0	113.9	R80	P76-R80 WeakPolarHBondContact O-CG 3.42Å; P76-R80 PolarHBondContact O-N 3.47Å; P76-R80 VanDerWaalsContact O-N 3.08Å
77	T	49.7	Very low	46.5	Very low	97 Å²	97	115 Å²	115	60%	0.595	56%	0.563	S	S	*	*	H	α-helix	trans	-67.3	-45.5	176.3	-15	0	0	0	0	111.5	S75 K79 R80 D81	S75-T77 PolarHBondContact O-N 3.44Å; S75-T77 VanDerWaalsContact O-N 3.1Å; T77-K79 PolarHBondContact O-N 3.36Å; T77-R80 PolarHBondContact O-N 2.94Å; T77-D81 PolarHBondContact O-N 3.44Å
78	Q	52.2	Low	47.5	Very low	98 Å²	98	116.9 Å²	116.9	46%	0.458	56%	0.557	S	S	.	*	H	α-helix	trans	-67.7	-36.3	178.7	-165.2	170.8	5.7	0	0	111.5	I74 S75 D81 V82	I74-Q78 HydrophobicContact CG2-CB 3.94Å; I74-Q78 HydrophobicContact CG2-CG 4.17Å; S75-Q78 PolarHBondContact O-N 3.04Å; S75-Q78 WeakPolarHBondContact OG-CB 3.49Å; S75-Q78 PolarHBondContact OG-N 3.22Å; Q78-D81 PolarHBondContact O-N 2.9Å; Q78-V82 WeakPolarHBondContact O-CB 3.39Å; Q78-V82 WeakPolarHBondContact O-CG2 3.43Å; Q78-V82 PolarHBondContact O-N 3.43Å
79	K	50.1	Low	48.8	Very low	98 Å²	98	108.4 Å²	108.4	43%	0.426	52%	0.519	S	S	.	.	H	α-helix	trans	-64.2	-39.2	172.5	-166.9	171.3	-178.6	175.2	0	112.2	I74 S75 T77 N83	I74-K79 HydrophobicContact CG2-CB 4.3Å; S75-K79 PolarHBondContact O-N 3.2Å; T77-K79 PolarHBondContact O-N 3.36Å; K79-N83 WeakPolarHBondContact O-CB 3.45Å; K79-N83 VanDerWaalsContact O-CG 3.25Å; K79-N83 PolarHBondContact O-N 3.2Å
80	R	51.7	Low	50.4	Low	193 Å²	193	107.3 Å²	107.3	73%	0.728	51%	0.508	S	S	*	.	H	α-helix	trans	-69	-41.7	176.3	-77.8	178.2	-179.4	176.7	1.4	113	P76 T77 N83 R84	P76-R80 WeakPolarHBondContact O-CG 3.42Å; P76-R80 PolarHBondContact O-N 3.47Å; P76-R80 VanDerWaalsContact O-N 3.08Å; T77-R80 PolarHBondContact O-N 2.94Å; R80-N83 PolarHBondContact O-N 3.17Å; R80-R84 WeakPolarHBondContact O-CB 3.5Å; R80-R84 PolarHBondContact O-N 3.43Å
81	D	54.6	Low	52.4	Low	77 Å²	77	107 Å²	107	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-66.5	-43	178.1	-75.9	-18.5	0	0	0	111.7	T77 Q78 R84 S85	T77-D81 PolarHBondContact O-N 3.44Å; Q78-D81 PolarHBondContact O-N 2.9Å; D81-R84 PolarHBondContact O-N 2.94Å; D81-S85 WeakPolarHBondContact O-CB 3.39Å; D81-S85 PolarHBondContact O-N 2.62Å
82	V	53.6	Low	54.8	Low	31 Å²	31	102.7 Å²	102.7	19%	0.188	48%	0.482	C	S	.	.	H	α-helix	trans	-62.1	-46.8	174.4	172.4	0	0	0	0	110.6	Q78 R84 S85 V86	Q78-V82 WeakPolarHBondContact O-CB 3.39Å; Q78-V82 WeakPolarHBondContact O-CG2 3.43Å; Q78-V82 PolarHBondContact O-N 3.43Å; V82-R84 VanDerWaalsContact C-N 3.3Å; V82-R84 PolarHBondContact O-N 3.38Å; V82-S85 PolarHBondContact O-N 2.89Å; V82-V86 HydrophobicContact CG1-CG2 4.23Å; V82-V86 VanDerWaalsContact O-CG2 3.26Å; V82-V86 WeakPolarHBondContact O-CG2 3.41Å; V82-V86 PolarHBondContact O-N 3.31Å
83	N	50.3	Low	57.2	Low	91 Å²	91	103.5 Å²	103.5	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-61.6	-36.2	177.5	-79.5	-9.3	0	0	0	113.1	K79 R80 Y87	K79-N83 WeakPolarHBondContact O-CB 3.45Å; K79-N83 VanDerWaalsContact O-CG 3.25Å; K79-N83 PolarHBondContact O-N 3.2Å; R80-N83 PolarHBondContact O-N 3.17Å; N83-Y87 WeakPolarHBondContact O-CB 3.4Å; N83-Y87 PolarHBondContact O-N 3.15Å
84	R	51.9	Low	59.3	Low	160 Å²	160	95.6 Å²	95.6	60%	0.604	44%	0.439	S	S	*	.	H	α-helix	trans	-71.5	-36.3	177.4	-168.6	176.3	175.7	-172	-1.3	112	R80 D81 V82 R88	R80-R84 WeakPolarHBondContact O-CB 3.5Å; R80-R84 PolarHBondContact O-N 3.43Å; D81-R84 PolarHBondContact O-N 2.94Å; V82-R84 VanDerWaalsContact C-N 3.3Å; V82-R84 PolarHBondContact O-N 3.38Å; R84-R88 PolarHBondContact O-N 3.42Å
85	S	52.8	Low	61.3	Low	11 Å²	11	96.6 Å²	96.6	8%	0.077	45%	0.445	C	S	.	.	H	α-helix	trans	-66.2	-48.3	171.5	168.8	0	0	0	0	111.8	D81 V82 Y87 R88 G89 D204	D81-S85 WeakPolarHBondContact O-CB 3.39Å; D81-S85 PolarHBondContact O-N 2.62Å; V82-S85 PolarHBondContact O-N 2.89Å; S85-Y87 VanDerWaalsContact C-N 3.26Å; S85-Y87 PolarHBondContact O-N 3.49Å; S85-R88 CarbonylContact O-C 3.38Å; S85-R88 WeakPolarHBondContact O-CA 3.46Å; S85-R88 PolarHBondContact O-N 3.1Å; S85-G89 PolarHBondContact O-N 3.18Å; S85-D204 WeakPolarHBondContact CB-OD1 3.49Å; S85-D204 VanDerWaalsContact OG-CG 3.32Å; S85-D204 PolarHBondContact OG-OD1 2.88Å
86	V	54.1	Low	63.2	Low	62 Å²	62	96.3 Å²	96.3	38%	0.376	44%	0.443	S	S	.	.	H	α-helix	trans	-56.8	-40.2	176.3	171.8	0	0	0	0	111.1	V82 G89 K90	V82-V86 HydrophobicContact CG1-CG2 4.23Å; V82-V86 VanDerWaalsContact O-CG2 3.26Å; V82-V86 WeakPolarHBondContact O-CG2 3.41Å; V82-V86 PolarHBondContact O-N 3.31Å; V86-G89 PolarHBondContact O-N 3.46Å; V86-K90 HydrophobicContact CG1-CD 4.43Å; V86-K90 WeakPolarHBondContact O-CB 3.47Å; V86-K90 VanDerWaalsContact O-CG 3.32Å; V86-K90 WeakPolarHBondContact O-CG 3.11Å; V86-K90 PolarHBondContact O-N 3.02Å
87	Y	49.9	Very low	65.4	Low	171 Å²	171	92 Å²	92	67%	0.671	42%	0.415	S	S	*	.	H	α-helix	trans	-66.7	-33.3	174.7	-110.3	-89.3	0	0	0	114.2	N83 S85	N83-Y87 WeakPolarHBondContact O-CB 3.4Å; N83-Y87 PolarHBondContact O-N 3.15Å; S85-Y87 VanDerWaalsContact C-N 3.26Å; S85-Y87 PolarHBondContact O-N 3.49Å
88	R	54.1	Low	67.6	Low	156 Å²	156	87.7 Å²	87.7	59%	0.589	39%	0.388	S	S	*	.	H	α-helix	trans	-74.7	-43.7	173.5	-78.1	-179.7	175.3	-178.9	-2.4	111.3	R84 S85 K90 R91	R84-R88 PolarHBondContact O-N 3.42Å; S85-R88 CarbonylContact O-C 3.38Å; S85-R88 WeakPolarHBondContact O-CA 3.46Å; S85-R88 PolarHBondContact O-N 3.1Å; R88-K90 PolarHBondContact O-N 3.48Å; R88-R91 PolarHBondContact O-N 3.07Å
89	G	60.4	Low	69.6	Low	6 Å²	6	86.3 Å²	86.3	6%	0.062	38%	0.384	C	S	.	.	H	α-helix	trans	-60.6	-42.5	178.6	0	0	0	0	0	112.6	S85 V86 R91 C92 R221	S85-G89 PolarHBondContact O-N 3.18Å; V86-G89 PolarHBondContact O-N 3.46Å; G89-R91 PolarHBondContact O-N 2.94Å; G89-C92 WeakPolarHBondContact O-CB 3.3Å; G89-C92 PolarHBondContact O-N 2.93Å; G89-R221 WeakPolarHBondContact O-CD 3.19Å; G89-R221 PolarHBondContact O-NH1 3.37Å
90	K	66.5	Low	71.6	Confident	115 Å²	115	83.7 Å²	83.7	50%	0.5	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15.4	178.1	-80.2	-171.1	-179.8	-154	0	114.9	V86 R88 N219	V86-K90 HydrophobicContact CG1-CD 4.43Å; V86-K90 WeakPolarHBondContact O-CB 3.47Å; V86-K90 VanDerWaalsContact O-CG 3.32Å; V86-K90 WeakPolarHBondContact O-CG 3.11Å; V86-K90 PolarHBondContact O-N 3.02Å; R88-K90 PolarHBondContact O-N 3.48Å; K90-N219 PolarHBondContact NZ-OD1 3.39Å
91	R	78.3	Confident	73.6	Confident	195 Å²	195	77.4 Å²	77.4	74%	0.736	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-0.4	177.1	-65	-174.2	179.8	179.5	0.3	113.8	R88 G89 R93	R88-R91 PolarHBondContact O-N 3.07Å; G89-R91 PolarHBondContact O-N 2.94Å; R91-R93 PolarHBondContact O-N 3.34Å
92	C	86.9	Confident	75.3	Confident	6 Å²	6	76.6 Å²	76.6	4%	0.041	35%	0.354	C	S	.	.			trans	-70	128.6	-179.4	-81	0	0	0	0	112.3	G89 C97 F224	G89-C92 WeakPolarHBondContact O-CB 3.3Å; G89-C92 PolarHBondContact O-N 2.93Å; C92-C97 WeakPolarHBondContact CA-SG 3.41Å; C92-C97 HydrophobicContact CB-CB 3.57Å; C92-C97 WeakPolarHBondContact CB-SG 3.29Å; C92-C97 WeakPolarHBondContact SG-CB 3.18Å; C92-C97 CovalentContact SG-SG 2.05Å; C92-C97 PolarHBondContact SG-SG 3.01Å; C92-F224 HydrophobicContact CB-CD1 3.95Å; C92-F224 HydrophobicContact CB-CE1 3.71Å; C92-F224 HydrophobicContact CB-CE2 4.48Å; C92-F224 HydrophobicContact CB-CG 4.43Å; C92-F224 HydrophobicContact CB-CZ 4Å
93	R	90.5	Very high	77.1	Confident	166 Å²	166	75.2 Å²	75.2	63%	0.626	35%	0.345	S	S	*	.			trans	-126.6	168.9	169.1	-62.4	177.1	179.3	-104.2	-3.8	108.6	R91 D95 S96 C97 F224	R91-R93 PolarHBondContact O-N 3.34Å; R93-D95 VanDerWaalsContact C-N 3.28Å; R93-D95 WeakPolarHBondContact CB-OD1 3.21Å; R93-D95 PolarHBondContact O-N 2.98Å; R93-S96 PolarHBondContact N-OG 3.02Å; R93-S96 PolarHBondContact O-N 3.45Å; R93-S96 VanDerWaalsContact O-N 3.17Å; R93-S96 PolarHBondContact O-OG 3.13Å; R93-C97 PolarHBondContact O-N 3.5Å; R93-F224 VanDerWaalsContact C-CD2 3.47Å
94	M	92.1	Very high	79	Confident	20 Å²	20	78 Å²	78	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-56.8	-43.2	177	-70.5	-63	-62.4	0	0	111.4	S96 F98 F100 M209 N223 F224 R427 V428	M94-S96 VanDerWaalsContact C-N 3.33Å; M94-S96 PolarHBondContact O-N 3.09Å; M94-F98 HydrophobicContact CE-CB 4.11Å; M94-F98 HydrophobicContact CE-CD1 3.94Å; M94-F98 HydrophobicContact CE-CD2 4.29Å; M94-F98 HydrophobicContact CE-CE1 4.46Å; M94-F98 HydrophobicContact CE-CG 3.85Å; M94-F98 VanDerWaalsContact O-CB 3.25Å; M94-F98 WeakPolarHBondContact O-CB 3.4Å; M94-F98 PolarHBondContact O-N 3.06Å; M94-F98 HydrophobicContact SD-CB 4.37Å; M94-F100 HydrophobicContact CB-CZ 3.95Å; M94-F100 HydrophobicContact CE-CE1 4.01Å; M94-F100 HydrophobicContact CE-CZ 4.14Å; M94-F100 WeakPolarHBondContact O-CE2 3.5Å; M94-M209 HydrophobicContact SD-CE 3.77Å; M94-N223 WeakPolarHBondContact CG-O 3.35Å; M94-F224 HydrophobicContact CG-CD2 4.32Å; M94-F224 HydrophobicContact SD-CD2 3.87Å; M94-F224 HydrophobicContact SD-CE2 4.34Å; M94-R427 HydrophobicContact CE-CB 3.94Å; M94-R427 HydrophobicContact CG-CB 4.47Å; M94-R427 HydrophobicContact SD-CB 4.44Å; M94-V428 HydrophobicContact CE-CG2 4.1Å
95	D	90.1	Very high	80.8	Confident	122 Å²	122	78.6 Å²	78.6	65%	0.652	36%	0.362	S	S	*	.	H	α-helix	trans	-66.8	-28.4	178.4	59.6	-66.8	0	0	0	114.3	R93	R93-D95 VanDerWaalsContact C-N 3.28Å; R93-D95 WeakPolarHBondContact CB-OD1 3.21Å; R93-D95 PolarHBondContact O-N 2.98Å
96	S	90.9	Very high	82.6	Confident	48 Å²	48	79.9 Å²	79.9	34%	0.336	37%	0.369	S	S	.	.	H	α-helix	trans	-97.7	-38.7	-172.3	73.7	0	0	0	0	113.6	R93 M94 R182	R93-S96 PolarHBondContact N-OG 3.02Å; R93-S96 PolarHBondContact O-N 3.45Å; R93-S96 VanDerWaalsContact O-N 3.17Å; R93-S96 PolarHBondContact O-OG 3.13Å; M94-S96 VanDerWaalsContact C-N 3.33Å; M94-S96 PolarHBondContact O-N 3.09Å; S96-R182 PolarHBondContact O-NH2 2.91Å
97	C	93.1	Very high	84.3	Confident	9 Å²	9	78.4 Å²	78.4	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-115.8	-4.3	-168.8	-69.3	0	0	0	0	113.8	C92 R93 Q207 F224	C92-C97 WeakPolarHBondContact CA-SG 3.41Å; C92-C97 HydrophobicContact CB-CB 3.57Å; C92-C97 WeakPolarHBondContact CB-SG 3.29Å; C92-C97 WeakPolarHBondContact SG-CB 3.18Å; C92-C97 CovalentContact SG-SG 2.05Å; C92-C97 PolarHBondContact SG-SG 3.01Å; R93-C97 PolarHBondContact O-N 3.5Å; C97-Q207 HydrophobicContact CB-CB 4.04Å; C97-Q207 HydrophobicContact CB-CG 4.45Å; C97-F224 HydrophobicContact CB-CE2 3.87Å; C97-F224 HydrophobicContact CB-CZ 3.71Å
98	F	94.8	Very high	86.4	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.026	34%	0.336	C	S	.	.			trans	-116.4	136.9	174.2	-167.2	-88.7	0	0	0	110.1	M94 F100 L147 N183 F224 V428	M94-F98 HydrophobicContact CE-CB 4.11Å; M94-F98 HydrophobicContact CE-CD1 3.94Å; M94-F98 HydrophobicContact CE-CD2 4.29Å; M94-F98 HydrophobicContact CE-CE1 4.46Å; M94-F98 HydrophobicContact CE-CG 3.85Å; M94-F98 VanDerWaalsContact O-CB 3.25Å; M94-F98 WeakPolarHBondContact O-CB 3.4Å; M94-F98 PolarHBondContact O-N 3.06Å; M94-F98 HydrophobicContact SD-CB 4.37Å; F98-F100 AromaticContact CD1-CD1 3.99Å; F98-F100 HydrophobicContact CD1-CD1 3.99Å; F98-F100 HydrophobicContact CD1-CD2 4.27Å; F98-F100 HydrophobicContact CD1-CE1 4.04Å; F98-F100 HydrophobicContact CD1-CE2 4.3Å; F98-F100 HydrophobicContact CD1-CG 4.13Å; F98-F100 HydrophobicContact CD1-CZ 4.21Å; F98-F100 HydrophobicContact CE1-CD1 4.17Å; F98-F100 HydrophobicContact CE1-CE1 4.49Å; F98-F100 HydrophobicContact CE1-CG 4.47Å; F98-L147 HydrophobicContact CE2-CD1 3.92Å; F98-N183 HydrophobicContact CE2-CB 4.27Å; F98-F224 HydrophobicContact CB-CE2 4.45Å; F98-V428 HydrophobicContact CD1-CG2 4.4Å; F98-V428 HydrophobicContact CE1-CG2 3.61Å; F98-V428 HydrophobicContact CZ-CG2 3.83Å
99	D	94.1	Very high	88.4	Confident	70 Å²	70	66.4 Å²	66.4	37%	0.374	32%	0.322	S	S	.	.			trans	-101.9	118.4	174.5	-177.4	-7.9	0	0	0	110.2	S101 N183	D99-S101 VanDerWaalsContact CG-OG 3.3Å; D99-S101 VanDerWaalsContact OD1-CB 3.24Å; D99-S101 WeakPolarHBondContact OD1-CB 3.37Å; D99-S101 PolarHBondContact OD1-N 3.34Å; D99-S101 PolarHBondContact OD1-OG 3.13Å; D99-S101 PolarHBondContact OD2-OG 3.13Å; D99-N183 PolarHBondContact N-OD1 2.98Å; D99-N183 PolarHBondContact O-ND2 2.82Å
100	F	93.9	Very high	90.2	Very high	43 Å²	43	66.1 Å²	66.1	19%	0.189	32%	0.319	C	S	.	.			trans	-86.6	-11.8	-176	-59.5	-95.7	0	0	0	113.9	M94 F98 L102 C103 Q104 V428	M94-F100 HydrophobicContact CB-CZ 3.95Å; M94-F100 HydrophobicContact CE-CE1 4.01Å; M94-F100 HydrophobicContact CE-CZ 4.14Å; M94-F100 WeakPolarHBondContact O-CE2 3.5Å; F98-F100 AromaticContact CD1-CD1 3.99Å; F98-F100 HydrophobicContact CD1-CD1 3.99Å; F98-F100 HydrophobicContact CD1-CD2 4.27Å; F98-F100 HydrophobicContact CD1-CE1 4.04Å; F98-F100 HydrophobicContact CD1-CE2 4.3Å; F98-F100 HydrophobicContact CD1-CG 4.13Å; F98-F100 HydrophobicContact CD1-CZ 4.21Å; F98-F100 HydrophobicContact CE1-CD1 4.17Å; F98-F100 HydrophobicContact CE1-CE1 4.49Å; F98-F100 HydrophobicContact CE1-CG 4.47Å; F100-L102 PolarHBondContact O-N 3.06Å; F100-C103 PolarHBondContact O-N 3.06Å; F100-C103 VanDerWaalsContact O-N 3.08Å; F100-Q104 HydrophobicContact CB-CG 4.41Å; F100-Q104 WeakPolarHBondContact O-CG 3.41Å; F100-Q104 PolarHBondContact O-N 3.48Å; F100-V428 HydrophobicContact CD1-CB 4.48Å; F100-V428 HydrophobicContact CD1-CG1 4.27Å; F100-V428 HydrophobicContact CD1-CG2 4.39Å; F100-V428 HydrophobicContact CE1-CG2 4.4Å
101	S	91.8	Very high	91.7	Very high	61 Å²	61	62.2 Å²	62.2	43%	0.427	30%	0.301	S	S	.	.	H	α-helix	trans	-55.7	-47.2	-167.8	58.3	0	0	0	0	113.5	D99 K105	D99-S101 VanDerWaalsContact CG-OG 3.3Å; D99-S101 VanDerWaalsContact OD1-CB 3.24Å; D99-S101 WeakPolarHBondContact OD1-CB 3.37Å; D99-S101 PolarHBondContact OD1-N 3.34Å; D99-S101 PolarHBondContact OD1-OG 3.13Å; D99-S101 PolarHBondContact OD2-OG 3.13Å; S101-K105 PolarHBondContact O-N 2.69Å
102	L	91.2	Very high	92.6	Very high	60 Å²	60	53.3 Å²	53.3	31%	0.314	27%	0.268	S	S	.	.	H	α-helix	trans	-70	-37.1	178.3	-69.8	173.5	0	0	0	112.4	F100 K105 N106 A145 C146	F100-L102 PolarHBondContact O-N 3.06Å; L102-K105 PolarHBondContact O-N 2.96Å; L102-N106 PolarHBondContact O-N 3.42Å; L102-A145 WeakPolarHBondContact CD1-O 3.3Å; L102-C146 HydrophobicContact CB-CB 3.73Å
103	C	91.8	Very high	92.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-38.7	178.3	-60.3	0	0	0	0	111.8	F100 K105 G107 C146 V428	F100-C103 PolarHBondContact O-N 3.06Å; F100-C103 VanDerWaalsContact O-N 3.08Å; C103-K105 VanDerWaalsContact C-N 3.3Å; C103-K105 PolarHBondContact O-N 3.22Å; C103-G107 CarbonylContact O-C 3.5Å; C103-G107 VanDerWaalsContact O-C 3.27Å; C103-G107 WeakPolarHBondContact O-CA 3.42Å; C103-G107 PolarHBondContact O-N 2.68Å; C103-C146 WeakPolarHBondContact CA-SG 3.35Å; C103-C146 HydrophobicContact CB-CB 3.78Å; C103-C146 WeakPolarHBondContact CB-SG 3.35Å; C103-C146 VanDerWaalsContact N-CB 3.34Å; C103-C146 WeakPolarHBondContact SG-CB 3.33Å; C103-C146 CovalentContact SG-SG 2.02Å; C103-C146 PolarHBondContact SG-SG 2.75Å; C103-V428 HydrophobicContact CB-CG1 3.37Å; C103-V428 VanDerWaalsContact SG-CG1 3.57Å
104	Q	89.3	Confident	93	Very high	150 Å²	150	49.8 Å²	49.8	70%	0.701	27%	0.265	S	S	*	.	H	α-helix	trans	-67.2	-33.8	178.4	-72.2	176.8	-9.7	0	0	111.7	F100	F100-Q104 HydrophobicContact CB-CG 4.41Å; F100-Q104 WeakPolarHBondContact O-CG 3.41Å; F100-Q104 PolarHBondContact O-N 3.48Å
105	K	89.7	Confident	92.8	Very high	172 Å²	172	53.9 Å²	53.9	75%	0.748	28%	0.284	S	S	*	.	H	α-helix	trans	-79.6	-47.1	-178.9	-170.4	-176.1	176	-178.7	0	113.4	S101 L102 C103	S101-K105 PolarHBondContact O-N 2.69Å; L102-K105 PolarHBondContact O-N 2.96Å; C103-K105 VanDerWaalsContact C-N 3.3Å; C103-K105 PolarHBondContact O-N 3.22Å
106	N	90.7	Very high	92.4	Very high	39 Å²	39	51.7 Å²	51.7	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-110.1	1.5	-168.9	-54.8	-34.5	0	0	0	113	L102 G143 Q144	L102-N106 PolarHBondContact O-N 3.42Å; N106-G143 PolarHBondContact ND2-O 3.36Å; N106-Q144 PolarHBondContact ND2-OE1 3.03Å; N106-Q144 PolarHBondContact OD1-OE1 3.11Å
107	G	90.6	Very high	91.7	Very high	31 Å²	31	59.8 Å²	59.8	32%	0.32	30%	0.299	S	S	.	.			trans	77.6	177.2	-167.8	0	0	0	0	0	112.6	C103 K109	C103-G107 CarbonylContact O-C 3.5Å; C103-G107 VanDerWaalsContact O-C 3.27Å; C103-G107 WeakPolarHBondContact O-CA 3.42Å; C103-G107 PolarHBondContact O-N 2.68Å; G107-K109 PolarHBondContact O-N 3.22Å; G107-K109 VanDerWaalsContact O-N 3.14Å
108	F	94.4	Very high	90.8	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.035	34%	0.337	C	S	.	.	S	Bend	trans	-74.5	106.3	178.9	-174.2	-107.9	0	0	0	110.9	V110 F137 L147 L421 I424 Q425 V428	F108-V110 HydrophobicContact CE1-CG2 4.1Å; F108-V110 HydrophobicContact CZ-CG2 4.26Å; F108-F137 AromaticContact CD1-CD1 3.54Å; F108-F137 HydrophobicContact CD1-CD1 3.54Å; F108-F137 AromaticContact CD1-CE1 3.77Å; F108-F137 HydrophobicContact CD1-CE1 3.77Å; F108-F137 HydrophobicContact CD1-CG 4.21Å; F108-F137 HydrophobicContact CE1-CD1 4.09Å; F108-F137 HydrophobicContact CE1-CE1 4.35Å; F108-F137 HydrophobicContact CE1-CG 4.34Å; F108-L147 HydrophobicContact CE2-CB 4.4Å; F108-L147 HydrophobicContact CZ-CD2 4.03Å; F108-L421 HydrophobicContact CE1-CB 4.32Å; F108-L421 WeakPolarHBondContact CE1-O 3.46Å; F108-I424 HydrophobicContact CE2-CB 4.41Å; F108-I424 HydrophobicContact CE2-CG2 3.7Å; F108-I424 HydrophobicContact CZ-CB 4.02Å; F108-I424 HydrophobicContact CZ-CG2 3.75Å; F108-Q425 HydrophobicContact CB-CB 4.45Å; F108-Q425 HydrophobicContact CB-CG 3.94Å; F108-Q425 HydrophobicContact CD1-CB 3.71Å; F108-Q425 HydrophobicContact CD1-CG 4.04Å; F108-Q425 HydrophobicContact CE1-CB 4.01Å; F108-Q425 HydrophobicContact CG-CB 3.98Å; F108-Q425 HydrophobicContact CG-CG 4.01Å; F108-V428 HydrophobicContact CD2-CB 4.49Å; F108-V428 HydrophobicContact CD2-CG1 4.49Å; F108-V428 HydrophobicContact CD2-CG2 4.34Å; F108-V428 HydrophobicContact CE2-CG2 4.37Å
109	K	96.1	Very high	89.9	Confident	67 Å²	67	64.7 Å²	64.7	29%	0.291	34%	0.344	S	S	.	.			trans	-130.5	142	-178.3	-66.6	-64.2	-178.5	178.7	0	111.5	G107 R136 F137 T139 A145 C146 L147	G107-K109 PolarHBondContact O-N 3.22Å; G107-K109 VanDerWaalsContact O-N 3.14Å; K109-R136 PolarHBondContact NZ-O 3.36Å; K109-F137 CarbonylContact C-O 3.59Å; K109-F137 VanDerWaalsContact CA-O 3.27Å; K109-F137 WeakPolarHBondContact CA-O 3.32Å; K109-F137 WeakPolarHBondContact CD-O 3.4Å; K109-T139 HydrophobicContact CB-CG2 3.93Å; K109-A145 WeakPolarHBondContact O-CA 3.47Å; K109-C146 PolarHBondContact O-N 3.42Å; K109-L147 PolarHBondContact O-N 3.13Å; K109-L147 VanDerWaalsContact O-N 3.17Å
110	V	97.6	Very high	89.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.2	-173.4	-174.2	0	0	0	0	109.7	F108 I132 F137 Y138 T139 L147 V149 L421	F108-V110 HydrophobicContact CE1-CG2 4.1Å; F108-V110 HydrophobicContact CZ-CG2 4.26Å; V110-I132 HydrophobicContact CB-CG2 4.23Å; V110-I132 HydrophobicContact CG1-CG2 3.73Å; V110-F137 HydrophobicContact CB-CB 4.41Å; V110-F137 HydrophobicContact CG2-CB 3.85Å; V110-F137 PolarHBondContact N-O 3.28Å; V110-Y138 WeakPolarHBondContact O-CA 3.47Å; V110-T139 PolarHBondContact O-N 3.38Å; V110-L147 CarbonylContact C-O 3.39Å; V110-L147 WeakPolarHBondContact CA-O 3.28Å; V110-L147 HydrophobicContact CG1-CD2 4.43Å; V110-L147 HydrophobicContact CG2-CB 4.2Å; V110-L147 HydrophobicContact CG2-CD2 4.09Å; V110-V149 HydrophobicContact CG1-CG2 3.71Å; V110-L421 HydrophobicContact CG2-CD1 4.45Å; V110-L421 HydrophobicContact CG2-CD2 4.04Å
111	Y	97.4	Very high	89.2	Confident	33 Å²	33	70.3 Å²	70.3	13%	0.129	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.5	173.3	176.3	-96.1	0	0	0	110.3	Y113 P114 S140 P142 L147 F148 V149 L177	Y111-Y113 HydrophobicContact CE1-CD1 4.31Å; Y111-Y113 HydrophobicContact CE1-CG 4.23Å; Y111-P114 WeakPolarHBondContact OH-CD 3.41Å; Y111-S140 WeakPolarHBondContact CE2-O 3.38Å; Y111-P142 HydrophobicContact CD1-CB 4.42Å; Y111-P142 HydrophobicContact CD2-CB 4.07Å; Y111-P142 HydrophobicContact CE1-CB 4.4Å; Y111-P142 HydrophobicContact CE2-CB 4.09Å; Y111-P142 HydrophobicContact CE2-CG 4.33Å; Y111-P142 HydrophobicContact CG-CB 4.23Å; Y111-L147 PolarHBondContact N-O 2.92Å; Y111-F148 AromaticContact CD1-CD1 3.74Å; Y111-F148 HydrophobicContact CD1-CD1 3.74Å; Y111-F148 HydrophobicContact CD1-CE1 4.12Å; Y111-F148 HydrophobicContact CG-CD1 4.25Å; Y111-F148 HydrophobicContact CG-CE1 4.35Å; Y111-F148 WeakPolarHBondContact O-CA 3.41Å; Y111-V149 PolarHBondContact O-N 3.36Å; Y111-L177 HydrophobicContact CE1-CD1 4.4Å
112	V	96.9	Very high	89.1	Confident	8 Å²	8	67.7 Å²	67.7	5%	0.048	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.7	172.6	-178.4	0	0	0	0	107.7	L129 I132 E133 Y138 V149	V112-L129 HydrophobicContact CG1-CD2 3.89Å; V112-I132 HydrophobicContact CG2-CB 4.16Å; V112-I132 HydrophobicContact CG2-CG2 3.65Å; V112-E133 HydrophobicContact CG2-CG 4.39Å; V112-Y138 HydrophobicContact CG2-CD2 4.48Å; V112-V149 HydrophobicContact CG2-CB 4.42Å
113	Y	94.8	Very high	89.2	Confident	10 Å²	10	71.3 Å²	71.3	4%	0.039	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-59.8	148.1	176.2	-79.2	-94.9	0	0	0	111	Y111 F148 V149 L150 S151 L175 L177 W178 H184	Y111-Y113 HydrophobicContact CE1-CD1 4.31Å; Y111-Y113 HydrophobicContact CE1-CG 4.23Å; Y113-F148 HydrophobicContact CE2-CB 4.15Å; Y113-V149 WeakPolarHBondContact CD2-O 3.22Å; Y113-V149 PolarHBondContact N-O 3.45Å; Y113-L150 HydrophobicContact CD2-CD2 4.29Å; Y113-L150 HydrophobicContact CE2-CD2 4.08Å; Y113-S151 VanDerWaalsContact O-CB 3.26Å; Y113-S151 WeakPolarHBondContact O-CB 3.44Å; Y113-L175 HydrophobicContact CD1-CD1 4.38Å; Y113-L175 HydrophobicContact CD1-CD2 3.98Å; Y113-L175 HydrophobicContact CE1-CB 3.86Å; Y113-L175 HydrophobicContact CE1-CD1 4.22Å; Y113-L175 HydrophobicContact CE1-CD2 4.19Å; Y113-L175 HydrophobicContact CE1-CG 4.32Å; Y113-L175 HydrophobicContact CE2-CD1 4.47Å; Y113-L177 HydrophobicContact CE1-CB 4.17Å; Y113-L177 VanDerWaalsContact OH-C 3.22Å; Y113-L177 VanDerWaalsContact OH-CB 3.28Å; Y113-L177 WeakPolarHBondContact OH-CB 3.48Å; Y113-W178 PolarHBondContact OH-N 2.76Å; Y113-H184 AromaticContact CE2-NE2 3.74Å; Y113-H184 AromaticContact CZ-NE2 3.81Å; Y113-H184 PolarHBondContact OH-NE2 3.23Å
114	P	91.8	Very high	89.2	Confident	87 Å²	87	71.7 Å²	71.7	57%	0.565	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-66.2	145.5	174.5	27.4	-34	0	0	0	110.7	Y111 S151	Y111-P114 WeakPolarHBondContact OH-CD 3.41Å; P114-S151 PolarHBondContact O-OG 2.98Å
115	Q	87.6	Confident	89.4	Confident	107 Å²	107	64.6 Å²	64.6	50%	0.5	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-70.3	132.1	175.9	-170.4	178.5	-1.2	0	0	110.7	E119	Q115-E119 PolarHBondContact NE2-O 3.04Å; Q115-E119 VanDerWaalsContact NE2-O 3.12Å
116	Q	81.6	Confident	89.6	Confident	75 Å²	75	59.4 Å²	59.4	35%	0.35	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-78	142.3	177.3	-62.3	-167.6	-6.6	0	0	111.3	G118 E119	Q116-G118 PolarHBondContact O-N 3.48Å; Q116-E119 HydrophobicContact CB-CG 4.28Å; Q116-E119 PolarHBondContact O-N 2.84Å
117	K	75.9	Confident	89.8	Confident	218 Å²	218	58.5 Å²	58.5	95%	0.948	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	124.5	-179.5	-70.6	-177.2	179.6	178.5	0	110.6
118	G	74	Confident	90.1	Very high	84 Å²	84	57 Å²	57	87%	0.866	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	-4.4	175.1	0	0	0	0	0	115.3	Q116	Q116-G118 PolarHBondContact O-N 3.48Å
119	E	77.1	Confident	90.1	Very high	34 Å²	34	57.1 Å²	57.1	16%	0.159	29%	0.292	C	S	.	.			trans	-89.4	125.2	177.2	-62.6	-163.2	138.1	0	0	112.2	Q115 Q116 L152 K171	Q115-E119 PolarHBondContact NE2-O 3.04Å; Q115-E119 VanDerWaalsContact NE2-O 3.12Å; Q116-E119 HydrophobicContact CB-CG 4.28Å; Q116-E119 PolarHBondContact O-N 2.84Å; E119-L152 WeakPolarHBondContact OE2-CD2 3.49Å; E119-K171 WeakPolarHBondContact OE1-CD 3.47Å; E119-K171 VanDerWaalsContact OE1-CE 3.3Å; E119-K171 WeakPolarHBondContact OE1-CE 3.29Å; E119-K171 IonicContact OE1-NZ 2.72Å; E119-K171 PolarHBondContact OE1-NZ 3.43Å
120	K	82.7	Confident	90	Very high	196 Å²	196	55.9 Å²	55.9	85%	0.852	29%	0.292	S	S	*	.			trans	-89	128	173.8	-64.7	-175.1	-179.2	-178.6	0	109.3
121	I	89.6	Confident	89.9	Confident	35 Å²	35	56.4 Å²	56.4	18%	0.179	30%	0.295	C	S	.	.			trans	-109.4	149	175	54.7	-175.5	0	0	0	109.7	Y125 Q126 D153	I121-Y125 HydrophobicContact CG2-CD1 4.46Å; I121-Q126 HydrophobicContact CD1-CB 4.25Å; I121-D153 HydrophobicContact CG2-CB 4.26Å
122	S	91.4	Very high	89.8	Confident	7 Å²	7	54.8 Å²	54.8	5%	0.049	29%	0.289	C	S	.	.			trans	-67.2	151.3	175.2	67.9	0	0	0	0	111	S124 Y125 Q126 D153	S122-S124 PolarHBondContact O-N 3.45Å; S122-Y125 PolarHBondContact O-N 3Å; S122-Y125 VanDerWaalsContact O-N 3.11Å; S122-Y125 WeakPolarHBondContact OG-CB 3.18Å; S122-Y125 PolarHBondContact OG-N 3.2Å; S122-Q126 PolarHBondContact O-N 3.12Å; S122-D153 WeakPolarHBondContact CB-OD2 3.49Å; S122-D153 PolarHBondContact N-OD2 3.25Å; S122-D153 PolarHBondContact OG-OD2 3.39Å
123	E	91.3	Very high	89.7	Confident	136 Å²	136	58.5 Å²	58.5	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-57.2	-39.5	174.8	-175.4	178.4	-176	0	0	111.7	Y125 Q126 N127	E123-Y125 VanDerWaalsContact C-N 3.35Å; E123-Y125 PolarHBondContact O-N 3.22Å; E123-Q126 PolarHBondContact O-N 2.5Å; E123-N127 WeakPolarHBondContact O-CB 3.33Å; E123-N127 PolarHBondContact O-N 3.43Å; E123-N127 PolarHBondContact O-ND2 3.3Å
124	S	92.4	Very high	89.5	Confident	9 Å²	9	60.8 Å²	60.8	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-40.6	176	-57.1	0	0	0	0	112.3	S122 N127 I128	S122-S124 PolarHBondContact O-N 3.45Å; S124-N127 PolarHBondContact O-N 2.95Å; S124-I128 WeakPolarHBondContact O-CG1 3.26Å; S124-I128 PolarHBondContact O-N 3.07Å
125	Y	94.3	Very high	89.5	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-72.3	-41.2	177.1	-162.7	-116.9	0	0	0	112	I121 S122 E123 N127 I128 L129 L150 L152 D153 L155 F187	I121-Y125 HydrophobicContact CG2-CD1 4.46Å; S122-Y125 PolarHBondContact O-N 3Å; S122-Y125 VanDerWaalsContact O-N 3.11Å; S122-Y125 WeakPolarHBondContact OG-CB 3.18Å; S122-Y125 PolarHBondContact OG-N 3.2Å; E123-Y125 VanDerWaalsContact C-N 3.35Å; E123-Y125 PolarHBondContact O-N 3.22Å; Y125-N127 PolarHBondContact O-N 2.74Å; Y125-I128 HydrophobicContact CD2-CD1 4.36Å; Y125-I128 WeakPolarHBondContact O-CB 3.45Å; Y125-I128 PolarHBondContact O-N 2.79Å; Y125-L129 HydrophobicContact CD1-CD1 3.93Å; Y125-L129 HydrophobicContact CD1-CG 4.13Å; Y125-L129 HydrophobicContact CE1-CD1 3.77Å; Y125-L129 HydrophobicContact CE1-CD2 4Å; Y125-L129 HydrophobicContact CE1-CG 3.98Å; Y125-L129 WeakPolarHBondContact O-CG 3.12Å; Y125-L129 PolarHBondContact O-N 3.3Å; Y125-L150 PolarHBondContact OH-O 2.88Å; Y125-L152 VanDerWaalsContact CE1-O 3.24Å; Y125-L152 WeakPolarHBondContact CE1-O 3.44Å; Y125-L152 VanDerWaalsContact CZ-O 3.24Å; Y125-L152 PolarHBondContact OH-O 3.23Å; Y125-L152 VanDerWaalsContact OH-O 3.14Å; Y125-D153 WeakPolarHBondContact CB-OD2 3.46Å; Y125-D153 HydrophobicContact CD1-CB 4.01Å; Y125-D153 HydrophobicContact CG-CB 4.26Å; Y125-L155 HydrophobicContact CD2-CD1 3.87Å; Y125-L155 HydrophobicContact CD2-CD2 3.79Å; Y125-L155 HydrophobicContact CD2-CG 3.49Å; Y125-L155 VanDerWaalsContact CD2-CG 3.49Å; Y125-L155 HydrophobicContact CE2-CD2 4.26Å; Y125-L155 HydrophobicContact CE2-CG 4.3Å; Y125-L155 HydrophobicContact CG-CD1 4.29Å; Y125-L155 HydrophobicContact CG-CG 4.19Å; Y125-F187 HydrophobicContact CE2-CB 4.41Å
126	Q	93.9	Very high	89.7	Confident	64 Å²	64	56.2 Å²	56.2	30%	0.299	30%	0.302	S	S	.	.	H	α-helix	trans	-55.9	-41.2	172.6	-178.6	64.5	60.5	0	0	111.5	I121 S122 E123 I128 L129 S130	I121-Q126 HydrophobicContact CD1-CB 4.25Å; S122-Q126 PolarHBondContact O-N 3.12Å; E123-Q126 PolarHBondContact O-N 2.5Å; Q126-I128 VanDerWaalsContact C-N 3.32Å; Q126-I128 PolarHBondContact O-N 3.41Å; Q126-L129 PolarHBondContact O-N 3.39Å; Q126-S130 PolarHBondContact NE2-OG 3.39Å; Q126-S130 WeakPolarHBondContact O-CB 3.4Å; Q126-S130 PolarHBondContact O-N 3.01Å; Q126-S130 PolarHBondContact O-OG 3.12Å
127	N	94.4	Very high	90.2	Very high	19 Å²	19	52.8 Å²	52.8	10%	0.102	29%	0.286	C	S	.	.	H	α-helix	trans	-62.4	-37.8	176.5	-75.2	-23.7	0	0	0	112.5	E123 S124 Y125 T131 R237 V413	E123-N127 WeakPolarHBondContact O-CB 3.33Å; E123-N127 PolarHBondContact O-N 3.43Å; E123-N127 PolarHBondContact O-ND2 3.3Å; S124-N127 PolarHBondContact O-N 2.95Å; Y125-N127 PolarHBondContact O-N 2.74Å; N127-T131 WeakPolarHBondContact O-CB 3.48Å; N127-T131 PolarHBondContact O-N 3.02Å; N127-T131 VanDerWaalsContact O-N 3.1Å; N127-T131 PolarHBondContact O-OG1 2.9Å; N127-R237 HydrophobicContact CB-CG 4.02Å; N127-R237 VanDerWaalsContact OD1-CD 3.24Å; N127-R237 WeakPolarHBondContact OD1-CD 3.26Å; N127-V413 HydrophobicContact CB-CG1 4.34Å
128	I	96.3	Very high	91.2	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65	-51.8	173.7	-66.4	168.7	0	0	0	110.2	S124 Y125 Q126 S130 T131 I132 L155 F187 F231 V413 V417	S124-I128 WeakPolarHBondContact O-CG1 3.26Å; S124-I128 PolarHBondContact O-N 3.07Å; Y125-I128 HydrophobicContact CD2-CD1 4.36Å; Y125-I128 WeakPolarHBondContact O-CB 3.45Å; Y125-I128 PolarHBondContact O-N 2.79Å; Q126-I128 VanDerWaalsContact C-N 3.32Å; Q126-I128 PolarHBondContact O-N 3.41Å; I128-S130 PolarHBondContact O-N 2.95Å; I128-T131 WeakPolarHBondContact O-CB 3.39Å; I128-T131 PolarHBondContact O-N 2.97Å; I128-T131 VanDerWaalsContact O-N 3.16Å; I128-I132 HydrophobicContact CG2-CD1 4.01Å; I128-I132 WeakPolarHBondContact O-CG1 3.5Å; I128-I132 PolarHBondContact O-N 2.78Å; I128-L155 HydrophobicContact CD1-CD1 4Å; I128-L155 HydrophobicContact CD1-CD2 3.69Å; I128-L155 HydrophobicContact CD1-CG 4.43Å; I128-F187 HydrophobicContact CD1-CB 4.27Å; I128-F187 HydrophobicContact CD1-CD1 4.34Å; I128-F187 HydrophobicContact CD1-CG 4.3Å; I128-F187 HydrophobicContact CG2-CD1 4.36Å; I128-F187 HydrophobicContact CG2-CD2 3.91Å; I128-F187 HydrophobicContact CG2-CE1 4.33Å; I128-F187 HydrophobicContact CG2-CE2 3.88Å; I128-F187 HydrophobicContact CG2-CG 4.16Å; I128-F187 HydrophobicContact CG2-CZ 4.09Å; I128-F231 HydrophobicContact CD1-CZ 4.21Å; I128-V413 HydrophobicContact CG1-CG1 3.82Å; I128-V417 HydrophobicContact CB-CG2 4.21Å; I128-V417 HydrophobicContact CG1-CG2 3.94Å; I128-V417 HydrophobicContact CG2-CG2 3.87Å
129	L	95.7	Very high	92.2	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-47.8	-178.3	-62.5	-174.2	0	0	0	111.7	V112 Y125 Q126 T131 I132 E133 V149	V112-L129 HydrophobicContact CG1-CD2 3.89Å; Y125-L129 HydrophobicContact CD1-CD1 3.93Å; Y125-L129 HydrophobicContact CD1-CG 4.13Å; Y125-L129 HydrophobicContact CE1-CD1 3.77Å; Y125-L129 HydrophobicContact CE1-CD2 4Å; Y125-L129 HydrophobicContact CE1-CG 3.98Å; Y125-L129 WeakPolarHBondContact O-CG 3.12Å; Y125-L129 PolarHBondContact O-N 3.3Å; Q126-L129 PolarHBondContact O-N 3.39Å; L129-T131 VanDerWaalsContact C-N 3.26Å; L129-T131 PolarHBondContact O-N 2.86Å; L129-I132 WeakPolarHBondContact O-CB 3.17Å; L129-I132 PolarHBondContact O-N 3.17Å; L129-E133 WeakPolarHBondContact O-CG 3.34Å; L129-E133 PolarHBondContact O-N 2.82Å; L129-V149 HydrophobicContact CD2-CG1 4.04Å
130	S	93.9	Very high	93	Very high	41 Å²	41	46.1 Å²	46.1	29%	0.287	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-29	178.1	-65.9	0	0	0	0	113.2	Q126 I128 G134	Q126-S130 PolarHBondContact NE2-OG 3.39Å; Q126-S130 WeakPolarHBondContact O-CB 3.4Å; Q126-S130 PolarHBondContact O-N 3.01Å; Q126-S130 PolarHBondContact O-OG 3.12Å; I128-S130 PolarHBondContact O-N 2.95Å; S130-G134 PolarHBondContact O-N 3.46Å
131	T	95.1	Very high	93.6	Very high	11 Å²	11	40.3 Å²	40.3	7%	0.067	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-46.5	171.1	-61.9	0	0	0	0	110.6	N127 I128 L129 G134 S135 E414 V417 L418	N127-T131 WeakPolarHBondContact O-CB 3.48Å; N127-T131 PolarHBondContact O-N 3.02Å; N127-T131 VanDerWaalsContact O-N 3.1Å; N127-T131 PolarHBondContact O-OG1 2.9Å; I128-T131 WeakPolarHBondContact O-CB 3.39Å; I128-T131 PolarHBondContact O-N 2.97Å; I128-T131 VanDerWaalsContact O-N 3.16Å; L129-T131 VanDerWaalsContact C-N 3.26Å; L129-T131 PolarHBondContact O-N 2.86Å; T131-G134 PolarHBondContact O-N 3.16Å; T131-S135 WeakPolarHBondContact O-CB 3.3Å; T131-S135 PolarHBondContact O-N 3.18Å; T131-S135 VanDerWaalsContact O-N 3.13Å; T131-E414 HydrophobicContact CG2-CB 4.07Å; T131-E414 HydrophobicContact CG2-CG 4Å; T131-V417 HydrophobicContact CG2-CB 3.94Å; T131-V417 HydrophobicContact CG2-CG1 3.87Å; T131-L418 HydrophobicContact CG2-CG 4.34Å
132	I	96.3	Very high	93.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-50	179.9	-62.5	167	0	0	0	109.2	V110 V112 I128 L129 G134 S135 Y138 V149 F187 V417 L421	V110-I132 HydrophobicContact CB-CG2 4.23Å; V110-I132 HydrophobicContact CG1-CG2 3.73Å; V112-I132 HydrophobicContact CG2-CB 4.16Å; V112-I132 HydrophobicContact CG2-CG2 3.65Å; I128-I132 HydrophobicContact CG2-CD1 4.01Å; I128-I132 WeakPolarHBondContact O-CG1 3.5Å; I128-I132 PolarHBondContact O-N 2.78Å; L129-I132 WeakPolarHBondContact O-CB 3.17Å; L129-I132 PolarHBondContact O-N 3.17Å; I132-G134 VanDerWaalsContact C-N 3.28Å; I132-G134 PolarHBondContact O-N 3.14Å; I132-S135 VanDerWaalsContact O-CB 3.29Å; I132-S135 WeakPolarHBondContact O-CB 3.45Å; I132-S135 PolarHBondContact O-N 3.35Å; I132-S135 PolarHBondContact O-OG 3.07Å; I132-Y138 WeakPolarHBondContact O-CB 3.5Å; I132-V149 HydrophobicContact CD1-CB 4.42Å; I132-V149 HydrophobicContact CD1-CG1 3.95Å; I132-V149 HydrophobicContact CD1-CG2 4.14Å; I132-F187 HydrophobicContact CD1-CE2 4.05Å; I132-F187 HydrophobicContact CD1-CZ 4.46Å; I132-V417 HydrophobicContact CD1-CG1 4.3Å; I132-V417 HydrophobicContact CG1-CG1 3.62Å; I132-L421 HydrophobicContact CG1-CD1 4.37Å
133	E	93.9	Very high	94	Very high	85 Å²	85	42.5 Å²	42.5	40%	0.397	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-35.8	178.4	-69.2	172.1	160.4	0	0	113.3	V112 L129 S135 Y138	V112-E133 HydrophobicContact CG2-CG 4.39Å; L129-E133 WeakPolarHBondContact O-CG 3.34Å; L129-E133 PolarHBondContact O-N 2.82Å; E133-S135 VanDerWaalsContact C-N 3.32Å; E133-Y138 HydrophobicContact CB-CD2 4.44Å; E133-Y138 HydrophobicContact CG-CD2 4.2Å; E133-Y138 HydrophobicContact CG-CE2 3.99Å; E133-Y138 WeakPolarHBondContact O-CD1 3.38Å
134	G	90.4	Very high	94.1	Very high	59 Å²	59	39.8 Å²	39.8	61%	0.608	23%	0.234	S	C	*	.	H	α-helix	trans	-79.8	-9	176.3	0	0	0	0	0	114.8	S130 T131 I132	S130-G134 PolarHBondContact O-N 3.46Å; T131-G134 PolarHBondContact O-N 3.16Å; I132-G134 VanDerWaalsContact C-N 3.28Å; I132-G134 PolarHBondContact O-N 3.14Å
135	S	92.6	Very high	94.3	Very high	20 Å²	20	39.4 Å²	39.4	14%	0.14	23%	0.231	C	C	.	.	S	Bend	trans	-83.7	164	-175.1	79.8	0	0	0	0	113.3	T131 I132 E133 F137 Y138	T131-S135 WeakPolarHBondContact O-CB 3.3Å; T131-S135 PolarHBondContact O-N 3.18Å; T131-S135 VanDerWaalsContact O-N 3.13Å; I132-S135 VanDerWaalsContact O-CB 3.29Å; I132-S135 WeakPolarHBondContact O-CB 3.45Å; I132-S135 PolarHBondContact O-N 3.35Å; I132-S135 PolarHBondContact O-OG 3.07Å; E133-S135 VanDerWaalsContact C-N 3.32Å; S135-F137 PolarHBondContact O-N 3.25Å; S135-F137 VanDerWaalsContact O-N 3.15Å; S135-F137 PolarHBondContact OG-N 2.9Å; S135-Y138 PolarHBondContact O-N 3.41Å
136	R	90.3	Very high	94.3	Very high	77 Å²	77	39.4 Å²	39.4	29%	0.291	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.5	173.5	68	-175.2	-176.1	126.3	2.7	114.4	K109 E422	K109-R136 PolarHBondContact NZ-O 3.36Å; R136-E422 IonicContact CZ-OE1 3.25Å; R136-E422 IonicContact NE-OE1 2.66Å; R136-E422 PolarHBondContact NE-OE1 3.33Å; R136-E422 VanDerWaalsContact NH2-CD 3.27Å; R136-E422 IonicContact NH2-OE1 2.98Å; R136-E422 PolarHBondContact NH2-OE1 2.96Å; R136-E422 IonicContact NH2-OE2 2.96Å; R136-E422 PolarHBondContact NH2-OE2 3.06Å; R136-E422 VanDerWaalsContact NH2-OE2 3.08Å
137	F	93.6	Very high	94.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-21.3	-176.5	-55.7	-61.8	0	0	0	112.7	F108 K109 V110 S135 L418 L421 E422	F108-F137 AromaticContact CD1-CD1 3.54Å; F108-F137 HydrophobicContact CD1-CD1 3.54Å; F108-F137 AromaticContact CD1-CE1 3.77Å; F108-F137 HydrophobicContact CD1-CE1 3.77Å; F108-F137 HydrophobicContact CD1-CG 4.21Å; F108-F137 HydrophobicContact CE1-CD1 4.09Å; F108-F137 HydrophobicContact CE1-CE1 4.35Å; F108-F137 HydrophobicContact CE1-CG 4.34Å; K109-F137 CarbonylContact C-O 3.59Å; K109-F137 VanDerWaalsContact CA-O 3.27Å; K109-F137 WeakPolarHBondContact CA-O 3.32Å; K109-F137 WeakPolarHBondContact CD-O 3.4Å; V110-F137 HydrophobicContact CB-CB 4.41Å; V110-F137 HydrophobicContact CG2-CB 3.85Å; V110-F137 PolarHBondContact N-O 3.28Å; S135-F137 PolarHBondContact O-N 3.25Å; S135-F137 VanDerWaalsContact O-N 3.15Å; S135-F137 PolarHBondContact OG-N 2.9Å; F137-L418 HydrophobicContact CE2-CD2 4.49Å; F137-L421 HydrophobicContact CB-CD1 4.44Å; F137-L421 HydrophobicContact CD2-CB 4.02Å; F137-L421 HydrophobicContact CD2-CD1 3.74Å; F137-L421 HydrophobicContact CE2-CB 4Å; F137-L421 HydrophobicContact CE2-CD1 4.46Å; F137-L421 HydrophobicContact CG-CD1 4.43Å; F137-E422 HydrophobicContact CE2-CG 4.39Å; F137-E422 HydrophobicContact CZ-CG 4.24Å; F137-E422 VanDerWaalsContact CZ-OE1 3.29Å; F137-E422 WeakPolarHBondContact CZ-OE1 3.48Å
138	Y	95.6	Very high	94.7	Very high	83 Å²	83	36.3 Å²	36.3	33%	0.325	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-64.1	143	-175.4	176.2	-111.9	0	0	0	113.2	V110 V112 I132 E133 S135	V110-Y138 WeakPolarHBondContact O-CA 3.47Å; V112-Y138 HydrophobicContact CG2-CD2 4.48Å; I132-Y138 WeakPolarHBondContact O-CB 3.5Å; E133-Y138 HydrophobicContact CB-CD2 4.44Å; E133-Y138 HydrophobicContact CG-CD2 4.2Å; E133-Y138 HydrophobicContact CG-CE2 3.99Å; E133-Y138 WeakPolarHBondContact O-CD1 3.38Å; S135-Y138 PolarHBondContact O-N 3.41Å
139	T	95.4	Very high	94.7	Very high	22 Å²	22	36.3 Å²	36.3	14%	0.135	22%	0.216	C	C	.	.			trans	-140.5	141.1	165.5	179.3	0	0	0	0	109.8	K109 V110 D141 Q144 A145	K109-T139 HydrophobicContact CB-CG2 3.93Å; V110-T139 PolarHBondContact O-N 3.38Å; T139-D141 VanDerWaalsContact C-N 3.33Å; T139-D141 WeakPolarHBondContact CG2-O 3.24Å; T139-D141 PolarHBondContact OG1-N 3.04Å; T139-D141 PolarHBondContact OG1-O 2.89Å; T139-Q144 HydrophobicContact CG2-CB 4.32Å; T139-A145 HydrophobicContact CG2-CB 3.64Å
140	S	94.7	Very high	94.7	Very high	90 Å²	90	35.9 Å²	35.9	63%	0.629	21%	0.213	S	C	*	.	S	Bend	trans	-81.6	-15.5	171.9	57.1	0	0	0	0	112.9	Y111	Y111-S140 WeakPolarHBondContact CE2-O 3.38Å
141	D	95.3	Very high	94.6	Very high	75 Å²	75	34 Å²	34	40%	0.401	20%	0.2	S	C	.	.			trans	-94.2	114.2	178.8	-178.3	2.7	0	0	0	110.4	T139 G143 Q144 A145	T139-D141 VanDerWaalsContact C-N 3.33Å; T139-D141 WeakPolarHBondContact CG2-O 3.24Å; T139-D141 PolarHBondContact OG1-N 3.04Å; T139-D141 PolarHBondContact OG1-O 2.89Å; D141-G143 PolarHBondContact O-N 3.45Å; D141-G143 PolarHBondContact OD1-N 3.08Å; D141-Q144 HydrophobicContact CB-CB 4.39Å; D141-Q144 HydrophobicContact CB-CG 4.03Å; D141-Q144 PolarHBondContact O-N 3.42Å; D141-Q144 WeakPolarHBondContact OD2-CG 3.44Å; D141-A145 PolarHBondContact O-N 3.36Å
142	P	94.5	Very high	94.4	Very high	45 Å²	45	33.5 Å²	33.5	29%	0.292	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.7	177.8	27.3	-34.7	0	0	0	113.2	Y111 Q144 A145 F148 L177	Y111-P142 HydrophobicContact CD1-CB 4.42Å; Y111-P142 HydrophobicContact CD2-CB 4.07Å; Y111-P142 HydrophobicContact CE1-CB 4.4Å; Y111-P142 HydrophobicContact CE2-CB 4.09Å; Y111-P142 HydrophobicContact CE2-CG 4.33Å; Y111-P142 HydrophobicContact CG-CB 4.23Å; P142-Q144 PolarHBondContact O-N 3.28Å; P142-A145 PolarHBondContact O-N 2.92Å; P142-F148 HydrophobicContact CB-CE1 4.17Å; P142-L177 HydrophobicContact CB-CD1 3.69Å; P142-L177 HydrophobicContact CG-CD1 4.44Å
143	G	94.1	Very high	94.3	Very high	42 Å²	42	33.7 Å²	33.7	43%	0.433	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.3	176.7	0	0	0	0	0	113.9	N106 D141	N106-G143 PolarHBondContact ND2-O 3.36Å; D141-G143 PolarHBondContact O-N 3.45Å; D141-G143 PolarHBondContact OD1-N 3.08Å
144	Q	94.7	Very high	94.2	Very high	80 Å²	80	29.7 Å²	29.7	37%	0.374	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-22.8	175.5	-62.6	-62.9	-37.6	0	0	112.5	N106 T139 D141 P142	N106-Q144 PolarHBondContact ND2-OE1 3.03Å; N106-Q144 PolarHBondContact OD1-OE1 3.11Å; T139-Q144 HydrophobicContact CG2-CB 4.32Å; D141-Q144 HydrophobicContact CB-CB 4.39Å; D141-Q144 HydrophobicContact CB-CG 4.03Å; D141-Q144 PolarHBondContact O-N 3.42Å; D141-Q144 WeakPolarHBondContact OD2-CG 3.44Å; P142-Q144 PolarHBondContact O-N 3.28Å
145	A	96.1	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.			trans	-79.6	145.5	-176.9	0	0	0	0	0	112.2	L102 K109 T139 D141 P142 F148	L102-A145 WeakPolarHBondContact CD1-O 3.3Å; K109-A145 WeakPolarHBondContact O-CA 3.47Å; T139-A145 HydrophobicContact CG2-CB 3.64Å; D141-A145 PolarHBondContact O-N 3.36Å; P142-A145 PolarHBondContact O-N 2.92Å; A145-F148 HydrophobicContact CB-CE1 4.31Å; A145-F148 HydrophobicContact CB-CZ 4.28Å
146	C	94.8	Very high	94.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-119.4	-5	172.7	72.7	0	0	0	0	113.1	L102 C103 K109 N183	L102-C146 HydrophobicContact CB-CB 3.73Å; C103-C146 WeakPolarHBondContact CA-SG 3.35Å; C103-C146 HydrophobicContact CB-CB 3.78Å; C103-C146 WeakPolarHBondContact CB-SG 3.35Å; C103-C146 VanDerWaalsContact N-CB 3.34Å; C103-C146 WeakPolarHBondContact SG-CB 3.33Å; C103-C146 CovalentContact SG-SG 2.02Å; C103-C146 PolarHBondContact SG-SG 2.75Å; K109-C146 PolarHBondContact O-N 3.42Å; C146-N183 WeakPolarHBondContact O-CB 3.29Å; C146-N183 PolarHBondContact O-ND2 3.15Å
147	L	97.3	Very high	94.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137	169.2	-171.5	75.5	0	0	0	109.7	F98 F108 K109 V110 Y111 N183 L185 L421 I424	F98-L147 HydrophobicContact CE2-CD1 3.92Å; F108-L147 HydrophobicContact CE2-CB 4.4Å; F108-L147 HydrophobicContact CZ-CD2 4.03Å; K109-L147 PolarHBondContact O-N 3.13Å; K109-L147 VanDerWaalsContact O-N 3.17Å; V110-L147 CarbonylContact C-O 3.39Å; V110-L147 WeakPolarHBondContact CA-O 3.28Å; V110-L147 HydrophobicContact CG1-CD2 4.43Å; V110-L147 HydrophobicContact CG2-CB 4.2Å; V110-L147 HydrophobicContact CG2-CD2 4.09Å; Y111-L147 PolarHBondContact N-O 2.92Å; L147-N183 WeakPolarHBondContact CA-O 3.08Å; L147-N183 WeakPolarHBondContact CD1-O 3.41Å; L147-L185 HydrophobicContact CD1-CB 4.15Å; L147-L185 HydrophobicContact CD2-CB 4.19Å; L147-L185 HydrophobicContact CD2-CD2 4.13Å; L147-L185 HydrophobicContact CG-CB 4.29Å; L147-L421 HydrophobicContact CD2-CD2 3.95Å; L147-I424 HydrophobicContact CD2-CD1 4.19Å
148	F	97.5	Very high	93.9	Very high	18 Å²	18	24.8 Å²	24.8	8%	0.079	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.4	-176.3	-62.4	-91.8	0	0	0	110.8	Y111 Y113 P142 A145 L177 N183 H184 L185	Y111-F148 AromaticContact CD1-CD1 3.74Å; Y111-F148 HydrophobicContact CD1-CD1 3.74Å; Y111-F148 HydrophobicContact CD1-CE1 4.12Å; Y111-F148 HydrophobicContact CG-CD1 4.25Å; Y111-F148 HydrophobicContact CG-CE1 4.35Å; Y111-F148 WeakPolarHBondContact O-CA 3.41Å; Y113-F148 HydrophobicContact CE2-CB 4.15Å; P142-F148 HydrophobicContact CB-CE1 4.17Å; A145-F148 HydrophobicContact CB-CE1 4.31Å; A145-F148 HydrophobicContact CB-CZ 4.28Å; F148-L177 HydrophobicContact CD1-CD1 4.28Å; F148-L177 HydrophobicContact CE1-CD1 3.9Å; F148-N183 HydrophobicContact CD2-CB 4.18Å; F148-N183 PolarHBondContact N-O 2.91Å; F148-H184 CarbonylContact O-C 3.58Å; F148-H184 VanDerWaalsContact O-CA 3.3Å; F148-H184 WeakPolarHBondContact O-CA 3.4Å; F148-L185 PolarHBondContact O-N 2.89Å
149	V	97.4	Very high	93.5	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.6	-179.2	-177.7	0	0	0	0	109.7	V110 Y111 V112 Y113 L129 I132 L185 F187	V110-V149 HydrophobicContact CG1-CG2 3.71Å; Y111-V149 PolarHBondContact O-N 3.36Å; V112-V149 HydrophobicContact CG2-CB 4.42Å; Y113-V149 WeakPolarHBondContact CD2-O 3.22Å; Y113-V149 PolarHBondContact N-O 3.45Å; L129-V149 HydrophobicContact CD2-CG1 4.04Å; I132-V149 HydrophobicContact CD1-CB 4.42Å; I132-V149 HydrophobicContact CD1-CG1 3.95Å; I132-V149 HydrophobicContact CD1-CG2 4.14Å; V149-L185 HydrophobicContact CG2-CB 4.35Å; V149-F187 HydrophobicContact CG1-CD2 4.43Å; V149-F187 HydrophobicContact CG1-CE2 4.26Å
150	L	94.8	Very high	92.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.			trans	-65	143.5	-176.7	-54.9	178.6	0	0	0	111.7	Y113 Y125 L152 T154 V172 L175 W178 I186	Y113-L150 HydrophobicContact CD2-CD2 4.29Å; Y113-L150 HydrophobicContact CE2-CD2 4.08Å; Y125-L150 PolarHBondContact OH-O 2.88Å; L150-L152 VanDerWaalsContact C-N 3.27Å; L150-T154 HydrophobicContact CD1-CG2 4.39Å; L150-V172 HydrophobicContact CD1-CG2 4.21Å; L150-L175 HydrophobicContact CD2-CD1 3.57Å; L150-W178 HydrophobicContact CD1-CZ3 4.32Å; L150-W178 HydrophobicContact CD2-CE3 4.02Å; L150-W178 HydrophobicContact CD2-CZ3 3.99Å; L150-I186 HydrophobicContact CD1-CD1 4.47Å; L150-I186 HydrophobicContact CD1-CG1 4.15Å
151	S	92.6	Very high	92.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	16%	0.159	C	C	.	.	S	Bend	trans	-81.4	-8.4	166.9	46.5	0	0	0	0	113.6	Y113 P114	Y113-S151 VanDerWaalsContact O-CB 3.26Å; Y113-S151 WeakPolarHBondContact O-CB 3.44Å; P114-S151 PolarHBondContact O-OG 2.98Å
152	L	91.8	Very high	91.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-81.3	130.7	179.9	-57.7	173.6	0	0	0	110.3	E119 Y125 L150 T154 L168 K171 V172 L175	E119-L152 WeakPolarHBondContact OE2-CD2 3.49Å; Y125-L152 VanDerWaalsContact CE1-O 3.24Å; Y125-L152 WeakPolarHBondContact CE1-O 3.44Å; Y125-L152 VanDerWaalsContact CZ-O 3.24Å; Y125-L152 PolarHBondContact OH-O 3.23Å; Y125-L152 VanDerWaalsContact OH-O 3.14Å; L150-L152 VanDerWaalsContact C-N 3.27Å; L152-T154 PolarHBondContact O-N 3.1Å; L152-L168 HydrophobicContact CB-CD1 3.88Å; L152-L168 HydrophobicContact CD1-CD1 3.93Å; L152-L168 HydrophobicContact CG-CD1 4.46Å; L152-K171 HydrophobicContact CD1-CB 3.79Å; L152-K171 HydrophobicContact CD2-CB 4.5Å; L152-K171 HydrophobicContact CD2-CD 4.43Å; L152-V172 HydrophobicContact CD1-CG2 3.71Å; L152-L175 HydrophobicContact CD1-CD1 4.32Å
153	D	92.2	Very high	91.4	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.027	18%	0.178	C	C	.	.			trans	-68.4	117.1	179.2	-163.9	-25	0	0	0	111.2	I121 S122 Y125 L155 V165	I121-D153 HydrophobicContact CG2-CB 4.26Å; S122-D153 WeakPolarHBondContact CB-OD2 3.49Å; S122-D153 PolarHBondContact N-OD2 3.25Å; S122-D153 PolarHBondContact OG-OD2 3.39Å; Y125-D153 WeakPolarHBondContact CB-OD2 3.46Å; Y125-D153 HydrophobicContact CD1-CB 4.01Å; Y125-D153 HydrophobicContact CG-CB 4.26Å; D153-L155 WeakPolarHBondContact OD1-CB 3.31Å; D153-L155 PolarHBondContact OD1-N 3.35Å; D153-V165 HydrophobicContact CB-CG2 4.06Å; D153-V165 WeakPolarHBondContact O-CG2 3.31Å
154	T	92.8	Very high	91.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.165	C	C	.	.			trans	-118.7	4.4	-178.7	50.7	0	0	0	0	112.8	L150 L152 L168 I186 F187 N188 F203	L150-T154 HydrophobicContact CD1-CG2 4.39Å; L152-T154 PolarHBondContact O-N 3.1Å; T154-L168 HydrophobicContact CG2-CD1 4.42Å; T154-L168 HydrophobicContact CG2-CD2 3.84Å; T154-I186 HydrophobicContact CG2-CG2 4.24Å; T154-F187 CarbonylContact C-O 3.6Å; T154-F187 PolarHBondContact OG1-O 3.03Å; T154-N188 PolarHBondContact O-ND2 2.87Å; T154-F203 HydrophobicContact CG2-CE1 4.49Å; T154-F203 HydrophobicContact CG2-CZ 4.31Å
155	L	93.1	Very high	90.6	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.021	15%	0.153	C	C	.	.	S	Bend	trans	-67.2	-41.5	-175.6	-63.1	-173.8	0	0	0	112.6	Y125 I128 D153 F187 N188 L189 Y190	Y125-L155 HydrophobicContact CD2-CD1 3.87Å; Y125-L155 HydrophobicContact CD2-CD2 3.79Å; Y125-L155 HydrophobicContact CD2-CG 3.49Å; Y125-L155 VanDerWaalsContact CD2-CG 3.49Å; Y125-L155 HydrophobicContact CE2-CD2 4.26Å; Y125-L155 HydrophobicContact CE2-CG 4.3Å; Y125-L155 HydrophobicContact CG-CD1 4.29Å; Y125-L155 HydrophobicContact CG-CG 4.19Å; I128-L155 HydrophobicContact CD1-CD1 4Å; I128-L155 HydrophobicContact CD1-CD2 3.69Å; I128-L155 HydrophobicContact CD1-CG 4.43Å; D153-L155 WeakPolarHBondContact OD1-CB 3.31Å; D153-L155 PolarHBondContact OD1-N 3.35Å; L155-F187 HydrophobicContact CD2-CB 3.69Å; L155-N188 PolarHBondContact O-ND2 2.73Å; L155-L189 HydrophobicContact CD1-CD1 4.28Å; L155-L189 HydrophobicContact CD2-CD1 4.46Å; L155-L189 HydrophobicContact CD2-CG 4.18Å; L155-L189 PolarHBondContact O-N 2.9Å; L155-Y190 PolarHBondContact O-N 2.83Å
156	D	91.4	Very high	90.1	Very high	15 Å²	15	35 Å²	35	8%	0.08	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-115.2	107.9	-175.5	-162.4	-12.2	0	0	0	111.3	D158 S161 Q163 Y190	D156-D158 WeakPolarHBondContact OD1-CB 3.38Å; D156-D158 PolarHBondContact OD1-N 2.89Å; D156-S161 WeakPolarHBondContact OD2-CB 3.4Å; D156-S161 PolarHBondContact OD2-OG 3.49Å; D156-Q163 HydrophobicContact CB-CB 4.29Å; D156-Y190 HydrophobicContact CB-CD2 4.18Å
157	R	89.5	Confident	89.6	Confident	10 Å²	10	41 Å²	41	4%	0.038	21%	0.213	C	C	.	.			trans	-108	18.6	177.3	-55.3	-55.2	-59.2	155.1	5.7	112	Y164 V165 Y190 L201	R157-Y164 PolarHBondContact NH2-OH 2.8Å; R157-Y164 VanDerWaalsContact NH2-OH 3.13Å; R157-V165 PolarHBondContact NH1-O 3.24Å; R157-Y190 PolarHBondContact N-O 3.1Å; R157-L201 HydrophobicContact CG-CB 4.29Å; R157-L201 HydrophobicContact CG-CD2 4.05Å; R157-L201 PolarHBondContact NE-O 3.38Å; R157-L201 PolarHBondContact NH2-O 3.2Å
158	D	87.3	Confident	89.1	Confident	28 Å²	28	41.1 Å²	41.1	15%	0.15	21%	0.214	C	C	.	.			trans	-78.4	116.4	168.1	-168.4	-33.3	0	0	0	109.5	D156 L160 S161 Y164 T193 R335	D156-D158 WeakPolarHBondContact OD1-CB 3.38Å; D156-D158 PolarHBondContact OD1-N 2.89Å; D158-L160 PolarHBondContact O-N 3.49Å; D158-L160 VanDerWaalsContact O-N 3.16Å; D158-L160 WeakPolarHBondContact OD1-CB 3.43Å; D158-L160 PolarHBondContact OD1-N 3.38Å; D158-S161 WeakPolarHBondContact O-CB 3.35Å; D158-S161 PolarHBondContact O-N 2.91Å; D158-Y164 WeakPolarHBondContact O-CB 3.44Å; D158-Y164 WeakPolarHBondContact O-CD2 3.49Å; D158-T193 WeakPolarHBondContact CA-OG1 3.39Å; D158-T193 WeakPolarHBondContact OD1-CG2 3.4Å; D158-R335 IonicContact OD2-NH2 3.47Å
159	Q	85.6	Confident	88.6	Confident	131 Å²	131	43.7 Å²	43.7	61%	0.612	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.4	-176.8	-62.3	178.5	3.6	0	0	113	S161 Y164 T193	Q159-S161 VanDerWaalsContact C-N 3.29Å; Q159-Y164 HydrophobicContact CG-CD2 4.46Å; Q159-Y164 HydrophobicContact CG-CE1 4.43Å; Q159-Y164 HydrophobicContact CG-CE2 3.94Å; Q159-T193 HydrophobicContact CB-CG2 4.24Å; Q159-T193 PolarHBondContact N-OG1 3Å
160	L	84.8	Confident	88.2	Confident	130 Å²	130	48.1 Å²	48.1	68%	0.681	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.6	176.1	-58	175.1	0	0	0	112.1	D158 T193 W194	D158-L160 PolarHBondContact O-N 3.49Å; D158-L160 VanDerWaalsContact O-N 3.16Å; D158-L160 WeakPolarHBondContact OD1-CB 3.43Å; D158-L160 PolarHBondContact OD1-N 3.38Å; L160-T193 HydrophobicContact CD1-CG2 4.03Å; L160-T193 HydrophobicContact CG-CG2 3.82Å; L160-W194 HydrophobicContact CD1-CB 4.48Å
161	S	84.8	Confident	87.9	Confident	20 Å²	20	51 Å²	51	14%	0.14	27%	0.265	C	S	.	.	S	Bend	trans	-76.5	137.5	-180	-176.4	0	0	0	0	111.3	D156 D158 Q159 Q163 Y164	D156-S161 WeakPolarHBondContact OD2-CB 3.4Å; D156-S161 PolarHBondContact OD2-OG 3.49Å; D158-S161 WeakPolarHBondContact O-CB 3.35Å; D158-S161 PolarHBondContact O-N 2.91Å; Q159-S161 VanDerWaalsContact C-N 3.29Å; S161-Q163 PolarHBondContact O-N 3.19Å; S161-Q163 VanDerWaalsContact O-N 3.11Å; S161-Q163 PolarHBondContact OG-N 3.45Å; S161-Y164 VanDerWaalsContact O-CB 3.31Å; S161-Y164 WeakPolarHBondContact O-CB 3.48Å; S161-Y164 PolarHBondContact O-N 3.02Å; S161-Y164 VanDerWaalsContact O-N 3.13Å
162	P	83.6	Confident	87.8	Confident	129 Å²	129	50.9 Å²	50.9	84%	0.838	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.1	170.7	29.3	-35.9	0	0	0	113
163	Q	84.1	Confident	87.7	Confident	52 Å²	52	56.3 Å²	56.3	24%	0.243	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	2.1	179	-61.6	-177.2	-23	0	0	112.5	D156 S161 V165 K233	D156-Q163 HydrophobicContact CB-CB 4.29Å; S161-Q163 PolarHBondContact O-N 3.19Å; S161-Q163 VanDerWaalsContact O-N 3.11Å; S161-Q163 PolarHBondContact OG-N 3.45Å; Q163-V165 PolarHBondContact O-N 3.11Å; Q163-K233 VanDerWaalsContact CD-NZ 3.29Å
164	Y	86.2	Confident	87.5	Confident	41 Å²	41	59.7 Å²	59.7	16%	0.161	31%	0.313	C	S	.	.			trans	-67.8	119.7	-179.9	-174.3	-98.9	0	0	0	112	R157 D158 Q159 S161 H166	R157-Y164 PolarHBondContact NH2-OH 2.8Å; R157-Y164 VanDerWaalsContact NH2-OH 3.13Å; D158-Y164 WeakPolarHBondContact O-CB 3.44Å; D158-Y164 WeakPolarHBondContact O-CD2 3.49Å; Q159-Y164 HydrophobicContact CG-CD2 4.46Å; Q159-Y164 HydrophobicContact CG-CE1 4.43Å; Q159-Y164 HydrophobicContact CG-CE2 3.94Å; S161-Y164 VanDerWaalsContact O-CB 3.31Å; S161-Y164 WeakPolarHBondContact O-CB 3.48Å; S161-Y164 PolarHBondContact O-N 3.02Å; S161-Y164 VanDerWaalsContact O-N 3.13Å; Y164-H166 AromaticContact CD1-CE1 3.69Å; Y164-H166 AromaticContact CD1-ND1 3.75Å; Y164-H166 AromaticContact CE1-ND1 3.69Å; Y164-H166 PolarHBondContact O-N 3.13Å
165	V	85.3	Confident	87.5	Confident	21 Å²	21	60.3 Å²	60.3	13%	0.127	32%	0.317	C	S	.	.			trans	-83.9	112.7	174.8	-176.6	0	0	0	0	110.4	D153 R157 Q163 L168 K171	D153-V165 HydrophobicContact CB-CG2 4.06Å; D153-V165 WeakPolarHBondContact O-CG2 3.31Å; R157-V165 PolarHBondContact NH1-O 3.24Å; Q163-V165 PolarHBondContact O-N 3.11Å; V165-L168 HydrophobicContact CG1-CD1 4.13Å; V165-K171 HydrophobicContact CG1-CD 4.32Å
166	H	85.4	Confident	87.4	Confident	127 Å²	127	65.9 Å²	65.9	59%	0.588	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	153.2	173.5	-62.9	-82	0	0	0	112.4	Y164 L168	Y164-H166 AromaticContact CD1-CE1 3.69Å; Y164-H166 AromaticContact CD1-ND1 3.75Å; Y164-H166 AromaticContact CE1-ND1 3.69Å; Y164-H166 PolarHBondContact O-N 3.13Å; H166-L168 PolarHBondContact O-N 2.85Å; H166-L168 VanDerWaalsContact O-N 3.15Å
167	N	85.3	Confident	87.5	Confident	127 Å²	127	68.4 Å²	68.4	68%	0.679	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	29.2	178.8	-59.7	-28.9	0	0	0	114.2	K169 T170 K171	N167-K169 VanDerWaalsContact C-N 3.27Å; N167-K169 PolarHBondContact O-N 3.21Å; N167-T170 PolarHBondContact O-N 3.15Å; N167-K171 WeakPolarHBondContact O-CG 3.4Å; N167-K171 PolarHBondContact O-N 3.24Å
168	L	86.8	Confident	87.6	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	37%	0.371	C	S	.	.	H	α-helix	trans	-56.8	-39.6	-176.8	-175.4	65.5	0	0	0	112.3	L152 T154 V165 H166 T170 K171 V172 F203	L152-L168 HydrophobicContact CB-CD1 3.88Å; L152-L168 HydrophobicContact CD1-CD1 3.93Å; L152-L168 HydrophobicContact CG-CD1 4.46Å; T154-L168 HydrophobicContact CG2-CD1 4.42Å; T154-L168 HydrophobicContact CG2-CD2 3.84Å; V165-L168 HydrophobicContact CG1-CD1 4.13Å; H166-L168 PolarHBondContact O-N 2.85Å; H166-L168 VanDerWaalsContact O-N 3.15Å; L168-T170 PolarHBondContact O-N 3.09Å; L168-K171 PolarHBondContact O-N 3.49Å; L168-V172 HydrophobicContact CD1-CG2 3.92Å; L168-V172 HydrophobicContact CG-CG2 3.99Å; L168-V172 WeakPolarHBondContact O-CB 3.28Å; L168-V172 VanDerWaalsContact O-CG2 3.27Å; L168-V172 WeakPolarHBondContact O-CG2 3.42Å; L168-V172 PolarHBondContact O-N 3.39Å; L168-F203 HydrophobicContact CD2-CD1 3.48Å; L168-F203 VanDerWaalsContact CD2-CD1 3.48Å; L168-F203 HydrophobicContact CD2-CE1 3.39Å; L168-F203 HydrophobicContact CD2-CG 4.12Å; L168-F203 HydrophobicContact CD2-CZ 3.97Å; L168-F203 HydrophobicContact CG-CD1 4.28Å; L168-F203 HydrophobicContact CG-CE1 4.42Å; L168-F203 HydrophobicContact CG-CG 4.46Å
169	K	86.8	Confident	87.8	Confident	71 Å²	71	71.8 Å²	71.8	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-53.1	-51.6	176.7	-176.7	177.7	178.6	177.5	0	112	N167 K171 V172 Q173 F203	N167-K169 VanDerWaalsContact C-N 3.27Å; N167-K169 PolarHBondContact O-N 3.21Å; K169-K171 VanDerWaalsContact C-N 3.35Å; K169-K171 PolarHBondContact O-N 3.18Å; K169-V172 PolarHBondContact O-N 3.27Å; K169-Q173 WeakPolarHBondContact O-CB 3.33Å; K169-Q173 VanDerWaalsContact O-CG 3.27Å; K169-Q173 WeakPolarHBondContact O-CG 3.39Å; K169-Q173 PolarHBondContact O-N 3.2Å; K169-F203 HydrophobicContact CB-CB 4.07Å
170	T	87.7	Confident	88	Confident	94 Å²	94	68.9 Å²	68.9	58%	0.577	37%	0.372	S	S	*	.	H	α-helix	trans	-65.4	-39.8	-179.4	-48.2	0	0	0	0	111.4	N167 L168 Q173 S174	N167-T170 PolarHBondContact O-N 3.15Å; L168-T170 PolarHBondContact O-N 3.09Å; T170-Q173 PolarHBondContact O-N 3.02Å; T170-S174 WeakPolarHBondContact O-CB 3.46Å; T170-S174 PolarHBondContact O-N 3.48Å
171	K	89.3	Confident	88.3	Confident	59 Å²	59	62.7 Å²	62.7	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-46.4	178.3	-66.8	179.2	177.3	-165.6	0	112	E119 L152 V165 N167 L168 K169 S174	E119-K171 WeakPolarHBondContact OE1-CD 3.47Å; E119-K171 VanDerWaalsContact OE1-CE 3.3Å; E119-K171 WeakPolarHBondContact OE1-CE 3.29Å; E119-K171 IonicContact OE1-NZ 2.72Å; E119-K171 PolarHBondContact OE1-NZ 3.43Å; L152-K171 HydrophobicContact CD1-CB 3.79Å; L152-K171 HydrophobicContact CD2-CB 4.5Å; L152-K171 HydrophobicContact CD2-CD 4.43Å; V165-K171 HydrophobicContact CG1-CD 4.32Å; N167-K171 WeakPolarHBondContact O-CG 3.4Å; N167-K171 PolarHBondContact O-N 3.24Å; L168-K171 PolarHBondContact O-N 3.49Å; K169-K171 VanDerWaalsContact C-N 3.35Å; K169-K171 PolarHBondContact O-N 3.18Å; K171-S174 PolarHBondContact O-N 3.49Å; K171-S174 PolarHBondContact O-OG 2.87Å
172	V	90.4	Very high	88.8	Confident	1 Å²	1	65 Å²	65	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-62.4	-45.8	177.7	170.8	0	0	0	0	110.5	L150 L152 L168 K169 S174 L175 W178 F203	L150-V172 HydrophobicContact CD1-CG2 4.21Å; L152-V172 HydrophobicContact CD1-CG2 3.71Å; L168-V172 HydrophobicContact CD1-CG2 3.92Å; L168-V172 HydrophobicContact CG-CG2 3.99Å; L168-V172 WeakPolarHBondContact O-CB 3.28Å; L168-V172 VanDerWaalsContact O-CG2 3.27Å; L168-V172 WeakPolarHBondContact O-CG2 3.42Å; L168-V172 PolarHBondContact O-N 3.39Å; K169-V172 PolarHBondContact O-N 3.27Å; V172-S174 PolarHBondContact O-N 2.55Å; V172-L175 WeakPolarHBondContact O-CB 3.29Å; V172-L175 WeakPolarHBondContact O-CG 3.45Å; V172-L175 PolarHBondContact O-N 3.12Å; V172-L175 VanDerWaalsContact O-N 3.09Å; V172-W178 HydrophobicContact CG1-CD2 3.3Å; V172-W178 HydrophobicContact CG1-CE3 3.58Å; V172-W178 HydrophobicContact CG1-CG 3.94Å; V172-W178 HydrophobicContact CG1-CH2 3.63Å; V172-W178 HydrophobicContact CG1-CZ2 3.36Å; V172-W178 HydrophobicContact CG1-CZ3 3.74Å; V172-W178 WeakPolarHBondContact O-CB 3.23Å; V172-F203 HydrophobicContact CG2-CE2 4.4Å
173	Q	88.7	Confident	89.3	Confident	114 Å²	114	59.4 Å²	59.4	53%	0.533	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-22.3	177.2	-71.7	177.7	-21.2	0	0	113.9	K169 T170 L175	K169-Q173 WeakPolarHBondContact O-CB 3.33Å; K169-Q173 VanDerWaalsContact O-CG 3.27Å; K169-Q173 WeakPolarHBondContact O-CG 3.39Å; K169-Q173 PolarHBondContact O-N 3.2Å; T170-Q173 PolarHBondContact O-N 3.02Å; Q173-L175 VanDerWaalsContact C-N 3.28Å
174	S	89.7	Confident	89.9	Confident	75 Å²	75	57 Å²	57	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.6	175.1	76.6	0	0	0	0	113.9	T170 K171 V172	T170-S174 WeakPolarHBondContact O-CB 3.46Å; T170-S174 PolarHBondContact O-N 3.48Å; K171-S174 PolarHBondContact O-N 3.49Å; K171-S174 PolarHBondContact O-OG 2.87Å; V172-S174 PolarHBondContact O-N 2.55Å
175	L	91.6	Very high	90.5	Very high	13 Å²	13	55 Å²	55	7%	0.068	29%	0.289	C	S	.	.	S	Bend	trans	-72.9	130.6	-179.4	-64.4	173.9	0	0	0	110.4	Y113 L150 L152 V172 Q173 L177 W178	Y113-L175 HydrophobicContact CD1-CD1 4.38Å; Y113-L175 HydrophobicContact CD1-CD2 3.98Å; Y113-L175 HydrophobicContact CE1-CB 3.86Å; Y113-L175 HydrophobicContact CE1-CD1 4.22Å; Y113-L175 HydrophobicContact CE1-CD2 4.19Å; Y113-L175 HydrophobicContact CE1-CG 4.32Å; Y113-L175 HydrophobicContact CE2-CD1 4.47Å; L150-L175 HydrophobicContact CD2-CD1 3.57Å; L152-L175 HydrophobicContact CD1-CD1 4.32Å; V172-L175 WeakPolarHBondContact O-CB 3.29Å; V172-L175 WeakPolarHBondContact O-CG 3.45Å; V172-L175 PolarHBondContact O-N 3.12Å; V172-L175 VanDerWaalsContact O-N 3.09Å; Q173-L175 VanDerWaalsContact C-N 3.28Å; L175-L177 VanDerWaalsContact C-N 3.27Å; L175-L177 PolarHBondContact O-N 3.36Å; L175-W178 HydrophobicContact CB-CB 3.95Å; L175-W178 WeakPolarHBondContact O-CB 3.46Å; L175-W178 PolarHBondContact O-N 3.3Å; L175-W178 VanDerWaalsContact O-N 3.13Å
176	P	90.8	Very high	91	Very high	122 Å²	122	54 Å²	54	79%	0.792	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-28.3	-170	24.6	-34.7	0	0	0	113.9
177	L	93.4	Very high	91.5	Very high	68 Å²	68	48.1 Å²	48.1	36%	0.356	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	4.2	-178.9	-54.1	171.2	0	0	0	112.8	Y111 Y113 P142 F148 L175 N179 H184	Y111-L177 HydrophobicContact CE1-CD1 4.4Å; Y113-L177 HydrophobicContact CE1-CB 4.17Å; Y113-L177 VanDerWaalsContact OH-C 3.22Å; Y113-L177 VanDerWaalsContact OH-CB 3.28Å; Y113-L177 WeakPolarHBondContact OH-CB 3.48Å; P142-L177 HydrophobicContact CB-CD1 3.69Å; P142-L177 HydrophobicContact CG-CD1 4.44Å; F148-L177 HydrophobicContact CD1-CD1 4.28Å; F148-L177 HydrophobicContact CE1-CD1 3.9Å; L175-L177 VanDerWaalsContact C-N 3.27Å; L175-L177 PolarHBondContact O-N 3.36Å; L177-N179 VanDerWaalsContact C-N 3.3Å; L177-N179 PolarHBondContact O-N 3.31Å; L177-H184 PolarHBondContact O-CE1 2.75Å; L177-H184 VanDerWaalsContact O-CE1 3.23Å
178	W	91.9	Very high	92	Very high	34 Å²	34	42 Å²	42	13%	0.129	22%	0.223	C	C	.	.			trans	-73.6	83.9	179.5	-178.8	-99.7	0	0	0	110.7	Y113 L150 V172 L175 D180 H184 I186 A208	Y113-W178 PolarHBondContact OH-N 2.76Å; L150-W178 HydrophobicContact CD1-CZ3 4.32Å; L150-W178 HydrophobicContact CD2-CE3 4.02Å; L150-W178 HydrophobicContact CD2-CZ3 3.99Å; V172-W178 HydrophobicContact CG1-CD2 3.3Å; V172-W178 HydrophobicContact CG1-CE3 3.58Å; V172-W178 HydrophobicContact CG1-CG 3.94Å; V172-W178 HydrophobicContact CG1-CH2 3.63Å; V172-W178 HydrophobicContact CG1-CZ2 3.36Å; V172-W178 HydrophobicContact CG1-CZ3 3.74Å; V172-W178 WeakPolarHBondContact O-CB 3.23Å; L175-W178 HydrophobicContact CB-CB 3.95Å; L175-W178 WeakPolarHBondContact O-CB 3.46Å; L175-W178 PolarHBondContact O-N 3.3Å; L175-W178 VanDerWaalsContact O-N 3.13Å; W178-D180 VanDerWaalsContact C-N 3.27Å; W178-D180 PolarHBondContact O-N 2.97Å; W178-D180 VanDerWaalsContact O-N 3.13Å; W178-H184 AromaticContact CE3-CD2 3.55Å; W178-H184 AromaticContact CE3-CG 3.94Å; W178-H184 AromaticContact CE3-NE2 3.81Å; W178-H184 HydrophobicContact CZ3-CB 3.99Å; W178-H184 AromaticContact CZ3-CD2 3.74Å; W178-H184 AromaticContact CZ3-CG 3.83Å; W178-I186 HydrophobicContact CH2-CD1 4.21Å; W178-A208 HydrophobicContact CH2-CB 4.32Å
179	N	91.4	Very high	92.3	Very high	74 Å²	74	41.9 Å²	41.9	40%	0.396	22%	0.222	S	C	.	.	S	Bend	trans	-83.6	53	-178.5	60.7	-5.6	0	0	0	112.5	L177 G181 R182 H184	L177-N179 VanDerWaalsContact C-N 3.3Å; L177-N179 PolarHBondContact O-N 3.31Å; N179-G181 PolarHBondContact O-N 3.45Å; N179-R182 VanDerWaalsContact CG-O 3.28Å; N179-R182 PolarHBondContact ND2-O 2.94Å; N179-R182 PolarHBondContact O-N 3.31Å; N179-R182 PolarHBondContact OD1-N 3.4Å; N179-R182 PolarHBondContact OD1-O 3.03Å; N179-H184 PolarHBondContact OD1-CE1 3.2Å; N179-H184 PolarHBondContact OD1-ND1 2.91Å; N179-H184 VanDerWaalsContact OD1-ND1 3.15Å
180	D	90.6	Very high	92.5	Very high	71 Å²	71	40.4 Å²	40.4	38%	0.38	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	32.6	-172.7	-162.1	38.7	0	0	0	112.4	W178 R182 G206 Q207	W178-D180 VanDerWaalsContact C-N 3.27Å; W178-D180 PolarHBondContact O-N 2.97Å; W178-D180 VanDerWaalsContact O-N 3.13Å; D180-R182 VanDerWaalsContact C-N 3.33Å; D180-R182 PolarHBondContact O-N 2.92Å; D180-G206 CarbonylContact O-C 3.4Å; D180-G206 WeakPolarHBondContact O-CA 3.28Å; D180-Q207 PolarHBondContact O-N 3.2Å
181	G	91.6	Very high	92.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-0.3	177.1	0	0	0	0	0	115.8	N179 N183 H184 Q207 A208	N179-G181 PolarHBondContact O-N 3.45Å; G181-N183 PolarHBondContact O-N 3.11Å; G181-H184 WeakPolarHBondContact O-CB 3.46Å; G181-H184 PolarHBondContact O-N 2.93Å; G181-Q207 CarbonylContact O-C 3.58Å; G181-A208 WeakPolarHBondContact O-CA 3.44Å; G181-A208 PolarHBondContact O-N 3.14Å; G181-A208 VanDerWaalsContact O-N 3.15Å
182	R	93.7	Very high	91.9	Very high	69 Å²	69	33.5 Å²	33.5	26%	0.26	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	132.6	177.8	172.5	170.8	-66.2	-105.5	-4.4	111.3	S96 N179 D180 H184 Q207	S96-R182 PolarHBondContact O-NH2 2.91Å; N179-R182 VanDerWaalsContact CG-O 3.28Å; N179-R182 PolarHBondContact ND2-O 2.94Å; N179-R182 PolarHBondContact O-N 3.31Å; N179-R182 PolarHBondContact OD1-N 3.4Å; N179-R182 PolarHBondContact OD1-O 3.03Å; D180-R182 VanDerWaalsContact C-N 3.33Å; D180-R182 PolarHBondContact O-N 2.92Å; R182-H184 PolarHBondContact O-N 3.47Å; R182-H184 PolarHBondContact O-ND1 2.78Å; R182-Q207 HydrophobicContact CB-CB 4.38Å; R182-Q207 VanDerWaalsContact CZ-OE1 3.25Å
183	N	95.4	Very high	91.5	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.053	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	17.4	-174.8	-63.5	41.4	0	0	0	114.8	F98 D99 C146 L147 F148 G181	F98-N183 HydrophobicContact CE2-CB 4.27Å; D99-N183 PolarHBondContact N-OD1 2.98Å; D99-N183 PolarHBondContact O-ND2 2.82Å; C146-N183 WeakPolarHBondContact O-CB 3.29Å; C146-N183 PolarHBondContact O-ND2 3.15Å; L147-N183 WeakPolarHBondContact CA-O 3.08Å; L147-N183 WeakPolarHBondContact CD1-O 3.41Å; F148-N183 HydrophobicContact CD2-CB 4.18Å; F148-N183 PolarHBondContact N-O 2.91Å; G181-N183 PolarHBondContact O-N 3.11Å
184	H	96.6	Very high	90.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	142.4	174.7	-68.3	67.4	0	0	0	111.4	Y113 F148 L177 W178 N179 G181 R182 A208 M209	Y113-H184 AromaticContact CE2-NE2 3.74Å; Y113-H184 AromaticContact CZ-NE2 3.81Å; Y113-H184 PolarHBondContact OH-NE2 3.23Å; F148-H184 CarbonylContact O-C 3.58Å; F148-H184 VanDerWaalsContact O-CA 3.3Å; F148-H184 WeakPolarHBondContact O-CA 3.4Å; L177-H184 PolarHBondContact O-CE1 2.75Å; L177-H184 VanDerWaalsContact O-CE1 3.23Å; W178-H184 AromaticContact CE3-CD2 3.55Å; W178-H184 AromaticContact CE3-CG 3.94Å; W178-H184 AromaticContact CE3-NE2 3.81Å; W178-H184 HydrophobicContact CZ3-CB 3.99Å; W178-H184 AromaticContact CZ3-CD2 3.74Å; W178-H184 AromaticContact CZ3-CG 3.83Å; N179-H184 PolarHBondContact OD1-CE1 3.2Å; N179-H184 PolarHBondContact OD1-ND1 2.91Å; N179-H184 VanDerWaalsContact OD1-ND1 3.15Å; G181-H184 WeakPolarHBondContact O-CB 3.46Å; G181-H184 PolarHBondContact O-N 2.93Å; R182-H184 PolarHBondContact O-N 3.47Å; R182-H184 PolarHBondContact O-ND1 2.78Å; H184-A208 HydrophobicContact CB-CB 4Å; H184-A208 WeakPolarHBondContact O-CA 3.4Å; H184-M209 PolarHBondContact O-N 3.24Å
185	L	97.4	Very high	89.7	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.4	172.1	180	66.6	0	0	0	110.1	L147 F148 V149 F187 M209 A211 T420 L421 I424	L147-L185 HydrophobicContact CD1-CB 4.15Å; L147-L185 HydrophobicContact CD2-CB 4.19Å; L147-L185 HydrophobicContact CD2-CD2 4.13Å; L147-L185 HydrophobicContact CG-CB 4.29Å; F148-L185 PolarHBondContact O-N 2.89Å; V149-L185 HydrophobicContact CG2-CB 4.35Å; L185-F187 HydrophobicContact CD2-CE2 3.69Å; L185-F187 HydrophobicContact CD2-CZ 3.66Å; L185-F187 HydrophobicContact CG-CE2 4.08Å; L185-F187 HydrophobicContact CG-CZ 4.38Å; L185-M209 HydrophobicContact CD1-CB 4Å; L185-M209 HydrophobicContact CD1-CG 3.73Å; L185-M209 HydrophobicContact CD1-SD 3.96Å; L185-A211 HydrophobicContact CD1-CB 3.95Å; L185-T420 HydrophobicContact CD2-CG2 4.22Å; L185-L421 HydrophobicContact CD2-CD2 4.33Å; L185-I424 HydrophobicContact CD1-CD1 4.06Å; L185-I424 HydrophobicContact CD2-CD1 3.81Å
186	I	96.3	Very high	88.6	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.5	179.2	-58.3	174	0	0	0	108.9	L150 T154 W178 L201 F203 I205 A208 M209 L210 A211	L150-I186 HydrophobicContact CD1-CD1 4.47Å; L150-I186 HydrophobicContact CD1-CG1 4.15Å; T154-I186 HydrophobicContact CG2-CG2 4.24Å; W178-I186 HydrophobicContact CH2-CD1 4.21Å; I186-L201 HydrophobicContact CG2-CD1 4.42Å; I186-F203 HydrophobicContact CD1-CE2 4.15Å; I186-F203 HydrophobicContact CD1-CZ 4.02Å; I186-F203 HydrophobicContact CG2-CZ 4.5Å; I186-I205 HydrophobicContact CD1-CB 4.18Å; I186-I205 HydrophobicContact CD1-CG2 3.95Å; I186-A208 HydrophobicContact CD1-CB 3.68Å; I186-A208 HydrophobicContact CG1-CB 4.12Å; I186-M209 PolarHBondContact N-O 3.24Å; I186-L210 HydrophobicContact CB-CD2 3.99Å; I186-L210 HydrophobicContact CD1-CD2 4.43Å; I186-L210 HydrophobicContact CG2-CD2 4.39Å; I186-A211 PolarHBondContact O-N 3.22Å
187	F	96.6	Very high	87.9	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.009	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.1	174.2	-70.4	-90.6	0	0	0	110.5	Y125 I128 I132 V149 T154 L155 L185 A211 I228 V417 T420	Y125-F187 HydrophobicContact CE2-CB 4.41Å; I128-F187 HydrophobicContact CD1-CB 4.27Å; I128-F187 HydrophobicContact CD1-CD1 4.34Å; I128-F187 HydrophobicContact CD1-CG 4.3Å; I128-F187 HydrophobicContact CG2-CD1 4.36Å; I128-F187 HydrophobicContact CG2-CD2 3.91Å; I128-F187 HydrophobicContact CG2-CE1 4.33Å; I128-F187 HydrophobicContact CG2-CE2 3.88Å; I128-F187 HydrophobicContact CG2-CG 4.16Å; I128-F187 HydrophobicContact CG2-CZ 4.09Å; I132-F187 HydrophobicContact CD1-CE2 4.05Å; I132-F187 HydrophobicContact CD1-CZ 4.46Å; V149-F187 HydrophobicContact CG1-CD2 4.43Å; V149-F187 HydrophobicContact CG1-CE2 4.26Å; T154-F187 CarbonylContact C-O 3.6Å; T154-F187 PolarHBondContact OG1-O 3.03Å; L155-F187 HydrophobicContact CD2-CB 3.69Å; L185-F187 HydrophobicContact CD2-CE2 3.69Å; L185-F187 HydrophobicContact CD2-CZ 3.66Å; L185-F187 HydrophobicContact CG-CE2 4.08Å; L185-F187 HydrophobicContact CG-CZ 4.38Å; F187-A211 WeakPolarHBondContact CA-O 3.44Å; F187-A211 HydrophobicContact CD1-CB 3.59Å; F187-A211 HydrophobicContact CE1-CB 3.72Å; F187-A211 HydrophobicContact CG-CB 4.22Å; F187-A211 HydrophobicContact CZ-CB 4.44Å; F187-I228 HydrophobicContact CD1-CD1 4.23Å; F187-V417 HydrophobicContact CE1-CG2 4.42Å; F187-V417 HydrophobicContact CZ-CG1 4.49Å; F187-T420 HydrophobicContact CE1-CG2 4.25Å; F187-T420 HydrophobicContact CZ-CG2 4.42Å
188	N	95.1	Very high	87.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133	175.1	-178.7	-101.8	0	0	0	112	T154 L155 Y190 L201 A211 K212 A213	T154-N188 PolarHBondContact O-ND2 2.87Å; L155-N188 PolarHBondContact O-ND2 2.73Å; N188-Y190 PolarHBondContact ND2-O 2.88Å; N188-L201 HydrophobicContact CB-CD2 3.92Å; N188-L201 WeakPolarHBondContact ND2-CD2 3.5Å; N188-A211 PolarHBondContact N-O 2.97Å; N188-K212 HydrophobicContact CB-CG 4.25Å; N188-K212 CarbonylContact O-C 3.56Å; N188-K212 WeakPolarHBondContact O-CA 3.2Å; N188-A213 PolarHBondContact O-N 2.88Å
189	L	93.2	Very high	86.5	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.18	C	C	.	.	S	Bend	trans	-111.2	-38.8	176.7	-65.9	-179.7	0	0	0	112.4	L155 A213 I228 L230 F231	L155-L189 HydrophobicContact CD1-CD1 4.28Å; L155-L189 HydrophobicContact CD2-CD1 4.46Å; L155-L189 HydrophobicContact CD2-CG 4.18Å; L155-L189 PolarHBondContact O-N 2.9Å; L189-A213 HydrophobicContact CD2-CB 3.86Å; L189-I228 HydrophobicContact CD2-CD1 3.91Å; L189-L230 HydrophobicContact CB-CD1 3.97Å; L189-L230 WeakPolarHBondContact O-CD1 3.42Å; L189-F231 HydrophobicContact CD1-CD1 4.42Å; L189-F231 HydrophobicContact CD1-CD2 4.16Å; L189-F231 HydrophobicContact CD1-CE1 4.04Å; L189-F231 HydrophobicContact CD1-CE2 3.75Å; L189-F231 HydrophobicContact CD1-CG 4.49Å; L189-F231 HydrophobicContact CD1-CZ 3.7Å; L189-F231 HydrophobicContact CD2-CD1 4.13Å; L189-F231 HydrophobicContact CD2-CE1 3.78Å; L189-F231 HydrophobicContact CD2-CZ 4.22Å; L189-F231 HydrophobicContact CG-CE1 4.5Å; L189-F231 HydrophobicContact CG-CZ 4.47Å
190	Y	90	Very high	85.8	Confident	40 Å²	40	35.9 Å²	35.9	16%	0.157	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-123	111.4	-177.2	-47.6	-82.7	0	0	0	108.6	L155 D156 R157 N188 L230 F231 F339	L155-Y190 PolarHBondContact O-N 2.83Å; D156-Y190 HydrophobicContact CB-CD2 4.18Å; R157-Y190 PolarHBondContact N-O 3.1Å; N188-Y190 PolarHBondContact ND2-O 2.88Å; Y190-L230 HydrophobicContact CD1-CD1 4.18Å; Y190-L230 HydrophobicContact CE1-CD1 3.69Å; Y190-F231 PolarHBondContact OH-O 3.25Å; Y190-F339 AromaticContact CE1-CZ 3.99Å; Y190-F339 HydrophobicContact CE1-CZ 3.99Å; Y190-F339 VanDerWaalsContact OH-CZ 3.3Å; Y190-F339 WeakPolarHBondContact OH-CZ 3.43Å
191	S	85.1	Confident	85.4	Confident	4 Å²	4	32.9 Å²	32.9	3%	0.028	16%	0.161	C	C	.	.			trans	-110.8	149.6	173.2	44.2	0	0	0	0	111	T198 K212 R335	S191-T198 CarbonylContact C-O 3.49Å; S191-K212 WeakPolarHBondContact OG-CE 3.29Å; S191-K212 PolarHBondContact OG-NZ 2.8Å; S191-R335 VanDerWaalsContact O-CZ 3.25Å; S191-R335 PolarHBondContact O-NE 3.27Å; S191-R335 PolarHBondContact O-NH2 3.4Å
192	G	81.1	Confident	84.8	Confident	3 Å²	3	34.9 Å²	34.9	3%	0.031	18%	0.181	C	C	.	.			trans	69.7	164.7	-179.5	0	0	0	0	0	114.5	T198 R335	G192-T198 WeakPolarHBondContact CA-O 3.43Å; G192-T198 PolarHBondContact N-O 3.1Å; G192-R335 PolarHBondContact O-NH2 3.45Å
193	T	80.8	Confident	84.3	Confident	26 Å²	26	32 Å²	32	16%	0.16	17%	0.171	C	C	.	.			trans	-126.6	157.4	-179.4	-56.7	0	0	0	0	108.8	D158 Q159 L160 D196 Y197	D158-T193 WeakPolarHBondContact CA-OG1 3.39Å; D158-T193 WeakPolarHBondContact OD1-CG2 3.4Å; Q159-T193 HydrophobicContact CB-CG2 4.24Å; Q159-T193 PolarHBondContact N-OG1 3Å; L160-T193 HydrophobicContact CD1-CG2 4.03Å; L160-T193 HydrophobicContact CG-CG2 3.82Å; T193-D196 PolarHBondContact O-N 2.96Å; T193-Y197 PolarHBondContact O-N 2.85Å
194	W	72.1	Confident	83.8	Confident	145 Å²	145	33.7 Å²	33.7	55%	0.549	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	139.3	168.3	-179.6	96	0	0	0	110.2	L160 Y197	L160-W194 HydrophobicContact CD1-CB 4.48Å; W194-Y197 HydrophobicContact CB-CE2 4.33Å
195	P	69.1	Low	83.3	Confident	58 Å²	58	34.9 Å²	34.9	38%	0.377	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.2	-18.4	5.9	32.3	-31	0	0	0	115.2	Y197	P195-Y197 WeakPolarHBondContact O-CD2 3.48Å
196	D	68.4	Low	82.9	Confident	95 Å²	95	35.3 Å²	35.3	51%	0.508	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-22.6	-162.2	-56.9	-42.4	0	0	0	114.6	T193 T198	T193-D196 PolarHBondContact O-N 2.96Å; D196-T198 HydrophobicContact CB-CG2 3.92Å; D196-T198 PolarHBondContact O-N 3.08Å; D196-T198 VanDerWaalsContact O-N 3.13Å
197	Y	76.1	Confident	82.8	Confident	40 Å²	40	37.6 Å²	37.6	16%	0.157	20%	0.201	C	C	.	.			trans	46	42.7	-178.3	-62.1	-78.8	0	0	0	113.6	T193 W194 P195 R334	T193-Y197 PolarHBondContact O-N 2.85Å; W194-Y197 HydrophobicContact CB-CE2 4.33Å; P195-Y197 WeakPolarHBondContact O-CD2 3.48Å; Y197-R334 HydrophobicContact CD1-CB 4.37Å; Y197-R334 HydrophobicContact CD2-CB 4.17Å; Y197-R334 HydrophobicContact CE1-CB 4.13Å; Y197-R334 HydrophobicContact CE2-CB 3.91Å; Y197-R334 HydrophobicContact CE2-CG 4.04Å; Y197-R334 HydrophobicContact CG-CB 4.38Å
198	T	78.4	Confident	82.6	Confident	76 Å²	76	37.5 Å²	37.5	47%	0.466	20%	0.2	S	C	.	.			trans	-56.7	148.7	180	57	0	0	0	0	111.7	S191 G192 D196 D200	S191-T198 CarbonylContact C-O 3.49Å; G192-T198 WeakPolarHBondContact CA-O 3.43Å; G192-T198 PolarHBondContact N-O 3.1Å; D196-T198 HydrophobicContact CB-CG2 3.92Å; D196-T198 PolarHBondContact O-N 3.08Å; D196-T198 VanDerWaalsContact O-N 3.13Å; T198-D200 PolarHBondContact O-N 3.16Å
199	E	76.8	Confident	82.7	Confident	51 Å²	51	37.7 Å²	37.7	24%	0.238	20%	0.201	C	C	.	.	S	Bend	trans	-75.7	-1.6	179.1	-75.7	-165	-164.9	0	0	114.1	K212 G216 N219	E199-K212 PolarHBondContact O-NZ 2.9Å; E199-K212 IonicContact OE2-NZ 3.82Å; E199-G216 WeakPolarHBondContact OE1-CA 3.39Å; E199-G216 PolarHBondContact OE1-N 3.07Å; E199-N219 VanDerWaalsContact CD-ND2 3.34Å; E199-N219 VanDerWaalsContact OE2-CB 3.32Å; E199-N219 WeakPolarHBondContact OE2-CB 3.12Å; E199-N219 PolarHBondContact OE2-ND2 3.2Å
200	D	77	Confident	82.8	Confident	60 Å²	60	38.4 Å²	38.4	32%	0.321	21%	0.205	S	C	.	.			trans	-70.8	141.1	177.2	-174	11.4	0	0	0	111.3	T198 G202	T198-D200 PolarHBondContact O-N 3.16Å; D200-G202 VanDerWaalsContact C-N 3.33Å; D200-G202 PolarHBondContact OD1-N 3.2Å
201	L	82.4	Confident	83.1	Confident	8 Å²	8	36.5 Å²	36.5	4%	0.042	20%	0.197	C	C	.	.			trans	-86.3	-8.3	175.6	-57.7	-177.5	0	0	0	112.1	R157 I186 N188 F203 I205 L210	R157-L201 HydrophobicContact CG-CB 4.29Å; R157-L201 HydrophobicContact CG-CD2 4.05Å; R157-L201 PolarHBondContact NE-O 3.38Å; R157-L201 PolarHBondContact NH2-O 3.2Å; I186-L201 HydrophobicContact CG2-CD1 4.42Å; N188-L201 HydrophobicContact CB-CD2 3.92Å; N188-L201 WeakPolarHBondContact ND2-CD2 3.5Å; L201-F203 VanDerWaalsContact C-N 3.31Å; L201-F203 HydrophobicContact CB-CD1 3.85Å; L201-F203 HydrophobicContact CB-CE1 3.65Å; L201-F203 HydrophobicContact CD1-CE1 4.13Å; L201-F203 HydrophobicContact CD1-CZ 4.39Å; L201-I205 HydrophobicContact CD1-CG2 3.88Å; L201-L210 HydrophobicContact CD1-CD2 3.98Å
202	G	78.3	Confident	83.6	Confident	42 Å²	42	36.5 Å²	36.5	43%	0.433	20%	0.197	S	C	.	.	S	Bend	trans	76.4	18.6	179.3	0	0	0	0	0	113.4	D200	D200-G202 VanDerWaalsContact C-N 3.33Å; D200-G202 PolarHBondContact OD1-N 3.2Å
203	F	84.5	Confident	84.2	Confident	9 Å²	9	36.3 Å²	36.3	4%	0.039	20%	0.195	C	C	.	.	S	Bend	trans	-152.2	162.7	170	73.1	-80.1	0	0	0	110.9	T154 L168 K169 V172 I186 L201 I205	T154-F203 HydrophobicContact CG2-CE1 4.49Å; T154-F203 HydrophobicContact CG2-CZ 4.31Å; L168-F203 HydrophobicContact CD2-CD1 3.48Å; L168-F203 VanDerWaalsContact CD2-CD1 3.48Å; L168-F203 HydrophobicContact CD2-CE1 3.39Å; L168-F203 HydrophobicContact CD2-CG 4.12Å; L168-F203 HydrophobicContact CD2-CZ 3.97Å; L168-F203 HydrophobicContact CG-CD1 4.28Å; L168-F203 HydrophobicContact CG-CE1 4.42Å; L168-F203 HydrophobicContact CG-CG 4.46Å; K169-F203 HydrophobicContact CB-CB 4.07Å; V172-F203 HydrophobicContact CG2-CE2 4.4Å; I186-F203 HydrophobicContact CD1-CE2 4.15Å; I186-F203 HydrophobicContact CD1-CZ 4.02Å; I186-F203 HydrophobicContact CG2-CZ 4.5Å; L201-F203 VanDerWaalsContact C-N 3.31Å; L201-F203 HydrophobicContact CB-CD1 3.85Å; L201-F203 HydrophobicContact CB-CE1 3.65Å; L201-F203 HydrophobicContact CD1-CE1 4.13Å; L201-F203 HydrophobicContact CD1-CZ 4.39Å; F203-I205 HydrophobicContact CD2-CG2 4.42Å; F203-I205 HydrophobicContact CE2-CG2 3.9Å; F203-I205 HydrophobicContact CZ-CG2 3.99Å; F203-I205 PolarHBondContact O-N 2.86Å
204	D	83.6	Confident	84.7	Confident	46 Å²	46	35.2 Å²	35.2	25%	0.246	19%	0.189	C	C	.	.			trans	-78.3	113.9	179.1	-170.8	-6.7	0	0	0	110.6	S85 G206	S85-D204 WeakPolarHBondContact CB-OD1 3.49Å; S85-D204 VanDerWaalsContact OG-CG 3.32Å; S85-D204 PolarHBondContact OG-OD1 2.88Å; D204-G206 VanDerWaalsContact C-N 3.35Å; D204-G206 PolarHBondContact OD1-N 3.17Å
205	I	88	Confident	85.6	Confident	26 Å²	26	28.5 Å²	28.5	13%	0.133	16%	0.163	C	C	.	.			trans	-83.5	-10.7	177.7	63.4	173	0	0	0	113.2	I186 L201 F203 Q207 A208 L210	I186-I205 HydrophobicContact CD1-CB 4.18Å; I186-I205 HydrophobicContact CD1-CG2 3.95Å; L201-I205 HydrophobicContact CD1-CG2 3.88Å; F203-I205 HydrophobicContact CD2-CG2 4.42Å; F203-I205 HydrophobicContact CE2-CG2 3.9Å; F203-I205 HydrophobicContact CZ-CG2 3.99Å; F203-I205 PolarHBondContact O-N 2.86Å; I205-Q207 PolarHBondContact O-N 3.36Å; I205-A208 HydrophobicContact CB-CB 4.49Å; I205-A208 WeakPolarHBondContact O-CB 3.49Å; I205-A208 PolarHBondContact O-N 3.06Å; I205-L210 HydrophobicContact CD1-CD1 3.84Å; I205-L210 HydrophobicContact CD1-CD2 3.97Å; I205-L210 HydrophobicContact CD1-CG 4.03Å; I205-L210 HydrophobicContact CG2-CD2 4.34Å
206	G	89.1	Confident	86.7	Confident	8 Å²	8	26 Å²	26	8%	0.082	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	-121.6	-174.7	0	0	0	0	0	112.7	D180 D204	D180-G206 CarbonylContact O-C 3.4Å; D180-G206 WeakPolarHBondContact O-CA 3.28Å; D204-G206 VanDerWaalsContact C-N 3.35Å; D204-G206 PolarHBondContact OD1-N 3.17Å
207	Q	92.6	Very high	87.6	Confident	50 Å²	50	24.2 Å²	24.2	23%	0.234	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	8.9	-179.7	-61.2	-177.9	1.1	0	0	113.2	C97 D180 G181 R182 I205 F224	C97-Q207 HydrophobicContact CB-CB 4.04Å; C97-Q207 HydrophobicContact CB-CG 4.45Å; D180-Q207 PolarHBondContact O-N 3.2Å; G181-Q207 CarbonylContact O-C 3.58Å; R182-Q207 HydrophobicContact CB-CB 4.38Å; R182-Q207 VanDerWaalsContact CZ-OE1 3.25Å; I205-Q207 PolarHBondContact O-N 3.36Å; Q207-F224 WeakPolarHBondContact O-CZ 3.33Å
208	A	94.1	Very high	88.1	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.			trans	-66.8	146.5	-177.6	0	0	0	0	0	112.6	W178 G181 H184 I186 I205 R221	W178-A208 HydrophobicContact CH2-CB 4.32Å; G181-A208 WeakPolarHBondContact O-CA 3.44Å; G181-A208 PolarHBondContact O-N 3.14Å; G181-A208 VanDerWaalsContact O-N 3.15Å; H184-A208 HydrophobicContact CB-CB 4Å; H184-A208 WeakPolarHBondContact O-CA 3.4Å; I186-A208 HydrophobicContact CD1-CB 3.68Å; I186-A208 HydrophobicContact CG1-CB 4.12Å; I205-A208 HydrophobicContact CB-CB 4.49Å; I205-A208 WeakPolarHBondContact O-CB 3.49Å; I205-A208 PolarHBondContact O-N 3.06Å; A208-R221 PolarHBondContact O-NH2 3.48Å
209	M	95.6	Very high	88.5	Confident	3 Å²	3	30 Å²	30	2%	0.015	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	141.4	170.3	-177.5	176.4	-57	0	0	110.2	M94 H184 L185 I186 F224 V226 I424	M94-M209 HydrophobicContact SD-CE 3.77Å; H184-M209 PolarHBondContact O-N 3.24Å; L185-M209 HydrophobicContact CD1-CB 4Å; L185-M209 HydrophobicContact CD1-CG 3.73Å; L185-M209 HydrophobicContact CD1-SD 3.96Å; I186-M209 PolarHBondContact N-O 3.24Å; M209-F224 HydrophobicContact CB-CE1 4.3Å; M209-F224 HydrophobicContact CB-CZ 4.41Å; M209-F224 HydrophobicContact CE-CD2 4.41Å; M209-F224 HydrophobicContact CE-CE2 4.42Å; M209-F224 WeakPolarHBondContact CE-O 3.2Å; M209-F224 WeakPolarHBondContact CG-O 3.32Å; M209-V226 HydrophobicContact SD-CG2 4.29Å; M209-I424 HydrophobicContact CE-CG1 4.35Å; M209-I424 HydrophobicContact CE-CG2 4.42Å; M209-I424 HydrophobicContact SD-CD1 3.49Å; M209-I424 WeakPolarHBondContact SD-CD1 3.38Å; M209-I424 HydrophobicContact SD-CG1 3.62Å
210	L	95.4	Very high	89.1	Confident	16 Å²	16	28.5 Å²	28.5	8%	0.084	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.7	176.6	-59.9	-178.4	0	0	0	110.9	I186 L201 I205 K212 D225 V226	I186-L210 HydrophobicContact CB-CD2 3.99Å; I186-L210 HydrophobicContact CD1-CD2 4.43Å; I186-L210 HydrophobicContact CG2-CD2 4.39Å; L201-L210 HydrophobicContact CD1-CD2 3.98Å; I205-L210 HydrophobicContact CD1-CD1 3.84Å; I205-L210 HydrophobicContact CD1-CD2 3.97Å; I205-L210 HydrophobicContact CD1-CG 4.03Å; I205-L210 HydrophobicContact CG2-CD2 4.34Å; L210-K212 HydrophobicContact CB-CB 4.25Å; L210-D225 WeakPolarHBondContact CB-OD1 3.31Å; L210-D225 PolarHBondContact N-OD1 2.94Å; L210-D225 WeakPolarHBondContact O-CB 3.43Å; L210-V226 PolarHBondContact O-N 3.5Å
211	A	97.3	Very high	89.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	90.4	159	0	0	0	0	0	107.9	L185 I186 F187 N188 V226 I228 T420	L185-A211 HydrophobicContact CD1-CB 3.95Å; I186-A211 PolarHBondContact O-N 3.22Å; F187-A211 WeakPolarHBondContact CA-O 3.44Å; F187-A211 HydrophobicContact CD1-CB 3.59Å; F187-A211 HydrophobicContact CE1-CB 3.72Å; F187-A211 HydrophobicContact CG-CB 4.22Å; F187-A211 HydrophobicContact CZ-CB 4.44Å; N188-A211 PolarHBondContact N-O 2.97Å; A211-V226 CarbonylContact C-O 3.2Å; A211-V226 VanDerWaalsContact CA-O 3.29Å; A211-V226 WeakPolarHBondContact CA-O 3.29Å; A211-I228 HydrophobicContact CB-CD1 4.36Å; A211-I228 HydrophobicContact CB-CG2 4.12Å; A211-I228 VanDerWaalsContact O-CD1 3.31Å; A211-I228 WeakPolarHBondContact O-CD1 3.47Å; A211-T420 HydrophobicContact CB-CG2 3.97Å
212	K	94.8	Very high	90.3	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134	-166.3	-176.8	174.4	176	-166.9	0	112.9	N188 S191 E199 L210 I215 V226 I228	N188-K212 HydrophobicContact CB-CG 4.25Å; N188-K212 CarbonylContact O-C 3.56Å; N188-K212 WeakPolarHBondContact O-CA 3.2Å; S191-K212 WeakPolarHBondContact OG-CE 3.29Å; S191-K212 PolarHBondContact OG-NZ 2.8Å; E199-K212 PolarHBondContact O-NZ 2.9Å; E199-K212 IonicContact OE2-NZ 3.82Å; L210-K212 HydrophobicContact CB-CB 4.25Å; K212-I215 HydrophobicContact CB-CB 4.38Å; K212-I215 HydrophobicContact CB-CD1 4.37Å; K212-I215 HydrophobicContact CD-CB 4.18Å; K212-I215 HydrophobicContact CD-CD1 4.08Å; K212-I215 HydrophobicContact CD-CG1 4.23Å; K212-I215 HydrophobicContact CG-CB 4.19Å; K212-V226 PolarHBondContact N-O 3.17Å; K212-I228 VanDerWaalsContact C-CG1 3.49Å; K212-I228 PolarHBondContact O-N 3.49Å; K212-I228 VanDerWaalsContact O-N 3.15Å
213	A	94.5	Very high	90.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	150.8	169.2	0	0	0	0	0	111.8	N188 L189 I215 I228 L230	N188-A213 PolarHBondContact O-N 2.88Å; L189-A213 HydrophobicContact CD2-CB 3.86Å; A213-I215 PolarHBondContact O-N 2.68Å; A213-I228 VanDerWaalsContact CA-O 3.26Å; A213-I228 WeakPolarHBondContact CA-O 3.4Å; A213-I228 HydrophobicContact CB-CG1 4.25Å; A213-I228 WeakPolarHBondContact CB-O 3.36Å; A213-L230 HydrophobicContact CB-CB 4.16Å; A213-L230 HydrophobicContact CB-CD1 4.23Å
214	S	91.6	Very high	91.4	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	28.3	177.9	-48.5	0	0	0	0	114.4	G337	S214-G337 VanDerWaalsContact CB-N 3.33Å; S214-G337 VanDerWaalsContact OG-CA 3.26Å; S214-G337 WeakPolarHBondContact OG-CA 3.33Å; S214-G337 PolarHBondContact OG-N 2.98Å; S214-G337 VanDerWaalsContact OG-N 3.09Å
215	I	91.3	Very high	91.9	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.015	17%	0.17	C	C	.	.			trans	-74	133	178.6	-166.7	163.7	0	0	0	110.7	K212 A213 F220 E359	K212-I215 HydrophobicContact CB-CB 4.38Å; K212-I215 HydrophobicContact CB-CD1 4.37Å; K212-I215 HydrophobicContact CD-CB 4.18Å; K212-I215 HydrophobicContact CD-CD1 4.08Å; K212-I215 HydrophobicContact CD-CG1 4.23Å; K212-I215 HydrophobicContact CG-CB 4.19Å; A213-I215 PolarHBondContact O-N 2.68Å; I215-F220 HydrophobicContact CD1-CB 4.11Å; I215-F220 HydrophobicContact CD1-CD2 4.08Å; I215-F220 HydrophobicContact CG1-CB 4.12Å; I215-F220 HydrophobicContact CG2-CB 4.33Å; I215-F220 HydrophobicContact CG2-CD2 3.82Å; I215-F220 HydrophobicContact CG2-CG 4.42Å; I215-E359 HydrophobicContact CG2-CB 3.95Å; I215-E359 PolarHBondContact O-N 3.2Å; I215-E359 VanDerWaalsContact O-N 3.09Å
216	G	90.4	Very high	92.4	Very high	5 Å²	5	30 Å²	30	5%	0.052	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-78.4	145.2	174.8	0	0	0	0	0	112.1	E199 E218 N219 F220 G357	E199-G216 WeakPolarHBondContact OE1-CA 3.39Å; E199-G216 PolarHBondContact OE1-N 3.07Å; G216-E218 PolarHBondContact O-N 2.72Å; G216-N219 PolarHBondContact O-N 3.38Å; G216-F220 WeakPolarHBondContact O-CB 3.03Å; G216-F220 PolarHBondContact O-N 2.86Å; G216-G357 CarbonylContact C-O 3.59Å; G216-G357 VanDerWaalsContact CA-O 3.27Å; G216-G357 WeakPolarHBondContact CA-O 3.46Å
217	S	88.2	Confident	92.7	Very high	59 Å²	59	29.7 Å²	29.7	41%	0.413	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.6	179.6	-55.9	0	0	0	0	113.4	G357 E359	S217-G357 PolarHBondContact N-O 3.38Å; S217-G357 PolarHBondContact OG-O 2.82Å; S217-E359 PolarHBondContact OG-OE2 3.05Å
218	E	86.3	Confident	93	Very high	176 Å²	176	27.3 Å²	27.3	82%	0.822	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-25.7	175.2	-61.9	-172.4	177.2	0	0	114.3	G216	G216-E218 PolarHBondContact O-N 2.72Å
219	N	86.8	Confident	93.1	Very high	62 Å²	62	27.3 Å²	27.3	33%	0.332	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-17.8	-178.8	-66.2	-37.4	0	0	0	112.7	K90 E199 G216	K90-N219 PolarHBondContact NZ-OD1 3.39Å; E199-N219 VanDerWaalsContact CD-ND2 3.34Å; E199-N219 VanDerWaalsContact OE2-CB 3.32Å; E199-N219 WeakPolarHBondContact OE2-CB 3.12Å; E199-N219 PolarHBondContact OE2-ND2 3.2Å; G216-N219 PolarHBondContact O-N 3.38Å
220	F	90.3	Very high	93	Very high	19 Å²	19	27.9 Å²	27.9	8%	0.083	15%	0.152	C	C	.	.			trans	-62.9	131	173.2	-178.7	-111	0	0	0	110.7	I215 G216 P222 D225 E359	I215-F220 HydrophobicContact CD1-CB 4.11Å; I215-F220 HydrophobicContact CD1-CD2 4.08Å; I215-F220 HydrophobicContact CG1-CB 4.12Å; I215-F220 HydrophobicContact CG2-CB 4.33Å; I215-F220 HydrophobicContact CG2-CD2 3.82Å; I215-F220 HydrophobicContact CG2-CG 4.42Å; G216-F220 WeakPolarHBondContact O-CB 3.03Å; G216-F220 PolarHBondContact O-N 2.86Å; F220-P222 HydrophobicContact CD1-CG 4.29Å; F220-P222 HydrophobicContact CE1-CB 4.35Å; F220-P222 HydrophobicContact CE1-CG 4.5Å; F220-P222 WeakPolarHBondContact O-CD 3.28Å; F220-D225 HydrophobicContact CD2-CB 3.8Å; F220-D225 HydrophobicContact CE2-CB 3.67Å; F220-D225 WeakPolarHBondContact CE2-O 3.37Å; F220-E359 HydrophobicContact CB-CB 4.47Å; F220-E359 HydrophobicContact CD1-CG 3.71Å; F220-E359 HydrophobicContact CD2-CG 4.14Å; F220-E359 HydrophobicContact CE1-CG 3.83Å; F220-E359 HydrophobicContact CE2-CG 4.28Å; F220-E359 HydrophobicContact CG-CB 4.29Å; F220-E359 HydrophobicContact CG-CG 3.87Å; F220-E359 HydrophobicContact CZ-CG 4.13Å
221	R	92.1	Very high	92.9	Very high	16 Å²	16	27.3 Å²	27.3	6%	0.06	15%	0.149	C	C	.	.			trans	-96.6	104.2	174.6	-61.2	172.1	-67.5	-179.2	-0.9	109	G89 A208 F224 D225	G89-R221 WeakPolarHBondContact O-CD 3.19Å; G89-R221 PolarHBondContact O-NH1 3.37Å; A208-R221 PolarHBondContact O-NH2 3.48Å; R221-F224 HydrophobicContact CB-CB 4.04Å; R221-F224 HydrophobicContact CB-CD1 4.37Å; R221-F224 PolarHBondContact O-N 3.06Å; R221-F224 VanDerWaalsContact O-N 3.12Å; R221-D225 HydrophobicContact CB-CB 4.49Å; R221-D225 VanDerWaalsContact CB-OD2 3.3Å; R221-D225 WeakPolarHBondContact CB-OD2 3.42Å; R221-D225 WeakPolarHBondContact CG-OD2 3.43Å; R221-D225 IonicContact CZ-OD1 2.81Å; R221-D225 IonicContact CZ-OD2 3.3Å; R221-D225 PolarHBondContact N-OD2 3.19Å; R221-D225 IonicContact NE-OD1 3.08Å; R221-D225 PolarHBondContact NE-OD1 3.22Å; R221-D225 IonicContact NE-OD2 3.79Å; R221-D225 PolarHBondContact NE-OD2 3.26Å; R221-D225 IonicContact NH2-OD1 2.67Å; R221-D225 PolarHBondContact NH2-OD1 3.35Å; R221-D225 IonicContact NH2-OD2 2.66Å; R221-D225 PolarHBondContact NH2-OD2 2.91Å; R221-D225 PolarHBondContact O-N 3.35Å
222	P	91.2	Very high	92.5	Very high	93 Å²	93	29 Å²	29	60%	0.604	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	140.7	-174.5	-22.7	34.7	0	0	0	111.7	F220 F224	F220-P222 HydrophobicContact CD1-CG 4.29Å; F220-P222 HydrophobicContact CE1-CB 4.35Å; F220-P222 HydrophobicContact CE1-CG 4.5Å; F220-P222 WeakPolarHBondContact O-CD 3.28Å; P222-F224 PolarHBondContact O-N 3.29Å
223	N	91.3	Very high	92.2	Very high	108 Å²	108	33.1 Å²	33.1	58%	0.578	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	10.7	-177.6	-52.1	-28.7	0	0	0	114.6	M94	M94-N223 WeakPolarHBondContact CG-O 3.35Å
224	F	94.5	Very high	91.9	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.013	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	-56.1	174.2	-171.6	-103.6	0	0	0	110.4	C92 R93 M94 C97 F98 Q207 M209 R221 P222 R427	C92-F224 HydrophobicContact CB-CD1 3.95Å; C92-F224 HydrophobicContact CB-CE1 3.71Å; C92-F224 HydrophobicContact CB-CE2 4.48Å; C92-F224 HydrophobicContact CB-CG 4.43Å; C92-F224 HydrophobicContact CB-CZ 4Å; R93-F224 VanDerWaalsContact C-CD2 3.47Å; M94-F224 HydrophobicContact CG-CD2 4.32Å; M94-F224 HydrophobicContact SD-CD2 3.87Å; M94-F224 HydrophobicContact SD-CE2 4.34Å; C97-F224 HydrophobicContact CB-CE2 3.87Å; C97-F224 HydrophobicContact CB-CZ 3.71Å; F98-F224 HydrophobicContact CB-CE2 4.45Å; Q207-F224 WeakPolarHBondContact O-CZ 3.33Å; M209-F224 HydrophobicContact CB-CE1 4.3Å; M209-F224 HydrophobicContact CB-CZ 4.41Å; M209-F224 HydrophobicContact CE-CD2 4.41Å; M209-F224 HydrophobicContact CE-CE2 4.42Å; M209-F224 WeakPolarHBondContact CE-O 3.2Å; M209-F224 WeakPolarHBondContact CG-O 3.32Å; R221-F224 HydrophobicContact CB-CB 4.04Å; R221-F224 HydrophobicContact CB-CD1 4.37Å; R221-F224 PolarHBondContact O-N 3.06Å; R221-F224 VanDerWaalsContact O-N 3.12Å; P222-F224 PolarHBondContact O-N 3.29Å; F224-R427 VanDerWaalsContact C-NH1 3.29Å; F224-R427 PolarHBondContact O-NH1 2.82Å
225	D	95.6	Very high	91.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-78.5	163.5	172.5	-68.1	-35.5	0	0	0	112.1	L210 F220 R221 R427	L210-D225 WeakPolarHBondContact CB-OD1 3.31Å; L210-D225 PolarHBondContact N-OD1 2.94Å; L210-D225 WeakPolarHBondContact O-CB 3.43Å; F220-D225 HydrophobicContact CD2-CB 3.8Å; F220-D225 HydrophobicContact CE2-CB 3.67Å; F220-D225 WeakPolarHBondContact CE2-O 3.37Å; R221-D225 HydrophobicContact CB-CB 4.49Å; R221-D225 VanDerWaalsContact CB-OD2 3.3Å; R221-D225 WeakPolarHBondContact CB-OD2 3.42Å; R221-D225 WeakPolarHBondContact CG-OD2 3.43Å; R221-D225 IonicContact CZ-OD1 2.81Å; R221-D225 IonicContact CZ-OD2 3.3Å; R221-D225 PolarHBondContact N-OD2 3.19Å; R221-D225 IonicContact NE-OD1 3.08Å; R221-D225 PolarHBondContact NE-OD1 3.22Å; R221-D225 IonicContact NE-OD2 3.79Å; R221-D225 PolarHBondContact NE-OD2 3.26Å; R221-D225 IonicContact NH2-OD1 2.67Å; R221-D225 PolarHBondContact NH2-OD1 3.35Å; R221-D225 IonicContact NH2-OD2 2.66Å; R221-D225 PolarHBondContact NH2-OD2 2.91Å; R221-D225 PolarHBondContact O-N 3.35Å; D225-R427 PolarHBondContact O-NH2 2.9Å
226	V	97.4	Very high	91.9	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.3	174.8	-174.3	0	0	0	0	108.9	M209 L210 A211 K212 I228 F362 T420 I423 I424	M209-V226 HydrophobicContact SD-CG2 4.29Å; L210-V226 PolarHBondContact O-N 3.5Å; A211-V226 CarbonylContact C-O 3.2Å; A211-V226 VanDerWaalsContact CA-O 3.29Å; A211-V226 WeakPolarHBondContact CA-O 3.29Å; K212-V226 PolarHBondContact N-O 3.17Å; V226-I228 HydrophobicContact CG1-CG2 4.16Å; V226-F362 HydrophobicContact CG1-CD1 3.79Å; V226-F362 HydrophobicContact CG1-CE1 3.8Å; V226-T420 HydrophobicContact CB-CG2 4.19Å; V226-T420 HydrophobicContact CG1-CG2 4.07Å; V226-T420 HydrophobicContact CG2-CG2 4.25Å; V226-I423 HydrophobicContact CG1-CD1 4.19Å; V226-I423 HydrophobicContact CG2-CG2 4.17Å; V226-I424 HydrophobicContact CG2-CD1 4.47Å; V226-I424 HydrophobicContact CG2-CG1 4.2Å
227	S	96.6	Very high	91.9	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.007	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125	171.6	-176.5	0	0	0	0	109.5	E359 L360 P361 F362	S227-E359 PolarHBondContact OG-O 3.41Å; S227-L360 WeakPolarHBondContact CB-O 3.37Å; S227-L360 PolarHBondContact OG-O 3.15Å; S227-P361 CarbonylContact O-C 3.52Å; S227-P361 WeakPolarHBondContact O-CA 3.46Å; S227-F362 WeakPolarHBondContact O-CD1 3.46Å; S227-F362 PolarHBondContact O-N 3.19Å
228	I	97.4	Very high	91.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	155.7	179.7	63	168.5	0	0	0	110.6	F187 L189 A211 K212 A213 V226 F362 I416	F187-I228 HydrophobicContact CD1-CD1 4.23Å; L189-I228 HydrophobicContact CD2-CD1 3.91Å; A211-I228 HydrophobicContact CB-CD1 4.36Å; A211-I228 HydrophobicContact CB-CG2 4.12Å; A211-I228 VanDerWaalsContact O-CD1 3.31Å; A211-I228 WeakPolarHBondContact O-CD1 3.47Å; K212-I228 VanDerWaalsContact C-CG1 3.49Å; K212-I228 PolarHBondContact O-N 3.49Å; K212-I228 VanDerWaalsContact O-N 3.15Å; A213-I228 VanDerWaalsContact CA-O 3.26Å; A213-I228 WeakPolarHBondContact CA-O 3.4Å; A213-I228 HydrophobicContact CB-CG1 4.25Å; A213-I228 WeakPolarHBondContact CB-O 3.36Å; V226-I228 HydrophobicContact CG1-CG2 4.16Å; I228-F362 HydrophobicContact CG2-CE1 3.85Å; I228-F362 HydrophobicContact CG2-CZ 4.27Å; I228-I416 HydrophobicContact CB-CG2 4.34Å
229	P	95.9	Very high	91.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.			trans	-73.6	154.1	179.2	34.9	-39.3	0	0	0	111.3	F231 L342 P361 F410 I416	P229-F231 WeakPolarHBondContact O-CD1 3.5Å; P229-F231 PolarHBondContact O-N 3.17Å; P229-L342 HydrophobicContact CB-CD1 4.05Å; P229-L342 HydrophobicContact CB-CD2 3.7Å; P229-L342 HydrophobicContact CB-CG 4.03Å; P229-L342 HydrophobicContact CG-CD1 4.4Å; P229-L342 HydrophobicContact CG-CD2 4.25Å; P229-P361 HydrophobicContact CB-CB 4.08Å; P229-P361 HydrophobicContact CB-CG 3.82Å; P229-F410 HydrophobicContact CB-CD1 4.31Å; P229-F410 HydrophobicContact CB-CE1 4.32Å; P229-F410 HydrophobicContact CG-CD1 3.77Å; P229-F410 HydrophobicContact CG-CE1 3.94Å; P229-I416 HydrophobicContact CG-CD1 3.63Å; P229-I416 HydrophobicContact CG-CG1 3.9Å; P229-I416 HydrophobicContact CG-CG2 4.19Å
230	L	94.3	Very high	90.6	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.073	21%	0.205	C	C	.	.			trans	-81	114.7	169.6	-175.4	64.7	0	0	0	109.7	L189 Y190 A213 F339 L342	L189-L230 HydrophobicContact CB-CD1 3.97Å; L189-L230 WeakPolarHBondContact O-CD1 3.42Å; Y190-L230 HydrophobicContact CD1-CD1 4.18Å; Y190-L230 HydrophobicContact CE1-CD1 3.69Å; A213-L230 HydrophobicContact CB-CB 4.16Å; A213-L230 HydrophobicContact CB-CD1 4.23Å; L230-F339 HydrophobicContact CD1-CE1 4.25Å; L230-F339 HydrophobicContact CD2-CD1 4.21Å; L230-F339 HydrophobicContact CD2-CD2 4.48Å; L230-F339 HydrophobicContact CD2-CE1 3.98Å; L230-F339 HydrophobicContact CD2-CE2 4.27Å; L230-F339 HydrophobicContact CD2-CG 4.46Å; L230-F339 HydrophobicContact CD2-CZ 4.02Å; L230-F339 HydrophobicContact CG-CD1 3.92Å; L230-F339 HydrophobicContact CG-CE1 3.6Å; L230-F339 HydrophobicContact CG-CZ 4.06Å; L230-L342 WeakPolarHBondContact O-CD1 3.46Å
231	F	93.6	Very high	89.9	Confident	4 Å²	4	43.7 Å²	43.7	2%	0.018	23%	0.228	C	C	.	.			trans	-118.3	149.3	177.4	58.3	-95.1	0	0	0	112	I128 L189 Y190 P229 H235 F339 L342 V413 I416	I128-F231 HydrophobicContact CD1-CZ 4.21Å; L189-F231 HydrophobicContact CD1-CD1 4.42Å; L189-F231 HydrophobicContact CD1-CD2 4.16Å; L189-F231 HydrophobicContact CD1-CE1 4.04Å; L189-F231 HydrophobicContact CD1-CE2 3.75Å; L189-F231 HydrophobicContact CD1-CG 4.49Å; L189-F231 HydrophobicContact CD1-CZ 3.7Å; L189-F231 HydrophobicContact CD2-CD1 4.13Å; L189-F231 HydrophobicContact CD2-CE1 3.78Å; L189-F231 HydrophobicContact CD2-CZ 4.22Å; L189-F231 HydrophobicContact CG-CE1 4.5Å; L189-F231 HydrophobicContact CG-CZ 4.47Å; Y190-F231 PolarHBondContact OH-O 3.25Å; P229-F231 WeakPolarHBondContact O-CD1 3.5Å; P229-F231 PolarHBondContact O-N 3.17Å; F231-H235 HydrophobicContact CB-CB 3.94Å; F231-H235 HydrophobicContact CD2-CB 4.29Å; F231-F339 VanDerWaalsContact C-CE1 3.49Å; F231-L342 HydrophobicContact CB-CD1 3.85Å; F231-V413 HydrophobicContact CD2-CG2 4.07Å; F231-V413 HydrophobicContact CE2-CG1 4.42Å; F231-V413 HydrophobicContact CE2-CG2 3.83Å; F231-V413 HydrophobicContact CZ-CG1 4.24Å; F231-V413 HydrophobicContact CZ-CG2 4.34Å; F231-I416 HydrophobicContact CD1-CD1 3.78Å; F231-I416 HydrophobicContact CE1-CD1 4.24Å; F231-I416 HydrophobicContact CE1-CG2 4.4Å; F231-I416 HydrophobicContact CG-CD1 4.41Å
232	S	89.6	Confident	89.4	Confident	36 Å²	36	49 Å²	49	25%	0.252	25%	0.248	S	C	.	.			trans	-86.2	173.9	-177.6	77	0	0	0	0	111.7	E234 H235	S232-E234 WeakPolarHBondContact CB-OE2 2.94Å; S232-E234 PolarHBondContact O-N 3.02Å; S232-E234 PolarHBondContact OG-N 3.13Å; S232-E234 PolarHBondContact OG-OE2 3.18Å; S232-H235 VanDerWaalsContact O-CB 3.28Å; S232-H235 WeakPolarHBondContact O-CB 3.04Å; S232-H235 PolarHBondContact O-N 3.45Å
233	K	87.5	Confident	88.5	Confident	91 Å²	91	45 Å²	45	40%	0.396	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.4	179.5	-62.3	-179	-175.1	178.8	0	112.1	Q163 H235	Q163-K233 VanDerWaalsContact CD-NZ 3.29Å; K233-H235 VanDerWaalsContact C-N 3.27Å; K233-H235 PolarHBondContact O-N 3.3Å
234	E	88.3	Confident	87.7	Confident	154 Å²	154	43.4 Å²	43.4	72%	0.72	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-5	179.2	-50.2	73.1	-153.7	0	0	112.6	S232	S232-E234 WeakPolarHBondContact CB-OE2 2.94Å; S232-E234 PolarHBondContact O-N 3.02Å; S232-E234 PolarHBondContact OG-N 3.13Å; S232-E234 PolarHBondContact OG-OE2 3.18Å
235	H	92.2	Very high	86.5	Confident	21 Å²	21	45.7 Å²	45.7	10%	0.097	22%	0.224	C	C	.	.	S	Bend	trans	-66.2	129.4	178.2	-166.6	71	0	0	0	110	F231 S232 K233 W406 F410 S412	F231-H235 HydrophobicContact CB-CB 3.94Å; F231-H235 HydrophobicContact CD2-CB 4.29Å; S232-H235 VanDerWaalsContact O-CB 3.28Å; S232-H235 WeakPolarHBondContact O-CB 3.04Å; S232-H235 PolarHBondContact O-N 3.45Å; K233-H235 VanDerWaalsContact C-N 3.27Å; K233-H235 PolarHBondContact O-N 3.3Å; H235-W406 AromaticContact CE1-CH2 3.82Å; H235-F410 PolarHBondContact CE1-O 3.46Å; H235-F410 PolarHBondContact NE2-O 2.89Å; H235-F410 VanDerWaalsContact NE2-O 3.15Å; H235-S412 VanDerWaalsContact NE2-CA 3.34Å; H235-S412 WeakPolarHBondContact NE2-CA 3.34Å; H235-S412 PolarHBondContact NE2-N 2.83Å
236	P	91.6	Very high	84.7	Confident	49 Å²	49	53.4 Å²	53.4	32%	0.318	26%	0.257	S	S	.	.			trans	-64.4	141.4	-169.8	24.6	-34.8	0	0	0	112	G240 S411 S412 V413	P236-G240 VanDerWaalsContact CG-CA 3.43Å; P236-S411 WeakPolarHBondContact CG-O 3.48Å; P236-S412 VanDerWaalsContact O-CA 3.27Å; P236-S412 WeakPolarHBondContact O-CA 3.46Å; P236-S412 VanDerWaalsContact O-CB 3.31Å; P236-S412 WeakPolarHBondContact O-CB 3.43Å; P236-V413 PolarHBondContact O-N 3.32Å
237	R	90	Very high	82.5	Confident	129 Å²	129	61.8 Å²	61.8	49%	0.487	29%	0.29	S	S	.	.	S	Bend	trans	-64.9	-53.5	177.5	-170.9	-173	73.1	-173	1.6	111.8	N127 S412 E414	N127-R237 HydrophobicContact CB-CG 4.02Å; N127-R237 VanDerWaalsContact OD1-CD 3.24Å; N127-R237 WeakPolarHBondContact OD1-CD 3.26Å; R237-S412 WeakPolarHBondContact O-CB 3.32Å; R237-E414 VanDerWaalsContact O-CB 3.22Å; R237-E414 WeakPolarHBondContact O-CB 3.28Å; R237-E414 PolarHBondContact O-N 3.41Å
238	T	86.5	Confident	80.1	Confident	38 Å²	38	68.9 Å²	68.9	23%	0.233	33%	0.328	C	S	.	.	S	Bend	trans	-134.6	143.2	-175.3	51.7	0	0	0	0	110.2	G240 E414	T238-G240 PolarHBondContact O-N 2.92Å; T238-E414 HydrophobicContact CG2-CB 4.27Å; T238-E414 WeakPolarHBondContact CG2-OE2 3.46Å
239	G	71.6	Confident	77.8	Confident	18 Å²	18	71.6 Å²	71.6	19%	0.186	35%	0.347	C	S	.	.	S	Bend	trans	55.1	49.6	172.2	0	0	0	0	0	116.3
240	G	75.6	Confident	75.9	Confident	15 Å²	15	77.3 Å²	77.3	16%	0.155	38%	0.376	C	S	.	.			trans	-65	176.1	-177.6	0	0	0	0	0	115.9	P236 T238 R242 S411	P236-G240 VanDerWaalsContact CG-CA 3.43Å; T238-G240 PolarHBondContact O-N 2.92Å; G240-R242 PolarHBondContact O-N 2.72Å; G240-S411 VanDerWaalsContact CA-O 3.24Å; G240-S411 WeakPolarHBondContact CA-O 3.48Å
241	E	76.1	Confident	74	Confident	124 Å²	124	79.9 Å²	79.9	58%	0.579	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-56.2	136.9	-174.1	-65.3	-174	164.1	0	0	111.9	Q346 W406	E241-Q346 PolarHBondContact OE2-NE2 3.11Å; E241-W406 PolarHBondContact O-NE1 3.23Å
242	R	80.3	Confident	72.5	Confident	129 Å²	129	80.8 Å²	80.8	49%	0.487	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-61.8	154.7	173.3	-65.8	-169.9	-174.3	-170.2	2.2	110	G240 M709	G240-R242 PolarHBondContact O-N 2.72Å; R242-M709 PolarHBondContact NH2-O 3.17Å; R242-M709 VanDerWaalsContact NH2-O 3.08Å
243	G	72.4	Confident	71.4	Confident	7 Å²	7	87.2 Å²	87.2	7%	0.072	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-59.5	153.4	172.4	0	0	0	0	0	111.5	L245	G243-L245 VanDerWaalsContact C-N 3.27Å; G243-L245 PolarHBondContact O-N 2.75Å
244	F	74.1	Confident	71.1	Confident	75 Å²	75	84.9 Å²	84.9	33%	0.329	41%	0.412	S	S	.	.	S	Bend	trans	-79.9	-2.5	-176	-78.8	-91.6	0	0	0	114.5	K246 H323 Q346	F244-K246 VanDerWaalsContact C-N 3.27Å; F244-K246 PolarHBondContact O-N 3.14Å; F244-H323 AromaticContact CD1-CE1 3.35Å; F244-H323 WeakPolarHBondContact CD1-CE1 3.2Å; F244-H323 AromaticContact CD1-ND1 3.71Å; F244-H323 AromaticContact CD1-NE2 3.88Å; F244-H323 AromaticContact CD2-CE1 3.42Å; F244-H323 VanDerWaalsContact CD2-CE1 3.42Å; F244-H323 WeakPolarHBondContact CD2-CE1 3.38Å; F244-H323 AromaticContact CE1-CE1 3.38Å; F244-H323 WeakPolarHBondContact CE1-CE1 3.46Å; F244-H323 AromaticContact CE1-NE2 3.55Å; F244-H323 AromaticContact CE2-CE1 3.45Å; F244-H323 VanDerWaalsContact CE2-CE1 3.45Å; F244-H323 WeakPolarHBondContact CE2-CE1 3.46Å; F244-H323 AromaticContact CG-CE1 3.36Å; F244-H323 WeakPolarHBondContact CG-CE1 3.2Å; F244-H323 AromaticContact CG-ND1 3.62Å; F244-H323 AromaticContact CZ-CE1 3.44Å; F244-H323 VanDerWaalsContact CZ-CE1 3.44Å; F244-H323 WeakPolarHBondContact CZ-CE1 3.33Å; F244-H323 AromaticContact CZ-NE2 3.68Å; F244-Q346 HydrophobicContact CD2-CG 4Å; F244-Q346 WeakPolarHBondContact CD2-O 3.45Å; F244-Q346 HydrophobicContact CE2-CG 3.89Å; F244-Q346 PolarHBondContact N-O 3.32Å; F244-Q346 VanDerWaalsContact N-O 3.09Å
245	L	69.9	Low	71	Confident	52 Å²	52	84.3 Å²	84.3	27%	0.272	41%	0.408	S	S	.	.			trans	-75.8	80.7	173.3	-165.8	72.5	0	0	0	110.2	G243 A348 Q400 Q403	G243-L245 VanDerWaalsContact C-N 3.27Å; G243-L245 PolarHBondContact O-N 2.75Å; L245-A348 HydrophobicContact CB-CB 3.94Å; L245-A348 HydrophobicContact CD1-CB 4.45Å; L245-Q400 HydrophobicContact CD2-CG 4.46Å; L245-Q403 HydrophobicContact CB-CG 3.64Å; L245-Q403 VanDerWaalsContact CB-OE1 3.28Å; L245-Q403 HydrophobicContact CD2-CG 4.1Å
246	K	58.2	Low	71	Confident	162 Å²	162	84 Å²	84	70%	0.704	41%	0.406	S	S	*	.			trans	-75.3	131.3	171.1	-62.6	-176.4	-178.8	179.2	0	109.1	F244 S249	F244-K246 VanDerWaalsContact C-N 3.27Å; F244-K246 PolarHBondContact O-N 3.14Å; K246-S249 PolarHBondContact O-OG 3.4Å
247	Y	50.5	Low	71.1	Confident	177 Å²	177	84 Å²	84	69%	0.694	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-12.2	135.8	-175.4	-60.4	-82.6	0	0	0	118.6	S249	Y247-S249 VanDerWaalsContact C-N 3.25Å; Y247-S249 PolarHBondContact O-N 3.34Å
248	N	46.2	Very low	71.4	Confident	151 Å²	151	78 Å²	78	81%	0.807	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.2	35.4	158.7	-72.4	1	0	0	0	117.7	I250	N248-I250 PolarHBondContact O-N 2.95Å
249	S	50.2	Low	71.9	Confident	57 Å²	57	76.2 Å²	76.2	40%	0.399	37%	0.369	S	S	.	.			trans	-76.5	84.6	160.5	23.8	0	0	0	0	107.3	K246 Y247 P252	K246-S249 PolarHBondContact O-OG 3.4Å; Y247-S249 VanDerWaalsContact C-N 3.25Å; Y247-S249 PolarHBondContact O-N 3.34Å; S249-P252 WeakPolarHBondContact O-CD 3.41Å; S249-P252 WeakPolarHBondContact O-CG 3.28Å
250	I	55.3	Low	73	Confident	120 Å²	120	75.6 Å²	75.6	62%	0.615	36%	0.361	S	S	*	.	S	Bend	trans	-111.1	118.4	169.4	-60.2	175.3	0	0	0	107.1	N248	N248-I250 PolarHBondContact O-N 2.95Å
251	P	54.8	Low	73.8	Confident	68 Å²	68	75.6 Å²	75.6	44%	0.442	36%	0.357	S	S	.	.	S	Bend	cis	-85.5	137.8	-14.9	-3.8	24.5	0	0	0	110.4	F253	P251-F253 HydrophobicContact CB-CD2 3.93Å; P251-F253 HydrophobicContact CB-CE2 3.76Å; P251-F253 HydrophobicContact CB-CZ 4.21Å; P251-F253 HydrophobicContact CG-CD2 4.16Å; P251-F253 HydrophobicContact CG-CE2 3.62Å; P251-F253 HydrophobicContact CG-CZ 4.2Å; P251-F253 PolarHBondContact O-N 2.96Å
252	P	61.5	Low	74.6	Confident	24 Å²	24	70.1 Å²	70.1	16%	0.156	33%	0.333	C	S	.	.			trans	-82.5	80.3	167.1	19.3	-1.5	0	0	0	106.6	S249 R254	S249-P252 WeakPolarHBondContact O-CD 3.41Å; S249-P252 WeakPolarHBondContact O-CG 3.28Å; P252-R254 PolarHBondContact O-N 2.99Å
253	F	66.8	Low	75	Confident	171 Å²	171	68.9 Å²	68.9	75%	0.75	33%	0.331	S	S	*	.			trans	-60.9	108.1	166.8	-73.8	-72.1	0	0	0	107.4	P251	P251-F253 HydrophobicContact CB-CD2 3.93Å; P251-F253 HydrophobicContact CB-CE2 3.76Å; P251-F253 HydrophobicContact CB-CZ 4.21Å; P251-F253 HydrophobicContact CG-CD2 4.16Å; P251-F253 HydrophobicContact CG-CE2 3.62Å; P251-F253 HydrophobicContact CG-CZ 4.2Å; P251-F253 PolarHBondContact O-N 2.96Å
254	R	80.2	Confident	75.7	Confident	41 Å²	41	68.7 Å²	68.7	16%	0.155	33%	0.328	C	S	.	.			trans	-89.7	144	178	-80.6	-171.4	173	-169	-2.2	108.3	P252 Y256 H323 N324 S325 A347 A348 R399	P252-R254 PolarHBondContact O-N 2.99Å; R254-Y256 VanDerWaalsContact C-N 3.26Å; R254-Y256 PolarHBondContact O-N 3.44Å; R254-H323 PolarHBondContact NE-O 3.29Å; R254-H323 PolarHBondContact NH1-O 2.92Å; R254-H323 PolarHBondContact NH2-O 2.85Å; R254-N324 WeakPolarHBondContact CB-O 3.33Å; R254-S325 WeakPolarHBondContact CD-O 3.39Å; R254-S325 PolarHBondContact NH1-O 3.38Å; R254-A347 PolarHBondContact NH1-O 2.8Å; R254-A347 VanDerWaalsContact NH1-O 3.15Å; R254-A347 PolarHBondContact NH2-O 2.93Å; R254-A348 PolarHBondContact NH1-O 3.15Å; R254-R399 VanDerWaalsContact CZ-NH2 3.26Å; R254-R399 VanDerWaalsContact NE-NH2 3.14Å
255	K	87.6	Confident	75.9	Confident	143 Å²	143	66.9 Å²	66.9	62%	0.622	32%	0.319	S	S	*	.	S	Bend	trans	-57.4	-40.7	-175.6	-178.8	-179.6	176.5	-168.8	0	112	N324	K255-N324 HydrophobicContact CB-CB 4.42Å; K255-N324 PolarHBondContact N-O 2.96Å; K255-N324 VanDerWaalsContact N-O 3.13Å
256	Y	92.7	Very high	76.1	Confident	14 Å²	14	65.8 Å²	65.8	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.6	-176.8	-51.3	-67.3	0	0	0	111.2	R254 V259 V287 M321 N324 S325 T326	R254-Y256 VanDerWaalsContact C-N 3.26Å; R254-Y256 PolarHBondContact O-N 3.44Å; Y256-V259 VanDerWaalsContact CB-CG1 3.46Å; Y256-V259 HydrophobicContact CD2-CG1 4.11Å; Y256-V259 HydrophobicContact CG-CG1 3.84Å; Y256-V287 HydrophobicContact CD1-CB 4.46Å; Y256-V287 HydrophobicContact CD1-CG2 3.64Å; Y256-V287 HydrophobicContact CE1-CG2 3.71Å; Y256-M321 HydrophobicContact CD2-CG 4.27Å; Y256-M321 HydrophobicContact CE2-CG 4.19Å; Y256-N324 HydrophobicContact CD2-CB 4.28Å; Y256-N324 HydrophobicContact CE2-CB 4.44Å; Y256-N324 PolarHBondContact N-O 2.92Å; Y256-S325 WeakPolarHBondContact O-CA 3.38Å; Y256-T326 PolarHBondContact O-N 2.81Å; Y256-T326 PolarHBondContact O-OG1 2.73Å
257	M	93.4	Very high	76.7	Confident	50 Å²	50	60.8 Å²	60.8	25%	0.246	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-54.7	172.6	-178.7	58.5	71.7	0	0	110	D285 F327 V387 R388	M257-D285 HydrophobicContact CB-CB 4.06Å; M257-D285 PolarHBondContact N-O 3.45Å; M257-F327 WeakPolarHBondContact O-CB 3.39Å; M257-F327 WeakPolarHBondContact O-CD2 3.15Å; M257-F327 PolarHBondContact O-N 2.74Å; M257-F327 HydrophobicContact SD-CD2 3.75Å; M257-F327 HydrophobicContact SD-CE2 3.78Å; M257-V387 HydrophobicContact CG-CG2 4.1Å; M257-R388 HydrophobicContact CG-CG 4.4Å
258	L	95.8	Very high	77.4	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.4	-175.2	178.5	67.9	0	0	0	110.5	D285 V286 V287 L288 F327 L329 V352 I383	L258-D285 PolarHBondContact N-O 3.09Å; L258-D285 VanDerWaalsContact N-O 3.16Å; L258-V286 HydrophobicContact CB-CG1 4.34Å; L258-V286 HydrophobicContact CB-CG2 4.35Å; L258-V286 HydrophobicContact CD2-CG1 4.2Å; L258-V286 WeakPolarHBondContact O-CA 3.43Å; L258-V287 PolarHBondContact O-N 2.87Å; L258-L288 HydrophobicContact CD2-CD2 4.45Å; L258-L288 HydrophobicContact CG-CD2 4.24Å; L258-F327 WeakPolarHBondContact CA-O 3.28Å; L258-F327 HydrophobicContact CD1-CB 3.73Å; L258-L329 HydrophobicContact CD1-CB 4.17Å; L258-V352 HydrophobicContact CD1-CB 4.49Å; L258-V352 HydrophobicContact CD1-CG2 4.05Å; L258-I383 HydrophobicContact CD2-CG2 3.84Å
259	V	95.9	Very high	78.3	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.7	178.1	-58	0	0	0	0	115	Y256 V287 M321 S325 F327 L329	Y256-V259 VanDerWaalsContact CB-CG1 3.46Å; Y256-V259 HydrophobicContact CD2-CG1 4.11Å; Y256-V259 HydrophobicContact CG-CG1 3.84Å; V259-V287 CarbonylContact C-O 3.52Å; V259-V287 WeakPolarHBondContact CA-O 3.18Å; V259-V287 HydrophobicContact CG1-CB 4.16Å; V259-M321 HydrophobicContact CB-CE 3.85Å; V259-M321 HydrophobicContact CB-CG 4.04Å; V259-M321 HydrophobicContact CB-SD 4.01Å; V259-M321 HydrophobicContact CG1-CG 3.9Å; V259-M321 HydrophobicContact CG1-SD 4.24Å; V259-M321 HydrophobicContact CG2-CE 3.94Å; V259-M321 HydrophobicContact CG2-CG 4.27Å; V259-S325 WeakPolarHBondContact CG1-OG 3.49Å; V259-S325 WeakPolarHBondContact CG2-OG 3.33Å; V259-F327 PolarHBondContact N-O 2.94Å; V259-L329 PolarHBondContact O-N 2.88Å
260	F	95.3	Very high	78.9	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	139.8	165.9	178.6	-107.7	0	0	0	109.2	L277 V287 L288 L289 T290 L329 P331 R340	F260-L277 HydrophobicContact CD1-CD1 3.41Å; F260-L277 VanDerWaalsContact CD1-CD1 3.41Å; F260-L277 HydrophobicContact CE1-CD1 3.56Å; F260-L277 HydrophobicContact CG-CD1 4.12Å; F260-L277 HydrophobicContact CZ-CD1 4.39Å; F260-V287 PolarHBondContact N-O 3.32Å; F260-L288 HydrophobicContact CB-CB 4.34Å; F260-L288 HydrophobicContact CB-CD2 3.64Å; F260-L288 CarbonylContact O-C 3.58Å; F260-L289 PolarHBondContact O-N 3.43Å; F260-T290 HydrophobicContact CD1-CG2 4.34Å; F260-T290 HydrophobicContact CE1-CG2 4.11Å; F260-L329 HydrophobicContact CB-CB 4.14Å; F260-L329 HydrophobicContact CB-CD2 4.48Å; F260-L329 WeakPolarHBondContact CD2-O 3.48Å; F260-P331 HydrophobicContact CD2-CG 3.76Å; F260-P331 HydrophobicContact CE1-CG 4.37Å; F260-P331 HydrophobicContact CE2-CG 3.3Å; F260-P331 HydrophobicContact CG-CG 4.46Å; F260-P331 HydrophobicContact CZ-CG 3.64Å; F260-R340 HydrophobicContact CE2-CG 4.33Å
261	K	93.5	Very high	79.6	Confident	16 Å²	16	44.4 Å²	44.4	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	116.4	167.1	178.4	168	174.3	158.7	0	108.7	L289 Y313 Y316 Y318 M321 R340	K261-L289 VanDerWaalsContact CA-O 3.32Å; K261-L289 WeakPolarHBondContact CA-O 3.15Å; K261-L289 HydrophobicContact CB-CB 4.47Å; K261-L289 HydrophobicContact CG-CB 4.45Å; K261-Y313 HydrophobicContact CB-CE2 4.5Å; K261-Y313 HydrophobicContact CD-CD2 4.45Å; K261-Y313 HydrophobicContact CD-CE2 4.09Å; K261-Y313 HydrophobicContact CG-CD2 3.91Å; K261-Y313 HydrophobicContact CG-CE2 3.31Å; K261-Y313 PolarHBondContact NZ-O 3.01Å; K261-Y316 PolarHBondContact NZ-O 2.74Å; K261-Y318 HydrophobicContact CB-CD2 3.98Å; K261-Y318 HydrophobicContact CB-CE2 4.4Å; K261-Y318 HydrophobicContact CD-CD2 4.19Å; K261-Y318 HydrophobicContact CG-CD2 4.16Å; K261-M321 HydrophobicContact CB-CE 3.33Å; K261-M321 HydrophobicContact CB-SD 4.31Å; K261-R340 PolarHBondContact O-NH1 3.24Å
262	G	91.4	Very high	80.7	Confident	8 Å²	8	47.3 Å²	47.3	8%	0.082	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	-175.4	-176.6	0	0	0	0	0	115.3	L289 T290 T291	G262-L289 PolarHBondContact N-O 3.17Å; G262-L289 VanDerWaalsContact N-O 3.16Å; G262-T290 CarbonylContact O-C 3.31Å; G262-T290 WeakPolarHBondContact O-CA 3.34Å; G262-T291 PolarHBondContact O-N 3.14Å
263	K	88.6	Confident	81.7	Confident	103 Å²	103	47.2 Å²	47.2	45%	0.448	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	135	-178.7	-64.4	177.5	177.2	175.5	0	111.4	Y265 R274 T291 H294	K263-Y265 HydrophobicContact CB-CE1 4.33Å; K263-R274 WeakPolarHBondContact O-CD 3.19Å; K263-R274 PolarHBondContact O-NH1 3.5Å; K263-T291 CarbonylContact C-O 3.59Å; K263-T291 WeakPolarHBondContact CA-O 3.21Å; K263-T291 HydrophobicContact CG-CG2 4.1Å; K263-H294 HydrophobicContact CD-CB 4.03Å
264	R	86.9	Confident	82.6	Confident	4 Å²	4	39.4 Å²	39.4	2%	0.015	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-92.6	119.8	165.2	176.6	165	73.1	107.1	5.5	108.4	N275 T290 T291 C292 H294 D303 R305 C306 D309	R264-N275 PolarHBondContact NH1-OD1 2.79Å; R264-T290 HydrophobicContact CB-CG2 4.48Å; R264-T291 PolarHBondContact N-O 2.89Å; R264-C292 PolarHBondContact NH2-SG 3.41Å; R264-H294 PolarHBondContact O-CD2 2.98Å; R264-H294 PolarHBondContact O-NE2 3.41Å; R264-D303 IonicContact CZ-OD1 2.83Å; R264-D303 IonicContact CZ-OD2 3.55Å; R264-D303 VanDerWaalsContact CZ-OD2 3.25Å; R264-D303 IonicContact NH1-OD1 3.05Å; R264-D303 IonicContact NH1-OD2 3.47Å; R264-D303 PolarHBondContact NH1-OD2 3.13Å; R264-D303 VanDerWaalsContact NH2-CG 3.33Å; R264-D303 IonicContact NH2-OD1 2.66Å; R264-D303 PolarHBondContact NH2-OD1 2.97Å; R264-D303 IonicContact NH2-OD2 2.76Å; R264-D303 PolarHBondContact NH2-OD2 3.41Å; R264-R305 VanDerWaalsContact NE-NH2 3.16Å; R264-C306 PolarHBondContact NH2-SG 2.82Å; R264-C306 VanDerWaalsContact NH2-SG 3.44Å; R264-D309 IonicContact CZ-OD2 2.69Å; R264-D309 IonicContact NE-OD2 3.85Å; R264-D309 PolarHBondContact NE-OD2 2.93Å; R264-D309 IonicContact NH2-OD2 3.26Å; R264-D309 PolarHBondContact NH2-OD2 3.11Å
265	Y	79.4	Confident	83	Confident	36 Å²	36	40.1 Å²	40.1	14%	0.141	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-80.4	124.9	176.6	-56.3	-58.6	0	0	0	108.3	K263 T267 S271 R274 R334	K263-Y265 HydrophobicContact CB-CE1 4.33Å; Y265-T267 VanDerWaalsContact C-N 3.34Å; Y265-S271 VanDerWaalsContact O-CB 3.24Å; Y265-S271 WeakPolarHBondContact O-CB 3.27Å; Y265-S271 PolarHBondContact O-OG 2.96Å; Y265-R274 VanDerWaalsContact CE2-NH1 3.34Å; Y265-R274 PolarHBondContact OH-NH1 2.99Å; Y265-R334 HydrophobicContact CD1-CG 4.31Å; Y265-R334 VanDerWaalsContact CD1-NE 3.25Å; Y265-R334 HydrophobicContact CD2-CG 4.38Å; Y265-R334 HydrophobicContact CE1-CG 3.88Å; Y265-R334 HydrophobicContact CE2-CG 3.99Å
266	L	74.8	Confident	83	Confident	29 Å²	29	34.6 Å²	34.6	15%	0.152	20%	0.197	C	C	.	.	S	Bend	trans	-81.5	-17.3	-178	-64.7	166.5	0	0	0	113	C292 H294 H301	L266-C292 HydrophobicContact CD1-CB 4.1Å; L266-H294 PolarHBondContact N-NE2 3.14Å; L266-H301 HydrophobicContact CB-CB 4.21Å; L266-H301 HydrophobicContact CD1-CB 4.19Å; L266-H301 WeakPolarHBondContact CD1-O 3.26Å
267	T	69.6	Low	82.9	Confident	57 Å²	57	34 Å²	34	35%	0.35	20%	0.195	S	C	.	.	S	Bend	trans	-145	146.1	179.8	57.4	0	0	0	0	110.7	Y265 R334	Y265-T267 VanDerWaalsContact C-N 3.34Å; T267-R334 PolarHBondContact O-NH1 2.73Å; T267-R334 PolarHBondContact O-NH2 2.96Å
268	G	66.6	Low	82.7	Confident	49 Å²	49	36.4 Å²	36.4	51%	0.505	20%	0.202	S	C	.	.	S	Bend	trans	83.9	-174.5	174.1	0	0	0	0	0	115.5	S271	G268-S271 WeakPolarHBondContact O-CB 3.34Å; G268-S271 PolarHBondContact O-N 2.82Å
269	I	64.9	Low	82.5	Confident	86 Å²	86	41.9 Å²	41.9	44%	0.441	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	137.8	-170.7	-56.9	170.3	0	0	0	112	S271	I269-S271 VanDerWaalsContact C-N 3.3Å
270	G	62.1	Low	82.3	Confident	11 Å²	11	42.5 Å²	42.5	11%	0.113	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	1.8	-178.7	0	0	0	0	0	114.6
271	S	69.4	Low	82.2	Confident	16 Å²	16	45 Å²	45	11%	0.112	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-48.3	173.8	172.1	0	0	0	0	111.8	Y265 G268 I269 R274 N275	Y265-S271 VanDerWaalsContact O-CB 3.24Å; Y265-S271 WeakPolarHBondContact O-CB 3.27Å; Y265-S271 PolarHBondContact O-OG 2.96Å; G268-S271 WeakPolarHBondContact O-CB 3.34Å; G268-S271 PolarHBondContact O-N 2.82Å; I269-S271 VanDerWaalsContact C-N 3.3Å; S271-R274 PolarHBondContact O-N 3.06Å; S271-N275 WeakPolarHBondContact O-CB 3.27Å; S271-N275 PolarHBondContact O-N 2.99Å
272	D	77.9	Confident	82.2	Confident	129 Å²	129	47.5 Å²	47.5	69%	0.69	26%	0.257	S	S	*	.	H	α-helix	trans	-65.8	-49.2	-167.2	-57.8	-31.6	0	0	0	113.1	R274 N275 A276	D272-R274 VanDerWaalsContact C-N 3.3Å; D272-R274 PolarHBondContact O-N 2.82Å; D272-N275 WeakPolarHBondContact O-CB 3.23Å; D272-N275 PolarHBondContact O-N 2.8Å; D272-N275 VanDerWaalsContact O-N 3.13Å; D272-A276 WeakPolarHBondContact O-CB 3.36Å; D272-A276 PolarHBondContact O-N 3.08Å
273	T	82.1	Confident	82.1	Confident	21 Å²	21	48.9 Å²	48.9	13%	0.129	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-43.1	177.6	-48.9	0	0	0	0	111.3	A276 L277 L354	T273-A276 PolarHBondContact O-N 3.48Å; T273-L277 WeakPolarHBondContact O-CG 3.39Å; T273-L354 HydrophobicContact CG2-CD2 3.5Å; T273-L354 HydrophobicContact CG2-CG 4.27Å
274	R	87.3	Confident	82.2	Confident	8 Å²	8	51.1 Å²	51.1	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-72.6	-32.9	178.1	-66.9	-166.5	-179.5	-165.9	-6.1	112.4	K263 Y265 S271 D272 A276 L277 R332	K263-R274 WeakPolarHBondContact O-CD 3.19Å; K263-R274 PolarHBondContact O-NH1 3.5Å; Y265-R274 VanDerWaalsContact CE2-NH1 3.34Å; Y265-R274 PolarHBondContact OH-NH1 2.99Å; S271-R274 PolarHBondContact O-N 3.06Å; D272-R274 VanDerWaalsContact C-N 3.3Å; D272-R274 PolarHBondContact O-N 2.82Å; R274-A276 VanDerWaalsContact C-N 3.28Å; R274-L277 PolarHBondContact O-N 3.32Å; R274-R332 PolarHBondContact NE-O 3.45Å; R274-R332 PolarHBondContact NH2-O 3.17Å
275	N	87.1	Confident	82.4	Confident	55 Å²	55	52.8 Å²	52.8	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-68	-30.6	176.5	-170.2	45.8	0	0	0	111.9	R264 S271 D272 Y278 R305	R264-N275 PolarHBondContact NH1-OD1 2.79Å; S271-N275 WeakPolarHBondContact O-CB 3.27Å; S271-N275 PolarHBondContact O-N 2.99Å; D272-N275 WeakPolarHBondContact O-CB 3.23Å; D272-N275 PolarHBondContact O-N 2.8Å; D272-N275 VanDerWaalsContact O-N 3.13Å; N275-Y278 WeakPolarHBondContact O-CD1 3.43Å; N275-Y278 VanDerWaalsContact O-CE1 3.26Å; N275-Y278 WeakPolarHBondContact O-CE1 3.39Å; N275-R305 PolarHBondContact O-NH2 2.84Å; N275-R305 PolarHBondContact OD1-NH2 3.41Å
276	A	88.5	Confident	83.2	Confident	28 Å²	28	51.2 Å²	51.2	23%	0.231	29%	0.286	C	S	.	.	H	α-helix	trans	-80.5	-14	178.7	0	0	0	0	0	114.4	D272 T273 R274 Y278 H279 L380	D272-A276 WeakPolarHBondContact O-CB 3.36Å; D272-A276 PolarHBondContact O-N 3.08Å; T273-A276 PolarHBondContact O-N 3.48Å; R274-A276 VanDerWaalsContact C-N 3.28Å; A276-Y278 PolarHBondContact O-N 3.29Å; A276-Y278 VanDerWaalsContact O-N 3.14Å; A276-H279 WeakPolarHBondContact O-CB 3.45Å; A276-H279 PolarHBondContact O-N 3.47Å; A276-L380 HydrophobicContact CB-CD2 3.54Å
277	L	90.9	Very high	84.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.1	-177.8	-63.6	-179.9	0	0	0	113.8	F260 T273 R274 H279 V280 H281 L288 T290 L329 L380	F260-L277 HydrophobicContact CD1-CD1 3.41Å; F260-L277 VanDerWaalsContact CD1-CD1 3.41Å; F260-L277 HydrophobicContact CE1-CD1 3.56Å; F260-L277 HydrophobicContact CG-CD1 4.12Å; F260-L277 HydrophobicContact CZ-CD1 4.39Å; T273-L277 WeakPolarHBondContact O-CG 3.39Å; R274-L277 PolarHBondContact O-N 3.32Å; L277-H279 PolarHBondContact O-N 3.28Å; L277-V280 PolarHBondContact O-N 2.79Å; L277-H281 PolarHBondContact O-N 3.29Å; L277-L288 HydrophobicContact CB-CB 4.23Å; L277-L288 HydrophobicContact CB-CD1 4.37Å; L277-L288 HydrophobicContact CD2-CD1 4.35Å; L277-T290 HydrophobicContact CD1-CG2 4.2Å; L277-L329 HydrophobicContact CD2-CD2 3.48Å; L277-L329 VanDerWaalsContact CD2-CD2 3.48Å; L277-L380 HydrophobicContact CD2-CD1 3.74Å; L277-L380 HydrophobicContact CD2-CD2 4.15Å
278	Y	89.1	Confident	85.4	Confident	101 Å²	101	47.4 Å²	47.4	40%	0.396	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.7	-25.6	177.2	84.4	-67.5	0	0	0	113.7	N275 A276 V280 R305	N275-Y278 WeakPolarHBondContact O-CD1 3.43Å; N275-Y278 VanDerWaalsContact O-CE1 3.26Å; N275-Y278 WeakPolarHBondContact O-CE1 3.39Å; A276-Y278 PolarHBondContact O-N 3.29Å; A276-Y278 VanDerWaalsContact O-N 3.14Å; Y278-V280 PolarHBondContact O-N 2.94Å; Y278-R305 VanDerWaalsContact CZ-NH1 3.31Å
279	H	90.6	Very high	86.7	Confident	116 Å²	116	45.3 Å²	45.3	54%	0.537	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-71.5	-22.4	176.1	-70.3	-63.4	0	0	0	112.6	A276 L277 L381	A276-H279 WeakPolarHBondContact O-CB 3.45Å; A276-H279 PolarHBondContact O-N 3.47Å; L277-H279 PolarHBondContact O-N 3.28Å; H279-L381 HydrophobicContact CB-CD2 4.04Å
280	V	92.6	Very high	88	Confident	16 Å²	16	41.5 Å²	41.5	10%	0.097	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-21.2	-177.5	-178.4	0	0	0	0	111.2	L277 Y278 N282 V286 L288 L380 L381 P384	L277-V280 PolarHBondContact O-N 2.79Å; Y278-V280 PolarHBondContact O-N 2.94Å; V280-N282 PolarHBondContact O-N 3.23Å; V280-V286 HydrophobicContact CG1-CG1 4.16Å; V280-V286 WeakPolarHBondContact O-CG1 3.39Å; V280-L288 HydrophobicContact CB-CD1 3.64Å; V280-L288 HydrophobicContact CG1-CD1 3.6Å; V280-L380 HydrophobicContact CG2-CD1 4.29Å; V280-L380 HydrophobicContact CG2-CG 4.03Å; V280-L381 HydrophobicContact CG2-CD2 3.72Å; V280-P384 HydrophobicContact CG1-CG 3.35Å
281	H	93.1	Very high	89.4	Confident	57 Å²	57	41.3 Å²	41.3	26%	0.264	22%	0.218	S	C	.	.			trans	-68.4	126	177.9	177.5	52.8	0	0	0	112.1	L277 G283 V286 L288	L277-H281 PolarHBondContact O-N 3.29Å; H281-G283 VanDerWaalsContact CE1-CA 3.45Å; H281-G283 WeakPolarHBondContact CE1-CA 3.23Å; H281-G283 PolarHBondContact CE1-N 3.28Å; H281-G283 VanDerWaalsContact CE1-N 3.33Å; H281-G283 PolarHBondContact ND1-N 3.33Å; H281-V286 PolarHBondContact ND1-O 3.1Å; H281-L288 HydrophobicContact CB-CB 4.27Å; H281-L288 PolarHBondContact ND1-N 2.84Å
282	N	93.1	Very high	90.2	Very high	68 Å²	68	40.6 Å²	40.6	36%	0.364	21%	0.213	S	C	.	.			trans	-112.8	-7.7	176.6	70.2	-3.2	0	0	0	114.6	V280 E284 D285 V286	V280-N282 PolarHBondContact O-N 3.23Å; N282-E284 PolarHBondContact O-N 3.34Å; N282-E284 PolarHBondContact OD1-N 3.37Å; N282-D285 PolarHBondContact ND2-OD1 3.22Å; N282-D285 PolarHBondContact OD1-N 3.34Å; N282-V286 PolarHBondContact N-O 2.94Å; N282-V286 VanDerWaalsContact N-O 3.13Å; N282-V286 WeakPolarHBondContact OD1-CA 3.46Å; N282-V286 WeakPolarHBondContact OD1-CB 3.23Å; N282-V286 PolarHBondContact OD1-N 3.34Å; N282-V286 PolarHBondContact OD1-O 3.27Å; N282-V286 VanDerWaalsContact OD1-O 3.05Å
283	G	89.8	Confident	90.6	Very high	36 Å²	36	38.6 Å²	38.6	37%	0.371	20%	0.198	S	C	.	.	S	Bend	trans	77.5	-2.8	-180	0	0	0	0	0	115.5	H281	H281-G283 VanDerWaalsContact CE1-CA 3.45Å; H281-G283 WeakPolarHBondContact CE1-CA 3.23Å; H281-G283 PolarHBondContact CE1-N 3.28Å; H281-G283 VanDerWaalsContact CE1-N 3.33Å; H281-G283 PolarHBondContact ND1-N 3.33Å
284	E	90.6	Very high	90.5	Very high	150 Å²	150	39.1 Å²	39.1	70%	0.701	20%	0.199	S	C	*	.	S	Bend	trans	-107.4	-91.4	-176.8	-63.6	-178.8	170.2	0	0	110.7	N282	N282-E284 PolarHBondContact O-N 3.34Å; N282-E284 PolarHBondContact OD1-N 3.37Å
285	D	91.7	Very high	89.8	Confident	40 Å²	40	41.9 Å²	41.9	21%	0.214	23%	0.23	C	C	.	.	S	Bend	trans	-96.6	-16.6	179.5	68.6	-32.6	0	0	0	113.3	M257 L258 N282 R388	M257-D285 HydrophobicContact CB-CB 4.06Å; M257-D285 PolarHBondContact N-O 3.45Å; L258-D285 PolarHBondContact N-O 3.09Å; L258-D285 VanDerWaalsContact N-O 3.16Å; N282-D285 PolarHBondContact ND2-OD1 3.22Å; N282-D285 PolarHBondContact OD1-N 3.34Å; D285-R388 VanDerWaalsContact CG-NH2 3.32Å; D285-R388 IonicContact OD1-NH2 3.61Å; D285-R388 PolarHBondContact OD1-NH2 2.76Å; D285-R388 IonicContact OD2-CZ 2.97Å; D285-R388 IonicContact OD2-NE 3.05Å; D285-R388 PolarHBondContact OD2-NE 2.98Å; D285-R388 IonicContact OD2-NH2 3.9Å; D285-R388 PolarHBondContact OD2-NH2 3.48Å
286	V	95.7	Very high	89.1	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	96.9	177.2	-177.5	0	0	0	0	110.3	L258 V280 H281 N282 L288	L258-V286 HydrophobicContact CB-CG1 4.34Å; L258-V286 HydrophobicContact CB-CG2 4.35Å; L258-V286 HydrophobicContact CD2-CG1 4.2Å; L258-V286 WeakPolarHBondContact O-CA 3.43Å; V280-V286 HydrophobicContact CG1-CG1 4.16Å; V280-V286 WeakPolarHBondContact O-CG1 3.39Å; H281-V286 PolarHBondContact ND1-O 3.1Å; N282-V286 PolarHBondContact N-O 2.94Å; N282-V286 VanDerWaalsContact N-O 3.13Å; N282-V286 WeakPolarHBondContact OD1-CA 3.46Å; N282-V286 WeakPolarHBondContact OD1-CB 3.23Å; N282-V286 PolarHBondContact OD1-N 3.34Å; N282-V286 PolarHBondContact OD1-O 3.27Å; N282-V286 VanDerWaalsContact OD1-O 3.05Å; V286-L288 HydrophobicContact CG1-CD1 4.13Å; V286-L288 HydrophobicContact CG1-CD2 4.41Å; V286-L288 HydrophobicContact CG1-CG 3.99Å
287	V	95.4	Very high	88.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	97	-172.7	-178.7	0	0	0	0	110.5	Y256 L258 V259 F260 L289 Y316 M321	Y256-V287 HydrophobicContact CD1-CB 4.46Å; Y256-V287 HydrophobicContact CD1-CG2 3.64Å; Y256-V287 HydrophobicContact CE1-CG2 3.71Å; L258-V287 PolarHBondContact O-N 2.87Å; V259-V287 CarbonylContact C-O 3.52Å; V259-V287 WeakPolarHBondContact CA-O 3.18Å; V259-V287 HydrophobicContact CG1-CB 4.16Å; F260-V287 PolarHBondContact N-O 3.32Å; V287-L289 HydrophobicContact CG1-CD1 3.74Å; V287-L289 HydrophobicContact CG1-CD2 4.11Å; V287-L289 HydrophobicContact CG1-CG 3.7Å; V287-Y316 HydrophobicContact CG1-CD1 4.44Å; V287-Y316 HydrophobicContact CG1-CE1 4.16Å; V287-M321 HydrophobicContact CG1-SD 4.1Å
288	L	95	Very high	88.1	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	90.9	-177	-50.4	178.7	0	0	0	110.1	L258 F260 L277 V280 H281 V286 L329	L258-L288 HydrophobicContact CD2-CD2 4.45Å; L258-L288 HydrophobicContact CG-CD2 4.24Å; F260-L288 HydrophobicContact CB-CB 4.34Å; F260-L288 HydrophobicContact CB-CD2 3.64Å; F260-L288 CarbonylContact O-C 3.58Å; L277-L288 HydrophobicContact CB-CB 4.23Å; L277-L288 HydrophobicContact CB-CD1 4.37Å; L277-L288 HydrophobicContact CD2-CD1 4.35Å; V280-L288 HydrophobicContact CB-CD1 3.64Å; V280-L288 HydrophobicContact CG1-CD1 3.6Å; H281-L288 HydrophobicContact CB-CB 4.27Å; H281-L288 PolarHBondContact ND1-N 2.84Å; V286-L288 HydrophobicContact CG1-CD1 4.13Å; V286-L288 HydrophobicContact CG1-CD2 4.41Å; V286-L288 HydrophobicContact CG1-CG 3.99Å; L288-L329 HydrophobicContact CD2-CD2 4.29Å
289	L	93.8	Very high	87.9	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.4	-172.2	-57.3	172.1	0	0	0	110.9	F260 K261 G262 V287 E312 Y313 Y316 M321	F260-L289 PolarHBondContact O-N 3.43Å; K261-L289 VanDerWaalsContact CA-O 3.32Å; K261-L289 WeakPolarHBondContact CA-O 3.15Å; K261-L289 HydrophobicContact CB-CB 4.47Å; K261-L289 HydrophobicContact CG-CB 4.45Å; G262-L289 PolarHBondContact N-O 3.17Å; G262-L289 VanDerWaalsContact N-O 3.16Å; V287-L289 HydrophobicContact CG1-CD1 3.74Å; V287-L289 HydrophobicContact CG1-CD2 4.11Å; V287-L289 HydrophobicContact CG1-CG 3.7Å; L289-E312 HydrophobicContact CD2-CB 4.23Å; L289-Y313 HydrophobicContact CB-CD2 4.21Å; L289-Y316 HydrophobicContact CD1-CD1 4.36Å; L289-Y316 HydrophobicContact CD1-CD2 3.33Å; L289-Y316 HydrophobicContact CD1-CE2 3.98Å; L289-Y316 HydrophobicContact CD1-CG 3.56Å; L289-Y316 HydrophobicContact CD2-CD2 4.44Å; L289-Y316 HydrophobicContact CD2-CE2 4.4Å; L289-M321 HydrophobicContact CD1-SD 4.29Å
290	T	92.7	Very high	87.5	Confident	7 Å²	7	57.6 Å²	57.6	4%	0.043	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.4	177.4	73.8	0	0	0	0	112.3	F260 G262 R264 L277 D309	F260-T290 HydrophobicContact CD1-CG2 4.34Å; F260-T290 HydrophobicContact CE1-CG2 4.11Å; G262-T290 CarbonylContact O-C 3.31Å; G262-T290 WeakPolarHBondContact O-CA 3.34Å; R264-T290 HydrophobicContact CB-CG2 4.48Å; L277-T290 HydrophobicContact CD1-CG2 4.2Å; T290-D309 CarbonylContact O-C 3.51Å
291	T	90.6	Very high	87	Confident	7 Å²	7	61.7 Å²	61.7	4%	0.043	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.8	172.8	178.5	0	0	0	0	111.3	G262 K263 R264 K293 N310 Y313	G262-T291 PolarHBondContact O-N 3.14Å; K263-T291 CarbonylContact C-O 3.59Å; K263-T291 WeakPolarHBondContact CA-O 3.21Å; K263-T291 HydrophobicContact CG-CG2 4.1Å; R264-T291 PolarHBondContact N-O 2.89Å; T291-K293 VanDerWaalsContact C-N 3.33Å; T291-K293 WeakPolarHBondContact OG1-CB 3.33Å; T291-K293 PolarHBondContact OG1-N 3.23Å; T291-K293 VanDerWaalsContact OG1-N 3.14Å; T291-N310 PolarHBondContact OG1-OD1 3.38Å; T291-Y313 HydrophobicContact CG2-CD1 4.35Å; T291-Y313 HydrophobicContact CG2-CD2 4.02Å; T291-Y313 HydrophobicContact CG2-CE1 3.99Å; T291-Y313 HydrophobicContact CG2-CE2 3.6Å; T291-Y313 HydrophobicContact CG2-CG 4.37Å
292	C	87.4	Confident	86.6	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.319	C	S	.	.			trans	-82.8	-9.3	172.8	-63	0	0	0	0	113.5	R264 L266 H294 W298 C306 N310	R264-C292 PolarHBondContact NH2-SG 3.41Å; L266-C292 HydrophobicContact CD1-CB 4.1Å; C292-H294 PolarHBondContact O-CD2 2.53Å; C292-H294 PolarHBondContact O-N 3.15Å; C292-W298 HydrophobicContact CB-CE3 4.32Å; C292-W298 VanDerWaalsContact O-CB 3.3Å; C292-W298 WeakPolarHBondContact O-CB 3.47Å; C292-C306 HydrophobicContact CB-CB 3.72Å; C292-C306 WeakPolarHBondContact CB-SG 3.28Å; C292-C306 WeakPolarHBondContact SG-CA 3.34Å; C292-C306 WeakPolarHBondContact SG-CB 3.32Å; C292-C306 CovalentContact SG-SG 2.05Å; C292-C306 PolarHBondContact SG-SG 3.44Å; C292-N310 PolarHBondContact N-OD1 3.24Å
293	K	86.1	Confident	86.4	Confident	88 Å²	88	62.6 Å²	62.6	38%	0.383	32%	0.316	S	S	.	.			trans	-69.9	90.4	-175.8	-63.9	172	-175.6	166.6	0	109.8	T291 W298 D314	T291-K293 VanDerWaalsContact C-N 3.33Å; T291-K293 WeakPolarHBondContact OG1-CB 3.33Å; T291-K293 PolarHBondContact OG1-N 3.23Å; T291-K293 VanDerWaalsContact OG1-N 3.14Å; K293-W298 HydrophobicContact CG-CH2 4.03Å; K293-W298 HydrophobicContact CG-CZ2 3.94Å; K293-W298 HydrophobicContact CG-CZ3 4.4Å; K293-D314 IonicContact NZ-OD1 2.66Å; K293-D314 IonicContact NZ-OD2 2.65Å; K293-D314 PolarHBondContact NZ-OD2 3.06Å
294	H	79.6	Confident	86.3	Confident	32 Å²	32	66 Å²	66	15%	0.148	34%	0.34	C	S	.	.			trans	-146.1	130.5	179.8	75	72.6	0	0	0	115.1	K263 R264 L266 C292 W298	K263-H294 HydrophobicContact CD-CB 4.03Å; R264-H294 PolarHBondContact O-CD2 2.98Å; R264-H294 PolarHBondContact O-NE2 3.41Å; L266-H294 PolarHBondContact N-NE2 3.14Å; C292-H294 PolarHBondContact O-CD2 2.53Å; C292-H294 PolarHBondContact O-N 3.15Å; H294-W298 VanDerWaalsContact O-CB 3.3Å; H294-W298 WeakPolarHBondContact O-CB 3.23Å
295	G	72.4	Confident	86.2	Confident	65 Å²	65	61.1 Å²	61.1	67%	0.67	32%	0.315	S	S	*	.	S	Bend	trans	67.7	-172.6	-178.1	0	0	0	0	0	112.6
296	K	73.2	Confident	86.1	Confident	200 Å²	200	59.2 Å²	59.2	87%	0.87	31%	0.305	S	S	*	.	S	Bend	trans	-83.9	-27	-177	-64.9	-177.9	-179.4	178.7	0	112.9
297	D	77.4	Confident	85.9	Confident	78 Å²	78	63.6 Å²	63.6	42%	0.417	33%	0.329	S	S	.	.			trans	-104.4	10.1	-170.8	-63.5	-63.5	0	0	0	114.9	Q299 K300	D297-Q299 PolarHBondContact O-N 3.13Å; D297-Q299 VanDerWaalsContact O-N 3.1Å; D297-K300 HydrophobicContact CB-CD 4.15Å; D297-K300 WeakPolarHBondContact O-CB 3.38Å; D297-K300 PolarHBondContact O-N 3.45Å; D297-K300 VanDerWaalsContact OD1-CE 3.3Å; D297-K300 WeakPolarHBondContact OD1-CE 3.36Å; D297-K300 IonicContact OD1-NZ 2.68Å; D297-K300 PolarHBondContact OD1-NZ 3.33Å
298	W	80.3	Confident	85.7	Confident	51 Å²	51	70.6 Å²	70.6	19%	0.193	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.7	-177.6	67.2	-81.6	0	0	0	113.8	C292 K293 H294 K300 H301 K302	C292-W298 HydrophobicContact CB-CE3 4.32Å; C292-W298 VanDerWaalsContact O-CB 3.3Å; C292-W298 WeakPolarHBondContact O-CB 3.47Å; K293-W298 HydrophobicContact CG-CH2 4.03Å; K293-W298 HydrophobicContact CG-CZ2 3.94Å; K293-W298 HydrophobicContact CG-CZ3 4.4Å; H294-W298 VanDerWaalsContact O-CB 3.3Å; H294-W298 WeakPolarHBondContact O-CB 3.23Å; W298-K300 PolarHBondContact O-N 3.38Å; W298-H301 PolarHBondContact O-N 2.66Å; W298-K302 PolarHBondContact O-N 3.06Å; W298-K302 VanDerWaalsContact O-N 3.12Å
299	Q	84.4	Confident	85.5	Confident	140 Å²	140	71.3 Å²	71.3	65%	0.654	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.5	176.8	-68.4	-178.8	-20.9	0	0	112	D297 H301 K302	D297-Q299 PolarHBondContact O-N 3.13Å; D297-Q299 VanDerWaalsContact O-N 3.1Å; Q299-H301 VanDerWaalsContact C-N 3.34Å; Q299-K302 WeakPolarHBondContact O-CB 3.48Å
300	K	83.6	Confident	85.4	Confident	162 Å²	162	71.5 Å²	71.5	70%	0.704	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-28.6	178.9	-62	178.6	-179.9	161.7	0	112.5	D297 W298	D297-K300 HydrophobicContact CB-CD 4.15Å; D297-K300 WeakPolarHBondContact O-CB 3.38Å; D297-K300 PolarHBondContact O-N 3.45Å; D297-K300 VanDerWaalsContact OD1-CE 3.3Å; D297-K300 WeakPolarHBondContact OD1-CE 3.36Å; D297-K300 IonicContact OD1-NZ 2.68Å; D297-K300 PolarHBondContact OD1-NZ 3.33Å; W298-K300 PolarHBondContact O-N 3.38Å
301	H	80.3	Confident	85.3	Confident	101 Å²	101	73.8 Å²	73.8	47%	0.468	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	7.6	-179	-61.8	-70.2	0	0	0	113.1	L266 W298 Q299 D303	L266-H301 HydrophobicContact CB-CB 4.21Å; L266-H301 HydrophobicContact CD1-CB 4.19Å; L266-H301 WeakPolarHBondContact CD1-O 3.26Å; W298-H301 PolarHBondContact O-N 2.66Å; Q299-H301 VanDerWaalsContact C-N 3.34Å; H301-D303 PolarHBondContact O-N 2.93Å
302	K	86.6	Confident	85.3	Confident	89 Å²	89	76.1 Å²	76.1	39%	0.387	39%	0.394	S	S	.	.			trans	-59.7	126.2	-175.2	-179.5	-174.9	163.4	-175.6	0	110.9	W298 Q299 C306 D307	W298-K302 PolarHBondContact O-N 3.06Å; W298-K302 VanDerWaalsContact O-N 3.12Å; Q299-K302 WeakPolarHBondContact O-CB 3.48Å; K302-C306 HydrophobicContact CG-CB 3.7Å; K302-D307 WeakPolarHBondContact CE-OD1 3.27Å; K302-D307 VanDerWaalsContact CE-OD2 3.22Å; K302-D307 WeakPolarHBondContact CE-OD2 3.3Å; K302-D307 IonicContact NZ-OD1 2.84Å; K302-D307 PolarHBondContact NZ-OD1 3.09Å; K302-D307 IonicContact NZ-OD2 3.36Å; K302-D307 PolarHBondContact NZ-OD2 3.3Å
303	D	87.3	Confident	85.6	Confident	56 Å²	56	78.3 Å²	78.3	30%	0.299	40%	0.403	S	S	.	.			trans	-92.5	175.2	171.5	71.2	21.1	0	0	0	112.4	R264 H301 R305 C306	R264-D303 IonicContact CZ-OD1 2.83Å; R264-D303 IonicContact CZ-OD2 3.55Å; R264-D303 VanDerWaalsContact CZ-OD2 3.25Å; R264-D303 IonicContact NH1-OD1 3.05Å; R264-D303 IonicContact NH1-OD2 3.47Å; R264-D303 PolarHBondContact NH1-OD2 3.13Å; R264-D303 VanDerWaalsContact NH2-CG 3.33Å; R264-D303 IonicContact NH2-OD1 2.66Å; R264-D303 PolarHBondContact NH2-OD1 2.97Å; R264-D303 IonicContact NH2-OD2 2.76Å; R264-D303 PolarHBondContact NH2-OD2 3.41Å; H301-D303 PolarHBondContact O-N 2.93Å; D303-R305 PolarHBondContact O-N 3.15Å; D303-R305 WeakPolarHBondContact OD1-CA 3.26Å; D303-R305 PolarHBondContact OD1-N 3.29Å; D303-C306 PolarHBondContact O-N 3.42Å; D303-C306 PolarHBondContact OD1-N 3.27Å; D303-C306 PolarHBondContact OD1-SG 2.94Å
304	A	88.3	Confident	85.9	Confident	107 Å²	107	78.9 Å²	78.9	88%	0.884	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20	-179.4	0	0	0	0	0	114
305	R	89.4	Confident	86.4	Confident	47 Å²	47	83.8 Å²	83.8	18%	0.177	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-23.3	-177.6	-163.7	178	67.7	-155.3	1.9	112.7	R264 N275 Y278 D303 D307 K308 D309	R264-R305 VanDerWaalsContact NE-NH2 3.16Å; N275-R305 PolarHBondContact O-NH2 2.84Å; N275-R305 PolarHBondContact OD1-NH2 3.41Å; Y278-R305 VanDerWaalsContact CZ-NH1 3.31Å; D303-R305 PolarHBondContact O-N 3.15Å; D303-R305 WeakPolarHBondContact OD1-CA 3.26Å; D303-R305 PolarHBondContact OD1-N 3.29Å; R305-D307 VanDerWaalsContact C-N 3.27Å; R305-D307 PolarHBondContact O-N 3Å; R305-D307 VanDerWaalsContact O-N 3.12Å; R305-K308 PolarHBondContact O-N 3.32Å; R305-D309 WeakPolarHBondContact CG-OD1 3.46Å; R305-D309 IonicContact CZ-OD2 3.99Å; R305-D309 IonicContact NE-OD1 3.67Å; R305-D309 PolarHBondContact NE-OD1 3.4Å; R305-D309 IonicContact NE-OD2 2.7Å; R305-D309 PolarHBondContact NE-OD2 2.87Å; R305-D309 IonicContact NH2-OD2 3.15Å; R305-D309 PolarHBondContact O-N 3.09Å
306	C	88.9	Confident	87.3	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-54.1	-35.6	-173.3	-78.6	0	0	0	0	115.3	R264 C292 K302 D303 N310	R264-C306 PolarHBondContact NH2-SG 2.82Å; R264-C306 VanDerWaalsContact NH2-SG 3.44Å; C292-C306 HydrophobicContact CB-CB 3.72Å; C292-C306 WeakPolarHBondContact CB-SG 3.28Å; C292-C306 WeakPolarHBondContact SG-CA 3.34Å; C292-C306 WeakPolarHBondContact SG-CB 3.32Å; C292-C306 CovalentContact SG-SG 2.05Å; C292-C306 PolarHBondContact SG-SG 3.44Å; K302-C306 HydrophobicContact CG-CB 3.7Å; D303-C306 PolarHBondContact O-N 3.42Å; D303-C306 PolarHBondContact OD1-N 3.27Å; D303-C306 PolarHBondContact OD1-SG 2.94Å; C306-N310 VanDerWaalsContact O-CB 3.31Å; C306-N310 WeakPolarHBondContact O-CB 3.17Å; C306-N310 PolarHBondContact O-N 2.95Å; C306-N310 PolarHBondContact O-ND2 2.91Å
307	D	90.8	Very high	88.2	Confident	94 Å²	94	78.2 Å²	78.2	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-67.1	-43	178	-70.5	-30	0	0	0	111.8	K302 R305 A311	K302-D307 WeakPolarHBondContact CE-OD1 3.27Å; K302-D307 VanDerWaalsContact CE-OD2 3.22Å; K302-D307 WeakPolarHBondContact CE-OD2 3.3Å; K302-D307 IonicContact NZ-OD1 2.84Å; K302-D307 PolarHBondContact NZ-OD1 3.09Å; K302-D307 IonicContact NZ-OD2 3.36Å; K302-D307 PolarHBondContact NZ-OD2 3.3Å; R305-D307 VanDerWaalsContact C-N 3.27Å; R305-D307 PolarHBondContact O-N 3Å; R305-D307 VanDerWaalsContact O-N 3.12Å; D307-A311 WeakPolarHBondContact O-CB 3.37Å; D307-A311 PolarHBondContact O-N 2.89Å
308	K	90.9	Very high	88.8	Confident	148 Å²	148	76.6 Å²	76.6	64%	0.643	38%	0.38	S	S	*	.	H	α-helix	trans	-66.5	-45.7	176.1	-171.9	178.1	179.7	-179.3	0	111.3	R305 N310 A311 E312	R305-K308 PolarHBondContact O-N 3.32Å; K308-N310 VanDerWaalsContact C-N 3.32Å; K308-N310 PolarHBondContact O-N 3.06Å; K308-A311 PolarHBondContact O-N 3.1Å; K308-E312 PolarHBondContact O-N 2.81Å
309	D	90.7	Very high	89.2	Confident	20 Å²	20	81.1 Å²	81.1	11%	0.107	40%	0.401	C	S	.	.	H	α-helix	trans	-56.7	-46.6	177.2	-75.4	-13.5	0	0	0	110.8	R264 T290 R305 E312 Y313	R264-D309 IonicContact CZ-OD2 2.69Å; R264-D309 IonicContact NE-OD2 3.85Å; R264-D309 PolarHBondContact NE-OD2 2.93Å; R264-D309 IonicContact NH2-OD2 3.26Å; R264-D309 PolarHBondContact NH2-OD2 3.11Å; T290-D309 CarbonylContact O-C 3.51Å; R305-D309 WeakPolarHBondContact CG-OD1 3.46Å; R305-D309 IonicContact CZ-OD2 3.99Å; R305-D309 IonicContact NE-OD1 3.67Å; R305-D309 PolarHBondContact NE-OD1 3.4Å; R305-D309 IonicContact NE-OD2 2.7Å; R305-D309 PolarHBondContact NE-OD2 2.87Å; R305-D309 IonicContact NH2-OD2 3.15Å; R305-D309 PolarHBondContact O-N 3.09Å; D309-E312 PolarHBondContact O-N 3.24Å; D309-Y313 WeakPolarHBondContact O-CB 3.21Å; D309-Y313 PolarHBondContact O-N 3.05Å
310	N	92	Very high	89.4	Confident	10 Å²	10	80 Å²	80	5%	0.053	40%	0.395	C	S	.	.	H	α-helix	trans	-67	-41.1	178.9	-71.4	-32.9	0	0	0	112.6	T291 C292 C306 K308 Y313 D314	T291-N310 PolarHBondContact OG1-OD1 3.38Å; C292-N310 PolarHBondContact N-OD1 3.24Å; C306-N310 VanDerWaalsContact O-CB 3.31Å; C306-N310 WeakPolarHBondContact O-CB 3.17Å; C306-N310 PolarHBondContact O-N 2.95Å; C306-N310 PolarHBondContact O-ND2 2.91Å; K308-N310 VanDerWaalsContact C-N 3.32Å; K308-N310 PolarHBondContact O-N 3.06Å; N310-Y313 PolarHBondContact O-N 3.5Å; N310-D314 WeakPolarHBondContact O-CB 3.48Å; N310-D314 VanDerWaalsContact O-CG 3.27Å; N310-D314 PolarHBondContact O-N 3.25Å
311	A	92	Very high	89.7	Confident	55 Å²	55	72.4 Å²	72.4	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-42	177.7	0	0	0	0	0	111.9	D307 K308 K315	D307-A311 WeakPolarHBondContact O-CB 3.37Å; D307-A311 PolarHBondContact O-N 2.89Å; K308-A311 PolarHBondContact O-N 3.1Å; A311-K315 WeakPolarHBondContact O-CG 3.28Å
312	E	90.3	Very high	90.1	Very high	56 Å²	56	68.2 Å²	68.2	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-68.7	-40.9	173.9	-68.2	-56.9	147.8	0	0	112	L289 K308 D309 D314 K315	L289-E312 HydrophobicContact CD2-CB 4.23Å; K308-E312 PolarHBondContact O-N 2.81Å; D309-E312 PolarHBondContact O-N 3.24Å; E312-D314 VanDerWaalsContact C-N 3.29Å; E312-D314 PolarHBondContact O-N 2.93Å; E312-K315 PolarHBondContact O-N 2.81Å; E312-K315 IonicContact OE1-NZ 2.73Å; E312-K315 PolarHBondContact OE1-NZ 2.86Å; E312-K315 WeakPolarHBondContact OE2-CD 3.41Å; E312-K315 WeakPolarHBondContact OE2-CE 3.4Å; E312-K315 IonicContact OE2-NZ 3.61Å; E312-K315 PolarHBondContact OE2-NZ 3.19Å
313	Y	92.5	Very high	90.1	Very high	46 Å²	46	66.3 Å²	66.3	18%	0.18	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-41	178.8	-173.2	-86.8	0	0	0	112.4	K261 L289 T291 D309 N310 K315	K261-Y313 HydrophobicContact CB-CE2 4.5Å; K261-Y313 HydrophobicContact CD-CD2 4.45Å; K261-Y313 HydrophobicContact CD-CE2 4.09Å; K261-Y313 HydrophobicContact CG-CD2 3.91Å; K261-Y313 HydrophobicContact CG-CE2 3.31Å; K261-Y313 PolarHBondContact NZ-O 3.01Å; L289-Y313 HydrophobicContact CB-CD2 4.21Å; T291-Y313 HydrophobicContact CG2-CD1 4.35Å; T291-Y313 HydrophobicContact CG2-CD2 4.02Å; T291-Y313 HydrophobicContact CG2-CE1 3.99Å; T291-Y313 HydrophobicContact CG2-CE2 3.6Å; T291-Y313 HydrophobicContact CG2-CG 4.37Å; D309-Y313 WeakPolarHBondContact O-CB 3.21Å; D309-Y313 PolarHBondContact O-N 3.05Å; N310-Y313 PolarHBondContact O-N 3.5Å; Y313-K315 VanDerWaalsContact C-N 3.26Å; Y313-K315 PolarHBondContact O-N 3.36Å
314	D	92.3	Very high	90.2	Very high	100 Å²	100	66.6 Å²	66.6	54%	0.535	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.5	-175.5	-68.7	-21.1	0	0	0	112.8	K293 N310 E312	K293-D314 IonicContact NZ-OD1 2.66Å; K293-D314 IonicContact NZ-OD2 2.65Å; K293-D314 PolarHBondContact NZ-OD2 3.06Å; N310-D314 WeakPolarHBondContact O-CB 3.48Å; N310-D314 VanDerWaalsContact O-CG 3.27Å; N310-D314 PolarHBondContact O-N 3.25Å; E312-D314 VanDerWaalsContact C-N 3.29Å; E312-D314 PolarHBondContact O-N 2.93Å
315	K	91.7	Very high	90.4	Very high	134 Å²	134	61.5 Å²	61.5	58%	0.583	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-22.5	178.9	-69.7	176.6	-169.3	171	0	115.4	A311 E312 Y313	A311-K315 WeakPolarHBondContact O-CG 3.28Å; E312-K315 PolarHBondContact O-N 2.81Å; E312-K315 IonicContact OE1-NZ 2.73Å; E312-K315 PolarHBondContact OE1-NZ 2.86Å; E312-K315 WeakPolarHBondContact OE2-CD 3.41Å; E312-K315 WeakPolarHBondContact OE2-CE 3.4Å; E312-K315 IonicContact OE2-NZ 3.61Å; E312-K315 PolarHBondContact OE2-NZ 3.19Å; Y313-K315 VanDerWaalsContact C-N 3.26Å; Y313-K315 PolarHBondContact O-N 3.36Å
316	Y	90.3	Very high	90.5	Very high	58 Å²	58	59.9 Å²	59.9	23%	0.227	29%	0.29	C	S	.	.	S	Bend	trans	-112.5	136.7	-170	-68.6	-100.1	0	0	0	111.2	K261 V287 L289	K261-Y316 PolarHBondContact NZ-O 2.74Å; V287-Y316 HydrophobicContact CG1-CD1 4.44Å; V287-Y316 HydrophobicContact CG1-CE1 4.16Å; L289-Y316 HydrophobicContact CD1-CD1 4.36Å; L289-Y316 HydrophobicContact CD1-CD2 3.33Å; L289-Y316 HydrophobicContact CD1-CE2 3.98Å; L289-Y316 HydrophobicContact CD1-CG 3.56Å; L289-Y316 HydrophobicContact CD2-CD2 4.44Å; L289-Y316 HydrophobicContact CD2-CE2 4.4Å
317	D	92.6	Very high	90.9	Very high	90 Å²	90	59.9 Å²	59.9	48%	0.481	29%	0.29	S	S	.	.			trans	-75.2	138.9	167.3	179.8	-102.4	0	0	0	111.1	K319 E320 M321	D317-K319 WeakPolarHBondContact OD1-CA 3.4Å; D317-K319 PolarHBondContact OD1-N 3.18Å; D317-E320 HydrophobicContact CB-CB 3.96Å; D317-E320 PolarHBondContact OD1-N 3.14Å; D317-M321 WeakPolarHBondContact O-CB 3.38Å; D317-M321 PolarHBondContact O-N 3.03Å
318	Y	90.6	Very high	91.1	Very high	45 Å²	45	55.7 Å²	55.7	18%	0.176	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-46	-177	175.6	-109.6	0	0	0	112.5	K261 L322 R340 E343	K261-Y318 HydrophobicContact CB-CD2 3.98Å; K261-Y318 HydrophobicContact CB-CE2 4.4Å; K261-Y318 HydrophobicContact CD-CD2 4.19Å; K261-Y318 HydrophobicContact CG-CD2 4.16Å; Y318-L322 HydrophobicContact CD2-CD1 3.79Å; Y318-L322 HydrophobicContact CE1-CD1 4.33Å; Y318-L322 HydrophobicContact CE1-CD2 4.2Å; Y318-L322 HydrophobicContact CE2-CD1 3.18Å; Y318-L322 HydrophobicContact CE2-CD2 4.25Å; Y318-L322 HydrophobicContact CE2-CG 4.33Å; Y318-L322 VanDerWaalsContact CZ-CD1 3.47Å; Y318-L322 WeakPolarHBondContact O-CD1 3.41Å; Y318-L322 PolarHBondContact O-N 3.05Å; Y318-L322 VanDerWaalsContact O-N 3.16Å; Y318-L322 WeakPolarHBondContact OH-CD2 2.99Å; Y318-R340 VanDerWaalsContact CE2-CZ 3.45Å; Y318-R340 PolarHBondContact OH-NE 2.76Å; Y318-R340 PolarHBondContact OH-NH1 3.08Å; Y318-R340 PolarHBondContact OH-NH2 2.9Å; Y318-E343 PolarHBondContact OH-OE2 2.98Å
319	K	88.3	Confident	91.3	Very high	146 Å²	146	48.8 Å²	48.8	64%	0.635	24%	0.239	S	C	*	.	H	α-helix	trans	-71.2	-46.1	-175.7	-69.2	-174.8	176.1	-174.3	0	110.5	D317 M321 L322 H323	D317-K319 WeakPolarHBondContact OD1-CA 3.4Å; D317-K319 PolarHBondContact OD1-N 3.18Å; K319-M321 VanDerWaalsContact C-N 3.28Å; K319-M321 PolarHBondContact O-N 3.13Å; K319-L322 PolarHBondContact O-N 2.88Å; K319-H323 PolarHBondContact O-CD2 3.39Å; K319-H323 PolarHBondContact O-N 2.87Å
320	E	88.1	Confident	91.6	Very high	115 Å²	115	48 Å²	48	54%	0.537	23%	0.234	S	C	.	.	H	α-helix	trans	-56.7	-45.1	177	-169.2	-171.2	158.6	0	0	111.2	D317 L322 H323 N324	D317-E320 HydrophobicContact CB-CB 3.96Å; D317-E320 PolarHBondContact OD1-N 3.14Å; E320-L322 PolarHBondContact O-N 2.95Å; E320-H323 PolarHBondContact O-N 3Å; E320-N324 WeakPolarHBondContact O-CB 3.27Å; E320-N324 PolarHBondContact O-N 2.93Å
321	M	90.1	Very high	91.6	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-47.8	178.3	-168.7	-172.4	72.1	0	0	111.4	Y256 V259 K261 V287 L289 D317 K319 H323 N324 S325	Y256-M321 HydrophobicContact CD2-CG 4.27Å; Y256-M321 HydrophobicContact CE2-CG 4.19Å; V259-M321 HydrophobicContact CB-CE 3.85Å; V259-M321 HydrophobicContact CB-CG 4.04Å; V259-M321 HydrophobicContact CB-SD 4.01Å; V259-M321 HydrophobicContact CG1-CG 3.9Å; V259-M321 HydrophobicContact CG1-SD 4.24Å; V259-M321 HydrophobicContact CG2-CE 3.94Å; V259-M321 HydrophobicContact CG2-CG 4.27Å; K261-M321 HydrophobicContact CB-CE 3.33Å; K261-M321 HydrophobicContact CB-SD 4.31Å; V287-M321 HydrophobicContact CG1-SD 4.1Å; L289-M321 HydrophobicContact CD1-SD 4.29Å; D317-M321 WeakPolarHBondContact O-CB 3.38Å; D317-M321 PolarHBondContact O-N 3.03Å; K319-M321 VanDerWaalsContact C-N 3.28Å; K319-M321 PolarHBondContact O-N 3.13Å; M321-H323 PolarHBondContact O-N 3.13Å; M321-N324 CarbonylContact O-C 3.55Å; M321-N324 PolarHBondContact O-N 3.31Å; M321-S325 WeakPolarHBondContact O-CB 3.45Å; M321-S325 PolarHBondContact O-N 3.28Å; M321-S325 PolarHBondContact O-OG 2.85Å
322	L	88.7	Confident	91.4	Very high	13 Å²	13	47.6 Å²	47.6	7%	0.068	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-43	178.5	-100.2	71.8	0	0	0	112.8	Y318 K319 E320 N324 S325 E343 A347	Y318-L322 HydrophobicContact CD2-CD1 3.79Å; Y318-L322 HydrophobicContact CE1-CD1 4.33Å; Y318-L322 HydrophobicContact CE1-CD2 4.2Å; Y318-L322 HydrophobicContact CE2-CD1 3.18Å; Y318-L322 HydrophobicContact CE2-CD2 4.25Å; Y318-L322 HydrophobicContact CE2-CG 4.33Å; Y318-L322 VanDerWaalsContact CZ-CD1 3.47Å; Y318-L322 WeakPolarHBondContact O-CD1 3.41Å; Y318-L322 PolarHBondContact O-N 3.05Å; Y318-L322 VanDerWaalsContact O-N 3.16Å; Y318-L322 WeakPolarHBondContact OH-CD2 2.99Å; K319-L322 PolarHBondContact O-N 2.88Å; E320-L322 PolarHBondContact O-N 2.95Å; L322-N324 VanDerWaalsContact C-N 3.28Å; L322-N324 PolarHBondContact O-N 2.87Å; L322-S325 PolarHBondContact O-N 2.91Å; L322-E343 HydrophobicContact CD2-CB 3.98Å; L322-A347 HydrophobicContact CB-CB 4.11Å; L322-A347 HydrophobicContact CD2-CB 4.36Å
323	H	87	Confident	91.1	Very high	49 Å²	49	45.1 Å²	45.1	23%	0.227	21%	0.21	C	C	.	.	H	α-helix	trans	-68.7	-28	-180	-66	-42.8	0	0	0	113.1	F244 R254 K319 E320 M321	F244-H323 AromaticContact CD1-CE1 3.35Å; F244-H323 WeakPolarHBondContact CD1-CE1 3.2Å; F244-H323 AromaticContact CD1-ND1 3.71Å; F244-H323 AromaticContact CD1-NE2 3.88Å; F244-H323 AromaticContact CD2-CE1 3.42Å; F244-H323 VanDerWaalsContact CD2-CE1 3.42Å; F244-H323 WeakPolarHBondContact CD2-CE1 3.38Å; F244-H323 AromaticContact CE1-CE1 3.38Å; F244-H323 WeakPolarHBondContact CE1-CE1 3.46Å; F244-H323 AromaticContact CE1-NE2 3.55Å; F244-H323 AromaticContact CE2-CE1 3.45Å; F244-H323 VanDerWaalsContact CE2-CE1 3.45Å; F244-H323 WeakPolarHBondContact CE2-CE1 3.46Å; F244-H323 AromaticContact CG-CE1 3.36Å; F244-H323 WeakPolarHBondContact CG-CE1 3.2Å; F244-H323 AromaticContact CG-ND1 3.62Å; F244-H323 AromaticContact CZ-CE1 3.44Å; F244-H323 VanDerWaalsContact CZ-CE1 3.44Å; F244-H323 WeakPolarHBondContact CZ-CE1 3.33Å; F244-H323 AromaticContact CZ-NE2 3.68Å; R254-H323 PolarHBondContact NE-O 3.29Å; R254-H323 PolarHBondContact NH1-O 2.92Å; R254-H323 PolarHBondContact NH2-O 2.85Å; K319-H323 PolarHBondContact O-CD2 3.39Å; K319-H323 PolarHBondContact O-N 2.87Å; E320-H323 PolarHBondContact O-N 3Å; M321-H323 PolarHBondContact O-N 3.13Å
324	N	89.1	Confident	90.5	Very high	62 Å²	62	44.3 Å²	44.3	33%	0.332	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	18.7	-179.5	-71.6	-21.5	0	0	0	113.7	R254 K255 Y256 E320 M321 L322	R254-N324 WeakPolarHBondContact CB-O 3.33Å; K255-N324 HydrophobicContact CB-CB 4.42Å; K255-N324 PolarHBondContact N-O 2.96Å; K255-N324 VanDerWaalsContact N-O 3.13Å; Y256-N324 HydrophobicContact CD2-CB 4.28Å; Y256-N324 HydrophobicContact CE2-CB 4.44Å; Y256-N324 PolarHBondContact N-O 2.92Å; E320-N324 WeakPolarHBondContact O-CB 3.27Å; E320-N324 PolarHBondContact O-N 2.93Å; M321-N324 CarbonylContact O-C 3.55Å; M321-N324 PolarHBondContact O-N 3.31Å; L322-N324 VanDerWaalsContact C-N 3.28Å; L322-N324 PolarHBondContact O-N 2.87Å
325	S	91.8	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.7	-179	-59.4	0	0	0	0	114.3	R254 Y256 V259 M321 L322 C349	R254-S325 WeakPolarHBondContact CD-O 3.39Å; R254-S325 PolarHBondContact NH1-O 3.38Å; Y256-S325 WeakPolarHBondContact O-CA 3.38Å; V259-S325 WeakPolarHBondContact CG1-OG 3.49Å; V259-S325 WeakPolarHBondContact CG2-OG 3.33Å; M321-S325 WeakPolarHBondContact O-CB 3.45Å; M321-S325 PolarHBondContact O-N 3.28Å; M321-S325 PolarHBondContact O-OG 2.85Å; L322-S325 PolarHBondContact O-N 2.91Å; S325-C349 PolarHBondContact O-SG 2.94Å; S325-C349 VanDerWaalsContact O-SG 3.39Å
326	T	92.8	Very high	90.1	Very high	13 Å²	13	36.4 Å²	36.4	8%	0.08	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-49	178.2	-56.8	0	0	0	0	111.5	Y256 V350 I395	Y256-T326 PolarHBondContact O-N 2.81Å; Y256-T326 PolarHBondContact O-OG1 2.73Å; T326-V350 PolarHBondContact O-N 2.91Å; T326-I395 HydrophobicContact CG2-CD1 4.23Å; T326-I395 HydrophobicContact CG2-CG2 3.63Å
327	F	95.7	Very high	90	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.2	178.6	-63.1	-84.8	0	0	0	111.1	M257 L258 V259 V350 V352 V373 V387 I390 I395	M257-F327 WeakPolarHBondContact O-CB 3.39Å; M257-F327 WeakPolarHBondContact O-CD2 3.15Å; M257-F327 PolarHBondContact O-N 2.74Å; M257-F327 HydrophobicContact SD-CD2 3.75Å; M257-F327 HydrophobicContact SD-CE2 3.78Å; L258-F327 WeakPolarHBondContact CA-O 3.28Å; L258-F327 HydrophobicContact CD1-CB 3.73Å; V259-F327 PolarHBondContact N-O 2.94Å; F327-V350 CarbonylContact C-O 3.58Å; F327-V350 WeakPolarHBondContact CA-O 3.2Å; F327-V350 HydrophobicContact CD1-CB 3.62Å; F327-V350 HydrophobicContact CD1-CG1 3.79Å; F327-V350 HydrophobicContact CE1-CB 3.9Å; F327-V350 HydrophobicContact CE1-CG1 3.82Å; F327-V350 HydrophobicContact CE1-CG2 4.43Å; F327-V352 HydrophobicContact CB-CG2 3.81Å; F327-V352 HydrophobicContact CD1-CG2 3.86Å; F327-V352 HydrophobicContact CG-CG2 4.2Å; F327-V373 HydrophobicContact CD1-CG2 4.4Å; F327-V373 HydrophobicContact CE1-CG2 4Å; F327-V387 HydrophobicContact CD1-CB 4.48Å; F327-V387 HydrophobicContact CD1-CG1 4.2Å; F327-V387 HydrophobicContact CD2-CB 3.85Å; F327-V387 HydrophobicContact CD2-CG1 4.33Å; F327-V387 HydrophobicContact CD2-CG2 4.43Å; F327-V387 HydrophobicContact CE2-CB 3.91Å; F327-V387 HydrophobicContact CG-CB 4.15Å; F327-V387 HydrophobicContact CG-CG1 4.11Å; F327-V387 HydrophobicContact CZ-CB 4.27Å; F327-I390 HydrophobicContact CE1-CD1 3.86Å; F327-I390 HydrophobicContact CZ-CB 4.27Å; F327-I390 HydrophobicContact CZ-CD1 3.81Å; F327-I395 HydrophobicContact CE2-CD1 4.01Å; F327-I395 HydrophobicContact CE2-CG1 4.29Å; F327-I395 HydrophobicContact CZ-CD1 3.99Å; F327-I395 HydrophobicContact CZ-CG1 3.78Å
328	C	95.9	Very high	89.8	Confident	6 Å²	6	30.4 Å²	30.4	4%	0.041	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.5	177.9	-77.3	0	0	0	0	109	V330 A344 C349 V350 P351 V352	C328-V330 PolarHBondContact O-N 3.32Å; C328-A344 HydrophobicContact CB-CB 3.79Å; C328-C349 VanDerWaalsContact CA-SG 3.55Å; C328-C349 HydrophobicContact CB-CB 3.88Å; C328-C349 WeakPolarHBondContact CB-SG 3.4Å; C328-C349 PolarHBondContact N-SG 2.93Å; C328-C349 WeakPolarHBondContact SG-CB 3.23Å; C328-C349 CovalentContact SG-SG 2.02Å; C328-C349 PolarHBondContact SG-SG 3.22Å; C328-V350 PolarHBondContact N-O 3.29Å; C328-P351 WeakPolarHBondContact O-CA 3.49Å; C328-V352 PolarHBondContact O-N 3.12Å
329	L	96.1	Very high	89.8	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.9	177.2	-166.2	70	0	0	0	109.7	L258 V259 F260 L277 L288 P331 V352 L354 I383	L258-L329 HydrophobicContact CD1-CB 4.17Å; V259-L329 PolarHBondContact O-N 2.88Å; F260-L329 HydrophobicContact CB-CB 4.14Å; F260-L329 HydrophobicContact CB-CD2 4.48Å; F260-L329 WeakPolarHBondContact CD2-O 3.48Å; L277-L329 HydrophobicContact CD2-CD2 3.48Å; L277-L329 VanDerWaalsContact CD2-CD2 3.48Å; L288-L329 HydrophobicContact CD2-CD2 4.29Å; L329-P331 WeakPolarHBondContact O-CD 3.46Å; L329-V352 HydrophobicContact CD1-CB 4.07Å; L329-V352 HydrophobicContact CD1-CG1 3.85Å; L329-L354 HydrophobicContact CD1-CB 4.24Å; L329-L354 HydrophobicContact CD1-CD2 4.4Å; L329-I383 HydrophobicContact CD1-CG2 4.37Å
330	V	95.3	Very high	90	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	76.5	176.9	-173.3	0	0	0	0	108	C328 R340 F341 A344 P351 V352 M353 L354	C328-V330 PolarHBondContact O-N 3.32Å; V330-R340 HydrophobicContact CG1-CB 4.18Å; V330-R340 HydrophobicContact CG2-CB 4.49Å; V330-F341 HydrophobicContact CG1-CB 4.1Å; V330-A344 HydrophobicContact CG2-CB 4.42Å; V330-P351 HydrophobicContact CG2-CB 3.95Å; V330-V352 PolarHBondContact N-O 3.03Å; V330-M353 HydrophobicContact CB-CE 4.22Å; V330-M353 HydrophobicContact CB-SD 3.91Å; V330-M353 HydrophobicContact CG1-CE 3.93Å; V330-M353 HydrophobicContact CG1-SD 4.19Å; V330-M353 HydrophobicContact CG2-SD 4.17Å; V330-L354 PolarHBondContact O-N 3.2Å
331	P	92.9	Very high	90.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	150.6	177.9	33.8	-34.5	0	0	0	111.5	F260 L329 L354	F260-P331 HydrophobicContact CD2-CG 3.76Å; F260-P331 HydrophobicContact CE1-CG 4.37Å; F260-P331 HydrophobicContact CE2-CG 3.3Å; F260-P331 HydrophobicContact CG-CG 4.46Å; F260-P331 HydrophobicContact CZ-CG 3.64Å; L329-P331 WeakPolarHBondContact O-CD 3.46Å; P331-L354 CarbonylContact C-O 3.41Å; P331-L354 WeakPolarHBondContact CA-O 3.26Å; P331-L354 HydrophobicContact CB-CB 4.49Å; P331-L354 HydrophobicContact CB-CD2 4.43Å
332	R	87.4	Confident	90.5	Very high	56 Å²	56	22 Å²	22	21%	0.211	10%	0.104	C	C	.	.			trans	-43.1	138.9	172.3	-169.5	-174.8	-73.4	-155.9	-9.5	112.1	R274 L336 L354 N356 E377	R274-R332 PolarHBondContact NE-O 3.45Å; R274-R332 PolarHBondContact NH2-O 3.17Å; R332-L336 HydrophobicContact CG-CD2 4.38Å; R332-L336 VanDerWaalsContact CZ-CD2 3.43Å; R332-L354 PolarHBondContact N-O 2.95Å; R332-N356 PolarHBondContact NH2-O 3.44Å; R332-E377 IonicContact CZ-OE1 2.87Å; R332-E377 VanDerWaalsContact CZ-OE1 3.24Å; R332-E377 IonicContact CZ-OE2 3.22Å; R332-E377 IonicContact NE-OE1 3.98Å; R332-E377 PolarHBondContact NE-OE1 3.12Å; R332-E377 IonicContact NE-OE2 2.9Å; R332-E377 IonicContact NH2-OE1 3.06Å; R332-E377 PolarHBondContact NH2-OE1 3.27Å
333	G	83.3	Confident	90.8	Very high	4 Å²	4	23.9 Å²	23.9	4%	0.041	11%	0.112	C	C	.	.			trans	-92.4	-153.4	173	0	0	0	0	0	112.4	R335	G333-R335 CarbonylContact C-O 3.49Å; G333-R335 VanDerWaalsContact C-O 3.31Å; G333-R335 VanDerWaalsContact CA-O 3.32Å; G333-R335 WeakPolarHBondContact CA-O 3.48Å; G333-R335 PolarHBondContact N-O 3.01Å
334	R	80.8	Confident	91.1	Very high	30 Å²	30	21.6 Å²	21.6	11%	0.113	10%	0.101	C	C	.	.	S	Bend	trans	-65.4	-26.9	162	-69.1	-65.6	-172.1	157.9	-4.7	111.9	Y197 Y265 T267	Y197-R334 HydrophobicContact CD1-CB 4.37Å; Y197-R334 HydrophobicContact CD2-CB 4.17Å; Y197-R334 HydrophobicContact CE1-CB 4.13Å; Y197-R334 HydrophobicContact CE2-CB 3.91Å; Y197-R334 HydrophobicContact CE2-CG 4.04Å; Y197-R334 HydrophobicContact CG-CB 4.38Å; Y265-R334 HydrophobicContact CD1-CG 4.31Å; Y265-R334 VanDerWaalsContact CD1-NE 3.25Å; Y265-R334 HydrophobicContact CD2-CG 4.38Å; Y265-R334 HydrophobicContact CE1-CG 3.88Å; Y265-R334 HydrophobicContact CE2-CG 3.99Å; T267-R334 PolarHBondContact O-NH1 2.73Å; T267-R334 PolarHBondContact O-NH2 2.96Å
335	R	87.3	Confident	91.3	Very high	42 Å²	42	18.6 Å²	18.6	16%	0.158	9%	0.085	C	C	.	.	S	Bend	trans	-114.1	168.9	169.6	-61.8	176.5	-179.8	94.4	1.6	108.6	D158 S191 G192 G333 G337	D158-R335 IonicContact OD2-NH2 3.47Å; S191-R335 VanDerWaalsContact O-CZ 3.25Å; S191-R335 PolarHBondContact O-NE 3.27Å; S191-R335 PolarHBondContact O-NH2 3.4Å; G192-R335 PolarHBondContact O-NH2 3.45Å; G333-R335 CarbonylContact C-O 3.49Å; G333-R335 VanDerWaalsContact C-O 3.31Å; G333-R335 VanDerWaalsContact CA-O 3.32Å; G333-R335 WeakPolarHBondContact CA-O 3.48Å; G333-R335 PolarHBondContact N-O 3.01Å; R335-G337 PolarHBondContact O-N 3.48Å
336	L	88.7	Confident	91.4	Very high	25 Å²	25	20.5 Å²	20.5	13%	0.131	9%	0.094	C	C	.	.	S	Bend	trans	-61.7	-41.3	-178.1	-67.3	177.1	0	0	0	113.3	R332 S355 W358	R332-L336 HydrophobicContact CG-CD2 4.38Å; R332-L336 VanDerWaalsContact CZ-CD2 3.43Å; L336-S355 PolarHBondContact O-OG 2.89Å; L336-W358 HydrophobicContact CB-CB 3.95Å; L336-W358 HydrophobicContact CB-CG 3.92Å; L336-W358 HydrophobicContact CD1-CB 4.5Å
337	G	87.6	Confident	91.3	Very high	4 Å²	4	20 Å²	20	4%	0.041	9%	0.091	C	C	.	.			trans	-87.5	156.8	177.1	0	0	0	0	0	113.5	S214 R335	S214-G337 VanDerWaalsContact CB-N 3.33Å; S214-G337 VanDerWaalsContact OG-CA 3.26Å; S214-G337 WeakPolarHBondContact OG-CA 3.33Å; S214-G337 PolarHBondContact OG-N 2.98Å; S214-G337 VanDerWaalsContact OG-N 3.09Å; R335-G337 PolarHBondContact O-N 3.48Å
338	S	88.5	Confident	91	Very high	18 Å²	18	20 Å²	20	13%	0.126	9%	0.091	C	C	.	.			trans	-140.1	147.6	177.1	-172.2	0	0	0	0	111.5	R340 F341	S338-R340 PolarHBondContact O-N 3.25Å; S338-R340 VanDerWaalsContact O-N 3.11Å; S338-R340 PolarHBondContact OG-N 3.07Å; S338-F341 VanDerWaalsContact O-CB 3.25Å; S338-F341 WeakPolarHBondContact O-CB 3.45Å; S338-F341 PolarHBondContact O-N 3.36Å
339	F	90.8	Very high	90.8	Very high	74 Å²	74	19.7 Å²	19.7	33%	0.325	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.2	170.9	-58.1	-67.5	0	0	0	112.9	Y190 L230 F231 F341 L342 E343	Y190-F339 AromaticContact CE1-CZ 3.99Å; Y190-F339 HydrophobicContact CE1-CZ 3.99Å; Y190-F339 VanDerWaalsContact OH-CZ 3.3Å; Y190-F339 WeakPolarHBondContact OH-CZ 3.43Å; L230-F339 HydrophobicContact CD1-CE1 4.25Å; L230-F339 HydrophobicContact CD2-CD1 4.21Å; L230-F339 HydrophobicContact CD2-CD2 4.48Å; L230-F339 HydrophobicContact CD2-CE1 3.98Å; L230-F339 HydrophobicContact CD2-CE2 4.27Å; L230-F339 HydrophobicContact CD2-CG 4.46Å; L230-F339 HydrophobicContact CD2-CZ 4.02Å; L230-F339 HydrophobicContact CG-CD1 3.92Å; L230-F339 HydrophobicContact CG-CE1 3.6Å; L230-F339 HydrophobicContact CG-CZ 4.06Å; F231-F339 VanDerWaalsContact C-CE1 3.49Å; F339-F341 PolarHBondContact O-N 3.29Å; F339-L342 PolarHBondContact O-N 3.35Å; F339-L342 VanDerWaalsContact O-N 3.12Å; F339-E343 VanDerWaalsContact C-OE2 3.23Å; F339-E343 PolarHBondContact O-N 3.37Å
340	R	91.8	Very high	90.7	Very high	49 Å²	49	19.5 Å²	19.5	19%	0.185	9%	0.088	C	C	.	.	H	α-helix	trans	-52	-30	174.9	-67.4	-63	90.6	139.2	-4.1	112.9	F260 K261 Y318 V330 S338 E343 A344	F260-R340 HydrophobicContact CE2-CG 4.33Å; K261-R340 PolarHBondContact O-NH1 3.24Å; Y318-R340 VanDerWaalsContact CE2-CZ 3.45Å; Y318-R340 PolarHBondContact OH-NE 2.76Å; Y318-R340 PolarHBondContact OH-NH1 3.08Å; Y318-R340 PolarHBondContact OH-NH2 2.9Å; V330-R340 HydrophobicContact CG1-CB 4.18Å; V330-R340 HydrophobicContact CG2-CB 4.49Å; S338-R340 PolarHBondContact O-N 3.25Å; S338-R340 VanDerWaalsContact O-N 3.11Å; S338-R340 PolarHBondContact OG-N 3.07Å; R340-E343 VanDerWaalsContact CA-OE2 3.27Å; R340-E343 WeakPolarHBondContact CA-OE2 3.45Å; R340-E343 IonicContact CZ-OE1 2.79Å; R340-E343 IonicContact CZ-OE2 3.44Å; R340-E343 PolarHBondContact N-OE2 3.4Å; R340-E343 IonicContact NE-OE2 3.41Å; R340-E343 PolarHBondContact NE-OE2 3.16Å; R340-E343 IonicContact NH2-OE1 3.55Å; R340-E343 PolarHBondContact NH2-OE1 3.29Å; R340-E343 IonicContact NH2-OE2 3.9Å; R340-E343 PolarHBondContact NH2-OE2 3.37Å; R340-A344 VanDerWaalsContact O-CB 3.28Å; R340-A344 WeakPolarHBondContact O-CB 3.44Å; R340-A344 PolarHBondContact O-N 2.86Å
341	F	95	Very high	90.8	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-59.9	-55.7	177.6	-178.2	-109	0	0	0	111.9	V330 S338 F339 E343 A344 L345 M353 W358 L360 P361 W368	V330-F341 HydrophobicContact CG1-CB 4.1Å; S338-F341 VanDerWaalsContact O-CB 3.25Å; S338-F341 WeakPolarHBondContact O-CB 3.45Å; S338-F341 PolarHBondContact O-N 3.36Å; F339-F341 PolarHBondContact O-N 3.29Å; F341-E343 PolarHBondContact O-N 3.45Å; F341-A344 PolarHBondContact O-N 3.27Å; F341-L345 HydrophobicContact CD1-CD1 4.25Å; F341-L345 HydrophobicContact CE1-CD1 3.83Å; F341-L345 HydrophobicContact CZ-CD1 4.09Å; F341-L345 WeakPolarHBondContact O-CG 3.5Å; F341-L345 PolarHBondContact O-N 3.28Å; F341-M353 HydrophobicContact CD2-CE 3.66Å; F341-M353 HydrophobicContact CD2-SD 3.67Å; F341-M353 HydrophobicContact CE2-CE 3.95Å; F341-M353 HydrophobicContact CE2-SD 3.82Å; F341-W358 HydrophobicContact CB-CH2 4.07Å; F341-W358 HydrophobicContact CD1-CH2 4.2Å; F341-W358 HydrophobicContact CD2-CH2 4.08Å; F341-W358 HydrophobicContact CD2-CZ3 4.29Å; F341-W358 AromaticContact CG-CH2 3.86Å; F341-W358 HydrophobicContact CG-CH2 3.86Å; F341-W358 HydrophobicContact CG-CZ3 4.42Å; F341-L360 HydrophobicContact CE2-CD2 4.36Å; F341-P361 HydrophobicContact CD1-CG 4.2Å; F341-P361 HydrophobicContact CE1-CB 4.34Å; F341-P361 HydrophobicContact CE1-CG 3.61Å; F341-P361 HydrophobicContact CZ-CG 4.2Å; F341-W368 AromaticContact CE1-CH2 3.95Å; F341-W368 HydrophobicContact CE1-CH2 3.95Å; F341-W368 HydrophobicContact CE1-CZ2 4.22Å; F341-W368 HydrophobicContact CE2-CH2 4.19Å; F341-W368 HydrophobicContact CE2-CZ3 4.13Å; F341-W368 HydrophobicContact CZ-CE3 4.3Å; F341-W368 AromaticContact CZ-CH2 3.27Å; F341-W368 HydrophobicContact CZ-CH2 3.27Å; F341-W368 AromaticContact CZ-CZ2 3.59Å; F341-W368 HydrophobicContact CZ-CZ2 3.59Å; F341-W368 AromaticContact CZ-CZ3 3.66Å; F341-W368 HydrophobicContact CZ-CZ3 3.66Å
342	L	94.9	Very high	91	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.052	9%	0.087	C	C	.	.	H	α-helix	trans	-66.6	-37.9	-179.4	-70.6	-173.4	0	0	0	112.3	P229 L230 F231 F339 L345 Q346 W406 F410	P229-L342 HydrophobicContact CB-CD1 4.05Å; P229-L342 HydrophobicContact CB-CD2 3.7Å; P229-L342 HydrophobicContact CB-CG 4.03Å; P229-L342 HydrophobicContact CG-CD1 4.4Å; P229-L342 HydrophobicContact CG-CD2 4.25Å; L230-L342 WeakPolarHBondContact O-CD1 3.46Å; F231-L342 HydrophobicContact CB-CD1 3.85Å; F339-L342 PolarHBondContact O-N 3.35Å; F339-L342 VanDerWaalsContact O-N 3.12Å; L342-L345 HydrophobicContact CD2-CD1 4.36Å; L342-L345 PolarHBondContact O-N 2.76Å; L342-Q346 WeakPolarHBondContact O-CB 3.32Å; L342-Q346 PolarHBondContact O-N 3.29Å; L342-W406 HydrophobicContact CB-CZ3 4.23Å; L342-W406 HydrophobicContact CD2-CZ3 4.42Å; L342-F410 HydrophobicContact CD2-CB 3.87Å; L342-F410 HydrophobicContact CD2-CD1 4.14Å; L342-F410 HydrophobicContact CD2-CG 4.05Å
343	E	93.3	Very high	91.4	Very high	51 Å²	51	17 Å²	17	24%	0.238	8%	0.079	C	C	.	.	H	α-helix	trans	-66.9	-37.3	179.8	-66	162.1	132.1	0	0	112.2	Y318 L322 F339 R340 F341 A347	Y318-E343 PolarHBondContact OH-OE2 2.98Å; L322-E343 HydrophobicContact CD2-CB 3.98Å; F339-E343 VanDerWaalsContact C-OE2 3.23Å; F339-E343 PolarHBondContact O-N 3.37Å; R340-E343 VanDerWaalsContact CA-OE2 3.27Å; R340-E343 WeakPolarHBondContact CA-OE2 3.45Å; R340-E343 IonicContact CZ-OE1 2.79Å; R340-E343 IonicContact CZ-OE2 3.44Å; R340-E343 PolarHBondContact N-OE2 3.4Å; R340-E343 IonicContact NE-OE2 3.41Å; R340-E343 PolarHBondContact NE-OE2 3.16Å; R340-E343 IonicContact NH2-OE1 3.55Å; R340-E343 PolarHBondContact NH2-OE1 3.29Å; R340-E343 IonicContact NH2-OE2 3.9Å; R340-E343 PolarHBondContact NH2-OE2 3.37Å; F341-E343 PolarHBondContact O-N 3.45Å; E343-A347 VanDerWaalsContact O-CB 3.3Å; E343-A347 WeakPolarHBondContact O-CB 3.47Å; E343-A347 PolarHBondContact O-N 3.37Å
344	A	94.3	Very high	91.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.008	8%	0.077	C	C	.	.	H	α-helix	trans	-62.8	-45.6	172.9	0	0	0	0	0	111	C328 V330 R340 F341 Q346 A347 A348 C349 P351	C328-A344 HydrophobicContact CB-CB 3.79Å; V330-A344 HydrophobicContact CG2-CB 4.42Å; R340-A344 VanDerWaalsContact O-CB 3.28Å; R340-A344 WeakPolarHBondContact O-CB 3.44Å; R340-A344 PolarHBondContact O-N 2.86Å; F341-A344 PolarHBondContact O-N 3.27Å; A344-Q346 PolarHBondContact O-N 3.06Å; A344-A347 PolarHBondContact O-N 3.21Å; A344-A348 PolarHBondContact O-N 3.28Å; A344-C349 CarbonylContact C-O 3.52Å; A344-C349 PolarHBondContact O-N 2.85Å; A344-C349 VanDerWaalsContact O-O 3.06Å; A344-P351 HydrophobicContact CB-CB 4.21Å
345	L	94.3	Very high	92.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60	-48.1	177.7	-65.5	177.5	0	0	0	111.5	F341 L342 A347 A348 P351 W368 T402 Q403 W406 F410	F341-L345 HydrophobicContact CD1-CD1 4.25Å; F341-L345 HydrophobicContact CE1-CD1 3.83Å; F341-L345 HydrophobicContact CZ-CD1 4.09Å; F341-L345 WeakPolarHBondContact O-CG 3.5Å; F341-L345 PolarHBondContact O-N 3.28Å; L342-L345 HydrophobicContact CD2-CD1 4.36Å; L342-L345 PolarHBondContact O-N 2.76Å; L345-A347 PolarHBondContact O-N 2.92Å; L345-A348 PolarHBondContact O-N 3.4Å; L345-P351 HydrophobicContact CD2-CG 4.01Å; L345-W368 HydrophobicContact CD1-CH2 4.07Å; L345-W368 HydrophobicContact CD1-CZ3 4.42Å; L345-W368 HydrophobicContact CD2-CZ3 4.17Å; L345-T402 HydrophobicContact CB-CG2 4.15Å; L345-T402 HydrophobicContact CD2-CG2 3.59Å; L345-T402 HydrophobicContact CG-CG2 4.47Å; L345-T402 WeakPolarHBondContact O-CG2 3.44Å; L345-Q403 PolarHBondContact O-NE2 3.31Å; L345-W406 HydrophobicContact CB-CB 4.41Å; L345-W406 HydrophobicContact CB-CE3 4.3Å; L345-F410 HydrophobicContact CD1-CD2 3.85Å; L345-F410 HydrophobicContact CD1-CE2 4.16Å
346	Q	92.3	Very high	92.6	Very high	39 Å²	39	16.5 Å²	16.5	18%	0.182	8%	0.082	C	C	.	.	H	α-helix	trans	-57.9	-47.3	178.1	-172.1	-175	19.1	0	0	111.4	E241 F244 L342 A344 A348 Q403 W406	E241-Q346 PolarHBondContact OE2-NE2 3.11Å; F244-Q346 HydrophobicContact CD2-CG 4Å; F244-Q346 WeakPolarHBondContact CD2-O 3.45Å; F244-Q346 HydrophobicContact CE2-CG 3.89Å; F244-Q346 PolarHBondContact N-O 3.32Å; F244-Q346 VanDerWaalsContact N-O 3.09Å; L342-Q346 WeakPolarHBondContact O-CB 3.32Å; L342-Q346 PolarHBondContact O-N 3.29Å; A344-Q346 PolarHBondContact O-N 3.06Å; Q346-A348 PolarHBondContact O-N 3.42Å; Q346-A348 VanDerWaalsContact O-N 3.08Å; Q346-Q403 PolarHBondContact O-NE2 3.27Å; Q346-Q403 VanDerWaalsContact O-NE2 3.1Å; Q346-W406 HydrophobicContact CB-CD2 3.95Å; Q346-W406 HydrophobicContact CB-CE3 4.09Å; Q346-W406 HydrophobicContact CB-CH2 3.92Å; Q346-W406 HydrophobicContact CB-CZ2 3.78Å; Q346-W406 HydrophobicContact CB-CZ3 4.08Å; Q346-W406 HydrophobicContact CG-CD2 4.3Å; Q346-W406 HydrophobicContact CG-CH2 4.05Å; Q346-W406 HydrophobicContact CG-CZ2 3.49Å; Q346-W406 VanDerWaalsContact CG-CZ2 3.49Å
347	A	90.3	Very high	92.6	Very high	2 Å²	2	17.5 Å²	17.5	2%	0.017	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	1.7	-176.6	0	0	0	0	0	115.2	R254 L322 E343 A344 L345 C349	R254-A347 PolarHBondContact NH1-O 2.8Å; R254-A347 VanDerWaalsContact NH1-O 3.15Å; R254-A347 PolarHBondContact NH2-O 2.93Å; L322-A347 HydrophobicContact CB-CB 4.11Å; L322-A347 HydrophobicContact CD2-CB 4.36Å; E343-A347 VanDerWaalsContact O-CB 3.3Å; E343-A347 WeakPolarHBondContact O-CB 3.47Å; E343-A347 PolarHBondContact O-N 3.37Å; A344-A347 PolarHBondContact O-N 3.21Å; L345-A347 PolarHBondContact O-N 2.92Å; A347-C349 HydrophobicContact CB-CB 4.25Å; A347-C349 PolarHBondContact O-N 3.25Å
348	A	89.6	Confident	92.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	32.1	-171.3	0	0	0	0	0	112.4	L245 R254 A344 L345 Q346 R399 Q403	L245-A348 HydrophobicContact CB-CB 3.94Å; L245-A348 HydrophobicContact CD1-CB 4.45Å; R254-A348 PolarHBondContact NH1-O 3.15Å; A344-A348 PolarHBondContact O-N 3.28Å; L345-A348 PolarHBondContact O-N 3.4Å; Q346-A348 PolarHBondContact O-N 3.42Å; Q346-A348 VanDerWaalsContact O-N 3.08Å; A348-R399 PolarHBondContact O-NE 3.42Å; A348-Q403 VanDerWaalsContact CA-NE2 3.34Å; A348-Q403 HydrophobicContact CB-CG 3.7Å
349	C	92.2	Very high	93.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-101.6	118.7	179	-168.7	0	0	0	0	107.6	S325 C328 A344 A347 P351	S325-C349 PolarHBondContact O-SG 2.94Å; S325-C349 VanDerWaalsContact O-SG 3.39Å; C328-C349 VanDerWaalsContact CA-SG 3.55Å; C328-C349 HydrophobicContact CB-CB 3.88Å; C328-C349 WeakPolarHBondContact CB-SG 3.4Å; C328-C349 PolarHBondContact N-SG 2.93Å; C328-C349 WeakPolarHBondContact SG-CB 3.23Å; C328-C349 CovalentContact SG-SG 2.02Å; C328-C349 PolarHBondContact SG-SG 3.22Å; A344-C349 CarbonylContact C-O 3.52Å; A344-C349 PolarHBondContact O-N 2.85Å; A344-C349 VanDerWaalsContact O-O 3.06Å; A347-C349 HydrophobicContact CB-CB 4.25Å; A347-C349 PolarHBondContact O-N 3.25Å; C349-P351 VanDerWaalsContact O-CD 3.28Å; C349-P351 WeakPolarHBondContact O-CD 3.27Å; C349-P351 VanDerWaalsContact O-N 3.12Å
350	V	95.4	Very high	93.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	117.9	-172.6	178.7	0	0	0	0	108.9	T326 F327 C328 V352 V373 L398 R399	T326-V350 PolarHBondContact O-N 2.91Å; F327-V350 CarbonylContact C-O 3.58Å; F327-V350 WeakPolarHBondContact CA-O 3.2Å; F327-V350 HydrophobicContact CD1-CB 3.62Å; F327-V350 HydrophobicContact CD1-CG1 3.79Å; F327-V350 HydrophobicContact CE1-CB 3.9Å; F327-V350 HydrophobicContact CE1-CG1 3.82Å; F327-V350 HydrophobicContact CE1-CG2 4.43Å; C328-V350 PolarHBondContact N-O 3.29Å; V350-V352 PolarHBondContact O-N 3.41Å; V350-V373 HydrophobicContact CG1-CG2 4.19Å; V350-L398 HydrophobicContact CG1-CB 4.11Å; V350-L398 HydrophobicContact CG1-CD1 3.96Å; V350-L398 HydrophobicContact CG2-CB 3.82Å; V350-R399 HydrophobicContact CG2-CG 3.49Å; V350-R399 VanDerWaalsContact CG2-CG 3.49Å
351	P	97	Very high	93.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.7	-178.1	27.6	-33.4	0	0	0	110.3	C328 V330 A344 L345 C349 M353 A371 A372 V373	C328-P351 WeakPolarHBondContact O-CA 3.49Å; V330-P351 HydrophobicContact CG2-CB 3.95Å; A344-P351 HydrophobicContact CB-CB 4.21Å; L345-P351 HydrophobicContact CD2-CG 4.01Å; C349-P351 VanDerWaalsContact O-CD 3.28Å; C349-P351 WeakPolarHBondContact O-CD 3.27Å; C349-P351 VanDerWaalsContact O-N 3.12Å; P351-M353 HydrophobicContact CB-SD 3.93Å; P351-A371 WeakPolarHBondContact CD-O 3.48Å; P351-A372 HydrophobicContact CG-CB 3.83Å; P351-A372 WeakPolarHBondContact O-CA 3.37Å; P351-V373 PolarHBondContact O-N 2.85Å
352	V	97.1	Very high	93.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	100.4	169.5	-177.5	0	0	0	0	107.1	L258 F327 C328 L329 V330 V350 L354 V373 I383 V387	L258-V352 HydrophobicContact CD1-CB 4.49Å; L258-V352 HydrophobicContact CD1-CG2 4.05Å; F327-V352 HydrophobicContact CB-CG2 3.81Å; F327-V352 HydrophobicContact CD1-CG2 3.86Å; F327-V352 HydrophobicContact CG-CG2 4.2Å; C328-V352 PolarHBondContact O-N 3.12Å; L329-V352 HydrophobicContact CD1-CB 4.07Å; L329-V352 HydrophobicContact CD1-CG1 3.85Å; V330-V352 PolarHBondContact N-O 3.03Å; V350-V352 PolarHBondContact O-N 3.41Å; V352-L354 PolarHBondContact O-N 3.24Å; V352-V373 CarbonylContact C-O 3.52Å; V352-V373 WeakPolarHBondContact CA-O 3.42Å; V352-V373 HydrophobicContact CG1-CG1 4.46Å; V352-V373 HydrophobicContact CG2-CB 4.23Å; V352-I383 HydrophobicContact CG1-CD1 4.4Å; V352-I383 HydrophobicContact CG1-CG2 3.95Å; V352-V387 HydrophobicContact CG2-CG1 3.92Å
353	M	95.7	Very high	93.8	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.03	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	124.2	-174.8	-56.9	-51	-62.6	0	0	109.9	V330 F341 P351 W358 L360 A372 V373 I374 G375	V330-M353 HydrophobicContact CB-CE 4.22Å; V330-M353 HydrophobicContact CB-SD 3.91Å; V330-M353 HydrophobicContact CG1-CE 3.93Å; V330-M353 HydrophobicContact CG1-SD 4.19Å; V330-M353 HydrophobicContact CG2-SD 4.17Å; F341-M353 HydrophobicContact CD2-CE 3.66Å; F341-M353 HydrophobicContact CD2-SD 3.67Å; F341-M353 HydrophobicContact CE2-CE 3.95Å; F341-M353 HydrophobicContact CE2-SD 3.82Å; P351-M353 HydrophobicContact CB-SD 3.93Å; M353-W358 HydrophobicContact CE-CE3 3.56Å; M353-W358 HydrophobicContact CE-CH2 4.1Å; M353-W358 HydrophobicContact CE-CZ3 3.12Å; M353-L360 HydrophobicContact CE-CD2 3.52Å; M353-L360 HydrophobicContact CG-CD2 4.46Å; M353-A372 HydrophobicContact CG-CB 4.18Å; M353-V373 PolarHBondContact N-O 3.19Å; M353-I374 HydrophobicContact CB-CD1 3.78Å; M353-I374 HydrophobicContact CG-CD1 3.56Å; M353-G375 WeakPolarHBondContact O-CA 3.38Å; M353-G375 PolarHBondContact O-N 3.22Å
354	L	93.3	Very high	93.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	64.2	177.3	-163.8	77.9	0	0	0	108.9	T273 L329 V330 P331 R332 V352 D376 E377 L380 I383	T273-L354 HydrophobicContact CG2-CD2 3.5Å; T273-L354 HydrophobicContact CG2-CG 4.27Å; L329-L354 HydrophobicContact CD1-CB 4.24Å; L329-L354 HydrophobicContact CD1-CD2 4.4Å; V330-L354 PolarHBondContact O-N 3.2Å; P331-L354 CarbonylContact C-O 3.41Å; P331-L354 WeakPolarHBondContact CA-O 3.26Å; P331-L354 HydrophobicContact CB-CB 4.49Å; P331-L354 HydrophobicContact CB-CD2 4.43Å; R332-L354 PolarHBondContact N-O 2.95Å; V352-L354 PolarHBondContact O-N 3.24Å; L354-D376 WeakPolarHBondContact CD1-O 3.36Å; L354-E377 HydrophobicContact CG-CG 4.08Å; L354-L380 HydrophobicContact CD2-CD1 3.65Å; L354-I383 HydrophobicContact CD1-CD1 4.37Å
355	S	91.4	Very high	93.8	Very high	14 Å²	14	17 Å²	17	10%	0.098	10%	0.1	C	C	.	.			trans	-147.2	88.5	-178.4	-164.2	0	0	0	0	109.5	L336 W358 E377	L336-S355 PolarHBondContact O-OG 2.89Å; S355-W358 PolarHBondContact O-N 3.41Å; S355-E377 WeakPolarHBondContact CA-OE1 3.33Å
356	N	90.6	Very high	93.9	Very high	53 Å²	53	17.2 Å²	17.2	28%	0.283	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	138.1	-174.9	-73.4	-2.3	0	0	0	110.4	R332 W358 D376 E377	R332-N356 PolarHBondContact NH2-O 3.44Å; N356-W358 PolarHBondContact O-N 3.2Å; N356-D376 PolarHBondContact ND2-OD1 2.57Å; N356-E377 HydrophobicContact CB-CG 4.35Å; N356-E377 PolarHBondContact N-OE1 2.99Å; N356-E377 PolarHBondContact ND2-N 2.87Å; N356-E377 PolarHBondContact OD1-N 3.34Å; N356-E377 VanDerWaalsContact OD1-N 3.16Å
357	G	89.7	Confident	94	Very high	46 Å²	46	18.5 Å²	18.5	47%	0.474	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	12	177.8	0	0	0	0	0	115.3	G216 S217	G216-G357 CarbonylContact C-O 3.59Å; G216-G357 VanDerWaalsContact CA-O 3.27Å; G216-G357 WeakPolarHBondContact CA-O 3.46Å; S217-G357 PolarHBondContact N-O 3.38Å; S217-G357 PolarHBondContact OG-O 2.82Å
358	W	93.1	Very high	94.3	Very high	18 Å²	18	19.1 Å²	19.1	7%	0.068	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-81.9	125	170.3	-177.6	21.5	0	0	0	110.7	L336 F341 M353 S355 N356 L360 P361	L336-W358 HydrophobicContact CB-CB 3.95Å; L336-W358 HydrophobicContact CB-CG 3.92Å; L336-W358 HydrophobicContact CD1-CB 4.5Å; F341-W358 HydrophobicContact CB-CH2 4.07Å; F341-W358 HydrophobicContact CD1-CH2 4.2Å; F341-W358 HydrophobicContact CD2-CH2 4.08Å; F341-W358 HydrophobicContact CD2-CZ3 4.29Å; F341-W358 AromaticContact CG-CH2 3.86Å; F341-W358 HydrophobicContact CG-CH2 3.86Å; F341-W358 HydrophobicContact CG-CZ3 4.42Å; M353-W358 HydrophobicContact CE-CE3 3.56Å; M353-W358 HydrophobicContact CE-CH2 4.1Å; M353-W358 HydrophobicContact CE-CZ3 3.12Å; S355-W358 PolarHBondContact O-N 3.41Å; N356-W358 PolarHBondContact O-N 3.2Å; W358-L360 HydrophobicContact CD2-CD2 4Å; W358-L360 HydrophobicContact CE3-CD2 3.71Å; W358-L360 HydrophobicContact CH2-CD2 4.17Å; W358-L360 HydrophobicContact CZ2-CD2 4.42Å; W358-L360 HydrophobicContact CZ3-CD2 3.86Å; W358-L360 PolarHBondContact O-N 2.99Å; W358-P361 HydrophobicContact CZ2-CG 4Å
359	E	94.8	Very high	94.5	Very high	42 Å²	42	24.4 Å²	24.4	20%	0.196	14%	0.139	C	C	.	.			trans	-76	109.3	168.3	-162.8	62.6	-143.4	0	0	110.2	I215 S217 F220 S227 S363	I215-E359 HydrophobicContact CG2-CB 3.95Å; I215-E359 PolarHBondContact O-N 3.2Å; I215-E359 VanDerWaalsContact O-N 3.09Å; S217-E359 PolarHBondContact OG-OE2 3.05Å; F220-E359 HydrophobicContact CB-CB 4.47Å; F220-E359 HydrophobicContact CD1-CG 3.71Å; F220-E359 HydrophobicContact CD2-CG 4.14Å; F220-E359 HydrophobicContact CE1-CG 3.83Å; F220-E359 HydrophobicContact CE2-CG 4.28Å; F220-E359 HydrophobicContact CG-CB 4.29Å; F220-E359 HydrophobicContact CG-CG 3.87Å; F220-E359 HydrophobicContact CZ-CG 4.13Å; S227-E359 PolarHBondContact OG-O 3.41Å; E359-S363 VanDerWaalsContact OE1-CB 3.22Å; E359-S363 WeakPolarHBondContact OE1-CB 3.42Å; E359-S363 PolarHBondContact OE1-OG 3.37Å
360	L	96.1	Very high	94.6	Very high	20 Å²	20	26.3 Å²	26.3	11%	0.105	15%	0.151	C	C	.	.			trans	-63.8	152	-176.4	-66	178.8	0	0	0	111.9	S227 F341 M353 W358 F362 S363 W368 I374	S227-L360 WeakPolarHBondContact CB-O 3.37Å; S227-L360 PolarHBondContact OG-O 3.15Å; F341-L360 HydrophobicContact CE2-CD2 4.36Å; M353-L360 HydrophobicContact CE-CD2 3.52Å; M353-L360 HydrophobicContact CG-CD2 4.46Å; W358-L360 HydrophobicContact CD2-CD2 4Å; W358-L360 HydrophobicContact CE3-CD2 3.71Å; W358-L360 HydrophobicContact CH2-CD2 4.17Å; W358-L360 HydrophobicContact CZ2-CD2 4.42Å; W358-L360 HydrophobicContact CZ3-CD2 3.86Å; W358-L360 PolarHBondContact O-N 2.99Å; L360-F362 PolarHBondContact O-N 3.06Å; L360-S363 WeakPolarHBondContact O-CB 3.42Å; L360-S363 PolarHBondContact O-N 2.66Å; L360-S363 VanDerWaalsContact O-N 3.14Å; L360-S363 PolarHBondContact O-OG 2.91Å; L360-W368 HydrophobicContact CB-CD2 4.38Å; L360-W368 HydrophobicContact CB-CG 4.1Å; L360-W368 HydrophobicContact CD1-CB 3.67Å; L360-W368 HydrophobicContact CD1-CD2 3.93Å; L360-W368 HydrophobicContact CD1-CG 3.43Å; L360-W368 VanDerWaalsContact CD1-CG 3.43Å; L360-W368 HydrophobicContact CG-CG 4.42Å; L360-I374 HydrophobicContact CD1-CD1 3.9Å
361	P	97.1	Very high	94.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	129.6	-179	-28.8	39.6	0	0	0	112.2	S227 P229 F341 W358 S363 W368 F410	S227-P361 CarbonylContact O-C 3.52Å; S227-P361 WeakPolarHBondContact O-CA 3.46Å; P229-P361 HydrophobicContact CB-CB 4.08Å; P229-P361 HydrophobicContact CB-CG 3.82Å; F341-P361 HydrophobicContact CD1-CG 4.2Å; F341-P361 HydrophobicContact CE1-CB 4.34Å; F341-P361 HydrophobicContact CE1-CG 3.61Å; F341-P361 HydrophobicContact CZ-CG 4.2Å; W358-P361 HydrophobicContact CZ2-CG 4Å; P361-S363 PolarHBondContact O-N 2.98Å; P361-S363 VanDerWaalsContact O-N 3.16Å; P361-W368 WeakPolarHBondContact O-CZ2 3.21Å; P361-W368 PolarHBondContact O-NE1 2.8Å; P361-F410 HydrophobicContact CB-CE1 3.97Å; P361-F410 HydrophobicContact CB-CZ 4.14Å
362	F	97.6	Very high	94.6	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	33	-178.6	-46.7	-51.2	0	0	0	114.1	V226 S227 I228 L360 E364 I365 I366 F410 I416 T419 I423	V226-F362 HydrophobicContact CG1-CD1 3.79Å; V226-F362 HydrophobicContact CG1-CE1 3.8Å; S227-F362 WeakPolarHBondContact O-CD1 3.46Å; S227-F362 PolarHBondContact O-N 3.19Å; I228-F362 HydrophobicContact CG2-CE1 3.85Å; I228-F362 HydrophobicContact CG2-CZ 4.27Å; L360-F362 PolarHBondContact O-N 3.06Å; F362-E364 PolarHBondContact O-N 3.3Å; F362-I365 HydrophobicContact CB-CD1 4.01Å; F362-I365 HydrophobicContact CB-CG1 3.76Å; F362-I365 WeakPolarHBondContact O-CG1 3.26Å; F362-I365 PolarHBondContact O-N 3.07Å; F362-I366 HydrophobicContact CB-CD1 3.84Å; F362-I366 HydrophobicContact CB-CG1 4.13Å; F362-I366 HydrophobicContact CD2-CD1 4.16Å; F362-I366 PolarHBondContact O-N 3.41Å; F362-F410 AromaticContact CD2-CE1 3.51Å; F362-F410 HydrophobicContact CD2-CE1 3.51Å; F362-F410 AromaticContact CD2-CZ 3.72Å; F362-F410 HydrophobicContact CD2-CZ 3.72Å; F362-F410 HydrophobicContact CE2-CD1 4.2Å; F362-F410 AromaticContact CE2-CE1 3.49Å; F362-F410 HydrophobicContact CE2-CE1 3.49Å; F362-F410 VanDerWaalsContact CE2-CE1 3.49Å; F362-F410 HydrophobicContact CE2-CZ 4.17Å; F362-I416 HydrophobicContact CZ-CG2 4.05Å; F362-I416 WeakPolarHBondContact CZ-O 3.31Å; F362-T419 HydrophobicContact CD1-CG2 4.21Å; F362-T419 HydrophobicContact CD2-CG2 3.84Å; F362-T419 HydrophobicContact CE1-CG2 4.1Å; F362-T419 HydrophobicContact CE2-CG2 3.74Å; F362-T419 HydrophobicContact CG-CG2 4.08Å; F362-T419 HydrophobicContact CZ-CG2 3.87Å; F362-I423 HydrophobicContact CB-CD1 4.14Å; F362-I423 HydrophobicContact CD1-CD1 3.42Å; F362-I423 VanDerWaalsContact CD1-CD1 3.42Å; F362-I423 HydrophobicContact CE1-CD1 4.06Å; F362-I423 HydrophobicContact CG-CD1 4.01Å
363	S	94.4	Very high	94.6	Very high	33 Å²	33	27.6 Å²	27.6	23%	0.231	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.2	-179.8	53.3	0	0	0	0	114.8	E359 L360 P361 I365	E359-S363 VanDerWaalsContact OE1-CB 3.22Å; E359-S363 WeakPolarHBondContact OE1-CB 3.42Å; E359-S363 PolarHBondContact OE1-OG 3.37Å; L360-S363 WeakPolarHBondContact O-CB 3.42Å; L360-S363 PolarHBondContact O-N 2.66Å; L360-S363 VanDerWaalsContact O-N 3.14Å; L360-S363 PolarHBondContact O-OG 2.91Å; P361-S363 PolarHBondContact O-N 2.98Å; P361-S363 VanDerWaalsContact O-N 3.16Å; S363-I365 VanDerWaalsContact C-N 3.35Å
364	E	92.9	Very high	94.5	Very high	64 Å²	64	32 Å²	32	30%	0.299	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-29.7	177	78.1	-169.2	107.8	0	0	113.4	F362 I423 R427	F362-E364 PolarHBondContact O-N 3.3Å; E364-I423 VanDerWaalsContact CD-CG2 3.41Å; E364-I423 HydrophobicContact CG-CG2 4.44Å; E364-I423 WeakPolarHBondContact OE1-CG2 3.41Å; E364-I423 WeakPolarHBondContact OE2-CG2 3.22Å; E364-R427 IonicContact OE1-CZ 3.29Å; E364-R427 IonicContact OE1-NH2 3.01Å; E364-R427 PolarHBondContact OE1-NH2 2.93Å; E364-R427 IonicContact OE2-CZ 3.36Å; E364-R427 VanDerWaalsContact OE2-CZ 3.25Å; E364-R427 IonicContact OE2-NE 2.92Å; E364-R427 PolarHBondContact OE2-NE 2.58Å; E364-R427 IonicContact OE2-NH2 3.83Å; E364-R427 PolarHBondContact OE2-NH2 2.7Å
365	I	95.1	Very high	94.5	Very high	20 Å²	20	32.5 Å²	32.5	10%	0.103	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-26.4	-178.7	54.3	140.9	0	0	0	112.9	F362 S363 T419 I423 W439 N440	F362-I365 HydrophobicContact CB-CD1 4.01Å; F362-I365 HydrophobicContact CB-CG1 3.76Å; F362-I365 WeakPolarHBondContact O-CG1 3.26Å; F362-I365 PolarHBondContact O-N 3.07Å; S363-I365 VanDerWaalsContact C-N 3.35Å; I365-T419 HydrophobicContact CD1-CG2 4.04Å; I365-I423 HydrophobicContact CD1-CD1 3.98Å; I365-I423 HydrophobicContact CD1-CG1 4.2Å; I365-I423 HydrophobicContact CG1-CD1 3.91Å; I365-I423 HydrophobicContact CG1-CG1 4.21Å; I365-I423 HydrophobicContact CG2-CG1 4.12Å; I365-W439 HydrophobicContact CB-CB 4.05Å; I365-W439 HydrophobicContact CB-CD2 3.94Å; I365-W439 HydrophobicContact CB-CG 3.67Å; I365-W439 HydrophobicContact CD1-CB 4.36Å; I365-W439 HydrophobicContact CD1-CD2 3.55Å; I365-W439 HydrophobicContact CD1-CE3 3.31Å; I365-W439 HydrophobicContact CD1-CG 4.04Å; I365-W439 HydrophobicContact CD1-CH2 4.34Å; I365-W439 HydrophobicContact CD1-CZ3 3.75Å; I365-W439 HydrophobicContact CG1-CD2 4.35Å; I365-W439 HydrophobicContact CG1-CG 4.48Å; I365-W439 HydrophobicContact CG2-CD2 3.98Å; I365-W439 HydrophobicContact CG2-CG 3.91Å; I365-W439 HydrophobicContact CG2-CZ2 4.33Å; I365-W439 WeakPolarHBondContact O-CB 3.29Å; I365-N440 PolarHBondContact O-ND2 3.49Å
366	I	96.4	Very high	94.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.021	19%	0.191	C	C	.	.			trans	-97.8	123.2	-177.7	-63.8	178.3	0	0	0	109.7	F362 W368 L405 Y409 F410 N440	F362-I366 HydrophobicContact CB-CD1 3.84Å; F362-I366 HydrophobicContact CB-CG1 4.13Å; F362-I366 HydrophobicContact CD2-CD1 4.16Å; F362-I366 PolarHBondContact O-N 3.41Å; I366-W368 HydrophobicContact CB-CZ2 4.5Å; I366-W368 HydrophobicContact CD1-CZ2 4.04Å; I366-W368 HydrophobicContact CG2-CD2 3.88Å; I366-W368 HydrophobicContact CG2-CE3 4.38Å; I366-W368 HydrophobicContact CG2-CG 4.18Å; I366-W368 HydrophobicContact CG2-CH2 4.39Å; I366-W368 HydrophobicContact CG2-CZ2 3.93Å; I366-W368 PolarHBondContact O-N 3.37Å; I366-W368 VanDerWaalsContact O-N 3.13Å; I366-L405 HydrophobicContact CD1-CD2 4.14Å; I366-L405 HydrophobicContact CG1-CD2 4.21Å; I366-L405 HydrophobicContact CG2-CD1 3.67Å; I366-L405 HydrophobicContact CG2-CD2 3.97Å; I366-L405 HydrophobicContact CG2-CG 4.49Å; I366-Y409 HydrophobicContact CD1-CD2 4Å; I366-F410 HydrophobicContact CD1-CE2 3.88Å; I366-F410 HydrophobicContact CD1-CZ 3.67Å; I366-N440 WeakPolarHBondContact CA-OD1 3.16Å
367	D	94.9	Very high	94.4	Very high	66 Å²	66	32.9 Å²	32.9	35%	0.353	19%	0.186	S	C	.	.			trans	-81.6	91.2	170.5	-177	4.9	0	0	0	110.6	N369 T370 N440	D367-N369 PolarHBondContact O-N 3.15Å; D367-N369 VanDerWaalsContact O-N 3.12Å; D367-N369 WeakPolarHBondContact OD1-CB 3.42Å; D367-N369 PolarHBondContact OD1-N 3.2Å; D367-N369 VanDerWaalsContact OD1-N 3.1Å; D367-N369 PolarHBondContact OD1-ND2 2.87Å; D367-T370 HydrophobicContact CB-CG2 4.28Å; D367-T370 PolarHBondContact O-N 3.43Å; D367-T370 PolarHBondContact O-OG1 3.25Å; D367-T370 WeakPolarHBondContact OD2-CG2 3.49Å; D367-N440 PolarHBondContact N-OD1 3.18Å
368	W	95.5	Very high	94.5	Very high	14 Å²	14	40.4 Å²	40.4	5%	0.053	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-62.4	-17.8	-178.7	-75.3	106.6	0	0	0	114.3	F341 L345 L360 P361 I366 T370 A371 A372 L405 F410	F341-W368 AromaticContact CE1-CH2 3.95Å; F341-W368 HydrophobicContact CE1-CH2 3.95Å; F341-W368 HydrophobicContact CE1-CZ2 4.22Å; F341-W368 HydrophobicContact CE2-CH2 4.19Å; F341-W368 HydrophobicContact CE2-CZ3 4.13Å; F341-W368 HydrophobicContact CZ-CE3 4.3Å; F341-W368 AromaticContact CZ-CH2 3.27Å; F341-W368 HydrophobicContact CZ-CH2 3.27Å; F341-W368 AromaticContact CZ-CZ2 3.59Å; F341-W368 HydrophobicContact CZ-CZ2 3.59Å; F341-W368 AromaticContact CZ-CZ3 3.66Å; F341-W368 HydrophobicContact CZ-CZ3 3.66Å; L345-W368 HydrophobicContact CD1-CH2 4.07Å; L345-W368 HydrophobicContact CD1-CZ3 4.42Å; L345-W368 HydrophobicContact CD2-CZ3 4.17Å; L360-W368 HydrophobicContact CB-CD2 4.38Å; L360-W368 HydrophobicContact CB-CG 4.1Å; L360-W368 HydrophobicContact CD1-CB 3.67Å; L360-W368 HydrophobicContact CD1-CD2 3.93Å; L360-W368 HydrophobicContact CD1-CG 3.43Å; L360-W368 VanDerWaalsContact CD1-CG 3.43Å; L360-W368 HydrophobicContact CG-CG 4.42Å; P361-W368 WeakPolarHBondContact O-CZ2 3.21Å; P361-W368 PolarHBondContact O-NE1 2.8Å; I366-W368 HydrophobicContact CB-CZ2 4.5Å; I366-W368 HydrophobicContact CD1-CZ2 4.04Å; I366-W368 HydrophobicContact CG2-CD2 3.88Å; I366-W368 HydrophobicContact CG2-CE3 4.38Å; I366-W368 HydrophobicContact CG2-CG 4.18Å; I366-W368 HydrophobicContact CG2-CH2 4.39Å; I366-W368 HydrophobicContact CG2-CZ2 3.93Å; I366-W368 PolarHBondContact O-N 3.37Å; I366-W368 VanDerWaalsContact O-N 3.13Å; W368-T370 PolarHBondContact O-N 3.28Å; W368-A371 HydrophobicContact CE3-CB 4.18Å; W368-A371 HydrophobicContact CZ3-CB 4.29Å; W368-A371 PolarHBondContact O-N 2.87Å; W368-A371 VanDerWaalsContact O-N 3.15Å; W368-A372 HydrophobicContact CE3-CB 4.22Å; W368-A372 PolarHBondContact O-N 2.95Å; W368-L405 HydrophobicContact CE3-CD1 4.47Å; W368-L405 HydrophobicContact CH2-CD1 4.18Å; W368-L405 HydrophobicContact CZ3-CD1 3.97Å; W368-F410 AromaticContact CH2-CE2 3.71Å; W368-F410 HydrophobicContact CH2-CE2 3.71Å; W368-F410 HydrophobicContact CH2-CZ 4.03Å; W368-F410 HydrophobicContact CZ2-CE2 4.01Å; W368-F410 AromaticContact CZ2-CZ 3.87Å; W368-F410 HydrophobicContact CZ2-CZ 3.87Å
369	N	94.4	Very high	94.4	Very high	112 Å²	112	43.3 Å²	43.3	60%	0.599	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-68.2	-15.3	175.1	-56	-61.6	0	0	0	112.9	D367	D367-N369 PolarHBondContact O-N 3.15Å; D367-N369 VanDerWaalsContact O-N 3.12Å; D367-N369 WeakPolarHBondContact OD1-CB 3.42Å; D367-N369 PolarHBondContact OD1-N 3.2Å; D367-N369 VanDerWaalsContact OD1-N 3.1Å; D367-N369 PolarHBondContact OD1-ND2 2.87Å
370	T	94.8	Very high	94.3	Very high	40 Å²	40	41.9 Å²	41.9	25%	0.245	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-92.9	-8.3	177.1	66.7	0	0	0	0	113.4	D367 W368 L398 Q401	D367-T370 HydrophobicContact CB-CG2 4.28Å; D367-T370 PolarHBondContact O-N 3.43Å; D367-T370 PolarHBondContact O-OG1 3.25Å; D367-T370 WeakPolarHBondContact OD2-CG2 3.49Å; W368-T370 PolarHBondContact O-N 3.28Å; T370-L398 VanDerWaalsContact C-CD2 3.48Å; T370-L398 WeakPolarHBondContact O-CD2 3.42Å; T370-Q401 VanDerWaalsContact O-CB 3.23Å; T370-Q401 WeakPolarHBondContact O-CB 3.4Å; T370-Q401 WeakPolarHBondContact O-CG 3.34Å; T370-Q401 WeakPolarHBondContact OG1-CG 3.46Å
371	A	95.6	Very high	94.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-21.4	-175.5	0	0	0	0	0	114.6	P351 W368 Q401 T402 L405	P351-A371 WeakPolarHBondContact CD-O 3.48Å; W368-A371 HydrophobicContact CE3-CB 4.18Å; W368-A371 HydrophobicContact CZ3-CB 4.29Å; W368-A371 PolarHBondContact O-N 2.87Å; W368-A371 VanDerWaalsContact O-N 3.15Å; A371-Q401 HydrophobicContact CB-CB 4.27Å; A371-Q401 HydrophobicContact CB-CG 3.9Å; A371-T402 PolarHBondContact O-OG1 3.42Å; A371-L405 HydrophobicContact CB-CD1 3.55Å
372	A	96.6	Very high	93.9	Very high	6 Å²	6	51.9 Å²	51.9	5%	0.05	26%	0.259	C	S	.	.			trans	-131.2	158.4	-174.3	0	0	0	0	0	112.1	P351 M353 W368 I374	P351-A372 HydrophobicContact CG-CB 3.83Å; P351-A372 WeakPolarHBondContact O-CA 3.37Å; M353-A372 HydrophobicContact CG-CB 4.18Å; W368-A372 HydrophobicContact CE3-CB 4.22Å; W368-A372 PolarHBondContact O-N 2.95Å; A372-I374 HydrophobicContact CB-CD1 4.14Å
373	V	96.6	Very high	93.8	Very high	20 Å²	20	52.2 Å²	52.2	12%	0.121	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.9	167.7	178.9	0	0	0	0	107.5	F327 V350 P351 V352 M353 I390 L398	F327-V373 HydrophobicContact CD1-CG2 4.4Å; F327-V373 HydrophobicContact CE1-CG2 4Å; V350-V373 HydrophobicContact CG1-CG2 4.19Å; P351-V373 PolarHBondContact O-N 2.85Å; V352-V373 CarbonylContact C-O 3.52Å; V352-V373 WeakPolarHBondContact CA-O 3.42Å; V352-V373 HydrophobicContact CG1-CG1 4.46Å; V352-V373 HydrophobicContact CG2-CB 4.23Å; M353-V373 PolarHBondContact N-O 3.19Å; V373-I390 HydrophobicContact CG2-CD1 3.65Å; V373-L398 HydrophobicContact CG2-CD1 4.41Å
374	I	94.6	Very high	93.8	Very high	100 Å²	100	51.3 Å²	51.3	51%	0.513	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	117.3	179.9	-49.3	-54.8	0	0	0	109.1	M353 L360 A372	M353-I374 HydrophobicContact CB-CD1 3.78Å; M353-I374 HydrophobicContact CG-CD1 3.56Å; L360-I374 HydrophobicContact CD1-CD1 3.9Å; A372-I374 HydrophobicContact CB-CD1 4.14Å
375	G	91.9	Very high	93.9	Very high	9 Å²	9	53 Å²	53	9%	0.093	27%	0.27	C	S	.	.			trans	-110.3	146.3	178.6	0	0	0	0	0	112.1	M353	M353-G375 WeakPolarHBondContact O-CA 3.38Å; M353-G375 PolarHBondContact O-N 3.22Å
376	D	91.4	Very high	93.9	Very high	39 Å²	39	54.9 Å²	54.9	21%	0.209	28%	0.282	C	S	.	.			trans	-83.4	129	172.2	-167.4	-39.2	0	0	0	110	L354 N356 R378 L379	L354-D376 WeakPolarHBondContact CD1-O 3.36Å; N356-D376 PolarHBondContact ND2-OD1 2.57Å; D376-R378 PolarHBondContact O-N 3.23Å; D376-R378 VanDerWaalsContact O-N 3.09Å; D376-R378 WeakPolarHBondContact OD1-CB 3.33Å; D376-R378 WeakPolarHBondContact OD1-CG 3.47Å; D376-R378 IonicContact OD1-CZ 2.81Å; D376-R378 PolarHBondContact OD1-N 3.01Å; D376-R378 IonicContact OD1-NE 3.56Å; D376-R378 PolarHBondContact OD1-NE 3.25Å; D376-R378 IonicContact OD2-CZ 2.99Å; D376-R378 VanDerWaalsContact OD2-CZ 3.26Å; D376-R378 IonicContact OD2-NE 3.33Å; D376-R378 PolarHBondContact OD2-NE 3.47Å; D376-R378 IonicContact OD2-NH2 3.81Å; D376-R378 PolarHBondContact OD2-NH2 3.31Å; D376-L379 HydrophobicContact CB-CB 4.33Å; D376-L379 HydrophobicContact CB-CD1 4.22Å; D376-L379 HydrophobicContact CB-CG 4.16Å; D376-L379 PolarHBondContact O-N 3.01Å
377	E	89.6	Confident	93.8	Very high	36 Å²	36	54.7 Å²	54.7	17%	0.168	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-51.1	-33.2	175.4	-69.9	-179.2	-156.2	0	0	113	R332 L354 S355 N356 L379	R332-E377 IonicContact CZ-OE1 2.87Å; R332-E377 VanDerWaalsContact CZ-OE1 3.24Å; R332-E377 IonicContact CZ-OE2 3.22Å; R332-E377 IonicContact NE-OE1 3.98Å; R332-E377 PolarHBondContact NE-OE1 3.12Å; R332-E377 IonicContact NE-OE2 2.9Å; R332-E377 IonicContact NH2-OE1 3.06Å; R332-E377 PolarHBondContact NH2-OE1 3.27Å; L354-E377 HydrophobicContact CG-CG 4.08Å; S355-E377 WeakPolarHBondContact CA-OE1 3.33Å; N356-E377 HydrophobicContact CB-CG 4.35Å; N356-E377 PolarHBondContact N-OE1 2.99Å; N356-E377 PolarHBondContact ND2-N 2.87Å; N356-E377 PolarHBondContact OD1-N 3.34Å; N356-E377 VanDerWaalsContact OD1-N 3.16Å; E377-L379 VanDerWaalsContact C-N 3.27Å; E377-L379 PolarHBondContact O-N 2.74Å
378	R	90.2	Very high	93.7	Very high	205 Å²	205	57.4 Å²	57.4	77%	0.774	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-70.7	-21.7	179.5	-60	173.8	-68	179.9	1.3	113.3	D376	D376-R378 PolarHBondContact O-N 3.23Å; D376-R378 VanDerWaalsContact O-N 3.09Å; D376-R378 WeakPolarHBondContact OD1-CB 3.33Å; D376-R378 WeakPolarHBondContact OD1-CG 3.47Å; D376-R378 IonicContact OD1-CZ 2.81Å; D376-R378 PolarHBondContact OD1-N 3.01Å; D376-R378 IonicContact OD1-NE 3.56Å; D376-R378 PolarHBondContact OD1-NE 3.25Å; D376-R378 IonicContact OD2-CZ 2.99Å; D376-R378 VanDerWaalsContact OD2-CZ 3.26Å; D376-R378 IonicContact OD2-NE 3.33Å; D376-R378 PolarHBondContact OD2-NE 3.47Å; D376-R378 IonicContact OD2-NH2 3.81Å; D376-R378 PolarHBondContact OD2-NH2 3.31Å
379	L	92.3	Very high	93.7	Very high	79 Å²	79	60.7 Å²	60.7	41%	0.414	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-106.8	23	-175.8	-58.7	-179.2	0	0	0	112.3	D376 E377 L381 Q382	D376-L379 HydrophobicContact CB-CB 4.33Å; D376-L379 HydrophobicContact CB-CD1 4.22Å; D376-L379 HydrophobicContact CB-CG 4.16Å; D376-L379 PolarHBondContact O-N 3.01Å; E377-L379 VanDerWaalsContact C-N 3.27Å; E377-L379 PolarHBondContact O-N 2.74Å; L379-L381 PolarHBondContact O-N 3.03Å; L379-Q382 WeakPolarHBondContact O-CB 3.46Å; L379-Q382 PolarHBondContact O-N 3.16Å
380	L	91.3	Very high	93.7	Very high	12 Å²	12	57 Å²	57	6%	0.063	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-46.6	-41.7	-178.4	170.8	62.5	0	0	0	113.5	A276 L277 V280 L354 Q382 I383	A276-L380 HydrophobicContact CB-CD2 3.54Å; L277-L380 HydrophobicContact CD2-CD1 3.74Å; L277-L380 HydrophobicContact CD2-CD2 4.15Å; V280-L380 HydrophobicContact CG2-CD1 4.29Å; V280-L380 HydrophobicContact CG2-CG 4.03Å; L354-L380 HydrophobicContact CD2-CD1 3.65Å; L380-Q382 PolarHBondContact O-N 2.85Å; L380-I383 WeakPolarHBondContact O-CB 3.4Å; L380-I383 WeakPolarHBondContact O-CG1 3.47Å; L380-I383 PolarHBondContact O-N 3.05Å
381	L	92.5	Very high	93.6	Very high	119 Å²	119	61.9 Å²	61.9	62%	0.623	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.5	-178.8	-60.6	-178.8	0	0	0	113.8	H279 V280 L379	H279-L381 HydrophobicContact CB-CD2 4.04Å; V280-L381 HydrophobicContact CG2-CD2 3.72Å; L379-L381 PolarHBondContact O-N 3.03Å
382	Q	94.1	Very high	93.3	Very high	110 Å²	110	66 Å²	66	51%	0.514	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-87.3	-16.2	179	-60.6	-177.8	7.4	0	0	112.7	L379 L380 P384 T385 T386	L379-Q382 WeakPolarHBondContact O-CB 3.46Å; L379-Q382 PolarHBondContact O-N 3.16Å; L380-Q382 PolarHBondContact O-N 2.85Å; Q382-P384 VanDerWaalsContact C-CD 3.49Å; Q382-T385 WeakPolarHBondContact O-CB 3.25Å; Q382-T385 PolarHBondContact O-N 2.93Å; Q382-T386 PolarHBondContact O-N 3.25Å; Q382-T386 PolarHBondContact O-OG1 2.94Å
383	I	94.6	Very high	93	Very high	8 Å²	8	71.4 Å²	71.4	4%	0.041	36%	0.358	C	S	.	.	H	α-helix	trans	-52.7	-44.6	-175.5	-63.6	-66.2	0	0	0	113.1	L258 L329 V352 L354 L380 T385 T386 V387	L258-I383 HydrophobicContact CD2-CG2 3.84Å; L329-I383 HydrophobicContact CD1-CG2 4.37Å; V352-I383 HydrophobicContact CG1-CD1 4.4Å; V352-I383 HydrophobicContact CG1-CG2 3.95Å; L354-I383 HydrophobicContact CD1-CD1 4.37Å; L380-I383 WeakPolarHBondContact O-CB 3.4Å; L380-I383 WeakPolarHBondContact O-CG1 3.47Å; L380-I383 PolarHBondContact O-N 3.05Å; I383-T385 VanDerWaalsContact C-N 3.31Å; I383-T385 PolarHBondContact O-N 3.3Å; I383-T386 WeakPolarHBondContact O-CB 3.2Å; I383-T386 PolarHBondContact O-N 3.44Å; I383-V387 HydrophobicContact CG2-CG1 4.32Å; I383-V387 WeakPolarHBondContact O-CG2 3.22Å; I383-V387 PolarHBondContact O-N 3.25Å
384	P	94.5	Very high	92.8	Very high	14 Å²	14	74.6 Å²	74.6	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-58.8	-41	176.9	-24.4	34.1	0	0	0	113.4	V280 Q382 V387 R388	V280-P384 HydrophobicContact CG1-CG 3.35Å; Q382-P384 VanDerWaalsContact C-CD 3.49Å; P384-V387 WeakPolarHBondContact O-CG2 3.31Å; P384-R388 WeakPolarHBondContact O-CB 3.18Å; P384-R388 VanDerWaalsContact O-CG 3.23Å; P384-R388 WeakPolarHBondContact O-CG 3.48Å; P384-R388 PolarHBondContact O-N 3.38Å; P384-R388 VanDerWaalsContact O-N 3.15Å
385	T	94.6	Very high	92.7	Very high	101 Å²	101	70.1 Å²	70.1	62%	0.62	35%	0.348	S	S	*	.	H	α-helix	trans	-66.6	-43.1	177.5	-51.8	0	0	0	0	110.5	Q382 I383 R388 S389	Q382-T385 WeakPolarHBondContact O-CB 3.25Å; Q382-T385 PolarHBondContact O-N 2.93Å; I383-T385 VanDerWaalsContact C-N 3.31Å; I383-T385 PolarHBondContact O-N 3.3Å; T385-R388 PolarHBondContact O-N 2.98Å; T385-S389 PolarHBondContact O-N 3.42Å; T385-S389 VanDerWaalsContact O-N 3.14Å
386	T	94.6	Very high	92.6	Very high	58 Å²	58	72 Å²	72	36%	0.356	36%	0.356	S	S	.	.	H	α-helix	trans	-59.2	-52	177.3	-55.2	0	0	0	0	111.5	Q382 I383 R388 S389	Q382-T386 PolarHBondContact O-N 3.25Å; Q382-T386 PolarHBondContact O-OG1 2.94Å; I383-T386 WeakPolarHBondContact O-CB 3.2Å; I383-T386 PolarHBondContact O-N 3.44Å; T386-R388 VanDerWaalsContact C-N 3.31Å; T386-R388 PolarHBondContact O-N 2.78Å; T386-S389 PolarHBondContact O-N 3.19Å; T386-S389 VanDerWaalsContact O-N 3.13Å; T386-S389 PolarHBondContact O-OG 3.31Å
387	V	94.7	Very high	92.6	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.006	36%	0.364	C	S	.	.	H	α-helix	trans	-67.2	-31.8	-177.4	-60.7	0	0	0	0	112.8	M257 F327 V352 I383 P384 S389 I390	M257-V387 HydrophobicContact CG-CG2 4.1Å; F327-V387 HydrophobicContact CD1-CB 4.48Å; F327-V387 HydrophobicContact CD1-CG1 4.2Å; F327-V387 HydrophobicContact CD2-CB 3.85Å; F327-V387 HydrophobicContact CD2-CG1 4.33Å; F327-V387 HydrophobicContact CD2-CG2 4.43Å; F327-V387 HydrophobicContact CE2-CB 3.91Å; F327-V387 HydrophobicContact CG-CB 4.15Å; F327-V387 HydrophobicContact CG-CG1 4.11Å; F327-V387 HydrophobicContact CZ-CB 4.27Å; V352-V387 HydrophobicContact CG2-CG1 3.92Å; I383-V387 HydrophobicContact CG2-CG1 4.32Å; I383-V387 WeakPolarHBondContact O-CG2 3.22Å; I383-V387 PolarHBondContact O-N 3.25Å; P384-V387 WeakPolarHBondContact O-CG2 3.31Å; V387-S389 VanDerWaalsContact C-N 3.28Å; V387-S389 PolarHBondContact O-N 2.91Å; V387-I390 PolarHBondContact O-N 2.91Å
388	R	93.9	Very high	92.8	Very high	122 Å²	122	71.2 Å²	71.2	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-69.6	-24.1	174.7	-75.6	177.5	-178.1	140.4	-0.7	113.4	M257 D285 P384 T385 T386 I390	M257-R388 HydrophobicContact CG-CG 4.4Å; D285-R388 VanDerWaalsContact CG-NH2 3.32Å; D285-R388 IonicContact OD1-NH2 3.61Å; D285-R388 PolarHBondContact OD1-NH2 2.76Å; D285-R388 IonicContact OD2-CZ 2.97Å; D285-R388 IonicContact OD2-NE 3.05Å; D285-R388 PolarHBondContact OD2-NE 2.98Å; D285-R388 IonicContact OD2-NH2 3.9Å; D285-R388 PolarHBondContact OD2-NH2 3.48Å; P384-R388 WeakPolarHBondContact O-CB 3.18Å; P384-R388 VanDerWaalsContact O-CG 3.23Å; P384-R388 WeakPolarHBondContact O-CG 3.48Å; P384-R388 PolarHBondContact O-N 3.38Å; P384-R388 VanDerWaalsContact O-N 3.15Å; T385-R388 PolarHBondContact O-N 2.98Å; T386-R388 VanDerWaalsContact C-N 3.31Å; T386-R388 PolarHBondContact O-N 2.78Å; R388-I390 VanDerWaalsContact C-N 3.29Å
389	S	95.3	Very high	92.8	Very high	83 Å²	83	61.7 Å²	61.7	58%	0.58	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.4	177.7	74.5	0	0	0	0	113.9	T385 T386 V387 H391	T385-S389 PolarHBondContact O-N 3.42Å; T385-S389 VanDerWaalsContact O-N 3.14Å; T386-S389 PolarHBondContact O-N 3.19Å; T386-S389 VanDerWaalsContact O-N 3.13Å; T386-S389 PolarHBondContact O-OG 3.31Å; V387-S389 VanDerWaalsContact C-N 3.28Å; V387-S389 PolarHBondContact O-N 2.91Å; S389-H391 PolarHBondContact O-N 3.18Å
390	I	94.5	Very high	92.8	Very high	35 Å²	35	63.1 Å²	63.1	18%	0.179	33%	0.325	C	S	.	.	S	Bend	trans	-79.7	123.2	-178	-55.7	175.8	0	0	0	109.3	F327 V373 V387 R388 K394 I395	F327-I390 HydrophobicContact CE1-CD1 3.86Å; F327-I390 HydrophobicContact CZ-CB 4.27Å; F327-I390 HydrophobicContact CZ-CD1 3.81Å; V373-I390 HydrophobicContact CG2-CD1 3.65Å; V387-I390 PolarHBondContact O-N 2.91Å; R388-I390 VanDerWaalsContact C-N 3.29Å; I390-K394 HydrophobicContact CG2-CB 3.95Å; I390-K394 HydrophobicContact CG2-CG 3.85Å; I390-I395 HydrophobicContact CB-CG1 4.39Å; I390-I395 HydrophobicContact CG2-CG1 3.83Å
391	H	92.4	Very high	92.9	Very high	143 Å²	143	64.1 Å²	64.1	66%	0.662	33%	0.33	S	S	*	.			trans	-67.4	154	178.6	-72.5	-82.1	0	0	0	113.3	S389 D393 K394 I395	S389-H391 PolarHBondContact O-N 3.18Å; H391-D393 VanDerWaalsContact C-N 3.33Å; H391-D393 WeakPolarHBondContact CB-OD1 3.41Å; H391-D393 PolarHBondContact O-N 3.03Å; H391-K394 PolarHBondContact O-N 3.46Å; H391-K394 VanDerWaalsContact O-N 3.17Å; H391-I395 WeakPolarHBondContact O-CG1 3.45Å; H391-I395 PolarHBondContact O-N 2.96Å
392	Q	88.6	Confident	92.9	Very high	85 Å²	85	58.5 Å²	58.5	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-63.8	-33.5	-173.2	-170.3	64.6	15.4	0	0	113.9	I395 L396	Q392-I395 PolarHBondContact O-N 3.4Å; Q392-L396 PolarHBondContact O-N 2.92Å
393	D	90.1	Very high	92.8	Very high	120 Å²	120	53.8 Å²	53.8	64%	0.642	28%	0.278	S	S	*	.	H	α-helix	trans	-64.1	-44.8	174.3	62.4	-34	0	0	0	111.3	H391 L396 S397	H391-D393 VanDerWaalsContact C-N 3.33Å; H391-D393 WeakPolarHBondContact CB-OD1 3.41Å; H391-D393 PolarHBondContact O-N 3.03Å; D393-L396 PolarHBondContact O-N 3.29Å; D393-S397 PolarHBondContact O-N 3.33Å
394	K	92.8	Very high	92.8	Very high	87 Å²	87	54.5 Å²	54.5	38%	0.378	28%	0.281	S	S	.	.	H	α-helix	trans	-64.8	-41	174.1	-175.7	61.5	177.7	178	0	111.1	I390 H391 L396 S397 L398	I390-K394 HydrophobicContact CG2-CB 3.95Å; I390-K394 HydrophobicContact CG2-CG 3.85Å; H391-K394 PolarHBondContact O-N 3.46Å; H391-K394 VanDerWaalsContact O-N 3.17Å; K394-L396 VanDerWaalsContact C-N 3.33Å; K394-L396 PolarHBondContact O-N 3.05Å; K394-S397 PolarHBondContact O-N 3.49Å; K394-L398 HydrophobicContact CD-CG 4.38Å; K394-L398 HydrophobicContact CG-CD1 4.19Å; K394-L398 HydrophobicContact CG-CG 4.36Å; K394-L398 VanDerWaalsContact O-CG 3.26Å; K394-L398 WeakPolarHBondContact O-CG 3.36Å; K394-L398 PolarHBondContact O-N 2.57Å
395	I	92.3	Very high	92.9	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-45.4	174.5	-68.7	168.9	0	0	0	110.9	T326 F327 I390 H391 Q392 L398 R399	T326-I395 HydrophobicContact CG2-CD1 4.23Å; T326-I395 HydrophobicContact CG2-CG2 3.63Å; F327-I395 HydrophobicContact CE2-CD1 4.01Å; F327-I395 HydrophobicContact CE2-CG1 4.29Å; F327-I395 HydrophobicContact CZ-CD1 3.99Å; F327-I395 HydrophobicContact CZ-CG1 3.78Å; I390-I395 HydrophobicContact CB-CG1 4.39Å; I390-I395 HydrophobicContact CG2-CG1 3.83Å; H391-I395 WeakPolarHBondContact O-CG1 3.45Å; H391-I395 PolarHBondContact O-N 2.96Å; Q392-I395 PolarHBondContact O-N 3.4Å; I395-L398 PolarHBondContact O-N 2.96Å; I395-R399 HydrophobicContact CG2-CG 4.48Å; I395-R399 WeakPolarHBondContact O-CB 2.94Å; I395-R399 VanDerWaalsContact O-CG 3.26Å; I395-R399 WeakPolarHBondContact O-CG 3.05Å; I395-R399 PolarHBondContact O-N 2.02Å
396	L	89.8	Confident	92.9	Very high	50 Å²	50	49.3 Å²	49.3	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-45.4	177.8	-179.5	62.2	0	0	0	111.4	Q392 D393 K394 R399 Q400	Q392-L396 PolarHBondContact O-N 2.92Å; D393-L396 PolarHBondContact O-N 3.29Å; K394-L396 VanDerWaalsContact C-N 3.33Å; K394-L396 PolarHBondContact O-N 3.05Å; L396-R399 PolarHBondContact O-N 2.72Å; L396-Q400 HydrophobicContact CD1-CG 4.4Å; L396-Q400 WeakPolarHBondContact O-CG 2.98Å; L396-Q400 PolarHBondContact O-N 2.93Å
397	S	91.3	Very high	92.8	Very high	54 Å²	54	49.2 Å²	49.2	38%	0.378	24%	0.244	S	C	.	.	H	α-helix	trans	-60.1	-48	176.3	173.6	0	0	0	0	112.1	D393 K394 R399 Q400 Q401	D393-S397 PolarHBondContact O-N 3.33Å; K394-S397 PolarHBondContact O-N 3.49Å; S397-R399 VanDerWaalsContact C-N 3.28Å; S397-R399 PolarHBondContact O-N 3.44Å; S397-Q400 PolarHBondContact O-N 2.83Å; S397-Q401 WeakPolarHBondContact O-CB 3.43Å; S397-Q401 PolarHBondContact O-N 3.4Å
398	L	93.8	Very high	92.7	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-40.6	176.9	-69.2	171.6	0	0	0	111.5	V350 T370 V373 K394 I395 T402	V350-L398 HydrophobicContact CG1-CB 4.11Å; V350-L398 HydrophobicContact CG1-CD1 3.96Å; V350-L398 HydrophobicContact CG2-CB 3.82Å; T370-L398 VanDerWaalsContact C-CD2 3.48Å; T370-L398 WeakPolarHBondContact O-CD2 3.42Å; V373-L398 HydrophobicContact CG2-CD1 4.41Å; K394-L398 HydrophobicContact CD-CG 4.38Å; K394-L398 HydrophobicContact CG-CD1 4.19Å; K394-L398 HydrophobicContact CG-CG 4.36Å; K394-L398 VanDerWaalsContact O-CG 3.26Å; K394-L398 WeakPolarHBondContact O-CG 3.36Å; K394-L398 PolarHBondContact O-N 2.57Å; I395-L398 PolarHBondContact O-N 2.96Å; L398-T402 VanDerWaalsContact O-CB 3.26Å; L398-T402 WeakPolarHBondContact O-CB 3.3Å; L398-T402 PolarHBondContact O-N 3.39Å; L398-T402 PolarHBondContact O-OG1 2.92Å
399	R	91.3	Very high	92.9	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-71.1	-41.7	179.6	-71.2	177	70.4	-176.2	-11.7	112.6	R254 A348 V350 I395 L396 S397 Q401 T402 Q403	R254-R399 VanDerWaalsContact CZ-NH2 3.26Å; R254-R399 VanDerWaalsContact NE-NH2 3.14Å; A348-R399 PolarHBondContact O-NE 3.42Å; V350-R399 HydrophobicContact CG2-CG 3.49Å; V350-R399 VanDerWaalsContact CG2-CG 3.49Å; I395-R399 HydrophobicContact CG2-CG 4.48Å; I395-R399 WeakPolarHBondContact O-CB 2.94Å; I395-R399 VanDerWaalsContact O-CG 3.26Å; I395-R399 WeakPolarHBondContact O-CG 3.05Å; I395-R399 PolarHBondContact O-N 2.02Å; L396-R399 PolarHBondContact O-N 2.72Å; S397-R399 VanDerWaalsContact C-N 3.28Å; S397-R399 PolarHBondContact O-N 3.44Å; R399-Q401 VanDerWaalsContact C-N 3.32Å; R399-T402 WeakPolarHBondContact O-CB 3.15Å; R399-T402 PolarHBondContact O-N 2.76Å; R399-Q403 WeakPolarHBondContact O-CG 3.48Å; R399-Q403 PolarHBondContact O-N 3.32Å
400	Q	91.1	Very high	92.9	Very high	108 Å²	108	40 Å²	40	51%	0.505	20%	0.198	S	C	.	.	H	α-helix	trans	-60.2	-46.4	174	-74.8	173.4	-20.9	0	0	110.4	L245 L396 S397 Q403 F404	L245-Q400 HydrophobicContact CD2-CG 4.46Å; L396-Q400 HydrophobicContact CD1-CG 4.4Å; L396-Q400 WeakPolarHBondContact O-CG 2.98Å; L396-Q400 PolarHBondContact O-N 2.93Å; S397-Q400 PolarHBondContact O-N 2.83Å; Q400-Q403 PolarHBondContact O-N 3.41Å; Q400-F404 PolarHBondContact O-N 3.15Å
401	Q	94	Very high	92.9	Very high	34 Å²	34	38.5 Å²	38.5	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-43.9	178.1	-168.2	67.1	4.3	0	0	112.2	T370 A371 S397 R399 Q403 F404 L405 N440	T370-Q401 VanDerWaalsContact O-CB 3.23Å; T370-Q401 WeakPolarHBondContact O-CB 3.4Å; T370-Q401 WeakPolarHBondContact O-CG 3.34Å; T370-Q401 WeakPolarHBondContact OG1-CG 3.46Å; A371-Q401 HydrophobicContact CB-CB 4.27Å; A371-Q401 HydrophobicContact CB-CG 3.9Å; S397-Q401 WeakPolarHBondContact O-CB 3.43Å; S397-Q401 PolarHBondContact O-N 3.4Å; R399-Q401 VanDerWaalsContact C-N 3.32Å; Q401-Q403 VanDerWaalsContact C-N 3.25Å; Q401-Q403 PolarHBondContact O-N 3.08Å; Q401-F404 PolarHBondContact O-N 3.27Å; Q401-L405 HydrophobicContact CG-CD1 4.29Å; Q401-L405 HydrophobicContact CG-CG 4.39Å; Q401-L405 VanDerWaalsContact O-CG 3.31Å; Q401-L405 WeakPolarHBondContact O-CG 3.47Å; Q401-L405 PolarHBondContact O-N 3.1Å; Q401-N440 PolarHBondContact NE2-O 3.03Å
402	T	93.5	Very high	93.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-52.4	-45.2	174	-71.5	0	0	0	0	111.9	L345 A371 L398 R399 W406	L345-T402 HydrophobicContact CB-CG2 4.15Å; L345-T402 HydrophobicContact CD2-CG2 3.59Å; L345-T402 HydrophobicContact CG-CG2 4.47Å; L345-T402 WeakPolarHBondContact O-CG2 3.44Å; A371-T402 PolarHBondContact O-OG1 3.42Å; L398-T402 VanDerWaalsContact O-CB 3.26Å; L398-T402 WeakPolarHBondContact O-CB 3.3Å; L398-T402 PolarHBondContact O-N 3.39Å; L398-T402 PolarHBondContact O-OG1 2.92Å; R399-T402 WeakPolarHBondContact O-CB 3.15Å; R399-T402 PolarHBondContact O-N 2.76Å; T402-W406 WeakPolarHBondContact O-CB 3.14Å; T402-W406 PolarHBondContact O-N 3.09Å
403	Q	92	Very high	93.4	Very high	11 Å²	11	27.7 Å²	27.7	5%	0.051	14%	0.141	C	C	.	.	H	α-helix	trans	-72.8	-40.5	-178.6	-67.3	-74.6	-84.5	0	0	112.1	L245 L345 Q346 A348 R399 Q400 Q401 W406 E407	L245-Q403 HydrophobicContact CB-CG 3.64Å; L245-Q403 VanDerWaalsContact CB-OE1 3.28Å; L245-Q403 HydrophobicContact CD2-CG 4.1Å; L345-Q403 PolarHBondContact O-NE2 3.31Å; Q346-Q403 PolarHBondContact O-NE2 3.27Å; Q346-Q403 VanDerWaalsContact O-NE2 3.1Å; A348-Q403 VanDerWaalsContact CA-NE2 3.34Å; A348-Q403 HydrophobicContact CB-CG 3.7Å; R399-Q403 WeakPolarHBondContact O-CG 3.48Å; R399-Q403 PolarHBondContact O-N 3.32Å; Q400-Q403 PolarHBondContact O-N 3.41Å; Q401-Q403 VanDerWaalsContact C-N 3.25Å; Q401-Q403 PolarHBondContact O-N 3.08Å; Q403-W406 PolarHBondContact O-N 2.55Å; Q403-E407 WeakPolarHBondContact O-CB 3.35Å; Q403-E407 WeakPolarHBondContact O-CG 3.45Å; Q403-E407 PolarHBondContact O-N 3.45Å
404	F	93.8	Very high	93.6	Very high	24 Å²	24	24 Å²	24	11%	0.105	12%	0.12	C	C	.	.	H	α-helix	trans	-55.8	-50.9	171	161.4	-104.1	0	0	0	111	Q400 Q401 W406 E407 A408 Y409 N440 S441	Q400-F404 PolarHBondContact O-N 3.15Å; Q401-F404 PolarHBondContact O-N 3.27Å; F404-W406 PolarHBondContact O-N 3.02Å; F404-E407 PolarHBondContact O-N 3.44Å; F404-A408 HydrophobicContact CD2-CB 4.39Å; F404-A408 HydrophobicContact CE2-CB 3.95Å; F404-A408 HydrophobicContact CZ-CB 4.13Å; F404-A408 WeakPolarHBondContact O-CB 3.16Å; F404-A408 PolarHBondContact O-N 3.38Å; F404-Y409 HydrophobicContact CE1-CE2 4.34Å; F404-Y409 HydrophobicContact CZ-CE2 4.36Å; F404-N440 VanDerWaalsContact CE1-C 3.46Å; F404-N440 WeakPolarHBondContact CE1-O 3.35Å; F404-S441 WeakPolarHBondContact CE2-O 3.48Å; F404-S441 VanDerWaalsContact CZ-C 3.48Å; F404-S441 VanDerWaalsContact CZ-O 3.29Å; F404-S441 WeakPolarHBondContact CZ-O 3.22Å
405	L	95.9	Very high	93.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.3	-41	-179.7	-66.3	177.7	0	0	0	112.2	I366 W368 A371 Q401 A408 Y409 F410	I366-L405 HydrophobicContact CD1-CD2 4.14Å; I366-L405 HydrophobicContact CG1-CD2 4.21Å; I366-L405 HydrophobicContact CG2-CD1 3.67Å; I366-L405 HydrophobicContact CG2-CD2 3.97Å; I366-L405 HydrophobicContact CG2-CG 4.49Å; W368-L405 HydrophobicContact CE3-CD1 4.47Å; W368-L405 HydrophobicContact CH2-CD1 4.18Å; W368-L405 HydrophobicContact CZ3-CD1 3.97Å; A371-L405 HydrophobicContact CB-CD1 3.55Å; Q401-L405 HydrophobicContact CG-CD1 4.29Å; Q401-L405 HydrophobicContact CG-CG 4.39Å; Q401-L405 VanDerWaalsContact O-CG 3.31Å; Q401-L405 WeakPolarHBondContact O-CG 3.47Å; Q401-L405 PolarHBondContact O-N 3.1Å; L405-A408 PolarHBondContact O-N 3Å; L405-Y409 HydrophobicContact CD2-CD2 3.92Å; L405-Y409 HydrophobicContact CD2-CE2 3.84Å; L405-Y409 PolarHBondContact O-N 3.36Å; L405-F410 HydrophobicContact CB-CD2 4.38Å; L405-F410 HydrophobicContact CB-CE2 4.24Å; L405-F410 WeakPolarHBondContact O-CD2 3.1Å
406	W	95.3	Very high	94	Very high	6 Å²	6	21.4 Å²	21.4	2%	0.023	11%	0.109	C	C	.	.	I	π-helix	trans	-56.1	-53.2	173.4	171.4	-104.6	0	0	0	110.9	H235 E241 L342 L345 Q346 T402 Q403 F404 A408 F410 S411	H235-W406 AromaticContact CE1-CH2 3.82Å; E241-W406 PolarHBondContact O-NE1 3.23Å; L342-W406 HydrophobicContact CB-CZ3 4.23Å; L342-W406 HydrophobicContact CD2-CZ3 4.42Å; L345-W406 HydrophobicContact CB-CB 4.41Å; L345-W406 HydrophobicContact CB-CE3 4.3Å; Q346-W406 HydrophobicContact CB-CD2 3.95Å; Q346-W406 HydrophobicContact CB-CE3 4.09Å; Q346-W406 HydrophobicContact CB-CH2 3.92Å; Q346-W406 HydrophobicContact CB-CZ2 3.78Å; Q346-W406 HydrophobicContact CB-CZ3 4.08Å; Q346-W406 HydrophobicContact CG-CD2 4.3Å; Q346-W406 HydrophobicContact CG-CH2 4.05Å; Q346-W406 HydrophobicContact CG-CZ2 3.49Å; Q346-W406 VanDerWaalsContact CG-CZ2 3.49Å; T402-W406 WeakPolarHBondContact O-CB 3.14Å; T402-W406 PolarHBondContact O-N 3.09Å; Q403-W406 PolarHBondContact O-N 2.55Å; F404-W406 PolarHBondContact O-N 3.02Å; W406-A408 PolarHBondContact O-N 3.18Å; W406-F410 HydrophobicContact CE3-CB 3.8Å; W406-F410 HydrophobicContact CZ3-CB 4.19Å; W406-F410 WeakPolarHBondContact CZ3-O 3.42Å; W406-F410 CarbonylContact O-C 3.58Å; W406-F410 PolarHBondContact O-N 3.45Å; W406-F410 VanDerWaalsContact O-N 3.11Å; W406-S411 WeakPolarHBondContact O-CB 3.38Å; W406-S411 PolarHBondContact O-N 3.5Å
407	E	92.2	Very high	94.4	Very high	55 Å²	55	19 Å²	19	26%	0.257	10%	0.096	S	C	.	.	I	π-helix	trans	-70.5	-29.8	-177.6	-69.4	-170.4	177.8	0	0	113.3	Q403 F404 K415	Q403-E407 WeakPolarHBondContact O-CB 3.35Å; Q403-E407 WeakPolarHBondContact O-CG 3.45Å; Q403-E407 PolarHBondContact O-N 3.45Å; F404-E407 PolarHBondContact O-N 3.44Å; E407-K415 WeakPolarHBondContact O-CE 3.36Å; E407-K415 PolarHBondContact O-NZ 3.02Å
408	A	93.7	Very high	94.6	Very high	12 Å²	12	17.7 Å²	17.7	10%	0.099	9%	0.085	C	C	.	.	I	π-helix	trans	-80.8	-42	-178.7	0	0	0	0	0	112.1	F404 L405 W406 L446	F404-A408 HydrophobicContact CD2-CB 4.39Å; F404-A408 HydrophobicContact CE2-CB 3.95Å; F404-A408 HydrophobicContact CZ-CB 4.13Å; F404-A408 WeakPolarHBondContact O-CB 3.16Å; F404-A408 PolarHBondContact O-N 3.38Å; L405-A408 PolarHBondContact O-N 3Å; W406-A408 PolarHBondContact O-N 3.18Å; A408-L446 WeakPolarHBondContact O-CD1 3.31Å
409	Y	96.3	Very high	94.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-128.5	-23.5	-164	-51.9	-56.2	0	0	0	115.5	I366 F404 L405 K415 I416 T419 W439 G444 G445 L446	I366-Y409 HydrophobicContact CD1-CD2 4Å; F404-Y409 HydrophobicContact CE1-CE2 4.34Å; F404-Y409 HydrophobicContact CZ-CE2 4.36Å; L405-Y409 HydrophobicContact CD2-CD2 3.92Å; L405-Y409 HydrophobicContact CD2-CE2 3.84Å; L405-Y409 PolarHBondContact O-N 3.36Å; Y409-K415 CarbonylContact O-C 3.56Å; Y409-K415 WeakPolarHBondContact O-CB 2.99Å; Y409-I416 WeakPolarHBondContact O-CG1 3.47Å; Y409-I416 PolarHBondContact O-N 2.03Å; Y409-T419 HydrophobicContact CD1-CG2 3.94Å; Y409-T419 WeakPolarHBondContact CD1-OG1 3.37Å; Y409-T419 HydrophobicContact CG-CG2 4.44Å; Y409-W439 AromaticContact CE1-CE3 3.78Å; Y409-W439 HydrophobicContact CE1-CE3 3.78Å; Y409-W439 AromaticContact CE1-CZ3 3.83Å; Y409-W439 HydrophobicContact CE1-CZ3 3.83Å; Y409-W439 VanDerWaalsContact CE2-O 3.31Å; Y409-W439 WeakPolarHBondContact CE2-O 3.48Å; Y409-W439 AromaticContact CZ-CE3 3.81Å; Y409-W439 WeakPolarHBondContact OH-CA 3.35Å; Y409-W439 PolarHBondContact OH-O 2.92Å; Y409-G444 WeakPolarHBondContact OH-CA 3.36Å; Y409-G445 PolarHBondContact OH-N 3.47Å; Y409-L446 HydrophobicContact CD1-CG 4.37Å; Y409-L446 HydrophobicContact CE1-CG 4.3Å
410	F	96.5	Very high	95.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	I	π-helix	trans	-119.3	-7.5	-165.9	-58	-58.9	0	0	0	115.8	P229 H235 L342 L345 P361 F362 I366 W368 L405 W406 S412 I416	P229-F410 HydrophobicContact CB-CD1 4.31Å; P229-F410 HydrophobicContact CB-CE1 4.32Å; P229-F410 HydrophobicContact CG-CD1 3.77Å; P229-F410 HydrophobicContact CG-CE1 3.94Å; H235-F410 PolarHBondContact CE1-O 3.46Å; H235-F410 PolarHBondContact NE2-O 2.89Å; H235-F410 VanDerWaalsContact NE2-O 3.15Å; L342-F410 HydrophobicContact CD2-CB 3.87Å; L342-F410 HydrophobicContact CD2-CD1 4.14Å; L342-F410 HydrophobicContact CD2-CG 4.05Å; L345-F410 HydrophobicContact CD1-CD2 3.85Å; L345-F410 HydrophobicContact CD1-CE2 4.16Å; P361-F410 HydrophobicContact CB-CE1 3.97Å; P361-F410 HydrophobicContact CB-CZ 4.14Å; F362-F410 AromaticContact CD2-CE1 3.51Å; F362-F410 HydrophobicContact CD2-CE1 3.51Å; F362-F410 AromaticContact CD2-CZ 3.72Å; F362-F410 HydrophobicContact CD2-CZ 3.72Å; F362-F410 HydrophobicContact CE2-CD1 4.2Å; F362-F410 AromaticContact CE2-CE1 3.49Å; F362-F410 HydrophobicContact CE2-CE1 3.49Å; F362-F410 VanDerWaalsContact CE2-CE1 3.49Å; F362-F410 HydrophobicContact CE2-CZ 4.17Å; I366-F410 HydrophobicContact CD1-CE2 3.88Å; I366-F410 HydrophobicContact CD1-CZ 3.67Å; W368-F410 AromaticContact CH2-CE2 3.71Å; W368-F410 HydrophobicContact CH2-CE2 3.71Å; W368-F410 HydrophobicContact CH2-CZ 4.03Å; W368-F410 HydrophobicContact CZ2-CE2 4.01Å; W368-F410 AromaticContact CZ2-CZ 3.87Å; W368-F410 HydrophobicContact CZ2-CZ 3.87Å; L405-F410 HydrophobicContact CB-CD2 4.38Å; L405-F410 HydrophobicContact CB-CE2 4.24Å; L405-F410 WeakPolarHBondContact O-CD2 3.1Å; W406-F410 HydrophobicContact CE3-CB 3.8Å; W406-F410 HydrophobicContact CZ3-CB 4.19Å; W406-F410 WeakPolarHBondContact CZ3-O 3.42Å; W406-F410 CarbonylContact O-C 3.58Å; W406-F410 PolarHBondContact O-N 3.45Å; W406-F410 VanDerWaalsContact O-N 3.11Å; F410-S412 PolarHBondContact O-N 3.32Å; F410-I416 HydrophobicContact CD1-CG1 4.35Å
411	S	94.6	Very high	95.4	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	6%	0.059	C	C	.	.	S	Bend	trans	-70.2	-13	-174.4	77.4	0	0	0	0	114.1	P236 G240 W406 K415	P236-S411 WeakPolarHBondContact CG-O 3.48Å; G240-S411 VanDerWaalsContact CA-O 3.24Å; G240-S411 WeakPolarHBondContact CA-O 3.48Å; W406-S411 WeakPolarHBondContact O-CB 3.38Å; W406-S411 PolarHBondContact O-N 3.5Å; S411-K415 WeakPolarHBondContact OG-CD 2.96Å; S411-K415 WeakPolarHBondContact OG-CE 3.19Å; S411-K415 PolarHBondContact OG-NZ 2.87Å
412	S	95.4	Very high	95.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-154.6	159.1	178.4	60.1	0	0	0	0	112.1	H235 P236 R237 F410 E414 K415 I416	H235-S412 VanDerWaalsContact NE2-CA 3.34Å; H235-S412 WeakPolarHBondContact NE2-CA 3.34Å; H235-S412 PolarHBondContact NE2-N 2.83Å; P236-S412 VanDerWaalsContact O-CA 3.27Å; P236-S412 WeakPolarHBondContact O-CA 3.46Å; P236-S412 VanDerWaalsContact O-CB 3.31Å; P236-S412 WeakPolarHBondContact O-CB 3.43Å; R237-S412 WeakPolarHBondContact O-CB 3.32Å; F410-S412 PolarHBondContact O-N 3.32Å; S412-E414 PolarHBondContact O-N 3.29Å; S412-K415 PolarHBondContact O-N 3.41Å; S412-K415 VanDerWaalsContact O-N 3.13Å; S412-K415 PolarHBondContact OG-N 3.46Å; S412-I416 PolarHBondContact O-N 3.26Å
413	V	95.7	Very high	95.7	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.012	5%	0.053	C	C	.	.	H	α-helix	trans	-55.5	-40.2	172.9	-179.5	0	0	0	0	110.4	N127 I128 F231 P236 K415 I416 V417	N127-V413 HydrophobicContact CB-CG1 4.34Å; I128-V413 HydrophobicContact CG1-CG1 3.82Å; F231-V413 HydrophobicContact CD2-CG2 4.07Å; F231-V413 HydrophobicContact CE2-CG1 4.42Å; F231-V413 HydrophobicContact CE2-CG2 3.83Å; F231-V413 HydrophobicContact CZ-CG1 4.24Å; F231-V413 HydrophobicContact CZ-CG2 4.34Å; P236-V413 PolarHBondContact O-N 3.32Å; V413-K415 VanDerWaalsContact C-N 3.34Å; V413-K415 PolarHBondContact O-N 2.85Å; V413-I416 PolarHBondContact O-N 3.25Å; V413-V417 HydrophobicContact CG1-CG2 4.14Å; V413-V417 WeakPolarHBondContact O-CG2 3.39Å; V413-V417 PolarHBondContact O-N 2.86Å
414	E	95	Very high	95.8	Very high	41 Å²	41	10.3 Å²	10.3	19%	0.192	5%	0.051	C	C	.	.	H	α-helix	trans	-53.3	-48.9	176.6	172	178.9	-133.4	0	0	112.6	T131 R237 T238 S412 I416 V417 L418	T131-E414 HydrophobicContact CG2-CB 4.07Å; T131-E414 HydrophobicContact CG2-CG 4Å; R237-E414 VanDerWaalsContact O-CB 3.22Å; R237-E414 WeakPolarHBondContact O-CB 3.28Å; R237-E414 PolarHBondContact O-N 3.41Å; T238-E414 HydrophobicContact CG2-CB 4.27Å; T238-E414 WeakPolarHBondContact CG2-OE2 3.46Å; S412-E414 PolarHBondContact O-N 3.29Å; E414-I416 PolarHBondContact O-N 2.88Å; E414-V417 PolarHBondContact O-N 2.95Å; E414-L418 HydrophobicContact CG-CD1 3.77Å; E414-L418 HydrophobicContact CG-CG 4.34Å; E414-L418 WeakPolarHBondContact O-CB 3.47Å; E414-L418 VanDerWaalsContact O-CG 3.26Å; E414-L418 WeakPolarHBondContact O-CG 3.38Å; E414-L418 PolarHBondContact O-N 3.05Å
415	K	95.7	Very high	95.8	Very high	37 Å²	37	9.8 Å²	9.8	16%	0.161	5%	0.048	C	C	.	.	H	α-helix	trans	-67.1	-39.4	-178.8	-71.7	177.8	-177.6	173.2	0	112	E407 Y409 S411 S412 V413 V417 T419 L446	E407-K415 WeakPolarHBondContact O-CE 3.36Å; E407-K415 PolarHBondContact O-NZ 3.02Å; Y409-K415 CarbonylContact O-C 3.56Å; Y409-K415 WeakPolarHBondContact O-CB 2.99Å; S411-K415 WeakPolarHBondContact OG-CD 2.96Å; S411-K415 WeakPolarHBondContact OG-CE 3.19Å; S411-K415 PolarHBondContact OG-NZ 2.87Å; S412-K415 PolarHBondContact O-N 3.41Å; S412-K415 VanDerWaalsContact O-N 3.13Å; S412-K415 PolarHBondContact OG-N 3.46Å; V413-K415 VanDerWaalsContact C-N 3.34Å; V413-K415 PolarHBondContact O-N 2.85Å; K415-V417 VanDerWaalsContact C-N 3.35Å; K415-V417 PolarHBondContact O-N 3.14Å; K415-T419 WeakPolarHBondContact O-CB 3.42Å; K415-T419 PolarHBondContact O-N 3.02Å; K415-T419 PolarHBondContact O-OG1 2.91Å; K415-L446 HydrophobicContact CB-CD1 4.33Å; K415-L446 HydrophobicContact CG-CD1 4.16Å
416	I	97.6	Very high	95.7	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-61.6	-46.4	178	-65.9	163.1	0	0	0	110.1	I228 P229 F231 F362 Y409 F410 S412 V413 E414 T420	I228-I416 HydrophobicContact CB-CG2 4.34Å; P229-I416 HydrophobicContact CG-CD1 3.63Å; P229-I416 HydrophobicContact CG-CG1 3.9Å; P229-I416 HydrophobicContact CG-CG2 4.19Å; F231-I416 HydrophobicContact CD1-CD1 3.78Å; F231-I416 HydrophobicContact CE1-CD1 4.24Å; F231-I416 HydrophobicContact CE1-CG2 4.4Å; F231-I416 HydrophobicContact CG-CD1 4.41Å; F362-I416 HydrophobicContact CZ-CG2 4.05Å; F362-I416 WeakPolarHBondContact CZ-O 3.31Å; Y409-I416 WeakPolarHBondContact O-CG1 3.47Å; Y409-I416 PolarHBondContact O-N 2.03Å; F410-I416 HydrophobicContact CD1-CG1 4.35Å; S412-I416 PolarHBondContact O-N 3.26Å; V413-I416 PolarHBondContact O-N 3.25Å; E414-I416 PolarHBondContact O-N 2.88Å; I416-T420 PolarHBondContact O-N 3.15Å; I416-T420 PolarHBondContact O-OG1 3.1Å
417	V	97.6	Very high	95.6	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	6%	0.056	C	C	.	.	H	α-helix	trans	-68.5	-46.9	-179.9	172	0	0	0	0	111.3	I128 T131 I132 F187 V413 E414 K415 T419 T420 L421	I128-V417 HydrophobicContact CB-CG2 4.21Å; I128-V417 HydrophobicContact CG1-CG2 3.94Å; I128-V417 HydrophobicContact CG2-CG2 3.87Å; T131-V417 HydrophobicContact CG2-CB 3.94Å; T131-V417 HydrophobicContact CG2-CG1 3.87Å; I132-V417 HydrophobicContact CD1-CG1 4.3Å; I132-V417 HydrophobicContact CG1-CG1 3.62Å; F187-V417 HydrophobicContact CE1-CG2 4.42Å; F187-V417 HydrophobicContact CZ-CG1 4.49Å; V413-V417 HydrophobicContact CG1-CG2 4.14Å; V413-V417 WeakPolarHBondContact O-CG2 3.39Å; V413-V417 PolarHBondContact O-N 2.86Å; E414-V417 PolarHBondContact O-N 2.95Å; K415-V417 VanDerWaalsContact C-N 3.35Å; K415-V417 PolarHBondContact O-N 3.14Å; V417-T419 VanDerWaalsContact C-N 3.33Å; V417-T419 PolarHBondContact O-N 3.11Å; V417-T420 WeakPolarHBondContact O-CB 3.31Å; V417-T420 PolarHBondContact O-N 3.23Å; V417-L421 WeakPolarHBondContact O-CG 3.49Å; V417-L421 PolarHBondContact O-N 2.96Å
418	L	96.8	Very high	95.5	Very high	26 Å²	26	9.3 Å²	9.3	14%	0.136	5%	0.046	C	C	.	.	H	α-helix	trans	-62	-41.3	177.4	-69.1	177.8	0	0	0	111.5	T131 F137 E414 T420 L421 E422 L446	T131-L418 HydrophobicContact CG2-CG 4.34Å; F137-L418 HydrophobicContact CE2-CD2 4.49Å; E414-L418 HydrophobicContact CG-CD1 3.77Å; E414-L418 HydrophobicContact CG-CG 4.34Å; E414-L418 WeakPolarHBondContact O-CB 3.47Å; E414-L418 VanDerWaalsContact O-CG 3.26Å; E414-L418 WeakPolarHBondContact O-CG 3.38Å; E414-L418 PolarHBondContact O-N 3.05Å; L418-T420 VanDerWaalsContact C-N 3.31Å; L418-T420 PolarHBondContact O-N 2.84Å; L418-L421 PolarHBondContact O-N 3.15Å; L418-E422 WeakPolarHBondContact O-CB 3.5Å; L418-E422 WeakPolarHBondContact O-CG 3.38Å; L418-E422 PolarHBondContact O-N 3.04Å; L418-L446 HydrophobicContact CB-CD2 4.11Å
419	T	97.8	Very high	95.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.4	-42.9	175.2	-55.3	0	0	0	0	111.1	F362 I365 Y409 K415 V417 L421 E422 I423 W439	F362-T419 HydrophobicContact CD1-CG2 4.21Å; F362-T419 HydrophobicContact CD2-CG2 3.84Å; F362-T419 HydrophobicContact CE1-CG2 4.1Å; F362-T419 HydrophobicContact CE2-CG2 3.74Å; F362-T419 HydrophobicContact CG-CG2 4.08Å; F362-T419 HydrophobicContact CZ-CG2 3.87Å; I365-T419 HydrophobicContact CD1-CG2 4.04Å; Y409-T419 HydrophobicContact CD1-CG2 3.94Å; Y409-T419 WeakPolarHBondContact CD1-OG1 3.37Å; Y409-T419 HydrophobicContact CG-CG2 4.44Å; K415-T419 WeakPolarHBondContact O-CB 3.42Å; K415-T419 PolarHBondContact O-N 3.02Å; K415-T419 PolarHBondContact O-OG1 2.91Å; V417-T419 VanDerWaalsContact C-N 3.33Å; V417-T419 PolarHBondContact O-N 3.11Å; T419-L421 VanDerWaalsContact C-N 3.35Å; T419-L421 PolarHBondContact O-N 3.46Å; T419-E422 PolarHBondContact O-N 3.16Å; T419-I423 HydrophobicContact CG2-CD1 4.02Å; T419-I423 WeakPolarHBondContact O-CB 3.34Å; T419-I423 VanDerWaalsContact O-CG1 3.26Å; T419-I423 WeakPolarHBondContact O-CG1 3.38Å; T419-I423 PolarHBondContact O-N 3.28Å; T419-W439 HydrophobicContact CG2-CZ3 4.16Å
420	T	98	Very high	94.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.2	-46	174.9	-56.7	0	0	0	0	111.5	L185 F187 A211 V226 I416 V417 L418 I424	L185-T420 HydrophobicContact CD2-CG2 4.22Å; F187-T420 HydrophobicContact CE1-CG2 4.25Å; F187-T420 HydrophobicContact CZ-CG2 4.42Å; A211-T420 HydrophobicContact CB-CG2 3.97Å; V226-T420 HydrophobicContact CB-CG2 4.19Å; V226-T420 HydrophobicContact CG1-CG2 4.07Å; V226-T420 HydrophobicContact CG2-CG2 4.25Å; I416-T420 PolarHBondContact O-N 3.15Å; I416-T420 PolarHBondContact O-OG1 3.1Å; V417-T420 WeakPolarHBondContact O-CB 3.31Å; V417-T420 PolarHBondContact O-N 3.23Å; L418-T420 VanDerWaalsContact C-N 3.31Å; L418-T420 PolarHBondContact O-N 2.84Å; T420-I424 HydrophobicContact CG2-CD1 4.2Å; T420-I424 VanDerWaalsContact O-CG1 3.28Å; T420-I424 WeakPolarHBondContact O-CG1 3.03Å; T420-I424 PolarHBondContact O-N 2.87Å
421	L	97.1	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.6	-38.2	179.7	-67.1	-177.7	0	0	0	112.8	F108 V110 I132 F137 L147 L185 V417 L418 T419 I424 Q425	F108-L421 HydrophobicContact CE1-CB 4.32Å; F108-L421 WeakPolarHBondContact CE1-O 3.46Å; V110-L421 HydrophobicContact CG2-CD1 4.45Å; V110-L421 HydrophobicContact CG2-CD2 4.04Å; I132-L421 HydrophobicContact CG1-CD1 4.37Å; F137-L421 HydrophobicContact CB-CD1 4.44Å; F137-L421 HydrophobicContact CD2-CB 4.02Å; F137-L421 HydrophobicContact CD2-CD1 3.74Å; F137-L421 HydrophobicContact CE2-CB 4Å; F137-L421 HydrophobicContact CE2-CD1 4.46Å; F137-L421 HydrophobicContact CG-CD1 4.43Å; L147-L421 HydrophobicContact CD2-CD2 3.95Å; L185-L421 HydrophobicContact CD2-CD2 4.33Å; V417-L421 WeakPolarHBondContact O-CG 3.49Å; V417-L421 PolarHBondContact O-N 2.96Å; L418-L421 PolarHBondContact O-N 3.15Å; T419-L421 VanDerWaalsContact C-N 3.35Å; T419-L421 PolarHBondContact O-N 3.46Å; L421-I424 PolarHBondContact O-N 3.29Å; L421-Q425 WeakPolarHBondContact O-CB 3.32Å; L421-Q425 PolarHBondContact O-N 3.28Å
422	E	95.8	Very high	92	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.023	14%	0.142	C	C	.	.	H	α-helix	trans	-67.8	-39	177.5	-67.3	-77.4	-180	0	0	111.8	R136 F137 L418 T419 I424 Q425 D426 R434 W439 L446	R136-E422 IonicContact CZ-OE1 3.25Å; R136-E422 IonicContact NE-OE1 2.66Å; R136-E422 PolarHBondContact NE-OE1 3.33Å; R136-E422 VanDerWaalsContact NH2-CD 3.27Å; R136-E422 IonicContact NH2-OE1 2.98Å; R136-E422 PolarHBondContact NH2-OE1 2.96Å; R136-E422 IonicContact NH2-OE2 2.96Å; R136-E422 PolarHBondContact NH2-OE2 3.06Å; R136-E422 VanDerWaalsContact NH2-OE2 3.08Å; F137-E422 HydrophobicContact CE2-CG 4.39Å; F137-E422 HydrophobicContact CZ-CG 4.24Å; F137-E422 VanDerWaalsContact CZ-OE1 3.29Å; F137-E422 WeakPolarHBondContact CZ-OE1 3.48Å; L418-E422 WeakPolarHBondContact O-CB 3.5Å; L418-E422 WeakPolarHBondContact O-CG 3.38Å; L418-E422 PolarHBondContact O-N 3.04Å; T419-E422 PolarHBondContact O-N 3.16Å; E422-I424 VanDerWaalsContact C-N 3.33Å; E422-I424 PolarHBondContact O-N 3.1Å; E422-Q425 WeakPolarHBondContact O-CB 3.31Å; E422-Q425 PolarHBondContact O-N 3.37Å; E422-Q425 PolarHBondContact OE2-OE1 2.8Å; E422-Q425 VanDerWaalsContact OE2-OE1 3.1Å; E422-D426 PolarHBondContact O-N 3.12Å; E422-R434 VanDerWaalsContact CD-NH2 3.29Å; E422-R434 IonicContact OE1-NH2 3.61Å; E422-R434 IonicContact OE2-CZ 3.98Å; E422-R434 IonicContact OE2-NH1 2.84Å; E422-R434 PolarHBondContact OE2-NH1 3.19Å; E422-R434 IonicContact OE2-NH2 3.3Å; E422-R434 PolarHBondContact OE2-NH2 3.11Å; E422-W439 HydrophobicContact CB-CH2 3.75Å; E422-W439 HydrophobicContact CB-CZ2 4.43Å; E422-L446 HydrophobicContact CG-CD2 3.92Å
423	I	96.1	Very high	91.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-57.5	-48	171.2	-74.8	167.5	0	0	0	110.3	V226 F362 E364 I365 T419 Q425 D426 R427 W439	V226-I423 HydrophobicContact CG1-CD1 4.19Å; V226-I423 HydrophobicContact CG2-CG2 4.17Å; F362-I423 HydrophobicContact CB-CD1 4.14Å; F362-I423 HydrophobicContact CD1-CD1 3.42Å; F362-I423 VanDerWaalsContact CD1-CD1 3.42Å; F362-I423 HydrophobicContact CE1-CD1 4.06Å; F362-I423 HydrophobicContact CG-CD1 4.01Å; E364-I423 VanDerWaalsContact CD-CG2 3.41Å; E364-I423 HydrophobicContact CG-CG2 4.44Å; E364-I423 WeakPolarHBondContact OE1-CG2 3.41Å; E364-I423 WeakPolarHBondContact OE2-CG2 3.22Å; I365-I423 HydrophobicContact CD1-CD1 3.98Å; I365-I423 HydrophobicContact CD1-CG1 4.2Å; I365-I423 HydrophobicContact CG1-CD1 3.91Å; I365-I423 HydrophobicContact CG1-CG1 4.21Å; I365-I423 HydrophobicContact CG2-CG1 4.12Å; T419-I423 HydrophobicContact CG2-CD1 4.02Å; T419-I423 WeakPolarHBondContact O-CB 3.34Å; T419-I423 VanDerWaalsContact O-CG1 3.26Å; T419-I423 WeakPolarHBondContact O-CG1 3.38Å; T419-I423 PolarHBondContact O-N 3.28Å; I423-Q425 VanDerWaalsContact C-N 3.32Å; I423-Q425 PolarHBondContact O-N 3.02Å; I423-D426 PolarHBondContact O-N 2.85Å; I423-R427 WeakPolarHBondContact O-CG 3.38Å; I423-R427 PolarHBondContact O-N 3.01Å; I423-R427 VanDerWaalsContact O-N 3.15Å; I423-W439 HydrophobicContact CG1-CH2 4.47Å; I423-W439 HydrophobicContact CG1-CZ2 4.49Å
424	I	95.8	Very high	91.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.4	-39.6	179	-62.5	166.3	0	0	0	110.4	F108 L147 L185 M209 V226 T420 L421 E422 D426 R427 V428	F108-I424 HydrophobicContact CE2-CB 4.41Å; F108-I424 HydrophobicContact CE2-CG2 3.7Å; F108-I424 HydrophobicContact CZ-CB 4.02Å; F108-I424 HydrophobicContact CZ-CG2 3.75Å; L147-I424 HydrophobicContact CD2-CD1 4.19Å; L185-I424 HydrophobicContact CD1-CD1 4.06Å; L185-I424 HydrophobicContact CD2-CD1 3.81Å; M209-I424 HydrophobicContact CE-CG1 4.35Å; M209-I424 HydrophobicContact CE-CG2 4.42Å; M209-I424 HydrophobicContact SD-CD1 3.49Å; M209-I424 WeakPolarHBondContact SD-CD1 3.38Å; M209-I424 HydrophobicContact SD-CG1 3.62Å; V226-I424 HydrophobicContact CG2-CD1 4.47Å; V226-I424 HydrophobicContact CG2-CG1 4.2Å; T420-I424 HydrophobicContact CG2-CD1 4.2Å; T420-I424 VanDerWaalsContact O-CG1 3.28Å; T420-I424 WeakPolarHBondContact O-CG1 3.03Å; T420-I424 PolarHBondContact O-N 2.87Å; L421-I424 PolarHBondContact O-N 3.29Å; E422-I424 VanDerWaalsContact C-N 3.33Å; E422-I424 PolarHBondContact O-N 3.1Å; I424-D426 PolarHBondContact O-N 3.13Å; I424-R427 PolarHBondContact O-N 2.76Å; I424-V428 HydrophobicContact CG2-CG2 4.44Å; I424-V428 WeakPolarHBondContact O-CG2 3.49Å; I424-V428 PolarHBondContact O-N 3.14Å
425	Q	93.8	Very high	91.2	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-45.9	175.2	-177.4	175.4	31.2	0	0	111.6	F108 L421 E422 I423 R427 V428 L429	F108-Q425 HydrophobicContact CB-CB 4.45Å; F108-Q425 HydrophobicContact CB-CG 3.94Å; F108-Q425 HydrophobicContact CD1-CB 3.71Å; F108-Q425 HydrophobicContact CD1-CG 4.04Å; F108-Q425 HydrophobicContact CE1-CB 4.01Å; F108-Q425 HydrophobicContact CG-CB 3.98Å; F108-Q425 HydrophobicContact CG-CG 4.01Å; L421-Q425 WeakPolarHBondContact O-CB 3.32Å; L421-Q425 PolarHBondContact O-N 3.28Å; E422-Q425 WeakPolarHBondContact O-CB 3.31Å; E422-Q425 PolarHBondContact O-N 3.37Å; E422-Q425 PolarHBondContact OE2-OE1 2.8Å; E422-Q425 VanDerWaalsContact OE2-OE1 3.1Å; I423-Q425 VanDerWaalsContact C-N 3.32Å; I423-Q425 PolarHBondContact O-N 3.02Å; Q425-R427 VanDerWaalsContact C-N 3.27Å; Q425-R427 PolarHBondContact O-N 2.89Å; Q425-V428 PolarHBondContact O-N 2.92Å; Q425-V428 VanDerWaalsContact O-N 3.1Å; Q425-L429 HydrophobicContact CG-CD1 3.8Å; Q425-L429 HydrophobicContact CG-CG 4.38Å; Q425-L429 WeakPolarHBondContact O-CB 3.21Å; Q425-L429 PolarHBondContact O-N 3.37Å
426	D	93.2	Very high	91	Very high	15 Å²	15	34.4 Å²	34.4	8%	0.08	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-35.6	179.2	-78.4	5.9	0	0	0	111.4	E422 I423 I424 L429 R434 W439	E422-D426 PolarHBondContact O-N 3.12Å; I423-D426 PolarHBondContact O-N 2.85Å; I424-D426 PolarHBondContact O-N 3.13Å; D426-L429 CarbonylContact O-C 3.5Å; D426-R434 IonicContact OD1-CZ 2.91Å; D426-R434 IonicContact OD1-NH1 3.27Å; D426-R434 PolarHBondContact OD1-NH1 3.27Å; D426-R434 VanDerWaalsContact OD2-CB 3.31Å; D426-R434 WeakPolarHBondContact OD2-CB 3.41Å; D426-R434 PolarHBondContact OD2-N 2.89Å; D426-R434 IonicContact OD2-NH1 3.85Å; D426-W439 WeakPolarHBondContact OD2-CZ2 3.28Å
427	R	92.4	Very high	90.7	Very high	25 Å²	25	36.8 Å²	36.8	9%	0.094	20%	0.203	C	C	.	.	H	α-helix	trans	-69.7	-32.6	173.9	-63.4	168.5	-174.9	-179.5	-5	113	M94 F224 D225 E364 I423 I424 Q425	M94-R427 HydrophobicContact CE-CB 3.94Å; M94-R427 HydrophobicContact CG-CB 4.47Å; M94-R427 HydrophobicContact SD-CB 4.44Å; F224-R427 VanDerWaalsContact C-NH1 3.29Å; F224-R427 PolarHBondContact O-NH1 2.82Å; D225-R427 PolarHBondContact O-NH2 2.9Å; E364-R427 IonicContact OE1-CZ 3.29Å; E364-R427 IonicContact OE1-NH2 3.01Å; E364-R427 PolarHBondContact OE1-NH2 2.93Å; E364-R427 IonicContact OE2-CZ 3.36Å; E364-R427 VanDerWaalsContact OE2-CZ 3.25Å; E364-R427 IonicContact OE2-NE 2.92Å; E364-R427 PolarHBondContact OE2-NE 2.58Å; E364-R427 IonicContact OE2-NH2 3.83Å; E364-R427 PolarHBondContact OE2-NH2 2.7Å; I423-R427 WeakPolarHBondContact O-CG 3.38Å; I423-R427 PolarHBondContact O-N 3.01Å; I423-R427 VanDerWaalsContact O-N 3.15Å; I424-R427 PolarHBondContact O-N 2.76Å; Q425-R427 VanDerWaalsContact C-N 3.27Å; Q425-R427 PolarHBondContact O-N 2.89Å
428	V	91.5	Very high	90.5	Very high	10 Å²	10	37.1 Å²	37.1	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-78.5	-37.9	179	168.3	0	0	0	0	111.5	M94 F98 F100 C103 F108 I424 Q425	M94-V428 HydrophobicContact CE-CG2 4.1Å; F98-V428 HydrophobicContact CD1-CG2 4.4Å; F98-V428 HydrophobicContact CE1-CG2 3.61Å; F98-V428 HydrophobicContact CZ-CG2 3.83Å; F100-V428 HydrophobicContact CD1-CB 4.48Å; F100-V428 HydrophobicContact CD1-CG1 4.27Å; F100-V428 HydrophobicContact CD1-CG2 4.39Å; F100-V428 HydrophobicContact CE1-CG2 4.4Å; C103-V428 HydrophobicContact CB-CG1 3.37Å; C103-V428 VanDerWaalsContact SG-CG1 3.57Å; F108-V428 HydrophobicContact CD2-CB 4.49Å; F108-V428 HydrophobicContact CD2-CG1 4.49Å; F108-V428 HydrophobicContact CD2-CG2 4.34Å; F108-V428 HydrophobicContact CE2-CG2 4.37Å; I424-V428 HydrophobicContact CG2-CG2 4.44Å; I424-V428 WeakPolarHBondContact O-CG2 3.49Å; I424-V428 PolarHBondContact O-N 3.14Å; Q425-V428 PolarHBondContact O-N 2.92Å; Q425-V428 VanDerWaalsContact O-N 3.1Å
429	L	85.7	Confident	90.4	Very high	57 Å²	57	36 Å²	36	30%	0.298	20%	0.199	S	C	.	.	S	Bend	trans	-108.3	61.5	-176.9	-58.8	178.5	0	0	0	110.1	Q425 D426 H431 G432 S433	Q425-L429 HydrophobicContact CG-CD1 3.8Å; Q425-L429 HydrophobicContact CG-CG 4.38Å; Q425-L429 WeakPolarHBondContact O-CB 3.21Å; Q425-L429 PolarHBondContact O-N 3.37Å; D426-L429 CarbonylContact O-C 3.5Å; L429-H431 PolarHBondContact O-N 2.89Å; L429-G432 CarbonylContact O-C 3.27Å; L429-G432 PolarHBondContact O-N 3.38Å; L429-S433 PolarHBondContact O-N 3.48Å
430	E	75.1	Confident	90.3	Very high	137 Å²	137	36.9 Å²	36.9	64%	0.64	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-48.9	-38.6	-172.7	-66.9	-176.6	166	0	0	113.8	G432 S433	E430-G432 PolarHBondContact O-N 3.18Å; E430-S433 PolarHBondContact O-N 2.81Å; E430-S433 PolarHBondContact O-OG 2.89Å
431	H	71.2	Confident	90	Very high	197 Å²	197	38.4 Å²	38.4	91%	0.912	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-70.2	-14.4	-178.2	-64	73.5	0	0	0	114	L429	L429-H431 PolarHBondContact O-N 2.89Å
432	G	75.3	Confident	89.8	Confident	28 Å²	28	42.1 Å²	42.1	29%	0.289	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-127.5	32.2	178.2	0	0	0	0	0	111.8	L429 E430 P450	L429-G432 CarbonylContact O-C 3.27Å; L429-G432 PolarHBondContact O-N 3.38Å; E430-G432 PolarHBondContact O-N 3.18Å; G432-P450 WeakPolarHBondContact O-CB 3.4Å; G432-P450 WeakPolarHBondContact O-CG 3.43Å
433	S	86.1	Confident	89.6	Confident	66 Å²	66	42.2 Å²	42.2	46%	0.462	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-73.9	146.8	176.6	55.6	0	0	0	0	111.4	L429 E430	L429-S433 PolarHBondContact O-N 3.48Å; E430-S433 PolarHBondContact O-N 2.81Å; E430-S433 PolarHBondContact O-OG 2.89Å
434	R	92	Very high	89.5	Confident	14 Å²	14	42.1 Å²	42.1	5%	0.053	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-75.7	142.9	177.3	-66.6	169.8	175.8	91.2	-13	110.5	E422 D426 M438 W439 G445 A448 P450	E422-R434 VanDerWaalsContact CD-NH2 3.29Å; E422-R434 IonicContact OE1-NH2 3.61Å; E422-R434 IonicContact OE2-CZ 3.98Å; E422-R434 IonicContact OE2-NH1 2.84Å; E422-R434 PolarHBondContact OE2-NH1 3.19Å; E422-R434 IonicContact OE2-NH2 3.3Å; E422-R434 PolarHBondContact OE2-NH2 3.11Å; D426-R434 IonicContact OD1-CZ 2.91Å; D426-R434 IonicContact OD1-NH1 3.27Å; D426-R434 PolarHBondContact OD1-NH1 3.27Å; D426-R434 VanDerWaalsContact OD2-CB 3.31Å; D426-R434 WeakPolarHBondContact OD2-CB 3.41Å; D426-R434 PolarHBondContact OD2-N 2.89Å; D426-R434 IonicContact OD2-NH1 3.85Å; R434-M438 HydrophobicContact CB-CB 4.15Å; R434-M438 HydrophobicContact CB-CE 4.39Å; R434-M438 HydrophobicContact CB-SD 3.97Å; R434-M438 HydrophobicContact CG-CE 3.92Å; R434-M438 HydrophobicContact CG-SD 4.15Å; R434-W439 HydrophobicContact CB-CZ2 4.42Å; R434-G445 PolarHBondContact NE-O 3.45Å; R434-G445 PolarHBondContact NH2-O 2.86Å; R434-G445 VanDerWaalsContact NH2-O 3.14Å; R434-A448 PolarHBondContact NE-O 3.21Å; R434-P450 HydrophobicContact CG-CB 4.18Å; R434-P450 HydrophobicContact CG-CG 3.89Å
435	S	90.9	Very high	89.4	Confident	45 Å²	45	42.1 Å²	42.1	32%	0.315	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-72.2	158.8	173.3	69.9	0	0	0	0	111.9	L437 M438 W439	S435-L437 PolarHBondContact O-N 3.13Å; S435-M438 WeakPolarHBondContact O-CB 3.44Å; S435-M438 PolarHBondContact O-N 3.48Å; S435-M438 WeakPolarHBondContact OG-CG 3.42Å; S435-M438 PolarHBondContact OG-N 3.44Å; S435-W439 PolarHBondContact O-N 2.97Å
436	S	90.9	Very high	89.4	Confident	79 Å²	79	42 Å²	42	55%	0.552	23%	0.232	S	C	*	.	H	α-helix	trans	-55.1	-34.4	173	177.6	0	0	0	0	112.5	M438 W439 N440	S436-M438 VanDerWaalsContact C-N 3.31Å; S436-M438 PolarHBondContact O-N 2.64Å; S436-W439 PolarHBondContact O-N 3.39Å; S436-N440 WeakPolarHBondContact O-CB 3.02Å; S436-N440 PolarHBondContact O-N 3.36Å; S436-N440 PolarHBondContact O-ND2 2.88Å; S436-N440 PolarHBondContact OG-ND2 2.77Å
437	L	91.8	Very high	89.4	Confident	52 Å²	52	42.5 Å²	42.5	27%	0.272	23%	0.233	S	C	.	.	H	α-helix	trans	-62.1	-39.5	175.6	-169.5	72.7	0	0	0	111.5	S435 W439 N440 S441 L456 Y462	S435-L437 PolarHBondContact O-N 3.13Å; L437-W439 VanDerWaalsContact C-N 3.29Å; L437-W439 PolarHBondContact O-N 3.31Å; L437-N440 PolarHBondContact O-N 3.32Å; L437-S441 VanDerWaalsContact CD1-OG 3.23Å; L437-S441 WeakPolarHBondContact CD1-OG 3.28Å; L437-S441 WeakPolarHBondContact O-CB 3.42Å; L437-S441 PolarHBondContact O-N 2.92Å; L437-S441 PolarHBondContact O-OG 2.89Å; L437-L456 HydrophobicContact CB-CD1 4.44Å; L437-L456 HydrophobicContact CD2-CD1 3.86Å; L437-Y462 HydrophobicContact CD2-CD1 4.16Å; L437-Y462 HydrophobicContact CD2-CE1 4.43Å; L437-Y462 HydrophobicContact CG-CE1 4.44Å
438	M	93.6	Very high	89.4	Confident	8 Å²	8	41.3 Å²	41.3	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-65.8	-33.5	178.8	-65	169.1	79.7	0	0	112.8	R434 S435 S436 G444 G445 A448 L456 F459 Y462	R434-M438 HydrophobicContact CB-CB 4.15Å; R434-M438 HydrophobicContact CB-CE 4.39Å; R434-M438 HydrophobicContact CB-SD 3.97Å; R434-M438 HydrophobicContact CG-CE 3.92Å; R434-M438 HydrophobicContact CG-SD 4.15Å; S435-M438 WeakPolarHBondContact O-CB 3.44Å; S435-M438 PolarHBondContact O-N 3.48Å; S435-M438 WeakPolarHBondContact OG-CG 3.42Å; S435-M438 PolarHBondContact OG-N 3.44Å; S436-M438 VanDerWaalsContact C-N 3.31Å; S436-M438 PolarHBondContact O-N 2.64Å; M438-G444 CarbonylContact O-C 3.45Å; M438-G444 WeakPolarHBondContact O-CA 3.33Å; M438-G445 PolarHBondContact O-N 3Å; M438-G445 VanDerWaalsContact O-N 3.07Å; M438-A448 HydrophobicContact CB-CB 4.32Å; M438-A448 HydrophobicContact CE-CB 3.46Å; M438-A448 VanDerWaalsContact CE-CB 3.46Å; M438-A448 VanDerWaalsContact CE-O 3.26Å; M438-A448 WeakPolarHBondContact CE-O 3.37Å; M438-A448 HydrophobicContact CG-CB 4.39Å; M438-L456 HydrophobicContact CG-CD2 3.52Å; M438-L456 HydrophobicContact SD-CD2 3.75Å; M438-F459 HydrophobicContact CE-CE2 4.49Å; M438-F459 HydrophobicContact CE-CZ 4.2Å; M438-Y462 VanDerWaalsContact CA-OH 3.27Å; M438-Y462 WeakPolarHBondContact CA-OH 3.4Å; M438-Y462 HydrophobicContact CG-CE2 3.99Å
439	W	95.1	Very high	89.4	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-77.8	-33.3	175.9	-69.9	115.2	0	0	0	112.8	I365 Y409 T419 E422 I423 D426 R434 S435 S436 L437	I365-W439 HydrophobicContact CB-CB 4.05Å; I365-W439 HydrophobicContact CB-CD2 3.94Å; I365-W439 HydrophobicContact CB-CG 3.67Å; I365-W439 HydrophobicContact CD1-CB 4.36Å; I365-W439 HydrophobicContact CD1-CD2 3.55Å; I365-W439 HydrophobicContact CD1-CE3 3.31Å; I365-W439 HydrophobicContact CD1-CG 4.04Å; I365-W439 HydrophobicContact CD1-CH2 4.34Å; I365-W439 HydrophobicContact CD1-CZ3 3.75Å; I365-W439 HydrophobicContact CG1-CD2 4.35Å; I365-W439 HydrophobicContact CG1-CG 4.48Å; I365-W439 HydrophobicContact CG2-CD2 3.98Å; I365-W439 HydrophobicContact CG2-CG 3.91Å; I365-W439 HydrophobicContact CG2-CZ2 4.33Å; I365-W439 WeakPolarHBondContact O-CB 3.29Å; Y409-W439 AromaticContact CE1-CE3 3.78Å; Y409-W439 HydrophobicContact CE1-CE3 3.78Å; Y409-W439 AromaticContact CE1-CZ3 3.83Å; Y409-W439 HydrophobicContact CE1-CZ3 3.83Å; Y409-W439 VanDerWaalsContact CE2-O 3.31Å; Y409-W439 WeakPolarHBondContact CE2-O 3.48Å; Y409-W439 AromaticContact CZ-CE3 3.81Å; Y409-W439 WeakPolarHBondContact OH-CA 3.35Å; Y409-W439 PolarHBondContact OH-O 2.92Å; T419-W439 HydrophobicContact CG2-CZ3 4.16Å; E422-W439 HydrophobicContact CB-CH2 3.75Å; E422-W439 HydrophobicContact CB-CZ2 4.43Å; I423-W439 HydrophobicContact CG1-CH2 4.47Å; I423-W439 HydrophobicContact CG1-CZ2 4.49Å; D426-W439 WeakPolarHBondContact OD2-CZ2 3.28Å; R434-W439 HydrophobicContact CB-CZ2 4.42Å; S435-W439 PolarHBondContact O-N 2.97Å; S436-W439 PolarHBondContact O-N 3.39Å; L437-W439 VanDerWaalsContact C-N 3.29Å; L437-W439 PolarHBondContact O-N 3.31Å
440	N	94.6	Very high	89.6	Confident	18 Å²	18	38.8 Å²	38.8	10%	0.096	22%	0.216	C	C	.	.	H	α-helix	trans	-105.5	1.5	-171.2	-66.9	-80.7	0	0	0	114.7	I365 I366 D367 Q401 F404 S436 L437	I365-N440 PolarHBondContact O-ND2 3.49Å; I366-N440 WeakPolarHBondContact CA-OD1 3.16Å; D367-N440 PolarHBondContact N-OD1 3.18Å; Q401-N440 PolarHBondContact NE2-O 3.03Å; F404-N440 VanDerWaalsContact CE1-C 3.46Å; F404-N440 WeakPolarHBondContact CE1-O 3.35Å; S436-N440 WeakPolarHBondContact O-CB 3.02Å; S436-N440 PolarHBondContact O-N 3.36Å; S436-N440 PolarHBondContact O-ND2 2.88Å; S436-N440 PolarHBondContact OG-ND2 2.77Å; L437-N440 PolarHBondContact O-N 3.32Å
441	S	92.8	Very high	90.3	Very high	31 Å²	31	36.1 Å²	36.1	22%	0.217	20%	0.204	C	C	.	.	S	Bend	trans	-124.3	155.3	177.1	-61.2	0	0	0	0	112	F404 L437 G444	F404-S441 WeakPolarHBondContact CE2-O 3.48Å; F404-S441 VanDerWaalsContact CZ-C 3.48Å; F404-S441 VanDerWaalsContact CZ-O 3.29Å; F404-S441 WeakPolarHBondContact CZ-O 3.22Å; L437-S441 VanDerWaalsContact CD1-OG 3.23Å; L437-S441 WeakPolarHBondContact CD1-OG 3.28Å; L437-S441 WeakPolarHBondContact O-CB 3.42Å; L437-S441 PolarHBondContact O-N 2.92Å; L437-S441 PolarHBondContact O-OG 2.89Å; S441-G444 WeakPolarHBondContact O-CA 3.48Å; S441-G444 PolarHBondContact O-N 3.39Å
442	H	91.2	Very high	91.3	Very high	78 Å²	78	29.1 Å²	29.1	36%	0.361	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	135	175.8	-157.1	72.2	0	0	0	111.2	V658 T659	H442-V658 PolarHBondContact NE2-O 2.8Å; H442-T659 VanDerWaalsContact NE2-C 3.31Å; H442-T659 PolarHBondContact NE2-O 3.39Å
443	P	93.4	Very high	92	Very high	7 Å²	7	29 Å²	29	5%	0.045	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.6	3.5	9.3	38.1	-39.3	0	0	0	115.4	F447 F461 V658	P443-F447 HydrophobicContact CB-CB 4.04Å; P443-F447 HydrophobicContact CB-CD2 4.29Å; P443-F447 HydrophobicContact CG-CB 3.81Å; P443-F461 VanDerWaalsContact CD-CE2 3.46Å; P443-F461 VanDerWaalsContact CD-CG 3.49Å; P443-F461 HydrophobicContact CG-CD1 4.16Å; P443-F461 HydrophobicContact CG-CD2 4.29Å; P443-F461 HydrophobicContact CG-CE1 4Å; P443-F461 HydrophobicContact CG-CE2 4.1Å; P443-F461 HydrophobicContact CG-CG 4.3Å; P443-F461 HydrophobicContact CG-CZ 3.95Å; P443-V658 HydrophobicContact CB-CG1 3.82Å; P443-V658 WeakPolarHBondContact CB-O 3.1Å; P443-V658 HydrophobicContact CG-CG1 3.9Å
444	G	93.7	Very high	92	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	18%	0.182	C	C	.	.			trans	91.1	165.5	-172.8	0	0	0	0	0	114	Y409 M438 S441 L446 F447 A448	Y409-G444 WeakPolarHBondContact OH-CA 3.36Å; M438-G444 CarbonylContact O-C 3.45Å; M438-G444 WeakPolarHBondContact O-CA 3.33Å; S441-G444 WeakPolarHBondContact O-CA 3.48Å; S441-G444 PolarHBondContact O-N 3.39Å; G444-L446 VanDerWaalsContact C-N 3.27Å; G444-L446 PolarHBondContact O-N 2.85Å; G444-F447 PolarHBondContact O-N 3.16Å; G444-A448 PolarHBondContact O-N 3.46Å
445	G	93.1	Very high	92	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.3	-171.4	0	0	0	0	0	114.5	Y409 R434 M438 F447	Y409-G445 PolarHBondContact OH-N 3.47Å; R434-G445 PolarHBondContact NE-O 3.45Å; R434-G445 PolarHBondContact NH2-O 2.86Å; R434-G445 VanDerWaalsContact NH2-O 3.14Å; M438-G445 PolarHBondContact O-N 3Å; M438-G445 VanDerWaalsContact O-N 3.07Å; G445-F447 VanDerWaalsContact C-N 3.29Å; G445-F447 PolarHBondContact O-N 2.88Å
446	L	93.2	Very high	92	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.058	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-31.3	177	-61.4	-174.6	0	0	0	112.7	A408 Y409 K415 L418 E422 G444 Y631	A408-L446 WeakPolarHBondContact O-CD1 3.31Å; Y409-L446 HydrophobicContact CD1-CG 4.37Å; Y409-L446 HydrophobicContact CE1-CG 4.3Å; K415-L446 HydrophobicContact CB-CD1 4.33Å; K415-L446 HydrophobicContact CG-CD1 4.16Å; L418-L446 HydrophobicContact CB-CD2 4.11Å; E422-L446 HydrophobicContact CG-CD2 3.92Å; G444-L446 VanDerWaalsContact C-N 3.27Å; G444-L446 PolarHBondContact O-N 2.85Å; L446-Y631 WeakPolarHBondContact O-CE2 3.44Å
447	F	93.5	Very high	92	Very high	24 Å²	24	31.4 Å²	31.4	11%	0.105	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-11.8	-179.3	-67	-64.3	0	0	0	113.8	P443 G444 G445 Y623 Y631 V658	P443-F447 HydrophobicContact CB-CB 4.04Å; P443-F447 HydrophobicContact CB-CD2 4.29Å; P443-F447 HydrophobicContact CG-CB 3.81Å; G444-F447 PolarHBondContact O-N 3.16Å; G445-F447 VanDerWaalsContact C-N 3.29Å; G445-F447 PolarHBondContact O-N 2.88Å; F447-Y623 PolarHBondContact O-OH 2.73Å; F447-Y631 HydrophobicContact CD1-CE1 4.21Å; F447-Y631 HydrophobicContact CD1-CE2 4.07Å; F447-Y631 AromaticContact CD1-CZ 3.85Å; F447-Y631 AromaticContact CE1-CE1 3.69Å; F447-Y631 HydrophobicContact CE1-CE1 3.69Å; F447-Y631 HydrophobicContact CE1-CE2 4.14Å; F447-Y631 AromaticContact CE1-CZ 3.45Å; F447-Y631 VanDerWaalsContact CE1-CZ 3.45Å; F447-Y631 VanDerWaalsContact CE1-OH 3.31Å; F447-Y631 WeakPolarHBondContact CE1-OH 3.2Å; F447-V658 HydrophobicContact CB-CG1 4.18Å; F447-V658 HydrophobicContact CB-CG2 4.21Å; F447-V658 HydrophobicContact CD1-CG2 3.61Å; F447-V658 HydrophobicContact CE1-CG2 4.08Å; F447-V658 HydrophobicContact CG-CB 4.47Å; F447-V658 HydrophobicContact CG-CG2 3.93Å
448	A	92.9	Very high	92	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-96.6	92.4	174.2	0	0	0	0	0	108.9	R434 M438 G444 P450 F461	R434-A448 PolarHBondContact NE-O 3.21Å; M438-A448 HydrophobicContact CB-CB 4.32Å; M438-A448 HydrophobicContact CE-CB 3.46Å; M438-A448 VanDerWaalsContact CE-CB 3.46Å; M438-A448 VanDerWaalsContact CE-O 3.26Å; M438-A448 WeakPolarHBondContact CE-O 3.37Å; M438-A448 HydrophobicContact CG-CB 4.39Å; G444-A448 PolarHBondContact O-N 3.46Å; A448-P450 WeakPolarHBondContact O-CD 3.5Å; A448-F461 HydrophobicContact CB-CE2 4.07Å; A448-F461 HydrophobicContact CB-CZ 4.03Å
449	L	92.1	Very high	92.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.			trans	-85.3	116.8	-174.7	-63.2	-173.5	0	0	0	110.4	Q451 Y452 Y623 F626 L627	L449-Q451 PolarHBondContact O-N 3.26Å; L449-Y452 WeakPolarHBondContact O-CB 3.38Å; L449-Y452 PolarHBondContact O-N 3.02Å; L449-Y623 PolarHBondContact N-OH 3.14Å; L449-F626 HydrophobicContact CB-CE1 3.98Å; L449-F626 HydrophobicContact CD1-CD1 4.16Å; L449-F626 HydrophobicContact CD1-CE1 3.78Å; L449-L627 HydrophobicContact CD1-CD2 3.78Å; L449-L627 HydrophobicContact CG-CD2 3.99Å
450	P	89.9	Confident	92	Very high	15 Å²	15	30.5 Å²	30.5	10%	0.097	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.5	-177.4	30.4	-36.9	0	0	0	112.7	G432 R434 A448 Y452	G432-P450 WeakPolarHBondContact O-CB 3.4Å; G432-P450 WeakPolarHBondContact O-CG 3.43Å; R434-P450 HydrophobicContact CG-CB 4.18Å; R434-P450 HydrophobicContact CG-CG 3.89Å; A448-P450 WeakPolarHBondContact O-CD 3.5Å; P450-Y452 PolarHBondContact O-N 3.33Å
451	Q	89.9	Confident	91.9	Very high	81 Å²	81	31 Å²	31	38%	0.379	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.1	174.3	-58.8	83.7	28.1	0	0	113	L449 F626	L449-Q451 PolarHBondContact O-N 3.26Å; Q451-F626 HydrophobicContact CB-CE1 4.43Å; Q451-F626 HydrophobicContact CB-CZ 3.88Å
452	Y	91.8	Very high	91.9	Very high	50 Å²	50	29.6 Å²	29.6	20%	0.196	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-52.6	177.8	175.7	-111.6	0	0	0	112	L449 P450 D458 F459 R622 Y623 F626	L449-Y452 WeakPolarHBondContact O-CB 3.38Å; L449-Y452 PolarHBondContact O-N 3.02Å; P450-Y452 PolarHBondContact O-N 3.33Å; Y452-D458 HydrophobicContact CE1-CB 4.05Å; Y452-F459 HydrophobicContact CD1-CD1 4.24Å; Y452-F459 AromaticContact CD1-CE1 3.82Å; Y452-F459 HydrophobicContact CD1-CE1 3.82Å; Y452-F459 AromaticContact CD1-CZ 3.98Å; Y452-F459 HydrophobicContact CD1-CZ 3.98Å; Y452-R622 WeakPolarHBondContact OH-CD 3.3Å; Y452-R622 WeakPolarHBondContact OH-CG 3.17Å; Y452-R622 PolarHBondContact OH-NE 3.18Å; Y452-R622 VanDerWaalsContact OH-NE 3.09Å; Y452-Y623 AromaticContact CD1-CD2 3.34Å; Y452-Y623 HydrophobicContact CD1-CD2 3.34Å; Y452-Y623 AromaticContact CD1-CE2 3.7Å; Y452-Y623 HydrophobicContact CD1-CE2 3.7Å; Y452-Y623 HydrophobicContact CD1-CG 4.38Å; Y452-Y623 AromaticContact CD2-CD2 3.91Å; Y452-Y623 HydrophobicContact CD2-CD2 3.91Å; Y452-Y623 HydrophobicContact CD2-CE2 4.36Å; Y452-Y623 AromaticContact CE1-CD2 3.61Å; Y452-Y623 HydrophobicContact CE1-CD2 3.61Å; Y452-Y623 HydrophobicContact CE1-CE2 4.41Å; Y452-Y623 HydrophobicContact CE1-CG 4.3Å; Y452-Y623 HydrophobicContact CE2-CD2 4.16Å; Y452-Y623 AromaticContact CG-CD2 3.49Å; Y452-Y623 HydrophobicContact CG-CD2 3.49Å; Y452-Y623 VanDerWaalsContact CG-CD2 3.49Å; Y452-Y623 AromaticContact CG-CE2 3.66Å; Y452-Y623 HydrophobicContact CG-CE2 3.66Å; Y452-F626 HydrophobicContact CD2-CB 3.76Å; Y452-F626 HydrophobicContact CD2-CD1 4.16Å; Y452-F626 AromaticContact CD2-CD2 3.82Å; Y452-F626 HydrophobicContact CD2-CD2 3.82Å; Y452-F626 HydrophobicContact CD2-CE2 4.47Å; Y452-F626 AromaticContact CD2-CG 3.63Å; Y452-F626 HydrophobicContact CD2-CG 3.63Å; Y452-F626 HydrophobicContact CE2-CB 4.21Å; Y452-F626 HydrophobicContact CG-CD1 4.33Å; Y452-F626 HydrophobicContact CG-CG 4.26Å
453	S	90.4	Very high	92	Very high	25 Å²	25	26.3 Å²	26.3	18%	0.175	15%	0.147	C	C	.	.			trans	-159.6	145.5	176	-178.7	0	0	0	0	110.3	Y455 D458 F459	S453-Y455 VanDerWaalsContact C-N 3.31Å; S453-Y455 PolarHBondContact OG-N 2.94Å; S453-D458 VanDerWaalsContact CB-OD2 3.23Å; S453-D458 WeakPolarHBondContact CB-OD2 3.45Å; S453-D458 PolarHBondContact OG-OD2 3.12Å; S453-F459 WeakPolarHBondContact O-CE2 3.48Å
454	G	85.7	Confident	91.8	Very high	82 Å²	82	30.5 Å²	30.5	85%	0.845	18%	0.182	S	C	*	.	S	Bend	trans	-80.5	-11.9	169	0	0	0	0	0	113.4
455	Y	90.8	Very high	91.5	Very high	132 Å²	132	35.1 Å²	35.1	52%	0.518	21%	0.21	S	C	.	.			trans	-94.8	122.2	178.5	-179.3	-121.4	0	0	0	111.3	S453 G457 D458 I468	S453-Y455 VanDerWaalsContact C-N 3.31Å; S453-Y455 PolarHBondContact OG-N 2.94Å; Y455-G457 PolarHBondContact O-N 3.06Å; Y455-D458 PolarHBondContact O-N 3.3Å; Y455-D458 VanDerWaalsContact O-N 3.14Å; Y455-I468 WeakPolarHBondContact OH-CD1 3.41Å
456	L	91.1	Very high	91.4	Very high	35 Å²	35	38.5 Å²	38.5	18%	0.183	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-62.7	-29.3	-177.8	-63	172.9	0	0	0	112.9	L437 M438 D458 F459 Y462 L466	L437-L456 HydrophobicContact CB-CD1 4.44Å; L437-L456 HydrophobicContact CD2-CD1 3.86Å; M438-L456 HydrophobicContact CG-CD2 3.52Å; M438-L456 HydrophobicContact SD-CD2 3.75Å; L456-D458 PolarHBondContact O-N 3.12Å; L456-D458 VanDerWaalsContact O-N 3.17Å; L456-F459 PolarHBondContact O-N 3.06Å; L456-F459 VanDerWaalsContact O-N 3.15Å; L456-Y462 HydrophobicContact CB-CD2 3.96Å; L456-Y462 HydrophobicContact CD2-CD2 3.94Å; L456-Y462 HydrophobicContact CD2-CE2 3.74Å; L456-Y462 WeakPolarHBondContact O-CD2 3.33Å; L456-L466 HydrophobicContact CB-CD1 3.87Å
457	G	91	Very high	91.3	Very high	6 Å²	6	41.1 Å²	41.1	6%	0.062	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-73.1	3.1	177.9	0	0	0	0	0	114.8	Y455 Y463	Y455-G457 PolarHBondContact O-N 3.06Å; G457-Y463 WeakPolarHBondContact O-CE1 3.49Å
458	D	92.6	Very high	91.2	Very high	42 Å²	42	42.5 Å²	42.5	23%	0.225	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-92.1	-10.2	168.8	-66.8	-31.4	0	0	0	112.6	Y452 S453 Y455 L456 H621	Y452-D458 HydrophobicContact CE1-CB 4.05Å; S453-D458 VanDerWaalsContact CB-OD2 3.23Å; S453-D458 WeakPolarHBondContact CB-OD2 3.45Å; S453-D458 PolarHBondContact OG-OD2 3.12Å; Y455-D458 PolarHBondContact O-N 3.3Å; Y455-D458 VanDerWaalsContact O-N 3.14Å; L456-D458 PolarHBondContact O-N 3.12Å; L456-D458 VanDerWaalsContact O-N 3.17Å; D458-H621 PolarHBondContact O-CE1 2.92Å
459	F	94.6	Very high	91.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-97.1	132.4	178.5	-60.9	-92.4	0	0	0	110.8	M438 Y452 S453 L456 F461 Y462 Y463 Y623	M438-F459 HydrophobicContact CE-CE2 4.49Å; M438-F459 HydrophobicContact CE-CZ 4.2Å; Y452-F459 HydrophobicContact CD1-CD1 4.24Å; Y452-F459 AromaticContact CD1-CE1 3.82Å; Y452-F459 HydrophobicContact CD1-CE1 3.82Å; Y452-F459 AromaticContact CD1-CZ 3.98Å; Y452-F459 HydrophobicContact CD1-CZ 3.98Å; S453-F459 WeakPolarHBondContact O-CE2 3.48Å; L456-F459 PolarHBondContact O-N 3.06Å; L456-F459 VanDerWaalsContact O-N 3.15Å; F459-F461 HydrophobicContact CB-CD1 4.42Å; F459-F461 HydrophobicContact CB-CD2 4.01Å; F459-F461 HydrophobicContact CB-CE1 3.98Å; F459-F461 HydrophobicContact CB-CE2 3.54Å; F459-F461 HydrophobicContact CB-CG 4.45Å; F459-F461 HydrophobicContact CB-CZ 3.54Å; F459-F461 HydrophobicContact CD1-CE1 4.11Å; F459-F461 HydrophobicContact CD1-CE2 4.04Å; F459-F461 AromaticContact CD1-CZ 3.41Å; F459-F461 HydrophobicContact CD1-CZ 3.41Å; F459-F461 VanDerWaalsContact CD1-CZ 3.41Å; F459-F461 HydrophobicContact CE1-CZ 4.38Å; F459-F461 AromaticContact CG-CE2 3.96Å; F459-F461 HydrophobicContact CG-CE2 3.96Å; F459-F461 AromaticContact CG-CZ 3.77Å; F459-F461 HydrophobicContact CG-CZ 3.77Å; F459-F461 PolarHBondContact O-N 3.32Å; F459-F461 VanDerWaalsContact O-N 3.13Å; F459-Y462 HydrophobicContact CB-CD2 3.77Å; F459-Y462 HydrophobicContact CB-CE2 4.11Å; F459-Y462 HydrophobicContact CD2-CD2 4.28Å; F459-Y462 HydrophobicContact CD2-CE2 4.31Å; F459-Y462 HydrophobicContact CG-CD2 4.3Å; F459-Y462 HydrophobicContact CG-CE2 4.28Å; F459-Y462 PolarHBondContact O-N 3.43Å; F459-Y463 VanDerWaalsContact O-CD1 3.28Å; F459-Y463 WeakPolarHBondContact O-CD1 3.49Å; F459-Y463 WeakPolarHBondContact O-CE1 3.33Å; F459-Y623 HydrophobicContact CD1-CD1 4.26Å; F459-Y623 HydrophobicContact CD1-CD2 4.09Å; F459-Y623 AromaticContact CD1-CE1 3.94Å; F459-Y623 HydrophobicContact CD1-CE1 3.94Å; F459-Y623 AromaticContact CD1-CE2 3.78Å; F459-Y623 HydrophobicContact CD1-CE2 3.78Å; F459-Y623 HydrophobicContact CD1-CG 4.32Å; F459-Y623 AromaticContact CD1-CZ 3.7Å; F459-Y623 HydrophobicContact CE1-CD2 4.12Å; F459-Y623 HydrophobicContact CE1-CE1 4.3Å; F459-Y623 AromaticContact CE1-CE2 3.47Å; F459-Y623 HydrophobicContact CE1-CE2 3.47Å; F459-Y623 VanDerWaalsContact CE1-CE2 3.47Å; F459-Y623 AromaticContact CE1-CZ 3.58Å
460	P	94.3	Very high	91.1	Very high	3 Å²	3	52 Å²	52	2%	0.019	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-66.4	-24.5	-170.4	25.2	-33.1	0	0	0	113.5	E581 H621	P460-E581 HydrophobicContact CB-CB 4.34Å; P460-H621 HydrophobicContact CB-CB 4Å; P460-H621 HydrophobicContact CG-CB 3.94Å
461	F	92.4	Very high	91.2	Very high	29 Å²	29	56.8 Å²	56.8	13%	0.127	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-79.8	-17.1	-176.7	35.2	-94.3	0	0	0	114.1	P443 A448 F459 Y623	P443-F461 VanDerWaalsContact CD-CE2 3.46Å; P443-F461 VanDerWaalsContact CD-CG 3.49Å; P443-F461 HydrophobicContact CG-CD1 4.16Å; P443-F461 HydrophobicContact CG-CD2 4.29Å; P443-F461 HydrophobicContact CG-CE1 4Å; P443-F461 HydrophobicContact CG-CE2 4.1Å; P443-F461 HydrophobicContact CG-CG 4.3Å; P443-F461 HydrophobicContact CG-CZ 3.95Å; A448-F461 HydrophobicContact CB-CE2 4.07Å; A448-F461 HydrophobicContact CB-CZ 4.03Å; F459-F461 HydrophobicContact CB-CD1 4.42Å; F459-F461 HydrophobicContact CB-CD2 4.01Å; F459-F461 HydrophobicContact CB-CE1 3.98Å; F459-F461 HydrophobicContact CB-CE2 3.54Å; F459-F461 HydrophobicContact CB-CG 4.45Å; F459-F461 HydrophobicContact CB-CZ 3.54Å; F459-F461 HydrophobicContact CD1-CE1 4.11Å; F459-F461 HydrophobicContact CD1-CE2 4.04Å; F459-F461 AromaticContact CD1-CZ 3.41Å; F459-F461 HydrophobicContact CD1-CZ 3.41Å; F459-F461 VanDerWaalsContact CD1-CZ 3.41Å; F459-F461 HydrophobicContact CE1-CZ 4.38Å; F459-F461 AromaticContact CG-CE2 3.96Å; F459-F461 HydrophobicContact CG-CE2 3.96Å; F459-F461 AromaticContact CG-CZ 3.77Å; F459-F461 HydrophobicContact CG-CZ 3.77Å; F459-F461 PolarHBondContact O-N 3.32Å; F459-F461 VanDerWaalsContact O-N 3.13Å; F461-Y623 AromaticContact CE1-CD1 3.96Å; F461-Y623 HydrophobicContact CE1-CD1 3.96Å; F461-Y623 AromaticContact CE1-CE1 3.71Å; F461-Y623 HydrophobicContact CE1-CE1 3.71Å; F461-Y623 HydrophobicContact CZ-CE1 4.02Å
462	Y	93.3	Very high	91.5	Very high	1 Å²	1	56.6 Å²	56.6	0%	0.004	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-95	-5.1	179.6	-60.7	-46.8	0	0	0	114	L437 M438 L456 F459 A464 T465 L466	L437-Y462 HydrophobicContact CD2-CD1 4.16Å; L437-Y462 HydrophobicContact CD2-CE1 4.43Å; L437-Y462 HydrophobicContact CG-CE1 4.44Å; M438-Y462 VanDerWaalsContact CA-OH 3.27Å; M438-Y462 WeakPolarHBondContact CA-OH 3.4Å; M438-Y462 HydrophobicContact CG-CE2 3.99Å; L456-Y462 HydrophobicContact CB-CD2 3.96Å; L456-Y462 HydrophobicContact CD2-CD2 3.94Å; L456-Y462 HydrophobicContact CD2-CE2 3.74Å; L456-Y462 WeakPolarHBondContact O-CD2 3.33Å; F459-Y462 HydrophobicContact CB-CD2 3.77Å; F459-Y462 HydrophobicContact CB-CE2 4.11Å; F459-Y462 HydrophobicContact CD2-CD2 4.28Å; F459-Y462 HydrophobicContact CD2-CE2 4.31Å; F459-Y462 HydrophobicContact CG-CD2 4.3Å; F459-Y462 HydrophobicContact CG-CE2 4.28Å; F459-Y462 PolarHBondContact O-N 3.43Å; Y462-A464 PolarHBondContact O-N 2.9Å; Y462-T465 PolarHBondContact O-N 3.49Å; Y462-L466 WeakPolarHBondContact O-CB 3.46Å; Y462-L466 VanDerWaalsContact O-CG 3.29Å; Y462-L466 WeakPolarHBondContact O-CG 3.02Å; Y462-L466 PolarHBondContact O-N 3.21Å
463	Y	92.6	Very high	91.7	Very high	8 Å²	8	58.4 Å²	58.4	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-56.9	-46.7	-176.7	-70.1	-0.4	0	0	0	112.8	G457 F459 L466 G467 I468 P470 D553 P580 H621	G457-Y463 WeakPolarHBondContact O-CE1 3.49Å; F459-Y463 VanDerWaalsContact O-CD1 3.28Å; F459-Y463 WeakPolarHBondContact O-CD1 3.49Å; F459-Y463 WeakPolarHBondContact O-CE1 3.33Å; Y463-L466 PolarHBondContact O-N 3.41Å; Y463-G467 WeakPolarHBondContact O-CA 3.48Å; Y463-G467 PolarHBondContact O-N 2.83Å; Y463-I468 WeakPolarHBondContact CB-O 3.43Å; Y463-I468 PolarHBondContact O-N 2.69Å; Y463-P470 HydrophobicContact CD2-CB 4.38Å; Y463-P470 HydrophobicContact CE2-CB 3.79Å; Y463-P470 HydrophobicContact CE2-CG 4.45Å; Y463-D553 PolarHBondContact OH-OD2 3.4Å; Y463-P580 HydrophobicContact CD2-CB 3.89Å; Y463-P580 HydrophobicContact CD2-CG 3.67Å; Y463-P580 HydrophobicContact CE2-CB 3.93Å; Y463-P580 HydrophobicContact CE2-CG 4.24Å; Y463-H621 AromaticContact CZ-NE2 3.99Å; Y463-H621 PolarHBondContact OH-NE2 2.94Å
464	A	88.4	Confident	92.1	Very high	96 Å²	96	57.2 Å²	57.2	79%	0.793	33%	0.332	S	S	*	.	H	α-helix	trans	-63.5	-45.5	179.6	0	0	0	0	0	112.1	Y462 L466 G467	Y462-A464 PolarHBondContact O-N 2.9Å; A464-L466 VanDerWaalsContact C-N 3.32Å; A464-L466 PolarHBondContact O-N 3Å; A464-G467 PolarHBondContact O-N 3.31Å
465	T	88.8	Confident	92.6	Very high	97 Å²	97	53.3 Å²	53.3	60%	0.595	29%	0.291	S	S	*	.	H	α-helix	trans	-65.2	-35.8	179.5	-50.8	0	0	0	0	112.3	Y462	Y462-T465 PolarHBondContact O-N 3.49Å
466	L	91	Very high	93	Very high	71 Å²	71	47 Å²	47	37%	0.372	27%	0.267	S	S	.	.	H	α-helix	trans	-88.1	-8.6	-179.8	-62.2	173.6	0	0	0	113.3	L456 Y462 Y463 A464 I468	L456-L466 HydrophobicContact CB-CD1 3.87Å; Y462-L466 WeakPolarHBondContact O-CB 3.46Å; Y462-L466 VanDerWaalsContact O-CG 3.29Å; Y462-L466 WeakPolarHBondContact O-CG 3.02Å; Y462-L466 PolarHBondContact O-N 3.21Å; Y463-L466 PolarHBondContact O-N 3.41Å; A464-L466 VanDerWaalsContact C-N 3.32Å; A464-L466 PolarHBondContact O-N 3Å; L466-I468 HydrophobicContact CB-CB 4.42Å; L466-I468 HydrophobicContact CB-CD1 3.6Å; L466-I468 HydrophobicContact CB-CG1 3.77Å; L466-I468 HydrophobicContact CD1-CD1 3.79Å; L466-I468 HydrophobicContact CG-CD1 4.32Å; L466-I468 PolarHBondContact O-N 3.4Å
467	G	90.8	Very high	93.2	Very high	66 Å²	66	45.4 Å²	45.4	68%	0.68	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	22.4	-173	0	0	0	0	0	113.8	Y463 A464	Y463-G467 WeakPolarHBondContact O-CA 3.48Å; Y463-G467 PolarHBondContact O-N 2.83Å; A464-G467 PolarHBondContact O-N 3.31Å
468	I	92	Very high	93.4	Very high	53 Å²	53	45.1 Å²	45.1	27%	0.272	26%	0.255	S	S	.	.			trans	-92.2	145.5	-178.8	-62	170.1	0	0	0	109.3	Y455 Y463 L466	Y455-I468 WeakPolarHBondContact OH-CD1 3.41Å; Y463-I468 WeakPolarHBondContact CB-O 3.43Å; Y463-I468 PolarHBondContact O-N 2.69Å; L466-I468 HydrophobicContact CB-CB 4.42Å; L466-I468 HydrophobicContact CB-CD1 3.6Å; L466-I468 HydrophobicContact CB-CG1 3.77Å; L466-I468 HydrophobicContact CD1-CD1 3.79Å; L466-I468 HydrophobicContact CG-CD1 4.32Å; L466-I468 PolarHBondContact O-N 3.4Å
469	K	90	Very high	93.4	Very high	186 Å²	186	43.4 Å²	43.4	81%	0.809	25%	0.246	S	C	*	.			trans	-104.7	146.4	172.4	-67.7	-176.1	179.2	-179.5	0	110.5
470	P	91.9	Very high	93.2	Very high	14 Å²	14	43.4 Å²	43.4	9%	0.091	25%	0.246	C	C	.	.			trans	-59.7	156.2	174.5	23.1	-32.1	0	0	0	111.8	Y463 W576 Q577	Y463-P470 HydrophobicContact CD2-CB 4.38Å; Y463-P470 HydrophobicContact CE2-CB 3.79Å; Y463-P470 HydrophobicContact CE2-CG 4.45Å; P470-W576 HydrophobicContact CB-CH2 3.86Å; P470-W576 HydrophobicContact CB-CZ3 3.69Å; P470-W576 HydrophobicContact CG-CZ3 4.01Å; P470-Q577 HydrophobicContact CG-CB 4.35Å; P470-Q577 HydrophobicContact CG-CG 4.24Å
471	Y	92.9	Very high	92.8	Very high	115 Å²	115	46 Å²	46	45%	0.451	26%	0.262	S	S	.	.			trans	-50.5	136.6	172.8	-168	-106.4	0	0	0	111.8	K473 T552 D553	Y471-K473 HydrophobicContact CD1-CB 4.06Å; Y471-K473 HydrophobicContact CE1-CB 3.81Å; Y471-K473 HydrophobicContact CE1-CG 4.39Å; Y471-K473 PolarHBondContact O-N 2.85Å; Y471-T552 HydrophobicContact CD1-CG2 3.89Å; Y471-T552 HydrophobicContact CE1-CG2 3.98Å; Y471-D553 VanDerWaalsContact CB-OD2 3.31Å; Y471-D553 WeakPolarHBondContact CB-OD2 3.39Å; Y471-D553 PolarHBondContact N-OD2 2.59Å
472	P	95	Very high	92.5	Very high	77 Å²	77	46.3 Å²	46.3	50%	0.5	27%	0.267	S	S	.	.	S	Bend	trans	-77.4	8	-168.6	32	-38	0	0	0	114.7	F573	P472-F573 VanDerWaalsContact C-CZ 3.45Å; P472-F573 VanDerWaalsContact O-CE1 3.29Å; P472-F573 WeakPolarHBondContact O-CE1 3.35Å; P472-F573 WeakPolarHBondContact O-CZ 3.39Å
473	K	96.8	Very high	92.1	Very high	89 Å²	89	48.7 Å²	48.7	39%	0.387	28%	0.283	S	S	.	.			trans	-135.6	161.8	178.2	-62.5	-173.2	175.7	-174.9	0	111.3	Y471 Y503 A505	Y471-K473 HydrophobicContact CD1-CB 4.06Å; Y471-K473 HydrophobicContact CE1-CB 3.81Å; Y471-K473 HydrophobicContact CE1-CG 4.39Å; Y471-K473 PolarHBondContact O-N 2.85Å; K473-Y503 CarbonylContact C-O 3.5Å; K473-Y503 WeakPolarHBondContact CA-O 3.34Å; K473-Y503 WeakPolarHBondContact CB-O 3.48Å; K473-A505 HydrophobicContact CB-CB 3.95Å; K473-A505 HydrophobicContact CD-CB 4.14Å
474	F	97.6	Very high	91.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	158.2	177.6	69.5	-93	0	0	0	112.5	A476 V498 Y503 C504 A505 A554 L556 V569 F573 M619	F474-A476 HydrophobicContact CE2-CB 4.15Å; F474-V498 HydrophobicContact CE2-CG1 4.22Å; F474-V498 HydrophobicContact CZ-CG1 4.49Å; F474-Y503 WeakPolarHBondContact CD1-O 3.31Å; F474-Y503 PolarHBondContact N-O 2.81Å; F474-C504 HydrophobicContact CE1-CB 4.34Å; F474-C504 HydrophobicContact CE2-CB 4.19Å; F474-C504 HydrophobicContact CZ-CB 3.82Å; F474-A505 PolarHBondContact O-N 3.34Å; F474-A554 WeakPolarHBondContact CA-O 3.32Å; F474-A554 HydrophobicContact CB-CB 3.59Å; F474-L556 HydrophobicContact CD2-CB 3.73Å; F474-L556 HydrophobicContact CD2-CD2 4.33Å; F474-L556 HydrophobicContact CE2-CB 3.96Å; F474-L556 HydrophobicContact CE2-CD2 3.7Å; F474-L556 HydrophobicContact CE2-CG 4.48Å; F474-L556 HydrophobicContact CZ-CD2 4.21Å; F474-V569 HydrophobicContact CE1-CG1 4.02Å; F474-V569 HydrophobicContact CE2-CG1 4.27Å; F474-V569 HydrophobicContact CZ-CG1 3.43Å; F474-V569 VanDerWaalsContact CZ-CG1 3.43Å; F474-F573 HydrophobicContact CB-CD2 3.9Å; F474-F573 HydrophobicContact CB-CE2 3.89Å; F474-F573 HydrophobicContact CD1-CB 4.1Å; F474-F573 HydrophobicContact CD1-CD1 4.45Å; F474-F573 AromaticContact CD1-CD2 3.62Å; F474-F573 HydrophobicContact CD1-CD2 3.62Å; F474-F573 HydrophobicContact CD1-CE2 4.15Å; F474-F573 AromaticContact CD1-CG 3.79Å; F474-F573 HydrophobicContact CD1-CG 3.79Å; F474-F573 HydrophobicContact CE1-CB 4.33Å; F474-F573 HydrophobicContact CE1-CG 4.41Å; F474-F573 HydrophobicContact CG-CD2 4.15Å; F474-M619 HydrophobicContact CD1-CE 4.31Å; F474-M619 HydrophobicContact CE1-CE 4.29Å; F474-M619 HydrophobicContact CG-CE 4.45Å; F474-M619 HydrophobicContact CZ-CE 4.42Å
475	T	97.9	Very high	91.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.8	168.5	-64.7	0	0	0	0	108.4	V477 Q506 I508 I550 T552 A554 V555 L556	T475-V477 HydrophobicContact CG2-CG2 4.43Å; T475-Q506 HydrophobicContact CG2-CG 3.71Å; T475-Q506 PolarHBondContact OG1-NE2 2.85Å; T475-Q506 VanDerWaalsContact OG1-NE2 3.14Å; T475-I508 HydrophobicContact CG2-CD1 3.74Å; T475-I508 HydrophobicContact CG2-CG1 4.01Å; T475-I550 HydrophobicContact CG2-CG1 4.34Å; T475-T552 WeakPolarHBondContact CB-OG1 3.38Å; T475-T552 PolarHBondContact N-OG1 2.92Å; T475-T552 PolarHBondContact OG1-OG1 2.71Å; T475-A554 PolarHBondContact N-O 3.42Å; T475-A554 VanDerWaalsContact N-O 3.11Å; T475-V555 WeakPolarHBondContact O-CA 3.34Å; T475-L556 PolarHBondContact O-N 3.33Å
476	A	97.3	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.5	172.4	0	0	0	0	0	110.4	F474 V498 Q506 I507 I508 L556	F474-A476 HydrophobicContact CE2-CB 4.15Å; A476-V498 HydrophobicContact CB-CG1 3.6Å; A476-Q506 PolarHBondContact N-O 3.44Å; A476-I507 HydrophobicContact CB-CB 4.48Å; A476-I507 HydrophobicContact CB-CG1 4.21Å; A476-I507 HydrophobicContact CB-CG2 4.17Å; A476-I507 CarbonylContact O-C 3.5Å; A476-I507 WeakPolarHBondContact O-CA 3.22Å; A476-I508 PolarHBondContact O-N 3.43Å; A476-L556 CarbonylContact C-O 3.54Å; A476-L556 WeakPolarHBondContact CA-O 3.26Å; A476-L556 HydrophobicContact CB-CB 4.5Å
477	V	96.4	Very high	90.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.3	175	179	0	0	0	0	107.6	T475 I508 L510 I550 V555 L556 L558	T475-V477 HydrophobicContact CG2-CG2 4.43Å; V477-I508 CarbonylContact C-O 3.58Å; V477-I508 WeakPolarHBondContact CA-O 3.24Å; V477-I508 HydrophobicContact CG2-CB 4.44Å; V477-L510 HydrophobicContact CG1-CD1 3.48Å; V477-L510 VanDerWaalsContact CG1-CD1 3.48Å; V477-L510 HydrophobicContact CG1-CG 3.86Å; V477-I550 HydrophobicContact CG2-CD1 4.06Å; V477-V555 HydrophobicContact CB-CG1 4.36Å; V477-V555 HydrophobicContact CG2-CG1 3.73Å; V477-L556 PolarHBondContact N-O 2.94Å; V477-L558 PolarHBondContact O-N 3.31Å
478	I	94.9	Very high	89.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.2	179.7	-56.6	177.4	0	0	0	108.4	I491 L494 L495 I507 I508 V509 L510 L558	I478-I491 HydrophobicContact CG2-CD1 4.14Å; I478-I491 HydrophobicContact CG2-CG1 4.09Å; I478-L494 HydrophobicContact CD1-CD2 4.29Å; I478-L494 HydrophobicContact CD1-CG 4.37Å; I478-L494 HydrophobicContact CG2-CD2 4.49Å; I478-L495 HydrophobicContact CD1-CD2 3.67Å; I478-L495 HydrophobicContact CD1-CG 3.98Å; I478-I507 HydrophobicContact CD1-CG2 3.82Å; I478-I507 HydrophobicContact CG1-CG2 4.19Å; I478-I508 PolarHBondContact N-O 2.88Å; I478-V509 WeakPolarHBondContact O-CA 3.33Å; I478-L510 PolarHBondContact O-N 3.46Å; I478-L558 WeakPolarHBondContact CA-O 3.46Å; I478-L558 HydrophobicContact CG1-CB 4.15Å; I478-L558 HydrophobicContact CG1-CD1 4.13Å
479	H	91.8	Very high	89.6	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.028	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	110.4	178.1	-167.5	-176.5	0	0	0	110.5	N512 L558 E560	H479-N512 WeakPolarHBondContact NE2-CB 3.21Å; H479-N512 PolarHBondContact NE2-ND2 3.03Å; H479-L558 PolarHBondContact N-O 3.27Å; H479-E560 WeakPolarHBondContact O-CB 3.46Å; H479-E560 PolarHBondContact O-N 2.89Å
480	A	90.5	Very high	89.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.3	179.7	0	0	0	0	0	110.7	I491 V509 L510 W511 N512 E560	A480-I491 HydrophobicContact CB-CD1 3.75Å; A480-V509 HydrophobicContact CB-CG1 3.97Å; A480-L510 PolarHBondContact N-O 3.45Å; A480-W511 HydrophobicContact CB-CE3 3.97Å; A480-W511 HydrophobicContact CB-CZ3 4.23Å; A480-N512 CarbonylContact O-C 3.51Å; A480-N512 WeakPolarHBondContact O-CA 3.17Å; A480-N512 PolarHBondContact O-N 3.49Å; A480-E560 WeakPolarHBondContact CA-OE2 3.34Å
481	V	87.2	Confident	89.3	Confident	58 Å²	58	43 Å²	43	35%	0.352	24%	0.242	S	C	.	.			trans	-119.2	-13.9	179.6	-64.4	0	0	0	0	112.3	N512 E560	V481-N512 HydrophobicContact CG1-CB 4.37Å; V481-E560 HydrophobicContact CG2-CG 4.37Å; V481-E560 WeakPolarHBondContact CG2-OE1 3.48Å; V481-E560 PolarHBondContact N-OE2 3.03Å
482	S	86	Confident	89.2	Confident	36 Å²	36	37.9 Å²	37.9	25%	0.252	22%	0.222	S	C	.	.	S	Bend	trans	-110.4	150.7	177	66.4	0	0	0	0	112.7	E560	S482-E560 VanDerWaalsContact CB-OE1 3.23Å; S482-E560 WeakPolarHBondContact CB-OE1 3.33Å; S482-E560 PolarHBondContact N-OE1 3.33Å; S482-E560 PolarHBondContact N-OE2 2.53Å; S482-E560 PolarHBondContact OG-OE1 3.05Å; S482-E560 PolarHBondContact OG-OE2 2.74Å; S482-E560 VanDerWaalsContact OG-OE2 3.06Å
483	P	84.5	Confident	89	Confident	51 Å²	51	40.8 Å²	40.8	33%	0.331	23%	0.227	S	C	.	.			trans	-70.2	150.6	178.6	28.3	-34	0	0	0	111.8	V485 Q489 K515	P483-V485 WeakPolarHBondContact O-CG2 3.46Å; P483-V485 PolarHBondContact O-N 3.37Å; P483-Q489 PolarHBondContact O-NE2 2.66Å; P483-Q489 VanDerWaalsContact O-NE2 3.07Å; P483-K515 HydrophobicContact CB-CB 4.15Å; P483-K515 HydrophobicContact CB-CG 4.08Å; P483-K515 HydrophobicContact CG-CG 4.36Å
484	L	84	Confident	88.7	Confident	10 Å²	10	36.7 Å²	36.7	5%	0.052	21%	0.21	C	C	.	.			trans	-79.5	102	172.2	-66.8	-175.3	0	0	0	110.5	Q489 I491 L492 W511 P518 R522 W523	L484-Q489 VanDerWaalsContact CA-OE1 3.3Å; L484-I491 HydrophobicContact CD2-CG2 3.43Å; L484-I491 VanDerWaalsContact CD2-CG2 3.43Å; L484-L492 HydrophobicContact CD1-CD2 4.12Å; L484-L492 HydrophobicContact CD2-CD2 4.15Å; L484-L492 HydrophobicContact CD2-CG 4.29Å; L484-W511 HydrophobicContact CG-CH2 4.1Å; L484-W511 HydrophobicContact CG-CZ3 4.08Å; L484-P518 HydrophobicContact CB-CB 4.31Å; L484-P518 HydrophobicContact CB-CG 3.85Å; L484-P518 HydrophobicContact CD1-CB 3.98Å; L484-P518 HydrophobicContact CD1-CG 3.7Å; L484-P518 HydrophobicContact CG-CG 3.87Å; L484-R522 PolarHBondContact O-NH1 3.34Å; L484-W523 HydrophobicContact CD1-CD2 4.2Å; L484-W523 HydrophobicContact CD1-CE3 4.06Å; L484-W523 HydrophobicContact CD1-CH2 3.77Å; L484-W523 HydrophobicContact CD1-CZ2 3.92Å; L484-W523 HydrophobicContact CD1-CZ3 3.84Å
485	V	82	Confident	88.5	Confident	123 Å²	123	36.7 Å²	36.7	75%	0.745	21%	0.21	S	C	*	.			trans	-106.9	-25.9	-179.9	-105.1	0	0	0	0	113.6	P483	P483-V485 WeakPolarHBondContact O-CG2 3.46Å; P483-V485 PolarHBondContact O-N 3.37Å
486	S	81.9	Confident	88.3	Confident	54 Å²	54	39.1 Å²	39.1	38%	0.378	22%	0.224	S	C	.	.			trans	-144.5	143.6	-177.7	175.8	0	0	0	0	112.6	S488 Q489 L492	S486-S488 PolarHBondContact O-N 3.26Å; S486-S488 PolarHBondContact OG-N 2.87Å; S486-S488 VanDerWaalsContact OG-N 3.14Å; S486-S488 PolarHBondContact OG-OG 3.02Å; S486-Q489 WeakPolarHBondContact O-CB 3.4Å; S486-Q489 WeakPolarHBondContact O-CG 3.29Å; S486-Q489 PolarHBondContact O-N 3.38Å; S486-Q489 VanDerWaalsContact O-N 3.15Å; S486-Q489 PolarHBondContact O-OE1 3Å; S486-L492 VanDerWaalsContact O-CD1 3.3Å; S486-L492 WeakPolarHBondContact O-CD1 3.22Å
487	Q	77.4	Confident	88.1	Confident	117 Å²	117	39.8 Å²	39.8	55%	0.547	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.2	172.8	-69.5	-62.8	-30.2	0	0	113.4	L492 R522	Q487-L492 VanDerWaalsContact CA-CD1 3.49Å; Q487-R522 PolarHBondContact NE2-O 2.99Å; Q487-R522 VanDerWaalsContact NE2-O 3.11Å
488	S	80.3	Confident	88	Confident	77 Å²	77	39.8 Å²	39.8	54%	0.538	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.4	177.3	62.4	0	0	0	0	114.5	S486	S486-S488 PolarHBondContact O-N 3.26Å; S486-S488 PolarHBondContact OG-N 2.87Å; S486-S488 VanDerWaalsContact OG-N 3.14Å; S486-S488 PolarHBondContact OG-OG 3.02Å
489	Q	84.9	Confident	88.1	Confident	32 Å²	32	40 Å²	40	15%	0.15	23%	0.231	C	C	.	.	S	Bend	trans	-62.1	145.8	-178	-78.2	176.4	-70	0	0	112.3	P483 L484 S486 I491 L492 K493	P483-Q489 PolarHBondContact O-NE2 2.66Å; P483-Q489 VanDerWaalsContact O-NE2 3.07Å; L484-Q489 VanDerWaalsContact CA-OE1 3.3Å; S486-Q489 WeakPolarHBondContact O-CB 3.4Å; S486-Q489 WeakPolarHBondContact O-CG 3.29Å; S486-Q489 PolarHBondContact O-N 3.38Å; S486-Q489 VanDerWaalsContact O-N 3.15Å; S486-Q489 PolarHBondContact O-OE1 3Å; Q489-I491 VanDerWaalsContact C-N 3.31Å; Q489-I491 HydrophobicContact CB-CG2 4.18Å; Q489-I491 PolarHBondContact O-N 3.05Å; Q489-L492 PolarHBondContact O-N 3.48Å; Q489-K493 PolarHBondContact O-N 2.89Å
490	P	87	Confident	88.3	Confident	54 Å²	54	46.5 Å²	46.5	35%	0.351	26%	0.259	S	S	.	.	H	α-helix	trans	-53.3	-43.5	-178.6	-27.8	35.5	0	0	0	113.9	L492 K493 L494	P490-L492 VanDerWaalsContact C-N 3.27Å; P490-L492 PolarHBondContact O-N 3.31Å; P490-K493 PolarHBondContact O-N 3.36Å; P490-K493 VanDerWaalsContact O-N 3.09Å; P490-L494 WeakPolarHBondContact O-CB 3.46Å; P490-L494 PolarHBondContact O-N 3.39Å
491	I	89.5	Confident	88.6	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-55	-38.5	-179.9	-170.1	172.8	0	0	0	113.5	I478 A480 L484 Q489 L494 L495 E560	I478-I491 HydrophobicContact CG2-CD1 4.14Å; I478-I491 HydrophobicContact CG2-CG1 4.09Å; A480-I491 HydrophobicContact CB-CD1 3.75Å; L484-I491 HydrophobicContact CD2-CG2 3.43Å; L484-I491 VanDerWaalsContact CD2-CG2 3.43Å; Q489-I491 VanDerWaalsContact C-N 3.31Å; Q489-I491 HydrophobicContact CB-CG2 4.18Å; Q489-I491 PolarHBondContact O-N 3.05Å; I491-L494 PolarHBondContact O-N 3.04Å; I491-L495 HydrophobicContact CG1-CD1 4.47Å; I491-L495 WeakPolarHBondContact O-CB 3.25Å; I491-L495 VanDerWaalsContact O-CG 3.3Å; I491-L495 WeakPolarHBondContact O-CG 3.45Å; I491-L495 PolarHBondContact O-N 3.09Å; I491-E560 WeakPolarHBondContact CA-O 3.46Å; I491-E560 HydrophobicContact CB-CB 4.23Å; I491-E560 HydrophobicContact CD1-CB 4.01Å; I491-E560 HydrophobicContact CG1-CB 4.32Å; I491-E560 PolarHBondContact N-O 3.02Å
492	L	90.5	Very high	88.9	Confident	7 Å²	7	50.2 Å²	50.2	4%	0.037	27%	0.274	C	S	.	.	H	α-helix	trans	-72.9	-38.2	-179.9	-62	176.3	0	0	0	111.5	L484 S486 Q487 Q489 P490 L495 V496	L484-L492 HydrophobicContact CD1-CD2 4.12Å; L484-L492 HydrophobicContact CD2-CD2 4.15Å; L484-L492 HydrophobicContact CD2-CG 4.29Å; S486-L492 VanDerWaalsContact O-CD1 3.3Å; S486-L492 WeakPolarHBondContact O-CD1 3.22Å; Q487-L492 VanDerWaalsContact CA-CD1 3.49Å; Q489-L492 PolarHBondContact O-N 3.48Å; P490-L492 VanDerWaalsContact C-N 3.27Å; P490-L492 PolarHBondContact O-N 3.31Å; L492-L495 HydrophobicContact CD2-CD1 4.21Å; L492-L495 PolarHBondContact O-N 2.82Å; L492-V496 WeakPolarHBondContact O-CG2 3.34Å; L492-V496 PolarHBondContact O-N 3.14Å
493	K	90	Very high	89.4	Confident	138 Å²	138	51.5 Å²	51.5	60%	0.6	27%	0.273	S	S	*	.	H	α-helix	trans	-66.1	-40.7	173.5	-65.4	179.3	-179	174.1	0	111.2	Q489 P490 V496 A497	Q489-K493 PolarHBondContact O-N 2.89Å; P490-K493 PolarHBondContact O-N 3.36Å; P490-K493 VanDerWaalsContact O-N 3.09Å; K493-V496 PolarHBondContact O-N 3.06Å; K493-A497 WeakPolarHBondContact O-CB 3.26Å; K493-A497 PolarHBondContact O-N 3.16Å
494	L	91.8	Very high	90	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-62.3	-46.5	176.4	-178.1	63	0	0	0	111.2	I478 P490 I491 V496 A497 V498 L558 T562 L564	I478-L494 HydrophobicContact CD1-CD2 4.29Å; I478-L494 HydrophobicContact CD1-CG 4.37Å; I478-L494 HydrophobicContact CG2-CD2 4.49Å; P490-L494 WeakPolarHBondContact O-CB 3.46Å; P490-L494 PolarHBondContact O-N 3.39Å; I491-L494 PolarHBondContact O-N 3.04Å; L494-V496 VanDerWaalsContact C-N 3.33Å; L494-V496 PolarHBondContact O-N 2.92Å; L494-A497 PolarHBondContact O-N 2.83Å; L494-A497 VanDerWaalsContact O-N 3.12Å; L494-V498 HydrophobicContact CD1-CG2 4.08Å; L494-V498 HydrophobicContact CG-CG2 4.38Å; L494-V498 WeakPolarHBondContact O-CG2 3.27Å; L494-V498 PolarHBondContact O-N 2.84Å; L494-L558 HydrophobicContact CD1-CD1 4.25Å; L494-L558 HydrophobicContact CD2-CB 4.21Å; L494-L558 HydrophobicContact CD2-CD1 4.22Å; L494-L558 HydrophobicContact CG-CD1 4.35Å; L494-T562 HydrophobicContact CD1-CG2 4.49Å; L494-L564 HydrophobicContact CD1-CB 4.33Å
495	L	93.1	Very high	90.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-53.5	-49.3	174.9	-82.2	166.1	0	0	0	111.8	I478 I491 L492 A497 A499 I507 V509 W523 P524 V530	I478-L495 HydrophobicContact CD1-CD2 3.67Å; I478-L495 HydrophobicContact CD1-CG 3.98Å; I491-L495 HydrophobicContact CG1-CD1 4.47Å; I491-L495 WeakPolarHBondContact O-CB 3.25Å; I491-L495 VanDerWaalsContact O-CG 3.3Å; I491-L495 WeakPolarHBondContact O-CG 3.45Å; I491-L495 PolarHBondContact O-N 3.09Å; L492-L495 HydrophobicContact CD2-CD1 4.21Å; L492-L495 PolarHBondContact O-N 2.82Å; L495-A497 PolarHBondContact O-N 2.95Å; L495-A499 WeakPolarHBondContact O-CB 3.44Å; L495-A499 PolarHBondContact O-N 2.81Å; L495-I507 HydrophobicContact CD2-CB 4.43Å; L495-I507 HydrophobicContact CD2-CD1 4.12Å; L495-I507 HydrophobicContact CD2-CG2 3.67Å; L495-V509 HydrophobicContact CD2-CG2 3.93Å; L495-W523 HydrophobicContact CD1-CE3 3.94Å; L495-W523 HydrophobicContact CD1-CZ3 3.94Å; L495-P524 HydrophobicContact CB-CG 4.04Å; L495-P524 HydrophobicContact CD1-CG 4.23Å; L495-V530 HydrophobicContact CD2-CG1 4.37Å
496	V	93.1	Very high	91.3	Very high	50 Å²	50	45.2 Å²	45.2	30%	0.303	24%	0.236	S	C	.	.	H	α-helix	trans	-64.6	-39.9	178.1	174.9	0	0	0	0	111.6	L492 K493 L494 K500 P524	L492-V496 WeakPolarHBondContact O-CG2 3.34Å; L492-V496 PolarHBondContact O-N 3.14Å; K493-V496 PolarHBondContact O-N 3.06Å; L494-V496 VanDerWaalsContact C-N 3.33Å; L494-V496 PolarHBondContact O-N 2.92Å; V496-K500 HydrophobicContact CG1-CD 4.26Å; V496-K500 VanDerWaalsContact O-CG 3.29Å; V496-K500 WeakPolarHBondContact O-CG 3.33Å; V496-K500 PolarHBondContact O-N 3.25Å; V496-P524 HydrophobicContact CG2-CB 3.81Å; V496-P524 HydrophobicContact CG2-CG 4.16Å
497	A	93.1	Very high	92	Very high	15 Å²	15	42.7 Å²	42.7	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-42.5	-179.7	0	0	0	0	0	112.3	K493 L494 L495 L564 T566	K493-A497 WeakPolarHBondContact O-CB 3.26Å; K493-A497 PolarHBondContact O-N 3.16Å; L494-A497 PolarHBondContact O-N 2.83Å; L494-A497 VanDerWaalsContact O-N 3.12Å; L495-A497 PolarHBondContact O-N 2.95Å; A497-L564 WeakPolarHBondContact CB-O 3.38Å; A497-T566 WeakPolarHBondContact O-CB 3.32Å; A497-T566 PolarHBondContact O-OG1 3.28Å
498	V	95.4	Very high	92.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.3	-43	176.6	175.2	0	0	0	0	110.7	F474 A476 L494 K500 S501 I507 L558 V569	F474-V498 HydrophobicContact CE2-CG1 4.22Å; F474-V498 HydrophobicContact CZ-CG1 4.49Å; A476-V498 HydrophobicContact CB-CG1 3.6Å; L494-V498 HydrophobicContact CD1-CG2 4.08Å; L494-V498 HydrophobicContact CG-CG2 4.38Å; L494-V498 WeakPolarHBondContact O-CG2 3.27Å; L494-V498 PolarHBondContact O-N 2.84Å; V498-K500 PolarHBondContact O-N 3.48Å; V498-S501 WeakPolarHBondContact O-CB 3.24Å; V498-S501 PolarHBondContact O-N 3.1Å; V498-I507 HydrophobicContact CB-CD1 4.14Å; V498-I507 HydrophobicContact CG1-CD1 3.93Å; V498-I507 HydrophobicContact CG1-CG1 4.01Å; V498-L558 HydrophobicContact CG2-CD1 3.82Å; V498-V569 HydrophobicContact CG2-CG2 4.27Å
499	A	96	Very high	93.6	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-29.1	179.5	0	0	0	0	0	113.6	L495 S501 I507 T526 S527 V528	L495-A499 WeakPolarHBondContact O-CB 3.44Å; L495-A499 PolarHBondContact O-N 2.81Å; A499-S501 VanDerWaalsContact C-N 3.27Å; A499-S501 PolarHBondContact O-N 2.95Å; A499-I507 HydrophobicContact CB-CD1 3.92Å; A499-T526 HydrophobicContact CB-CG2 3.59Å; A499-S527 PolarHBondContact O-OG 3.49Å; A499-V528 HydrophobicContact CB-CG2 3.7Å
500	K	96.1	Very high	94	Very high	143 Å²	143	32 Å²	32	62%	0.622	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-11.5	175.9	-76.1	175.6	179.1	-176.9	0	114.1	V496 V498 T566	V496-K500 HydrophobicContact CG1-CD 4.26Å; V496-K500 VanDerWaalsContact O-CG 3.29Å; V496-K500 WeakPolarHBondContact O-CG 3.33Å; V496-K500 PolarHBondContact O-N 3.25Å; V498-K500 PolarHBondContact O-N 3.48Å; K500-T566 HydrophobicContact CB-CG2 3.91Å
501	S	96.1	Very high	94.2	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.042	14%	0.143	C	C	.	.			trans	-65.2	134.8	177.3	171	0	0	0	0	110.3	V498 A499 Y503 C504 D570	V498-S501 WeakPolarHBondContact O-CB 3.24Å; V498-S501 PolarHBondContact O-N 3.1Å; A499-S501 VanDerWaalsContact C-N 3.27Å; A499-S501 PolarHBondContact O-N 2.95Å; S501-Y503 PolarHBondContact O-N 3.48Å; S501-Y503 PolarHBondContact OG-N 2.99Å; S501-C504 PolarHBondContact O-N 3.08Å; S501-D570 WeakPolarHBondContact CB-OD1 3.07Å; S501-D570 PolarHBondContact OG-OD1 3.34Å
502	Q	94.5	Very high	94.1	Very high	130 Å²	130	29.9 Å²	29.9	61%	0.607	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.9	175.9	64.6	-174.7	-37.7	0	0	113.2
503	Y	96.8	Very high	93.8	Very high	63 Å²	63	29.9 Å²	29.9	25%	0.247	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-2.7	-177.5	-53	-67.4	0	0	0	113.1	K473 F474 S501 A505 D570 F573	K473-Y503 CarbonylContact C-O 3.5Å; K473-Y503 WeakPolarHBondContact CA-O 3.34Å; K473-Y503 WeakPolarHBondContact CB-O 3.48Å; F474-Y503 WeakPolarHBondContact CD1-O 3.31Å; F474-Y503 PolarHBondContact N-O 2.81Å; S501-Y503 PolarHBondContact O-N 3.48Å; S501-Y503 PolarHBondContact OG-N 2.99Å; Y503-A505 PolarHBondContact O-N 2.61Å; Y503-D570 HydrophobicContact CD2-CB 4.18Å; Y503-D570 HydrophobicContact CE2-CB 4.12Å; Y503-F573 VanDerWaalsContact CB-CD1 3.47Å; Y503-F573 AromaticContact CD1-CD1 3.82Å; Y503-F573 HydrophobicContact CD1-CD1 3.82Å; Y503-F573 AromaticContact CD1-CE1 3.71Å; Y503-F573 HydrophobicContact CD1-CE1 3.71Å; Y503-F573 AromaticContact CD2-CD1 3.69Å; Y503-F573 HydrophobicContact CD2-CD1 3.69Å; Y503-F573 HydrophobicContact CD2-CE1 4.42Å; Y503-F573 HydrophobicContact CD2-CG 4.5Å; Y503-F573 HydrophobicContact CE1-CD1 4.46Å; Y503-F573 HydrophobicContact CE1-CE1 4.44Å; Y503-F573 HydrophobicContact CE2-CD1 4.33Å; Y503-F573 AromaticContact CG-CD1 3.38Å; Y503-F573 HydrophobicContact CG-CD1 3.38Å; Y503-F573 AromaticContact CG-CE1 3.7Å; Y503-F573 HydrophobicContact CG-CE1 3.7Å; Y503-F573 HydrophobicContact CG-CG 4.36Å
504	C	97.1	Very high	93.5	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.034	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121.7	178.1	-172.1	0	0	0	0	110.3	F474 S501 V528	F474-C504 HydrophobicContact CE1-CB 4.34Å; F474-C504 HydrophobicContact CE2-CB 4.19Å; F474-C504 HydrophobicContact CZ-CB 3.82Å; S501-C504 PolarHBondContact O-N 3.08Å; C504-V528 HydrophobicContact CB-CG1 4.31Å; C504-V528 WeakPolarHBondContact O-CG1 3.27Å
505	A	96.8	Very high	93.2	Very high	27 Å²	27	36 Å²	36	22%	0.223	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-44.6	173	0	0	0	0	0	111.6	K473 F474 Y503 P529 T552	K473-A505 HydrophobicContact CB-CB 3.95Å; K473-A505 HydrophobicContact CD-CB 4.14Å; F474-A505 PolarHBondContact O-N 3.34Å; Y503-A505 PolarHBondContact O-N 2.61Å; A505-P529 WeakPolarHBondContact O-CD 3.22Å; A505-T552 HydrophobicContact CB-CG2 3.89Å
506	Q	96.4	Very high	92.8	Very high	21 Å²	21	41 Å²	41	10%	0.098	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	162.4	-176.2	65.3	-175	-31.7	0	0	110.4	T475 A476 P529 S549	T475-Q506 HydrophobicContact CG2-CG 3.71Å; T475-Q506 PolarHBondContact OG1-NE2 2.85Å; T475-Q506 VanDerWaalsContact OG1-NE2 3.14Å; A476-Q506 PolarHBondContact N-O 3.44Å; Q506-P529 HydrophobicContact CB-CG 3.8Å; Q506-S549 PolarHBondContact NE2-O 3.25Å
507	I	96.8	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.2	173.9	-52.5	170.4	0	0	0	109.2	A476 I478 L495 V498 A499 V509 V528 P529 V530 I531	A476-I507 HydrophobicContact CB-CB 4.48Å; A476-I507 HydrophobicContact CB-CG1 4.21Å; A476-I507 HydrophobicContact CB-CG2 4.17Å; A476-I507 CarbonylContact O-C 3.5Å; A476-I507 WeakPolarHBondContact O-CA 3.22Å; I478-I507 HydrophobicContact CD1-CG2 3.82Å; I478-I507 HydrophobicContact CG1-CG2 4.19Å; L495-I507 HydrophobicContact CD2-CB 4.43Å; L495-I507 HydrophobicContact CD2-CD1 4.12Å; L495-I507 HydrophobicContact CD2-CG2 3.67Å; V498-I507 HydrophobicContact CB-CD1 4.14Å; V498-I507 HydrophobicContact CG1-CD1 3.93Å; V498-I507 HydrophobicContact CG1-CG1 4.01Å; A499-I507 HydrophobicContact CB-CD1 3.92Å; I507-V509 HydrophobicContact CG2-CG2 4.44Å; I507-V528 HydrophobicContact CD1-CG2 3.79Å; I507-V528 HydrophobicContact CG1-CG2 3.88Å; I507-P529 PolarHBondContact N-O 2.88Å; I507-V530 HydrophobicContact CB-CG2 4.33Å; I507-V530 HydrophobicContact CD1-CG2 4.43Å; I507-V530 CarbonylContact O-C 3.54Å; I507-V530 VanDerWaalsContact O-CA 3.31Å; I507-V530 WeakPolarHBondContact O-CA 3.48Å; I507-I531 PolarHBondContact O-N 3.39Å
508	I	95.5	Very high	92.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.1	173.1	-60.4	176.1	0	0	0	107.8	T475 A476 V477 I478 L510 I531 I533 I550	T475-I508 HydrophobicContact CG2-CD1 3.74Å; T475-I508 HydrophobicContact CG2-CG1 4.01Å; A476-I508 PolarHBondContact O-N 3.43Å; V477-I508 CarbonylContact C-O 3.58Å; V477-I508 WeakPolarHBondContact CA-O 3.24Å; V477-I508 HydrophobicContact CG2-CB 4.44Å; I478-I508 PolarHBondContact N-O 2.88Å; I508-L510 HydrophobicContact CG2-CD2 3.82Å; I508-L510 HydrophobicContact CG2-CG 4.37Å; I508-I531 CarbonylContact C-O 3.45Å; I508-I531 VanDerWaalsContact CA-O 3.31Å; I508-I531 WeakPolarHBondContact CA-O 3.46Å; I508-I531 HydrophobicContact CG1-CB 4.48Å; I508-I533 HydrophobicContact CG2-CD1 3.69Å; I508-I533 HydrophobicContact CG2-CG1 4.09Å; I508-I550 HydrophobicContact CD1-CD1 4.48Å; I508-I550 HydrophobicContact CD1-CG1 3.59Å
509	V	94.2	Very high	91.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.7	171.8	-176.3	0	0	0	0	108	I478 A480 L495 I507 W511 W523 V530 I531 V532 I533	I478-V509 WeakPolarHBondContact O-CA 3.33Å; A480-V509 HydrophobicContact CB-CG1 3.97Å; L495-V509 HydrophobicContact CD2-CG2 3.93Å; I507-V509 HydrophobicContact CG2-CG2 4.44Å; V509-W511 PolarHBondContact O-N 3.42Å; V509-W523 HydrophobicContact CB-CH2 4.39Å; V509-W523 HydrophobicContact CB-CZ3 4.43Å; V509-W523 HydrophobicContact CG1-CH2 3.83Å; V509-W523 HydrophobicContact CG1-CZ3 4.09Å; V509-W523 HydrophobicContact CG2-CZ3 4.07Å; V509-V530 HydrophobicContact CG2-CG1 3.94Å; V509-I531 PolarHBondContact N-O 3.18Å; V509-V532 HydrophobicContact CB-CG1 4.38Å; V509-V532 HydrophobicContact CB-CG2 4.33Å; V509-V532 WeakPolarHBondContact O-CA 3.35Å; V509-I533 PolarHBondContact O-N 2.68Å
510	L	93.3	Very high	91	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107.5	174.8	-61.1	-179.3	0	0	0	108.8	V477 I478 A480 I508 N512 I533 R543 Y547	V477-L510 HydrophobicContact CG1-CD1 3.48Å; V477-L510 VanDerWaalsContact CG1-CD1 3.48Å; V477-L510 HydrophobicContact CG1-CG 3.86Å; I478-L510 PolarHBondContact O-N 3.46Å; A480-L510 PolarHBondContact N-O 3.45Å; I508-L510 HydrophobicContact CG2-CD2 3.82Å; I508-L510 HydrophobicContact CG2-CG 4.37Å; L510-N512 PolarHBondContact O-N 3.06Å; L510-I533 HydrophobicContact CD2-CB 4.05Å; L510-I533 HydrophobicContact CD2-CD1 4.47Å; L510-I533 HydrophobicContact CD2-CG2 4.47Å; L510-R543 VanDerWaalsContact CD1-CA 3.43Å; L510-R543 HydrophobicContact CD1-CB 3.82Å; L510-Y547 HydrophobicContact CD1-CE2 4.04Å; L510-Y547 HydrophobicContact CD2-CD2 4.44Å; L510-Y547 HydrophobicContact CD2-CE2 3.75Å
511	W	91.2	Very high	90.3	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	88.1	-176.2	-168.1	-98.5	0	0	0	111	A480 L484 V509 C513 K515 L517 P518 W523 V532 I533	A480-W511 HydrophobicContact CB-CE3 3.97Å; A480-W511 HydrophobicContact CB-CZ3 4.23Å; L484-W511 HydrophobicContact CG-CH2 4.1Å; L484-W511 HydrophobicContact CG-CZ3 4.08Å; V509-W511 PolarHBondContact O-N 3.42Å; W511-C513 VanDerWaalsContact C-N 3.35Å; W511-C513 HydrophobicContact CD2-CB 4.3Å; W511-C513 HydrophobicContact CH2-CB 4.46Å; W511-C513 HydrophobicContact CZ2-CB 3.74Å; W511-K515 PolarHBondContact NE1-O 3.26Å; W511-L517 HydrophobicContact CB-CD2 3.76Å; W511-L517 HydrophobicContact CD2-CD2 3.87Å; W511-L517 HydrophobicContact CG-CD2 3.45Å; W511-L517 VanDerWaalsContact CG-CD2 3.45Å; W511-L517 HydrophobicContact CG-CG 4.4Å; W511-P518 VanDerWaalsContact CH2-CD 3.5Å; W511-P518 HydrophobicContact CH2-CG 3.39Å; W511-P518 VanDerWaalsContact CZ2-CD 3.49Å; W511-P518 HydrophobicContact CZ2-CG 3.84Å; W511-P518 HydrophobicContact CZ3-CG 3.84Å; W511-W523 HydrophobicContact CE3-CH2 4.07Å; W511-W523 HydrophobicContact CE3-CZ2 4.29Å; W511-W523 AromaticContact CZ3-CH2 3.98Å; W511-W523 HydrophobicContact CZ3-CH2 3.98Å; W511-W523 HydrophobicContact CZ3-CZ2 4.23Å; W511-V532 HydrophobicContact CB-CG1 4.05Å; W511-I533 PolarHBondContact N-O 3.16Å
512	N	87.4	Confident	89.8	Confident	14 Å²	14	57.9 Å²	57.9	8%	0.075	29%	0.289	C	S	.	.			trans	-102.1	40.2	175	-73.6	21.1	0	0	0	111.1	H479 A480 V481 L510 K538 V539	H479-N512 WeakPolarHBondContact NE2-CB 3.21Å; H479-N512 PolarHBondContact NE2-ND2 3.03Å; A480-N512 CarbonylContact O-C 3.51Å; A480-N512 WeakPolarHBondContact O-CA 3.17Å; A480-N512 PolarHBondContact O-N 3.49Å; V481-N512 HydrophobicContact CG1-CB 4.37Å; L510-N512 PolarHBondContact O-N 3.06Å; N512-K538 HydrophobicContact CB-CB 4.24Å; N512-V539 PolarHBondContact ND2-O 3.14Å
513	C	85.1	Confident	89.4	Confident	6 Å²	6	53.5 Å²	53.5	4%	0.041	27%	0.266	C	S	.	.			trans	-104.2	139.2	173.2	-171.3	0	0	0	0	109.7	W511 K515 K538	W511-C513 VanDerWaalsContact C-N 3.35Å; W511-C513 HydrophobicContact CD2-CB 4.3Å; W511-C513 HydrophobicContact CH2-CB 4.46Å; W511-C513 HydrophobicContact CZ2-CB 3.74Å; C513-K515 PolarHBondContact O-N 3.12Å; C513-K515 VanDerWaalsContact O-N 3.16Å; C513-K538 PolarHBondContact O-NZ 3.47Å
514	D	84.6	Confident	88.9	Confident	144 Å²	144	51.8 Å²	51.8	77%	0.77	26%	0.263	S	S	*	.	S	Bend	trans	-68.6	-10.4	176.5	-60.6	-36.9	0	0	0	113.4
515	K	85.6	Confident	88.4	Confident	126 Å²	126	56.8 Å²	56.8	55%	0.548	30%	0.304	S	S	.	.	S	Bend	trans	-85	149.5	176.6	-62.4	-58.8	-177.3	-174.2	0	111	P483 W511 C513	P483-K515 HydrophobicContact CB-CB 4.15Å; P483-K515 HydrophobicContact CB-CG 4.08Å; P483-K515 HydrophobicContact CG-CG 4.36Å; W511-K515 PolarHBondContact NE1-O 3.26Å; C513-K515 PolarHBondContact O-N 3.12Å; C513-K515 VanDerWaalsContact O-N 3.16Å
516	P	84.7	Confident	88.1	Confident	105 Å²	105	57.6 Å²	57.6	68%	0.682	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-61.6	152.7	-179.3	26.4	-35.6	0	0	0	111.6
517	L	85.8	Confident	87.7	Confident	73 Å²	73	61.2 Å²	61.2	38%	0.382	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-52.4	131	178.7	-78.5	167.4	0	0	0	111.6	W511 V532 E534	W511-L517 HydrophobicContact CB-CD2 3.76Å; W511-L517 HydrophobicContact CD2-CD2 3.87Å; W511-L517 HydrophobicContact CG-CD2 3.45Å; W511-L517 VanDerWaalsContact CG-CD2 3.45Å; W511-L517 HydrophobicContact CG-CG 4.4Å; L517-V532 HydrophobicContact CD2-CB 4.49Å; L517-V532 HydrophobicContact CD2-CG1 3.44Å; L517-V532 VanDerWaalsContact CD2-CG1 3.44Å; L517-E534 HydrophobicContact CD1-CB 4.32Å
518	P	84.8	Confident	87.5	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.058	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-60.2	138.3	174.8	-24.2	34.4	0	0	0	111.3	L484 W511 R522 W523	L484-P518 HydrophobicContact CB-CB 4.31Å; L484-P518 HydrophobicContact CB-CG 3.85Å; L484-P518 HydrophobicContact CD1-CB 3.98Å; L484-P518 HydrophobicContact CD1-CG 3.7Å; L484-P518 HydrophobicContact CG-CG 3.87Å; W511-P518 VanDerWaalsContact CH2-CD 3.5Å; W511-P518 HydrophobicContact CH2-CG 3.39Å; W511-P518 VanDerWaalsContact CZ2-CD 3.49Å; W511-P518 HydrophobicContact CZ2-CG 3.84Å; W511-P518 HydrophobicContact CZ3-CG 3.84Å; P518-R522 HydrophobicContact CB-CB 4.27Å; P518-W523 HydrophobicContact CB-CZ2 4.29Å; P518-W523 HydrophobicContact CG-CZ2 4Å; P518-W523 PolarHBondContact O-NE1 3.24Å
519	A	84.8	Confident	87.4	Confident	42 Å²	42	65.8 Å²	65.8	35%	0.347	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-56.4	147	175.8	0	0	0	0	0	111.7	H521 R522	A519-H521 VanDerWaalsContact CB-CE1 3.4Å; A519-H521 WeakPolarHBondContact CB-CE1 3.36Å; A519-H521 PolarHBondContact O-N 3.42Å; A519-R522 WeakPolarHBondContact O-CB 3.4Å; A519-R522 PolarHBondContact O-N 3.03Å
520	K	82.6	Confident	87.4	Confident	197 Å²	197	67.8 Å²	67.8	86%	0.857	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-49.4	-38.2	-173	-72	-173.3	176.8	-178.1	0	114.5	R522 W523	K520-R522 PolarHBondContact O-N 3.04Å; K520-W523 PolarHBondContact O-N 3.24Å
521	H	83.1	Confident	87.4	Confident	153 Å²	153	70.5 Å²	70.5	71%	0.708	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-67.1	-16.5	-179.8	68.1	-95.3	0	0	0	114.6	A519 W523	A519-H521 VanDerWaalsContact CB-CE1 3.4Å; A519-H521 WeakPolarHBondContact CB-CE1 3.36Å; A519-H521 PolarHBondContact O-N 3.42Å; H521-W523 VanDerWaalsContact C-N 3.34Å
522	R	84.6	Confident	87.4	Confident	99 Å²	99	72.7 Å²	72.7	37%	0.374	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-80.2	-17.8	177.4	-73	-167	-100.9	171.1	-5.8	112.8	L484 Q487 P518 A519 K520	L484-R522 PolarHBondContact O-NH1 3.34Å; Q487-R522 PolarHBondContact NE2-O 2.99Å; Q487-R522 VanDerWaalsContact NE2-O 3.11Å; P518-R522 HydrophobicContact CB-CB 4.27Å; A519-R522 WeakPolarHBondContact O-CB 3.4Å; A519-R522 PolarHBondContact O-N 3.03Å; K520-R522 PolarHBondContact O-N 3.04Å
523	W	86	Confident	87.6	Confident	38 Å²	38	73.6 Å²	73.6	14%	0.144	41%	0.408	C	S	.	.	S	Bend	trans	-83.4	142.8	176.9	-61.2	95.6	0	0	0	110.4	L484 L495 V509 W511 P518 K520 H521 V532	L484-W523 HydrophobicContact CD1-CD2 4.2Å; L484-W523 HydrophobicContact CD1-CE3 4.06Å; L484-W523 HydrophobicContact CD1-CH2 3.77Å; L484-W523 HydrophobicContact CD1-CZ2 3.92Å; L484-W523 HydrophobicContact CD1-CZ3 3.84Å; L495-W523 HydrophobicContact CD1-CE3 3.94Å; L495-W523 HydrophobicContact CD1-CZ3 3.94Å; V509-W523 HydrophobicContact CB-CH2 4.39Å; V509-W523 HydrophobicContact CB-CZ3 4.43Å; V509-W523 HydrophobicContact CG1-CH2 3.83Å; V509-W523 HydrophobicContact CG1-CZ3 4.09Å; V509-W523 HydrophobicContact CG2-CZ3 4.07Å; W511-W523 HydrophobicContact CE3-CH2 4.07Å; W511-W523 HydrophobicContact CE3-CZ2 4.29Å; W511-W523 AromaticContact CZ3-CH2 3.98Å; W511-W523 HydrophobicContact CZ3-CH2 3.98Å; W511-W523 HydrophobicContact CZ3-CZ2 4.23Å; P518-W523 HydrophobicContact CB-CZ2 4.29Å; P518-W523 HydrophobicContact CG-CZ2 4Å; P518-W523 PolarHBondContact O-NE1 3.24Å; K520-W523 PolarHBondContact O-N 3.24Å; H521-W523 VanDerWaalsContact C-N 3.34Å; W523-V532 HydrophobicContact CH2-CG2 4.19Å; W523-V532 HydrophobicContact CZ2-CG1 4.23Å; W523-V532 HydrophobicContact CZ2-CG2 3.88Å
524	P	86.9	Confident	87.7	Confident	27 Å²	27	77.6 Å²	77.6	18%	0.175	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-70.1	141.7	-178.5	28.2	-31.6	0	0	0	110.6	L495 V496 T526	L495-P524 HydrophobicContact CB-CG 4.04Å; L495-P524 HydrophobicContact CD1-CG 4.23Å; V496-P524 HydrophobicContact CG2-CB 3.81Å; V496-P524 HydrophobicContact CG2-CG 4.16Å; P524-T526 HydrophobicContact CB-CG2 4.43Å; P524-T526 HydrophobicContact CG-CG2 4.17Å; P524-T526 PolarHBondContact O-N 3.49Å
525	A	86.4	Confident	87.2	Confident	109 Å²	109	71.4 Å²	71.4	90%	0.901	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-65.1	121.9	166.6	0	0	0	0	0	108.8
526	T	89.7	Confident	86.7	Confident	44 Å²	44	74.5 Å²	74.5	27%	0.27	41%	0.412	S	S	.	.			trans	-126.7	152.1	-171.9	41.9	0	0	0	0	110.1	A499 P524 V528 V530	A499-T526 HydrophobicContact CB-CG2 3.59Å; P524-T526 HydrophobicContact CB-CG2 4.43Å; P524-T526 HydrophobicContact CG-CG2 4.17Å; P524-T526 PolarHBondContact O-N 3.49Å; T526-V528 PolarHBondContact O-N 3.37Å; T526-V528 PolarHBondContact OG1-O 3.46Å; T526-V528 VanDerWaalsContact OG1-O 3.08Å; T526-V530 HydrophobicContact CG2-CG2 4.23Å; T526-V530 VanDerWaalsContact OG1-CG2 3.26Å; T526-V530 WeakPolarHBondContact OG1-CG2 3.33Å
527	S	88.9	Confident	86.4	Confident	98 Å²	98	75 Å²	75	69%	0.685	41%	0.409	S	S	*	.	S	Bend	trans	-72.9	-14.9	177.3	35.3	0	0	0	0	113.7	A499	A499-S527 PolarHBondContact O-OG 3.49Å
528	V	92.9	Very high	86.2	Confident	18 Å²	18	75 Å²	75	11%	0.109	41%	0.406	C	S	.	.	S	Bend	trans	-121.9	151	-179.1	-61.3	0	0	0	0	109.4	A499 C504 I507 T526 V530	A499-V528 HydrophobicContact CB-CG2 3.7Å; C504-V528 HydrophobicContact CB-CG1 4.31Å; C504-V528 WeakPolarHBondContact O-CG1 3.27Å; I507-V528 HydrophobicContact CD1-CG2 3.79Å; I507-V528 HydrophobicContact CG1-CG2 3.88Å; T526-V528 PolarHBondContact O-N 3.37Å; T526-V528 PolarHBondContact OG1-O 3.46Å; T526-V528 VanDerWaalsContact OG1-O 3.08Å; V528-V530 PolarHBondContact O-N 3.13Å
529	P	93.8	Very high	86.3	Confident	77 Å²	77	76.7 Å²	76.7	50%	0.5	42%	0.416	S	S	.	.			trans	-63	133.6	178.8	25.1	-33.4	0	0	0	111.2	A505 Q506 I507	A505-P529 WeakPolarHBondContact O-CD 3.22Å; Q506-P529 HydrophobicContact CB-CG 3.8Å; I507-P529 PolarHBondContact N-O 2.88Å
530	V	93.6	Very high	86.1	Confident	43 Å²	43	76.5 Å²	76.5	26%	0.261	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.2	172.1	-179.4	0	0	0	0	108.4	L495 I507 V509 T526 V528	L495-V530 HydrophobicContact CD2-CG1 4.37Å; I507-V530 HydrophobicContact CB-CG2 4.33Å; I507-V530 HydrophobicContact CD1-CG2 4.43Å; I507-V530 CarbonylContact O-C 3.54Å; I507-V530 VanDerWaalsContact O-CA 3.31Å; I507-V530 WeakPolarHBondContact O-CA 3.48Å; V509-V530 HydrophobicContact CG2-CG1 3.94Å; T526-V530 HydrophobicContact CG2-CG2 4.23Å; T526-V530 VanDerWaalsContact OG1-CG2 3.26Å; T526-V530 WeakPolarHBondContact OG1-CG2 3.33Å; V528-V530 PolarHBondContact O-N 3.13Å
531	I	92.9	Very high	86.3	Confident	58 Å²	58	67.7 Å²	67.7	30%	0.297	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.1	178.3	-55.5	175.5	0	0	0	107.5	I507 I508 V509 I533	I507-I531 PolarHBondContact O-N 3.39Å; I508-I531 CarbonylContact C-O 3.45Å; I508-I531 VanDerWaalsContact CA-O 3.31Å; I508-I531 WeakPolarHBondContact CA-O 3.46Å; I508-I531 HydrophobicContact CG1-CB 4.48Å; V509-I531 PolarHBondContact N-O 3.18Å; I531-I533 HydrophobicContact CG2-CG1 4.08Å
532	V	91.8	Very high	86.5	Confident	47 Å²	47	60.7 Å²	60.7	29%	0.285	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	120.9	176.1	-169.1	0	0	0	0	108.3	V509 W511 L517 W523	V509-V532 HydrophobicContact CB-CG1 4.38Å; V509-V532 HydrophobicContact CB-CG2 4.33Å; V509-V532 WeakPolarHBondContact O-CA 3.35Å; W511-V532 HydrophobicContact CB-CG1 4.05Å; L517-V532 HydrophobicContact CD2-CB 4.49Å; L517-V532 HydrophobicContact CD2-CG1 3.44Å; L517-V532 VanDerWaalsContact CD2-CG1 3.44Å; W523-V532 HydrophobicContact CH2-CG2 4.19Å; W523-V532 HydrophobicContact CZ2-CG1 4.23Å; W523-V532 HydrophobicContact CZ2-CG2 3.88Å
533	I	90.6	Very high	86.8	Confident	33 Å²	33	56 Å²	56	17%	0.169	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.2	178.8	-58	178.3	0	0	0	107.3	I508 V509 L510 W511 I531 Y547	I508-I533 HydrophobicContact CG2-CD1 3.69Å; I508-I533 HydrophobicContact CG2-CG1 4.09Å; V509-I533 PolarHBondContact O-N 2.68Å; L510-I533 HydrophobicContact CD2-CB 4.05Å; L510-I533 HydrophobicContact CD2-CD1 4.47Å; L510-I533 HydrophobicContact CD2-CG2 4.47Å; W511-I533 PolarHBondContact N-O 3.16Å; I531-I533 HydrophobicContact CG2-CG1 4.08Å; I533-Y547 HydrophobicContact CD1-CD1 4.16Å; I533-Y547 HydrophobicContact CD1-CG 4.4Å; I533-Y547 HydrophobicContact CG2-CE1 4.14Å
534	E	87.4	Confident	87.2	Confident	90 Å²	90	54.1 Å²	54.1	42%	0.421	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.5	167.5	-176	163.2	-155.5	0	0	108.2	L517 K538	L517-E534 HydrophobicContact CD1-CB 4.32Å; E534-K538 IonicContact OE1-NZ 3.84Å; E534-K538 PolarHBondContact OE1-NZ 2.77Å
535	G	75.4	Confident	87.5	Confident	13 Å²	13	56.1 Å²	56.1	13%	0.134	32%	0.324	C	S	.	.			trans	-73.4	143.1	-179.7	0	0	0	0	0	111.8	N537	G535-N537 VanDerWaalsContact C-N 3.27Å; G535-N537 PolarHBondContact O-N 2.87Å
536	E	75	Confident	87.8	Confident	191 Å²	191	53.7 Å²	53.7	89%	0.893	30%	0.299	S	S	*	.	S	Bend	trans	-59	-41.1	175.4	-63.1	-179.2	174.2	0	0	111.7
537	N	78.3	Confident	87.9	Confident	115 Å²	115	53.5 Å²	53.5	62%	0.615	29%	0.293	S	S	*	.	S	Bend	trans	-116.1	118.5	175.3	-65.5	-45.9	0	0	0	109.7	G535 V539 S542	G535-N537 VanDerWaalsContact C-N 3.27Å; G535-N537 PolarHBondContact O-N 2.87Å; N537-V539 PolarHBondContact O-N 3.06Å; N537-S542 PolarHBondContact O-OG 3.15Å
538	K	81.9	Confident	88	Confident	74 Å²	74	58 Å²	58	32%	0.322	30%	0.303	S	S	.	.			trans	-82.5	55.7	-177.5	-61.9	-177.2	178.7	179.4	0	111.8	N512 C513 E534	N512-K538 HydrophobicContact CB-CB 4.24Å; C513-K538 PolarHBondContact O-NZ 3.47Å; E534-K538 IonicContact OE1-NZ 3.84Å; E534-K538 PolarHBondContact OE1-NZ 2.77Å
539	V	85.4	Confident	88	Confident	44 Å²	44	59.2 Å²	59.2	27%	0.267	31%	0.313	S	S	.	.			trans	-100.7	161.9	178.8	-62.2	0	0	0	0	112.1	N512 N537 S542 D641	N512-V539 PolarHBondContact ND2-O 3.14Å; N537-V539 PolarHBondContact O-N 3.06Å; V539-S542 WeakPolarHBondContact CG2-OG 3.38Å; V539-S542 WeakPolarHBondContact O-CB 3.33Å; V539-S542 PolarHBondContact O-N 2.7Å; V539-S542 PolarHBondContact O-OG 3.13Å; V539-D641 HydrophobicContact CB-CB 4.22Å; V539-D641 HydrophobicContact CG1-CB 4.19Å
540	M	81.2	Confident	88	Confident	39 Å²	39	56.2 Å²	56.2	19%	0.192	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-68.1	-34.7	-178	-76.7	-134	72.3	0	0	113.4	S542 A644	M540-S542 PolarHBondContact O-N 2.65Å; M540-A644 HydrophobicContact CG-CB 4.27Å
541	S	86.8	Confident	87.9	Confident	12 Å²	12	58.6 Å²	58.6	8%	0.084	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-71.4	-12.6	-179	70.7	0	0	0	0	114.1	R543 F544 D641	S541-R543 PolarHBondContact O-N 3.19Å; S541-F544 PolarHBondContact O-N 3.43Å; S541-D641 WeakPolarHBondContact CB-OD1 3.24Å; S541-D641 VanDerWaalsContact OG-CG 3.3Å; S541-D641 PolarHBondContact OG-OD1 3.46Å; S541-D641 PolarHBondContact OG-OD2 3.26Å
542	S	87.8	Confident	88.1	Confident	5 Å²	5	55.9 Å²	55.9	4%	0.035	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-55	-28.5	-180	-57.7	0	0	0	0	112.5	N537 V539 M540 F544 L545 Y547	N537-S542 PolarHBondContact O-OG 3.15Å; V539-S542 WeakPolarHBondContact CG2-OG 3.38Å; V539-S542 WeakPolarHBondContact O-CB 3.33Å; V539-S542 PolarHBondContact O-N 2.7Å; V539-S542 PolarHBondContact O-OG 3.13Å; M540-S542 PolarHBondContact O-N 2.65Å; S542-F544 PolarHBondContact O-N 2.98Å; S542-F544 VanDerWaalsContact O-N 3.14Å; S542-L545 WeakPolarHBondContact O-CB 3.13Å; S542-L545 WeakPolarHBondContact O-CG 3.17Å; S542-L545 PolarHBondContact O-N 3.24Å; S542-L545 VanDerWaalsContact O-N 3.13Å; S542-Y547 VanDerWaalsContact O-CE2 3.3Å; S542-Y547 WeakPolarHBondContact O-CE2 3.39Å; S542-Y547 PolarHBondContact O-OH 3.25Å; S542-Y547 VanDerWaalsContact O-OH 3.05Å
543	R	90.6	Very high	88.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20.3	176.8	75.1	-175.2	-66.7	167.1	7.2	115	L510 S541 S557 D559 T615 H625	L510-R543 VanDerWaalsContact CD1-CA 3.43Å; L510-R543 HydrophobicContact CD1-CB 3.82Å; S541-R543 PolarHBondContact O-N 3.19Å; R543-S557 VanDerWaalsContact CZ-OG 3.31Å; R543-S557 PolarHBondContact NE-OG 3.03Å; R543-S557 VanDerWaalsContact NE-OG 3.09Å; R543-S557 PolarHBondContact NH2-OG 2.71Å; R543-D559 IonicContact CZ-OD1 3.98Å; R543-D559 IonicContact NH1-OD1 3.25Å; R543-D559 PolarHBondContact NH1-OD1 2.91Å; R543-D559 IonicContact NH2-OD1 3.06Å; R543-T615 PolarHBondContact NH2-O 2.99Å; R543-T615 VanDerWaalsContact NH2-O 3.11Å; R543-H625 PolarHBondContact O-CE1 3.29Å; R543-H625 VanDerWaalsContact O-CE1 3.24Å
544	F	94	Very high	88.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-100.9	7.6	179.9	-55.5	-48.2	0	0	0	113.6	S541 S542 T615 F620 H625 Y628 E647 M651	S541-F544 PolarHBondContact O-N 3.43Å; S542-F544 PolarHBondContact O-N 2.98Å; S542-F544 VanDerWaalsContact O-N 3.14Å; F544-T615 HydrophobicContact CE1-CG2 4.24Å; F544-T615 HydrophobicContact CZ-CG2 3.98Å; F544-F620 HydrophobicContact CD1-CZ 4.24Å; F544-F620 AromaticContact CE1-CZ 3.97Å; F544-F620 HydrophobicContact CE1-CZ 3.97Å; F544-H625 VanDerWaalsContact O-CA 3.28Å; F544-H625 WeakPolarHBondContact O-CA 3.42Å; F544-H625 WeakPolarHBondContact O-CB 3.3Å; F544-Y628 HydrophobicContact CB-CD1 3.84Å; F544-Y628 HydrophobicContact CB-CE1 4.28Å; F544-Y628 HydrophobicContact CB-CG 3.99Å; F544-Y628 HydrophobicContact CD2-CD1 4.31Å; F544-Y628 HydrophobicContact CD2-CD2 4.1Å; F544-Y628 HydrophobicContact CD2-CE1 4.07Å; F544-Y628 AromaticContact CD2-CE2 3.82Å; F544-Y628 HydrophobicContact CD2-CE2 3.82Å; F544-Y628 HydrophobicContact CD2-CG 4.34Å; F544-Y628 AromaticContact CD2-CZ 3.81Å; F544-Y628 HydrophobicContact CE2-CE2 4.26Å; F544-Y628 HydrophobicContact CG-CG 4.46Å; F544-E647 HydrophobicContact CE2-CB 3.78Å; F544-E647 HydrophobicContact CE2-CG 3.69Å; F544-E647 HydrophobicContact CZ-CG 4.16Å; F544-M651 HydrophobicContact CB-CE 4.01Å; F544-M651 HydrophobicContact CD1-CE 3.37Å; F544-M651 HydrophobicContact CD2-CE 3.94Å; F544-M651 HydrophobicContact CE1-CE 3.71Å; F544-M651 HydrophobicContact CE2-CB 4.44Å; F544-M651 HydrophobicContact CE2-CE 4.21Å; F544-M651 HydrophobicContact CG-CE 3.5Å; F544-M651 HydrophobicContact CZ-CB 4.24Å; F544-M651 HydrophobicContact CZ-CE 4.12Å
545	L	92.8	Very high	89.1	Confident	68 Å²	68	48.6 Å²	48.6	36%	0.356	26%	0.256	S	S	.	.	S	Bend	trans	-67.6	145.4	174.3	-65.4	173.8	0	0	0	110.7	S542 Y547 H625	S542-L545 WeakPolarHBondContact O-CB 3.13Å; S542-L545 WeakPolarHBondContact O-CG 3.17Å; S542-L545 PolarHBondContact O-N 3.24Å; S542-L545 VanDerWaalsContact O-N 3.13Å; L545-Y547 HydrophobicContact CB-CD2 4.31Å; L545-Y547 HydrophobicContact CB-CE1 4.4Å; L545-Y547 HydrophobicContact CB-CE2 3.89Å; L545-Y547 VanDerWaalsContact O-CD2 3.27Å; L545-Y547 WeakPolarHBondContact O-CD2 3.44Å; L545-Y547 PolarHBondContact O-N 3.28Å; L545-H625 PolarHBondContact O-ND1 3.28Å
546	P	93.2	Very high	90.2	Very high	58 Å²	58	48.1 Å²	48.1	38%	0.377	25%	0.25	S	C	.	.			trans	-78.1	70.7	179	32.9	-36.5	0	0	0	110.5	E548 H625 T629	P546-E548 PolarHBondContact O-N 3.18Å; P546-H625 HydrophobicContact CB-CB 4.5Å; P546-T629 WeakPolarHBondContact CD-OG1 3.47Å
547	Y	92.5	Very high	91.2	Very high	41 Å²	41	39 Å²	39	16%	0.161	21%	0.207	C	C	.	.			trans	-62.7	129.7	177.1	-63.3	-74.9	0	0	0	111.2	L510 I533 S542 L545 S549 I550	L510-Y547 HydrophobicContact CD1-CE2 4.04Å; L510-Y547 HydrophobicContact CD2-CD2 4.44Å; L510-Y547 HydrophobicContact CD2-CE2 3.75Å; I533-Y547 HydrophobicContact CD1-CD1 4.16Å; I533-Y547 HydrophobicContact CD1-CG 4.4Å; I533-Y547 HydrophobicContact CG2-CE1 4.14Å; S542-Y547 VanDerWaalsContact O-CE2 3.3Å; S542-Y547 WeakPolarHBondContact O-CE2 3.39Å; S542-Y547 PolarHBondContact O-OH 3.25Å; S542-Y547 VanDerWaalsContact O-OH 3.05Å; L545-Y547 HydrophobicContact CB-CD2 4.31Å; L545-Y547 HydrophobicContact CB-CE1 4.4Å; L545-Y547 HydrophobicContact CB-CE2 3.89Å; L545-Y547 VanDerWaalsContact O-CD2 3.27Å; L545-Y547 WeakPolarHBondContact O-CD2 3.44Å; L545-Y547 PolarHBondContact O-N 3.28Å; Y547-S549 PolarHBondContact O-N 3.01Å; Y547-S549 VanDerWaalsContact O-N 3.13Å; Y547-I550 HydrophobicContact CD2-CD1 4.14Å; Y547-I550 WeakPolarHBondContact O-CB 3.28Å; Y547-I550 PolarHBondContact O-N 3.4Å
548	E	91.1	Very high	92	Very high	192 Å²	192	33.5 Å²	33.5	90%	0.897	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-27.2	178.8	-63.1	-175.1	170.2	0	0	112.8	P546 I550	P546-E548 PolarHBondContact O-N 3.18Å; E548-I550 PolarHBondContact O-N 3.43Å
549	S	92.6	Very high	92.5	Very high	44 Å²	44	31.5 Å²	31.5	31%	0.308	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.2	175.1	-45.5	0	0	0	0	113.2	Q506 Y547 V551	Q506-S549 PolarHBondContact NE2-O 3.25Å; Y547-S549 PolarHBondContact O-N 3.01Å; Y547-S549 VanDerWaalsContact O-N 3.13Å; S549-V551 PolarHBondContact O-N 3.2Å
550	I	94.1	Very high	92.7	Very high	13 Å²	13	31 Å²	31	7%	0.067	17%	0.165	C	C	.	.			trans	-84.4	89.4	179.6	-58.2	172.4	0	0	0	109.7	T475 V477 I508 Y547 E548 V555 R622	T475-I550 HydrophobicContact CG2-CG1 4.34Å; V477-I550 HydrophobicContact CG2-CD1 4.06Å; I508-I550 HydrophobicContact CD1-CD1 4.48Å; I508-I550 HydrophobicContact CD1-CG1 3.59Å; Y547-I550 HydrophobicContact CD2-CD1 4.14Å; Y547-I550 WeakPolarHBondContact O-CB 3.28Å; Y547-I550 PolarHBondContact O-N 3.4Å; E548-I550 PolarHBondContact O-N 3.43Å; I550-V555 HydrophobicContact CG2-CG2 3.65Å; I550-R622 HydrophobicContact CG2-CB 4.32Å
551	V	91.4	Very high	92.9	Very high	94 Å²	94	32.2 Å²	32.2	57%	0.57	17%	0.173	S	C	*	.			trans	-90	-20.1	-178	-62.1	0	0	0	0	114.3	S549 R622	S549-V551 PolarHBondContact O-N 3.2Å; V551-R622 PolarHBondContact O-NH1 3.03Å; V551-R622 VanDerWaalsContact O-NH1 3.17Å
552	T	95.8	Very high	93	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-86.7	146.7	-175.5	56.3	0	0	0	0	112.3	Y471 T475 A505 A554 R622	Y471-T552 HydrophobicContact CD1-CG2 3.89Å; Y471-T552 HydrophobicContact CE1-CG2 3.98Å; T475-T552 WeakPolarHBondContact CB-OG1 3.38Å; T475-T552 PolarHBondContact N-OG1 2.92Å; T475-T552 PolarHBondContact OG1-OG1 2.71Å; A505-T552 HydrophobicContact CB-CG2 3.89Å; T552-A554 VanDerWaalsContact C-N 3.33Å; T552-A554 PolarHBondContact O-N 3.36Å; T552-A554 PolarHBondContact OG1-O 3.29Å; T552-R622 WeakPolarHBondContact O-CD 3.47Å
553	D	95.6	Very high	93	Very high	18 Å²	18	35.2 Å²	35.2	10%	0.096	19%	0.191	C	C	.	.	S	Bend	trans	-61	-41.4	176.3	-61.4	-28.9	0	0	0	112.6	Y463 Y471 W576 H621 R622	Y463-D553 PolarHBondContact OH-OD2 3.4Å; Y471-D553 VanDerWaalsContact CB-OD2 3.31Å; Y471-D553 WeakPolarHBondContact CB-OD2 3.39Å; Y471-D553 PolarHBondContact N-OD2 2.59Å; D553-W576 HydrophobicContact CB-CH2 4.13Å; D553-H621 CarbonylContact O-C 3.52Å; D553-H621 VanDerWaalsContact O-CA 3.32Å; D553-H621 WeakPolarHBondContact O-CA 3.26Å; D553-H621 PolarHBondContact O-CD2 3.06Å; D553-H621 IonicContact OD1-NE2 2.82Å; D553-R622 PolarHBondContact O-N 2.98Å; D553-R622 IonicContact OD1-CZ 3.85Å; D553-R622 IonicContact OD1-NE 2.71Å; D553-R622 PolarHBondContact OD1-NE 3.26Å; D553-R622 IonicContact OD1-NH2 3.38Å; D553-R622 PolarHBondContact OD1-NH2 2.88Å
554	A	97.8	Very high	93	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	131.3	177.6	0	0	0	0	0	112.1	F474 T475 T552 F573 W576	F474-A554 WeakPolarHBondContact CA-O 3.32Å; F474-A554 HydrophobicContact CB-CB 3.59Å; T475-A554 PolarHBondContact N-O 3.42Å; T475-A554 VanDerWaalsContact N-O 3.11Å; T552-A554 VanDerWaalsContact C-N 3.33Å; T552-A554 PolarHBondContact O-N 3.36Å; T552-A554 PolarHBondContact OG1-O 3.29Å; A554-F573 HydrophobicContact CB-CD2 4.21Å; A554-F573 HydrophobicContact CB-CE2 3.75Å; A554-W576 HydrophobicContact CB-CD2 4.11Å; A554-W576 HydrophobicContact CB-CE3 3.69Å; A554-W576 HydrophobicContact CB-CH2 3.61Å; A554-W576 HydrophobicContact CB-CZ2 4.02Å; A554-W576 HydrophobicContact CB-CZ3 3.45Å; A554-W576 VanDerWaalsContact CB-CZ3 3.45Å
555	V	98	Very high	92.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.8	170.8	-177	0	0	0	0	109	T475 V477 I550 M619 F620 R622	T475-V555 WeakPolarHBondContact O-CA 3.34Å; V477-V555 HydrophobicContact CB-CG1 4.36Å; V477-V555 HydrophobicContact CG2-CG1 3.73Å; I550-V555 HydrophobicContact CG2-CG2 3.65Å; V555-M619 VanDerWaalsContact O-CA 3.28Å; V555-M619 WeakPolarHBondContact O-CA 3.11Å; V555-F620 HydrophobicContact CB-CE2 4.38Å; V555-F620 PolarHBondContact N-O 3.37Å; V555-F620 PolarHBondContact O-N 3.23Å; V555-F620 VanDerWaalsContact O-N 3.1Å; V555-R622 HydrophobicContact CG2-CB 3.85Å
556	L	97.7	Very high	93	Very high	2 Å²	2	36 Å²	36	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107	169.4	173.3	59.7	0	0	0	108.8	F474 T475 A476 V477 L558 V569 M619	F474-L556 HydrophobicContact CD2-CB 3.73Å; F474-L556 HydrophobicContact CD2-CD2 4.33Å; F474-L556 HydrophobicContact CE2-CB 3.96Å; F474-L556 HydrophobicContact CE2-CD2 3.7Å; F474-L556 HydrophobicContact CE2-CG 4.48Å; F474-L556 HydrophobicContact CZ-CD2 4.21Å; T475-L556 PolarHBondContact O-N 3.33Å; A476-L556 CarbonylContact C-O 3.54Å; A476-L556 WeakPolarHBondContact CA-O 3.26Å; A476-L556 HydrophobicContact CB-CB 4.5Å; V477-L556 PolarHBondContact N-O 2.94Å; L556-L558 HydrophobicContact CD1-CD2 4.02Å; L556-L558 HydrophobicContact CD1-CG 4.19Å; L556-L558 HydrophobicContact CD2-CD1 3.85Å; L556-L558 HydrophobicContact CD2-CD2 4.5Å; L556-L558 HydrophobicContact CD2-CG 4.3Å; L556-L558 HydrophobicContact CG-CD1 3.93Å; L556-L558 HydrophobicContact CG-CD2 4.22Å; L556-L558 HydrophobicContact CG-CG 3.89Å; L556-V569 HydrophobicContact CD2-CG1 3.89Å; L556-V569 HydrophobicContact CD2-CG2 4.48Å; L556-M619 HydrophobicContact CB-CE 3.91Å; L556-M619 HydrophobicContact CB-CG 3.92Å; L556-M619 HydrophobicContact CD1-CE 3.8Å; L556-M619 HydrophobicContact CD1-CG 3.54Å; L556-M619 HydrophobicContact CD2-CE 3.75Å; L556-M619 HydrophobicContact CG-CE 4Å; L556-M619 HydrophobicContact CG-CG 4.27Å
557	S	97.2	Very high	93	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.1	179.9	-147.1	0	0	0	0	110.3	R543 T615 A617 A618	R543-S557 VanDerWaalsContact CZ-OG 3.31Å; R543-S557 PolarHBondContact NE-OG 3.03Å; R543-S557 VanDerWaalsContact NE-OG 3.09Å; R543-S557 PolarHBondContact NH2-OG 2.71Å; S557-T615 CarbonylContact C-O 3.43Å; S557-T615 WeakPolarHBondContact CB-O 3.44Å; S557-T615 VanDerWaalsContact O-O 3.05Å; S557-A617 WeakPolarHBondContact O-CA 3.17Å; S557-A618 PolarHBondContact N-O 3.26Å; S557-A618 PolarHBondContact O-N 3.21Å; S557-A618 VanDerWaalsContact O-N 3.16Å
558	L	95.4	Very high	93	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.4	-170.5	-66	167.6	0	0	0	112.2	V477 I478 H479 L494 V498 L556 T562 L564 G616 A617	V477-L558 PolarHBondContact O-N 3.31Å; I478-L558 WeakPolarHBondContact CA-O 3.46Å; I478-L558 HydrophobicContact CG1-CB 4.15Å; I478-L558 HydrophobicContact CG1-CD1 4.13Å; H479-L558 PolarHBondContact N-O 3.27Å; L494-L558 HydrophobicContact CD1-CD1 4.25Å; L494-L558 HydrophobicContact CD2-CB 4.21Å; L494-L558 HydrophobicContact CD2-CD1 4.22Å; L494-L558 HydrophobicContact CG-CD1 4.35Å; V498-L558 HydrophobicContact CG2-CD1 3.82Å; L556-L558 HydrophobicContact CD1-CD2 4.02Å; L556-L558 HydrophobicContact CD1-CG 4.19Å; L556-L558 HydrophobicContact CD2-CD1 3.85Å; L556-L558 HydrophobicContact CD2-CD2 4.5Å; L556-L558 HydrophobicContact CD2-CG 4.3Å; L556-L558 HydrophobicContact CG-CD1 3.93Å; L556-L558 HydrophobicContact CG-CD2 4.22Å; L556-L558 HydrophobicContact CG-CG 3.89Å; L558-T562 HydrophobicContact CD2-CG2 3.9Å; L558-L564 HydrophobicContact CD2-CD1 3.72Å; L558-G616 CarbonylContact C-O 3.08Å; L558-G616 VanDerWaalsContact CA-O 3.23Å; L558-G616 WeakPolarHBondContact CA-O 3.43Å; L558-A617 HydrophobicContact CD2-CB 4.45Å
559	D	92.1	Very high	93.2	Very high	31 Å²	31	26.6 Å²	26.6	17%	0.166	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	151.2	167.6	-63.8	-14.5	0	0	0	110.6	R543 D561 T562 G616	R543-D559 IonicContact CZ-OD1 3.98Å; R543-D559 IonicContact NH1-OD1 3.25Å; R543-D559 PolarHBondContact NH1-OD1 2.91Å; R543-D559 IonicContact NH2-OD1 3.06Å; D559-D561 WeakPolarHBondContact CB-OD1 3.26Å; D559-D561 PolarHBondContact O-N 3.17Å; D559-D561 VanDerWaalsContact O-N 3.14Å; D559-T562 VanDerWaalsContact O-CB 3.24Å; D559-T562 WeakPolarHBondContact O-CB 3.47Å; D559-T562 PolarHBondContact O-N 3.06Å; D559-T562 PolarHBondContact O-OG1 2.72Å; D559-G616 PolarHBondContact N-O 2.97Å; D559-G616 VanDerWaalsContact OD1-CA 3.26Å; D559-G616 WeakPolarHBondContact OD1-CA 3.39Å; D559-G616 VanDerWaalsContact OD2-CA 3.28Å; D559-G616 WeakPolarHBondContact OD2-CA 3.27Å
560	E	89.1	Confident	93.3	Very high	33 Å²	33	25.9 Å²	25.9	15%	0.154	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.9	-176.4	60.8	173.7	-155.2	0	0	115.4	H479 A480 V481 S482 I491	H479-E560 WeakPolarHBondContact O-CB 3.46Å; H479-E560 PolarHBondContact O-N 2.89Å; A480-E560 WeakPolarHBondContact CA-OE2 3.34Å; V481-E560 HydrophobicContact CG2-CG 4.37Å; V481-E560 WeakPolarHBondContact CG2-OE1 3.48Å; V481-E560 PolarHBondContact N-OE2 3.03Å; S482-E560 VanDerWaalsContact CB-OE1 3.23Å; S482-E560 WeakPolarHBondContact CB-OE1 3.33Å; S482-E560 PolarHBondContact N-OE1 3.33Å; S482-E560 PolarHBondContact N-OE2 2.53Å; S482-E560 PolarHBondContact OG-OE1 3.05Å; S482-E560 PolarHBondContact OG-OE2 2.74Å; S482-E560 VanDerWaalsContact OG-OE2 3.06Å; I491-E560 WeakPolarHBondContact CA-O 3.46Å; I491-E560 HydrophobicContact CB-CB 4.23Å; I491-E560 HydrophobicContact CD1-CB 4.01Å; I491-E560 HydrophobicContact CG1-CB 4.32Å; I491-E560 PolarHBondContact N-O 3.02Å
561	D	85.8	Confident	93.4	Very high	65 Å²	65	27.3 Å²	27.3	35%	0.348	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	0	179.4	67.3	-22.6	0	0	0	113.3	D559 V563	D559-D561 WeakPolarHBondContact CB-OD1 3.26Å; D559-D561 PolarHBondContact O-N 3.17Å; D559-D561 VanDerWaalsContact O-N 3.14Å; D561-V563 PolarHBondContact O-N 2.8Å
562	T	88.8	Confident	93.6	Very high	14 Å²	14	22.9 Å²	22.9	9%	0.086	13%	0.129	C	C	.	.			trans	-67.4	131.6	-179.8	-66.1	0	0	0	0	111.4	L494 L558 D559 L564 G616 A617	L494-T562 HydrophobicContact CD1-CG2 4.49Å; L558-T562 HydrophobicContact CD2-CG2 3.9Å; D559-T562 VanDerWaalsContact O-CB 3.24Å; D559-T562 WeakPolarHBondContact O-CB 3.47Å; D559-T562 PolarHBondContact O-N 3.06Å; D559-T562 PolarHBondContact O-OG1 2.72Å; T562-L564 HydrophobicContact CG2-CD1 3.69Å; T562-L564 HydrophobicContact CG2-CG 3.68Å; T562-G616 PolarHBondContact OG1-O 3Å; T562-A617 HydrophobicContact CG2-CB 4.03Å
563	V	87.9	Confident	93.6	Very high	67 Å²	67	22.9 Å²	22.9	41%	0.406	13%	0.129	S	C	.	.			trans	-113	101.2	178.2	-175.4	0	0	0	0	109.5	D561 Q668	D561-V563 PolarHBondContact O-N 2.8Å; V563-Q668 PolarHBondContact O-NE2 2.97Å
564	L	90.1	Very high	93.6	Very high	10 Å²	10	25 Å²	25	5%	0.052	14%	0.143	C	C	.	.			trans	-127.7	141.4	177.9	-68.9	172.2	0	0	0	111.3	L494 A497 L558 T562 E568 V569 Y586 Q668	L494-L564 HydrophobicContact CD1-CB 4.33Å; A497-L564 WeakPolarHBondContact CB-O 3.38Å; L558-L564 HydrophobicContact CD2-CD1 3.72Å; T562-L564 HydrophobicContact CG2-CD1 3.69Å; T562-L564 HydrophobicContact CG2-CG 3.68Å; L564-E568 HydrophobicContact CD2-CB 4.34Å; L564-V569 HydrophobicContact CB-CG2 4.18Å; L564-Y586 HydrophobicContact CD1-CD2 4.25Å; L564-Y586 HydrophobicContact CD1-CE2 3.69Å; L564-Y586 HydrophobicContact CD2-CD1 4.38Å; L564-Y586 HydrophobicContact CD2-CD2 4.04Å; L564-Y586 HydrophobicContact CD2-CE1 4.04Å; L564-Y586 HydrophobicContact CD2-CE2 3.71Å; L564-Y586 HydrophobicContact CD2-CG 4.37Å; L564-Y586 HydrophobicContact CG-CE2 4.38Å; L564-Q668 HydrophobicContact CD2-CG 4.33Å
565	S	92.6	Very high	93.5	Very high	40 Å²	40	25.6 Å²	25.6	28%	0.28	15%	0.146	S	C	.	.			trans	-83	156.1	170	65.1	0	0	0	0	111.6	T567 E568 V569	S565-T567 PolarHBondContact O-N 3.1Å; S565-T567 PolarHBondContact OG-OG1 3.26Å; S565-T567 VanDerWaalsContact OG-OG1 3.06Å; S565-E568 WeakPolarHBondContact CB-OE2 3.41Å; S565-E568 PolarHBondContact N-OE2 2.8Å; S565-E568 PolarHBondContact O-N 3.15Å; S565-E568 VanDerWaalsContact OG-CD 3.29Å; S565-E568 VanDerWaalsContact OG-CG 3.3Å; S565-E568 WeakPolarHBondContact OG-CG 3.26Å; S565-E568 PolarHBondContact OG-N 3.38Å; S565-E568 PolarHBondContact OG-OE2 3.03Å; S565-V569 PolarHBondContact O-N 3.16Å; S565-V569 VanDerWaalsContact O-N 3.07Å
566	T	93.7	Very high	93.5	Very high	34 Å²	34	25.6 Å²	25.6	21%	0.209	15%	0.146	C	C	.	.	H	α-helix	trans	-54.6	-38.5	175.2	-50.8	0	0	0	0	112.2	A497 K500 E568 V569 D570	A497-T566 WeakPolarHBondContact O-CB 3.32Å; A497-T566 PolarHBondContact O-OG1 3.28Å; K500-T566 HydrophobicContact CB-CG2 3.91Å; T566-E568 VanDerWaalsContact C-N 3.31Å; T566-E568 PolarHBondContact O-N 2.84Å; T566-V569 PolarHBondContact O-N 3.49Å; T566-D570 PolarHBondContact O-N 3.43Å
567	T	93.1	Very high	93.3	Very high	81 Å²	81	28.4 Å²	28.4	50%	0.497	16%	0.159	S	C	.	.	H	α-helix	trans	-65.5	-32.7	177.6	56.1	0	0	0	0	113.5	S565 F571	S565-T567 PolarHBondContact O-N 3.1Å; S565-T567 PolarHBondContact OG-OG1 3.26Å; S565-T567 VanDerWaalsContact OG-OG1 3.06Å; T567-F571 WeakPolarHBondContact O-CB 3.45Å; T567-F571 PolarHBondContact O-N 3.28Å; T567-F571 VanDerWaalsContact O-N 3.12Å
568	E	93.4	Very high	93.2	Very high	13 Å²	13	32.3 Å²	32.3	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-73.5	-43	176.7	-73.4	164.6	137.6	0	0	109.9	L564 S565 T566 D570 F571 A572 Y586 Q668 K669	L564-E568 HydrophobicContact CD2-CB 4.34Å; S565-E568 WeakPolarHBondContact CB-OE2 3.41Å; S565-E568 PolarHBondContact N-OE2 2.8Å; S565-E568 PolarHBondContact O-N 3.15Å; S565-E568 VanDerWaalsContact OG-CD 3.29Å; S565-E568 VanDerWaalsContact OG-CG 3.3Å; S565-E568 WeakPolarHBondContact OG-CG 3.26Å; S565-E568 PolarHBondContact OG-N 3.38Å; S565-E568 PolarHBondContact OG-OE2 3.03Å; T566-E568 VanDerWaalsContact C-N 3.31Å; T566-E568 PolarHBondContact O-N 2.84Å; E568-D570 PolarHBondContact O-N 3.09Å; E568-F571 PolarHBondContact O-N 2.69Å; E568-A572 PolarHBondContact O-N 2.84Å; E568-Y586 HydrophobicContact CB-CE1 4.32Å; E568-Y586 WeakPolarHBondContact CB-OH 2.93Å; E568-Y586 PolarHBondContact O-OH 2.82Å; E568-Q668 VanDerWaalsContact OE1-CG 3.28Å; E568-Q668 WeakPolarHBondContact OE1-CG 3.48Å; E568-K669 PolarHBondContact OE1-N 3.22Å
569	V	94.8	Very high	93.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-56.5	-48.9	174.3	174.5	0	0	0	0	111.5	F474 V498 L556 L564 S565 T566 F571 A572 F573 M619	F474-V569 HydrophobicContact CE1-CG1 4.02Å; F474-V569 HydrophobicContact CE2-CG1 4.27Å; F474-V569 HydrophobicContact CZ-CG1 3.43Å; F474-V569 VanDerWaalsContact CZ-CG1 3.43Å; V498-V569 HydrophobicContact CG2-CG2 4.27Å; L556-V569 HydrophobicContact CD2-CG1 3.89Å; L556-V569 HydrophobicContact CD2-CG2 4.48Å; L564-V569 HydrophobicContact CB-CG2 4.18Å; S565-V569 PolarHBondContact O-N 3.16Å; S565-V569 VanDerWaalsContact O-N 3.07Å; T566-V569 PolarHBondContact O-N 3.49Å; V569-F571 VanDerWaalsContact C-N 3.33Å; V569-F571 PolarHBondContact O-N 3.47Å; V569-A572 PolarHBondContact O-N 3.33Å; V569-F573 PolarHBondContact O-N 3.17Å; V569-F573 VanDerWaalsContact O-N 3.1Å; V569-M619 HydrophobicContact CG1-CE 4.37Å; V569-M619 WeakPolarHBondContact O-CE 3.24Å
570	D	95.6	Very high	93.3	Very high	28 Å²	28	34.5 Å²	34.5	15%	0.15	20%	0.196	C	C	.	.	H	α-helix	trans	-62.5	-39.8	178.2	-73.3	-6.6	0	0	0	112.3	S501 Y503 T566 E568 F573 T574	S501-D570 WeakPolarHBondContact CB-OD1 3.07Å; S501-D570 PolarHBondContact OG-OD1 3.34Å; Y503-D570 HydrophobicContact CD2-CB 4.18Å; Y503-D570 HydrophobicContact CE2-CB 4.12Å; T566-D570 PolarHBondContact O-N 3.43Å; E568-D570 PolarHBondContact O-N 3.09Å; D570-F573 PolarHBondContact O-N 3.31Å; D570-T574 PolarHBondContact O-N 3.31Å; D570-T574 PolarHBondContact O-OG1 2.79Å
571	F	95	Very high	93.6	Very high	43 Å²	43	34.6 Å²	34.6	19%	0.189	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-44	176.8	-178.8	-105.9	0	0	0	111.7	T567 E568 V569 F573 T574 V575 I666 L718 R719 P720	T567-F571 WeakPolarHBondContact O-CB 3.45Å; T567-F571 PolarHBondContact O-N 3.28Å; T567-F571 VanDerWaalsContact O-N 3.12Å; E568-F571 PolarHBondContact O-N 2.69Å; V569-F571 VanDerWaalsContact C-N 3.33Å; V569-F571 PolarHBondContact O-N 3.47Å; F571-F573 VanDerWaalsContact C-N 3.29Å; F571-F573 PolarHBondContact O-N 2.92Å; F571-T574 PolarHBondContact O-N 3.15Å; F571-V575 HydrophobicContact CD1-CG2 4.23Å; F571-V575 HydrophobicContact CD2-CG2 4.42Å; F571-V575 HydrophobicContact CE1-CG2 3.75Å; F571-V575 HydrophobicContact CE2-CG2 3.98Å; F571-V575 HydrophobicContact CZ-CG2 3.61Å; F571-V575 WeakPolarHBondContact O-CG2 3.42Å; F571-V575 PolarHBondContact O-N 3.02Å; F571-I666 HydrophobicContact CD1-CD1 4.24Å; F571-I666 HydrophobicContact CD1-CG2 3.71Å; F571-I666 HydrophobicContact CE1-CD1 4.27Å; F571-I666 HydrophobicContact CE1-CG1 4.29Å; F571-I666 HydrophobicContact CE1-CG2 3.68Å; F571-L718 HydrophobicContact CE1-CB 4.46Å; F571-L718 HydrophobicContact CZ-CB 4.23Å; F571-R719 WeakPolarHBondContact CZ-O 3.36Å; F571-P720 HydrophobicContact CB-CG 4.33Å; F571-P720 HydrophobicContact CD1-CG 3.77Å; F571-P720 HydrophobicContact CD2-CB 4.14Å; F571-P720 HydrophobicContact CD2-CG 4.23Å; F571-P720 HydrophobicContact CE1-CG 4.12Å; F571-P720 HydrophobicContact CE2-CB 4.41Å; F571-P720 HydrophobicContact CG-CB 4.21Å; F571-P720 HydrophobicContact CG-CG 3.83Å; F571-P720 HydrophobicContact CZ-CG 4.5Å
572	A	95.4	Very high	94.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-41	176.7	0	0	0	0	0	112.2	E568 V569 V575 W576 Y586 M619 I666	E568-A572 PolarHBondContact O-N 2.84Å; V569-A572 PolarHBondContact O-N 3.33Å; A572-V575 PolarHBondContact O-N 3.19Å; A572-W576 WeakPolarHBondContact O-CB 3.41Å; A572-W576 PolarHBondContact O-N 3.29Å; A572-Y586 HydrophobicContact CB-CE2 4.42Å; A572-Y586 WeakPolarHBondContact CB-OH 3.29Å; A572-M619 VanDerWaalsContact C-SD 3.53Å; A572-M619 HydrophobicContact CB-CE 3.94Å; A572-M619 HydrophobicContact CB-SD 4.02Å; A572-I666 HydrophobicContact CB-CD1 3.86Å
573	F	96.9	Very high	94.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.3	-46.2	176.2	-176.3	-113.8	0	0	0	112.1	P472 F474 Y503 A554 V569 D570 F571 V575 W576 Q577 M619	P472-F573 VanDerWaalsContact C-CZ 3.45Å; P472-F573 VanDerWaalsContact O-CE1 3.29Å; P472-F573 WeakPolarHBondContact O-CE1 3.35Å; P472-F573 WeakPolarHBondContact O-CZ 3.39Å; F474-F573 HydrophobicContact CB-CD2 3.9Å; F474-F573 HydrophobicContact CB-CE2 3.89Å; F474-F573 HydrophobicContact CD1-CB 4.1Å; F474-F573 HydrophobicContact CD1-CD1 4.45Å; F474-F573 AromaticContact CD1-CD2 3.62Å; F474-F573 HydrophobicContact CD1-CD2 3.62Å; F474-F573 HydrophobicContact CD1-CE2 4.15Å; F474-F573 AromaticContact CD1-CG 3.79Å; F474-F573 HydrophobicContact CD1-CG 3.79Å; F474-F573 HydrophobicContact CE1-CB 4.33Å; F474-F573 HydrophobicContact CE1-CG 4.41Å; F474-F573 HydrophobicContact CG-CD2 4.15Å; Y503-F573 VanDerWaalsContact CB-CD1 3.47Å; Y503-F573 AromaticContact CD1-CD1 3.82Å; Y503-F573 HydrophobicContact CD1-CD1 3.82Å; Y503-F573 AromaticContact CD1-CE1 3.71Å; Y503-F573 HydrophobicContact CD1-CE1 3.71Å; Y503-F573 AromaticContact CD2-CD1 3.69Å; Y503-F573 HydrophobicContact CD2-CD1 3.69Å; Y503-F573 HydrophobicContact CD2-CE1 4.42Å; Y503-F573 HydrophobicContact CD2-CG 4.5Å; Y503-F573 HydrophobicContact CE1-CD1 4.46Å; Y503-F573 HydrophobicContact CE1-CE1 4.44Å; Y503-F573 HydrophobicContact CE2-CD1 4.33Å; Y503-F573 AromaticContact CG-CD1 3.38Å; Y503-F573 HydrophobicContact CG-CD1 3.38Å; Y503-F573 AromaticContact CG-CE1 3.7Å; Y503-F573 HydrophobicContact CG-CE1 3.7Å; Y503-F573 HydrophobicContact CG-CG 4.36Å; A554-F573 HydrophobicContact CB-CD2 4.21Å; A554-F573 HydrophobicContact CB-CE2 3.75Å; V569-F573 PolarHBondContact O-N 3.17Å; V569-F573 VanDerWaalsContact O-N 3.1Å; D570-F573 PolarHBondContact O-N 3.31Å; F571-F573 VanDerWaalsContact C-N 3.29Å; F571-F573 PolarHBondContact O-N 2.92Å; F573-V575 VanDerWaalsContact C-N 3.3Å; F573-V575 PolarHBondContact O-N 2.99Å; F573-W576 HydrophobicContact CD2-CE3 4.34Å; F573-W576 HydrophobicContact CE2-CE3 4.1Å; F573-W576 HydrophobicContact CE2-CZ3 4.29Å; F573-W576 PolarHBondContact O-N 3.03Å; F573-W576 VanDerWaalsContact O-N 3.13Å; F573-Q577 HydrophobicContact CD1-CG 4.39Å; F573-Q577 VanDerWaalsContact CE1-CD 3.45Å; F573-Q577 HydrophobicContact CE1-CG 4.01Å; F573-Q577 HydrophobicContact CE2-CG 4.21Å; F573-Q577 HydrophobicContact CZ-CG 3.91Å; F573-Q577 WeakPolarHBondContact O-CG 3.45Å; F573-Q577 PolarHBondContact O-N 3.43Å; F573-M619 WeakPolarHBondContact CA-SD 3.49Å; F573-M619 HydrophobicContact CB-CE 3.86Å; F573-M619 HydrophobicContact CB-SD 3.89Å; F573-M619 HydrophobicContact CD2-SD 4.22Å; F573-M619 PolarHBondContact N-SD 2.72Å
574	T	95.5	Very high	95	Very high	64 Å²	64	30 Å²	30	39%	0.393	17%	0.166	S	C	.	.	H	α-helix	trans	-59.8	-41.6	178.9	-53.8	0	0	0	0	111.8	D570 F571	D570-T574 PolarHBondContact O-N 3.31Å; D570-T574 PolarHBondContact O-OG1 2.79Å; F571-T574 PolarHBondContact O-N 3.15Å
575	V	95.8	Very high	95.2	Very high	11 Å²	11	29.5 Å²	29.5	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-66	-45.2	175.1	172.9	0	0	0	0	110.8	F571 A572 F573 Q577 S578 F579 V584 I664 I666 L718	F571-V575 HydrophobicContact CD1-CG2 4.23Å; F571-V575 HydrophobicContact CD2-CG2 4.42Å; F571-V575 HydrophobicContact CE1-CG2 3.75Å; F571-V575 HydrophobicContact CE2-CG2 3.98Å; F571-V575 HydrophobicContact CZ-CG2 3.61Å; F571-V575 WeakPolarHBondContact O-CG2 3.42Å; F571-V575 PolarHBondContact O-N 3.02Å; A572-V575 PolarHBondContact O-N 3.19Å; F573-V575 VanDerWaalsContact C-N 3.3Å; F573-V575 PolarHBondContact O-N 2.99Å; V575-Q577 VanDerWaalsContact C-N 3.29Å; V575-Q577 PolarHBondContact O-N 2.93Å; V575-S578 WeakPolarHBondContact O-CB 3.2Å; V575-S578 PolarHBondContact O-N 3.22Å; V575-F579 HydrophobicContact CG1-CD2 4.3Å; V575-F579 WeakPolarHBondContact O-CD2 3.37Å; V575-F579 PolarHBondContact O-N 3.15Å; V575-V584 HydrophobicContact CB-CG1 4.09Å; V575-V584 HydrophobicContact CG1-CG1 3.61Å; V575-V584 HydrophobicContact CG1-CG2 4.47Å; V575-I664 HydrophobicContact CG1-CG2 4.08Å; V575-I666 HydrophobicContact CB-CD1 3.97Å; V575-I666 HydrophobicContact CG1-CD1 4.14Å; V575-I666 HydrophobicContact CG1-CG1 4.46Å; V575-I666 HydrophobicContact CG2-CD1 4.1Å; V575-L718 HydrophobicContact CG1-CD1 3.55Å; V575-L718 HydrophobicContact CG2-CD1 4.12Å
576	W	96.8	Very high	95.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-37.3	178.8	178.5	84.6	0	0	0	112.5	P470 D553 A554 A572 F573 S578 F579 P580 V584 M619 H621	P470-W576 HydrophobicContact CB-CH2 3.86Å; P470-W576 HydrophobicContact CB-CZ3 3.69Å; P470-W576 HydrophobicContact CG-CZ3 4.01Å; D553-W576 HydrophobicContact CB-CH2 4.13Å; A554-W576 HydrophobicContact CB-CD2 4.11Å; A554-W576 HydrophobicContact CB-CE3 3.69Å; A554-W576 HydrophobicContact CB-CH2 3.61Å; A554-W576 HydrophobicContact CB-CZ2 4.02Å; A554-W576 HydrophobicContact CB-CZ3 3.45Å; A554-W576 VanDerWaalsContact CB-CZ3 3.45Å; A572-W576 WeakPolarHBondContact O-CB 3.41Å; A572-W576 PolarHBondContact O-N 3.29Å; F573-W576 HydrophobicContact CD2-CE3 4.34Å; F573-W576 HydrophobicContact CE2-CE3 4.1Å; F573-W576 HydrophobicContact CE2-CZ3 4.29Å; F573-W576 PolarHBondContact O-N 3.03Å; F573-W576 VanDerWaalsContact O-N 3.13Å; W576-S578 PolarHBondContact O-N 3.13Å; W576-S578 VanDerWaalsContact O-N 3.11Å; W576-F579 CarbonylContact O-C 3.56Å; W576-F579 PolarHBondContact O-N 2.76Å; W576-P580 HydrophobicContact CH2-CB 4.18Å; W576-P580 HydrophobicContact CZ2-CB 4.05Å; W576-P580 PolarHBondContact NE1-O 3.44Å; W576-P580 WeakPolarHBondContact O-CA 3.21Å; W576-V584 HydrophobicContact CB-CB 4.2Å; W576-V584 HydrophobicContact CB-CG2 4.09Å; W576-V584 HydrophobicContact CG-CG2 4.44Å; W576-M619 HydrophobicContact CB-CB 4.16Å; W576-M619 HydrophobicContact CB-SD 4.34Å; W576-M619 HydrophobicContact CG-CB 4.05Å; W576-H621 HydrophobicContact CZ2-CB 4.12Å; W576-H621 AromaticContact CZ2-CD2 3.93Å
577	Q	95.3	Very high	95	Very high	61 Å²	61	27.4 Å²	27.4	29%	0.285	15%	0.147	S	C	.	.	H	α-helix	trans	-60.1	-23.9	175.2	-71.7	-177.1	-55.8	0	0	113.7	P470 F573 V575	P470-Q577 HydrophobicContact CG-CB 4.35Å; P470-Q577 HydrophobicContact CG-CG 4.24Å; F573-Q577 HydrophobicContact CD1-CG 4.39Å; F573-Q577 VanDerWaalsContact CE1-CD 3.45Å; F573-Q577 HydrophobicContact CE1-CG 4.01Å; F573-Q577 HydrophobicContact CE2-CG 4.21Å; F573-Q577 HydrophobicContact CZ-CG 3.91Å; F573-Q577 WeakPolarHBondContact O-CG 3.45Å; F573-Q577 PolarHBondContact O-N 3.43Å; V575-Q577 VanDerWaalsContact C-N 3.29Å; V575-Q577 PolarHBondContact O-N 2.93Å
578	S	93.8	Very high	94.9	Very high	83 Å²	83	24.1 Å²	24.1	58%	0.58	13%	0.129	S	C	*	.	H	α-helix	trans	-84.8	-19	175.4	-55	0	0	0	0	113.1	V575 W576	V575-S578 WeakPolarHBondContact O-CB 3.2Å; V575-S578 PolarHBondContact O-N 3.22Å; W576-S578 PolarHBondContact O-N 3.13Å; W576-S578 VanDerWaalsContact O-N 3.11Å
579	F	95.1	Very high	94.9	Very high	64 Å²	64	25 Å²	25	28%	0.281	13%	0.131	S	C	.	.			trans	-138.4	58.3	-178	-53.8	-74.7	0	0	0	110.9	V575 W576 E581 R582 I664 L718	V575-F579 HydrophobicContact CG1-CD2 4.3Å; V575-F579 WeakPolarHBondContact O-CD2 3.37Å; V575-F579 PolarHBondContact O-N 3.15Å; W576-F579 CarbonylContact O-C 3.56Å; W576-F579 PolarHBondContact O-N 2.76Å; F579-E581 VanDerWaalsContact C-OE2 3.3Å; F579-E581 PolarHBondContact O-N 3.34Å; F579-E581 VanDerWaalsContact O-N 3.15Å; F579-R582 HydrophobicContact CB-CB 4.28Å; F579-R582 HydrophobicContact CB-CG 4.3Å; F579-R582 PolarHBondContact O-N 3.29Å; F579-I664 HydrophobicContact CB-CG1 4.42Å; F579-I664 HydrophobicContact CD2-CG1 4.23Å; F579-I664 HydrophobicContact CG-CG1 4.26Å; F579-L718 HydrophobicContact CE2-CD1 4.29Å
580	P	95.3	Very high	94.8	Very high	12 Å²	12	25.2 Å²	25.2	8%	0.078	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.4	-170.4	25.3	-34.4	0	0	0	113.1	Y463 W576 R582	Y463-P580 HydrophobicContact CD2-CB 3.89Å; Y463-P580 HydrophobicContact CD2-CG 3.67Å; Y463-P580 HydrophobicContact CE2-CB 3.93Å; Y463-P580 HydrophobicContact CE2-CG 4.24Å; W576-P580 HydrophobicContact CH2-CB 4.18Å; W576-P580 HydrophobicContact CZ2-CB 4.05Å; W576-P580 PolarHBondContact NE1-O 3.44Å; W576-P580 WeakPolarHBondContact O-CA 3.21Å; P580-R582 VanDerWaalsContact C-N 3.31Å
581	E	95.2	Very high	94.7	Very high	35 Å²	35	24.3 Å²	24.3	16%	0.164	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.7	176.4	80	-69.6	173.8	0	0	113.7	P460 F579 Y624 T659 L661	P460-E581 HydrophobicContact CB-CB 4.34Å; F579-E581 VanDerWaalsContact C-OE2 3.3Å; F579-E581 PolarHBondContact O-N 3.34Å; F579-E581 VanDerWaalsContact O-N 3.15Å; E581-Y624 PolarHBondContact O-OH 3.01Å; E581-T659 HydrophobicContact CB-CG2 4.32Å; E581-T659 HydrophobicContact CG-CG2 4.36Å; E581-T659 VanDerWaalsContact O-CG2 3.29Å; E581-T659 WeakPolarHBondContact O-CG2 3.06Å; E581-L661 HydrophobicContact CG-CD1 4.15Å
582	R	95.8	Very high	94.6	Very high	48 Å²	48	26.6 Å²	26.6	18%	0.181	14%	0.138	C	C	.	.	S	Bend	trans	-111.1	157.6	-172.8	-53	-174.2	-163.7	-166.8	3.7	112.4	F579 P580 P662 I664	F579-R582 HydrophobicContact CB-CB 4.28Å; F579-R582 HydrophobicContact CB-CG 4.3Å; F579-R582 PolarHBondContact O-N 3.29Å; P580-R582 VanDerWaalsContact C-N 3.31Å; R582-P662 WeakPolarHBondContact CD-O 3.28Å; R582-I664 HydrophobicContact CB-CG1 4.44Å
583	I	97.8	Very high	94.5	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	16%	0.159	C	C	.	.			trans	-76.3	126.5	166.2	-56.8	172.5	0	0	0	108	V613 A618 F620 M651 N652 V655 P663 I664	I583-V613 HydrophobicContact CG2-CB 4.05Å; I583-V613 HydrophobicContact CG2-CG1 4.12Å; I583-A618 HydrophobicContact CG2-CB 3.78Å; I583-F620 HydrophobicContact CG1-CB 4.15Å; I583-M651 HydrophobicContact CD1-CG 4.38Å; I583-N652 HydrophobicContact CD1-CB 4.49Å; I583-V655 HydrophobicContact CD1-CB 3.94Å; I583-V655 HydrophobicContact CD1-CG1 4.37Å; I583-V655 HydrophobicContact CD1-CG2 3.8Å; I583-V655 HydrophobicContact CG1-CB 4.13Å; I583-V655 HydrophobicContact CG1-CG1 4.04Å; I583-V655 HydrophobicContact CG1-CG2 3.94Å; I583-P663 HydrophobicContact CB-CB 4.16Å; I583-P663 WeakPolarHBondContact O-CA 3.46Å; I583-P663 WeakPolarHBondContact O-CB 3.24Å; I583-I664 PolarHBondContact O-N 2.73Å
584	V	97.5	Very high	94.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122	179	179.6	0	0	0	0	109.1	V575 W576 A618 M619 I664 I666	V575-V584 HydrophobicContact CB-CG1 4.09Å; V575-V584 HydrophobicContact CG1-CG1 3.61Å; V575-V584 HydrophobicContact CG1-CG2 4.47Å; W576-V584 HydrophobicContact CB-CB 4.2Å; W576-V584 HydrophobicContact CB-CG2 4.09Å; W576-V584 HydrophobicContact CG-CG2 4.44Å; V584-A618 CarbonylContact O-C 3.54Å; V584-A618 WeakPolarHBondContact O-CA 3.5Å; V584-M619 PolarHBondContact N-O 3.03Å; V584-M619 PolarHBondContact O-N 3.2Å; V584-I664 WeakPolarHBondContact CA-O 3.31Å; V584-I664 HydrophobicContact CG2-CB 4.08Å; V584-I664 HydrophobicContact CG2-CG1 4.41Å; V584-I666 HydrophobicContact CG1-CD1 3.35Å; V584-I666 HydrophobicContact CG1-CG1 3.94Å
585	G	95.2	Very high	94	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-171.8	-177	0	0	0	0	0	115	V613 A617 I664 I666	G585-V613 VanDerWaalsContact CA-CG1 3.46Å; G585-A617 WeakPolarHBondContact CA-O 3.49Å; G585-I664 PolarHBondContact N-O 3.41Å; G585-I664 VanDerWaalsContact N-O 3.08Å; G585-I666 PolarHBondContact O-N 2.76Å
586	Y	91.5	Very high	93.8	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.051	21%	0.213	C	C	.	.	S	Bend	trans	-98.2	-53.5	-168.2	-50.3	-93.3	0	0	0	114.1	L564 E568 A572 A588 A617 I666 Q668	L564-Y586 HydrophobicContact CD1-CD2 4.25Å; L564-Y586 HydrophobicContact CD1-CE2 3.69Å; L564-Y586 HydrophobicContact CD2-CD1 4.38Å; L564-Y586 HydrophobicContact CD2-CD2 4.04Å; L564-Y586 HydrophobicContact CD2-CE1 4.04Å; L564-Y586 HydrophobicContact CD2-CE2 3.71Å; L564-Y586 HydrophobicContact CD2-CG 4.37Å; L564-Y586 HydrophobicContact CG-CE2 4.38Å; E568-Y586 HydrophobicContact CB-CE1 4.32Å; E568-Y586 WeakPolarHBondContact CB-OH 2.93Å; E568-Y586 PolarHBondContact O-OH 2.82Å; A572-Y586 HydrophobicContact CB-CE2 4.42Å; A572-Y586 WeakPolarHBondContact CB-OH 3.29Å; Y586-A588 PolarHBondContact O-N 3.11Å; Y586-A617 HydrophobicContact CD2-CB 3.95Å; Y586-A617 WeakPolarHBondContact CD2-O 2.99Å; Y586-A617 PolarHBondContact N-O 3.44Å; Y586-A617 VanDerWaalsContact N-O 3.13Å; Y586-I666 HydrophobicContact CD1-CB 4.19Å; Y586-I666 HydrophobicContact CD1-CG2 3.89Å; Y586-I666 HydrophobicContact CE1-CB 4.26Å; Y586-I666 HydrophobicContact CE1-CG2 3.6Å; Y586-Q668 HydrophobicContact CD1-CB 4.01Å; Y586-Q668 HydrophobicContact CD1-CG 4.46Å
587	P	90.9	Very high	93.5	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.104	24%	0.236	C	C	.	.			trans	-80.2	99.2	-171.4	-9.3	28.7	0	0	0	109.5	V613 L614 A617	P587-V613 WeakPolarHBondContact O-CA 3.33Å; P587-L614 HydrophobicContact CB-CB 4.11Å; P587-L614 HydrophobicContact CB-CD1 4.27Å; P587-L614 HydrophobicContact CB-CG 4.18Å; P587-L614 HydrophobicContact CG-CB 4.45Å; P587-L614 PolarHBondContact O-N 3.46Å; P587-A617 HydrophobicContact CG-CB 4.07Å
588	A	91.3	Very high	93.3	Very high	12 Å²	12	51.5 Å²	51.5	10%	0.099	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.4	178	0	0	0	0	0	112	Y586 Y610 M612 K665	Y586-A588 PolarHBondContact O-N 3.11Å; A588-Y610 HydrophobicContact CB-CD2 4.29Å; A588-Y610 HydrophobicContact CB-CG 4.03Å; A588-M612 WeakPolarHBondContact CA-O 3.37Å; A588-K665 HydrophobicContact CB-CB 4.43Å; A588-K665 HydrophobicContact CB-CD 3.63Å; A588-K665 HydrophobicContact CB-CG 3.95Å
589	R	92.7	Very high	93.2	Very high	31 Å²	31	52.8 Å²	52.8	12%	0.117	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	164.6	176.5	-63.7	-68.2	-176.8	-89.6	-2.2	109.9	Y602 Y610 S611 M612 L614	R589-Y602 HydrophobicContact CB-CE2 3.89Å; R589-Y602 VanDerWaalsContact CD-OH 3.28Å; R589-Y602 WeakPolarHBondContact CD-OH 3.19Å; R589-Y602 HydrophobicContact CG-CE2 4.12Å; R589-Y602 VanDerWaalsContact CG-OH 3.27Å; R589-Y602 WeakPolarHBondContact CG-OH 3.32Å; R589-Y602 PolarHBondContact NE-OH 2.99Å; R589-Y610 WeakPolarHBondContact O-CB 3.46Å; R589-S611 PolarHBondContact O-N 3.03Å; R589-M612 HydrophobicContact CB-CB 4.35Å; R589-M612 HydrophobicContact CB-CE 4.31Å; R589-M612 PolarHBondContact N-O 3.49Å; R589-M612 PolarHBondContact O-N 3.5Å; R589-L614 HydrophobicContact CB-CD2 4.26Å; R589-L614 HydrophobicContact CG-CD1 4.02Å; R589-L614 HydrophobicContact CG-CD2 3.68Å; R589-L614 HydrophobicContact CG-CG 3.87Å
590	S	93.3	Very high	93.1	Very high	5 Å²	5	52.9 Å²	52.9	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	162.1	-179.1	-155	0	0	0	0	112.2	T603 H713	S590-T603 PolarHBondContact N-O 2.65Å; S590-T603 PolarHBondContact O-N 3.01Å; S590-H713 PolarHBondContact OG-CE1 3.15Å; S590-H713 VanDerWaalsContact OG-CE1 3.29Å
591	H	93.3	Very high	92.8	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.046	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	160	167.8	73.3	-66.2	0	0	0	109.8	W600 G601 S611 M612 M699 M709 L711 H713	H591-W600 AromaticContact CD2-CE3 3.63Å; H591-W600 AromaticContact CD2-CZ3 3.73Å; H591-G601 CarbonylContact C-O 3.58Å; H591-G601 WeakPolarHBondContact CA-O 3.34Å; H591-S611 PolarHBondContact N-OG 2.94Å; H591-S611 WeakPolarHBondContact ND1-CB 3.31Å; H591-S611 PolarHBondContact ND1-OG 2.61Å; H591-M612 HydrophobicContact CB-CE 4.39Å; H591-M699 HydrophobicContact CB-CE 3.74Å; H591-M699 HydrophobicContact CB-SD 3.62Å; H591-M709 VanDerWaalsContact NE2-CG 3.33Å; H591-M709 WeakPolarHBondContact NE2-CG 3.5Å; H591-L711 HydrophobicContact CB-CD1 4.18Å; H591-H713 AromaticContact CE1-CD2 3.47Å; H591-H713 PolarHBondContact CE1-CD2 2.82Å; H591-H713 VanDerWaalsContact CE1-CD2 3.47Å; H591-H713 AromaticContact CE1-CE1 3.97Å; H591-H713 AromaticContact CE1-NE2 3.08Å; H591-H713 PolarHBondContact CE1-NE2 3.03Å; H591-H713 AromaticContact ND1-CE1 3.98Å; H591-H713 AromaticContact ND1-NE2 3.48Å; H591-H713 PolarHBondContact ND1-NE2 2.97Å; H591-H713 AromaticContact NE2-NE2 3.64Å; H591-H713 PolarHBondContact O-CE1 2.76Å
592	F	92.6	Very high	92.6	Very high	90 Å²	90	51.5 Å²	51.5	40%	0.395	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.9	173.4	65.6	-84.4	0	0	0	110.1	D594 W600 G601 T603	F592-D594 HydrophobicContact CE2-CB 4.07Å; F592-W600 CarbonylContact O-C 3.43Å; F592-W600 WeakPolarHBondContact O-CA 3.45Å; F592-G601 WeakPolarHBondContact CD1-O 3.46Å; F592-G601 PolarHBondContact N-O 3.1Å; F592-G601 PolarHBondContact O-N 3.13Å; F592-T603 HydrophobicContact CD1-CG2 4.13Å
593	W	92.7	Very high	92.2	Very high	118 Å²	118	50.3 Å²	50.3	45%	0.447	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	123.6	170.7	-176.9	-108.9	0	0	0	109.7	E598 W600	W593-E598 HydrophobicContact CH2-CB 4.44Å; W593-E598 WeakPolarHBondContact CH2-O 3.19Å; W593-E598 HydrophobicContact CZ2-CB 4.1Å; W593-W600 HydrophobicContact CB-CE3 4.04Å; W593-W600 HydrophobicContact CB-CH2 4.19Å; W593-W600 HydrophobicContact CB-CZ3 3.68Å; W593-W600 AromaticContact CE3-CD2 3.47Å; W593-W600 HydrophobicContact CE3-CD2 3.47Å; W593-W600 VanDerWaalsContact CE3-CD2 3.47Å; W593-W600 AromaticContact CE3-CE2 3.43Å; W593-W600 VanDerWaalsContact CE3-CE2 3.43Å; W593-W600 AromaticContact CE3-CE3 3.8Å; W593-W600 HydrophobicContact CE3-CE3 3.8Å; W593-W600 AromaticContact CE3-CG 3.93Å; W593-W600 HydrophobicContact CE3-CG 3.93Å; W593-W600 HydrophobicContact CE3-CH2 4.06Å; W593-W600 AromaticContact CE3-CZ2 3.74Å; W593-W600 HydrophobicContact CE3-CZ2 3.74Å; W593-W600 HydrophobicContact CE3-CZ3 4.09Å; W593-W600 AromaticContact CE3-NE1 3.83Å; W593-W600 HydrophobicContact CG-CZ3 4.48Å; W593-W600 AromaticContact CZ3-CD1 3.8Å; W593-W600 AromaticContact CZ3-CD2 3.97Å; W593-W600 HydrophobicContact CZ3-CD2 3.97Å; W593-W600 AromaticContact CZ3-CE2 3.66Å; W593-W600 HydrophobicContact CZ3-CG 4.06Å; W593-W600 HydrophobicContact CZ3-CZ2 4.16Å; W593-W600 AromaticContact CZ3-NE1 3.55Å
594	D	90.5	Very high	91.5	Very high	26 Å²	26	52.1 Å²	52.1	14%	0.139	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	97.2	171.5	-173	-16.2	0	0	0	109	F592 N596 K597 E598 R599	F592-D594 HydrophobicContact CE2-CB 4.07Å; D594-N596 PolarHBondContact O-N 3.35Å; D594-N596 WeakPolarHBondContact OD1-CB 2.85Å; D594-N596 PolarHBondContact OD1-N 3.33Å; D594-N596 VanDerWaalsContact OD1-N 3.12Å; D594-K597 HydrophobicContact CB-CB 4.43Å; D594-K597 PolarHBondContact O-N 2.99Å; D594-K597 VanDerWaalsContact O-N 3.15Å; D594-K597 WeakPolarHBondContact OD2-CD 3.11Å; D594-K597 VanDerWaalsContact OD2-CE 3.28Å; D594-K597 WeakPolarHBondContact OD2-CE 3.46Å; D594-K597 WeakPolarHBondContact OD2-CG 3.08Å; D594-K597 IonicContact OD2-NZ 3.22Å; D594-E598 PolarHBondContact O-N 2.74Å; D594-R599 WeakPolarHBondContact CB-O 3.06Å; D594-R599 PolarHBondContact N-O 3.31Å; D594-R599 PolarHBondContact O-N 3.32Å
595	S	91.8	Very high	90.6	Very high	87 Å²	87	59.6 Å²	59.6	61%	0.608	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.8	-178.9	-56.1	0	0	0	0	113.5	K597	S595-K597 VanDerWaalsContact C-N 3.3Å
596	N	92.4	Very high	89.4	Confident	158 Å²	158	68 Å²	68	85%	0.845	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-26	-179.3	-66.6	-29.6	0	0	0	112.2	D594	D594-N596 PolarHBondContact O-N 3.35Å; D594-N596 WeakPolarHBondContact OD1-CB 2.85Å; D594-N596 PolarHBondContact OD1-N 3.33Å; D594-N596 VanDerWaalsContact OD1-N 3.12Å
597	K	89.3	Confident	88.6	Confident	114 Å²	114	70.4 Å²	70.4	50%	0.496	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	1	-175.4	-53.4	-178.1	-167.8	176	0	112.9	D594 S595 R599	D594-K597 HydrophobicContact CB-CB 4.43Å; D594-K597 PolarHBondContact O-N 2.99Å; D594-K597 VanDerWaalsContact O-N 3.15Å; D594-K597 WeakPolarHBondContact OD2-CD 3.11Å; D594-K597 VanDerWaalsContact OD2-CE 3.28Å; D594-K597 WeakPolarHBondContact OD2-CE 3.46Å; D594-K597 WeakPolarHBondContact OD2-CG 3.08Å; D594-K597 IonicContact OD2-NZ 3.22Å; S595-K597 VanDerWaalsContact C-N 3.3Å; K597-R599 HydrophobicContact CB-CG 3.71Å; K597-R599 PolarHBondContact O-N 2.73Å; K597-R599 VanDerWaalsContact O-N 3.16Å
598	E	91	Very high	88	Confident	157 Å²	157	75.9 Å²	75.9	73%	0.734	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	42.9	-176.5	-60.5	-175.8	158.4	0	0	113.1	W593 D594	W593-E598 HydrophobicContact CH2-CB 4.44Å; W593-E598 WeakPolarHBondContact CH2-O 3.19Å; W593-E598 HydrophobicContact CZ2-CB 4.1Å; D594-E598 PolarHBondContact O-N 2.74Å
599	R	92	Very high	87.9	Confident	111 Å²	111	77.8 Å²	77.8	42%	0.419	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	155.3	-178.4	60.9	176.1	146.8	-176.8	-15.3	112.3	D594 K597 N700	D594-R599 WeakPolarHBondContact CB-O 3.06Å; D594-R599 PolarHBondContact N-O 3.31Å; D594-R599 PolarHBondContact O-N 3.32Å; K597-R599 HydrophobicContact CB-CG 3.71Å; K597-R599 PolarHBondContact O-N 2.73Å; K597-R599 VanDerWaalsContact O-N 3.16Å; R599-N700 WeakPolarHBondContact CB-OD1 3.4Å
600	W	92.3	Very high	87.9	Confident	66 Å²	66	76.4 Å²	76.4	25%	0.25	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141.2	172.2	-62.6	103.9	0	0	0	110.7	H591 F592 W593 Q696 M699 N700 M709	H591-W600 AromaticContact CD2-CE3 3.63Å; H591-W600 AromaticContact CD2-CZ3 3.73Å; F592-W600 CarbonylContact O-C 3.43Å; F592-W600 WeakPolarHBondContact O-CA 3.45Å; W593-W600 HydrophobicContact CB-CE3 4.04Å; W593-W600 HydrophobicContact CB-CH2 4.19Å; W593-W600 HydrophobicContact CB-CZ3 3.68Å; W593-W600 AromaticContact CE3-CD2 3.47Å; W593-W600 HydrophobicContact CE3-CD2 3.47Å; W593-W600 VanDerWaalsContact CE3-CD2 3.47Å; W593-W600 AromaticContact CE3-CE2 3.43Å; W593-W600 VanDerWaalsContact CE3-CE2 3.43Å; W593-W600 AromaticContact CE3-CE3 3.8Å; W593-W600 HydrophobicContact CE3-CE3 3.8Å; W593-W600 AromaticContact CE3-CG 3.93Å; W593-W600 HydrophobicContact CE3-CG 3.93Å; W593-W600 HydrophobicContact CE3-CH2 4.06Å; W593-W600 AromaticContact CE3-CZ2 3.74Å; W593-W600 HydrophobicContact CE3-CZ2 3.74Å; W593-W600 HydrophobicContact CE3-CZ3 4.09Å; W593-W600 AromaticContact CE3-NE1 3.83Å; W593-W600 HydrophobicContact CG-CZ3 4.48Å; W593-W600 AromaticContact CZ3-CD1 3.8Å; W593-W600 AromaticContact CZ3-CD2 3.97Å; W593-W600 HydrophobicContact CZ3-CD2 3.97Å; W593-W600 AromaticContact CZ3-CE2 3.66Å; W593-W600 HydrophobicContact CZ3-CG 4.06Å; W593-W600 HydrophobicContact CZ3-CZ2 4.16Å; W593-W600 AromaticContact CZ3-NE1 3.55Å; W600-Q696 WeakPolarHBondContact O-CG 3.27Å; W600-Q696 PolarHBondContact O-NE2 3.16Å; W600-Q696 VanDerWaalsContact O-NE2 3.15Å; W600-M699 HydrophobicContact CB-CG 4.04Å; W600-M699 HydrophobicContact CB-SD 3.96Å; W600-N700 PolarHBondContact N-OD1 3.36Å; W600-N700 PolarHBondContact O-ND2 3.12Å; W600-M709 HydrophobicContact CB-CE 3.8Å; W600-M709 HydrophobicContact CD2-CB 4.5Å; W600-M709 HydrophobicContact CD2-CE 3.32Å; W600-M709 HydrophobicContact CD2-CG 4.45Å; W600-M709 HydrophobicContact CE3-CE 3.87Å; W600-M709 HydrophobicContact CG-CE 3.25Å; W600-M709 HydrophobicContact CH2-CB 4.1Å; W600-M709 HydrophobicContact CH2-CG 4.27Å; W600-M709 HydrophobicContact CZ2-CB 3.63Å; W600-M709 HydrophobicContact CZ2-CG 4.2Å; W600-M709 HydrophobicContact CZ3-CG 4.42Å
601	G	90.2	Very high	88	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.8	177.1	0	0	0	0	0	112.7	H591 F592	H591-G601 CarbonylContact C-O 3.58Å; H591-G601 WeakPolarHBondContact CA-O 3.34Å; F592-G601 WeakPolarHBondContact CD1-O 3.46Å; F592-G601 PolarHBondContact N-O 3.1Å; F592-G601 PolarHBondContact O-N 3.13Å
602	Y	91	Very high	88.1	Confident	17 Å²	17	75.7 Å²	75.7	7%	0.067	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.5	173.8	174.2	-95.5	0	0	0	109.5	R589 M612 I649 F692 R695 M699	R589-Y602 HydrophobicContact CB-CE2 3.89Å; R589-Y602 VanDerWaalsContact CD-OH 3.28Å; R589-Y602 WeakPolarHBondContact CD-OH 3.19Å; R589-Y602 HydrophobicContact CG-CE2 4.12Å; R589-Y602 VanDerWaalsContact CG-OH 3.27Å; R589-Y602 WeakPolarHBondContact CG-OH 3.32Å; R589-Y602 PolarHBondContact NE-OH 2.99Å; Y602-M612 HydrophobicContact CD2-CE 3.89Å; Y602-M612 HydrophobicContact CE2-CE 4.05Å; Y602-I649 HydrophobicContact CD2-CD1 4.12Å; Y602-I649 HydrophobicContact CE2-CD1 4.26Å; Y602-F692 AromaticContact CD1-CD1 3.9Å; Y602-F692 HydrophobicContact CD1-CD1 3.9Å; Y602-F692 HydrophobicContact CD1-CE1 4.07Å; Y602-F692 HydrophobicContact CE1-CD1 4Å; Y602-F692 AromaticContact CE1-CE1 3.77Å; Y602-F692 HydrophobicContact CE1-CE1 3.77Å; Y602-R695 HydrophobicContact CD1-CB 4.27Å; Y602-R695 HydrophobicContact CG-CB 4.25Å; Y602-R695 PolarHBondContact OH-NH1 2.71Å; Y602-M699 HydrophobicContact CD2-CE 3.88Å; Y602-M699 HydrophobicContact CG-CE 4.4Å
603	T	86.9	Confident	88.3	Confident	23 Å²	23	71.4 Å²	71.4	14%	0.141	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.3	175.6	-168.1	0	0	0	0	112.9	S590 F592 K605	S590-T603 PolarHBondContact N-O 2.65Å; S590-T603 PolarHBondContact O-N 3.01Å; F592-T603 HydrophobicContact CD1-CG2 4.13Å; T603-K605 WeakPolarHBondContact OG1-CB 3.5Å; T603-K605 WeakPolarHBondContact OG1-CG 3.44Å; T603-K605 PolarHBondContact OG1-N 3.3Å
604	S	82.8	Confident	88.4	Confident	40 Å²	40	66.2 Å²	66.2	28%	0.28	32%	0.321	S	S	.	.			trans	-98	6.5	170.3	57.8	0	0	0	0	112.8	W606 F692	S604-W606 PolarHBondContact O-N 3.32Å; S604-F692 WeakPolarHBondContact OG-CE1 3.29Å; S604-F692 WeakPolarHBondContact OG-CZ 3.49Å
605	K	79.3	Confident	88.6	Confident	158 Å²	158	65 Å²	65	69%	0.687	32%	0.315	S	S	*	.			trans	-57.9	133.7	177.1	-73.7	-178.9	179.8	-178.6	0	109.3	T603 T607	T603-K605 WeakPolarHBondContact OG1-CB 3.5Å; T603-K605 WeakPolarHBondContact OG1-CG 3.44Å; T603-K605 PolarHBondContact OG1-N 3.3Å; K605-T607 HydrophobicContact CB-CG2 4.29Å; K605-T607 PolarHBondContact O-N 3.04Å
606	W	69.1	Low	88.6	Confident	176 Å²	176	61.1 Å²	61.1	67%	0.667	29%	0.289	S	S	*	.			trans	-77.8	71.6	179.2	-66.5	88.8	0	0	0	110.3	S604 Y672	S604-W606 PolarHBondContact O-N 3.32Å; W606-Y672 HydrophobicContact CH2-CE1 4.43Å
607	T	75.2	Confident	88.7	Confident	63 Å²	63	53.8 Å²	53.8	39%	0.387	25%	0.251	S	S	.	.			trans	-92	159	174	47.7	0	0	0	0	110.8	K605 D609	K605-T607 HydrophobicContact CB-CG2 4.29Å; K605-T607 PolarHBondContact O-N 3.04Å; T607-D609 PolarHBondContact OG1-O 3.49Å
608	N	78.7	Confident	89.1	Confident	132 Å²	132	48.4 Å²	48.4	71%	0.706	23%	0.227	S	C	*	.	S	Bend	trans	-70.4	-24.6	168.6	-73.7	-22.9	0	0	0	111.4	Q715	N608-Q715 WeakPolarHBondContact O-CA 3.45Å
609	D	89.2	Confident	89.4	Confident	51 Å²	51	41 Å²	41	27%	0.273	19%	0.193	S	C	.	.			trans	-84.8	128.8	173.9	-177.2	38.3	0	0	0	111.4	T607 H713 Q715	T607-D609 PolarHBondContact OG1-O 3.49Å; D609-H713 VanDerWaalsContact CG-ND1 3.27Å; D609-H713 WeakPolarHBondContact OD1-CB 3.49Å; D609-H713 IonicContact OD1-CG 2.7Å; D609-H713 IonicContact OD1-ND1 2.65Å; D609-H713 PolarHBondContact OD1-ND1 2.87Å; D609-H713 IonicContact OD2-CE1 3.46Å; D609-H713 PolarHBondContact OD2-CE1 3.12Å; D609-H713 IonicContact OD2-CG 3.03Å; D609-H713 IonicContact OD2-ND1 3.75Å; D609-H713 PolarHBondContact OD2-ND1 2.91Å; D609-Q715 HydrophobicContact CB-CG 4.32Å
610	Y	93.1	Very high	89.6	Confident	3 Å²	3	35.7 Å²	35.7	1%	0.012	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-146.2	157	-179.8	67.6	-84	0	0	0	110.6	A588 R589 V613 P663 K665 H713 S714 V716	A588-Y610 HydrophobicContact CB-CD2 4.29Å; A588-Y610 HydrophobicContact CB-CG 4.03Å; R589-Y610 WeakPolarHBondContact O-CB 3.46Å; Y610-V613 HydrophobicContact CD2-CG2 4.47Å; Y610-V613 HydrophobicContact CE2-CG2 4.36Å; Y610-P663 HydrophobicContact CD2-CG 4.27Å; Y610-P663 HydrophobicContact CE2-CG 4.08Å; Y610-P663 VanDerWaalsContact CE2-O 3.29Å; Y610-P663 WeakPolarHBondContact CE2-O 3.08Å; Y610-P663 PolarHBondContact OH-O 2.92Å; Y610-P663 VanDerWaalsContact OH-O 3.1Å; Y610-K665 HydrophobicContact CD1-CB 4.24Å; Y610-K665 HydrophobicContact CD1-CD 4Å; Y610-K665 HydrophobicContact CD2-CB 4.4Å; Y610-K665 HydrophobicContact CE1-CB 3.64Å; Y610-K665 HydrophobicContact CE1-CD 4.02Å; Y610-K665 HydrophobicContact CE2-CB 3.83Å; Y610-K665 VanDerWaalsContact CZ-CB 3.42Å; Y610-K665 PolarHBondContact OH-N 3.02Å; Y610-H713 CarbonylContact O-C 3.6Å; Y610-H713 WeakPolarHBondContact O-CA 3.35Å; Y610-S714 WeakPolarHBondContact CD1-O 3.49Å; Y610-S714 VanDerWaalsContact CE1-O 3.29Å; Y610-S714 WeakPolarHBondContact CE1-O 3.19Å; Y610-S714 PolarHBondContact N-O 3.23Å; Y610-S714 PolarHBondContact O-N 3.1Å; Y610-S714 PolarHBondContact OH-OG 3.13Å; Y610-V716 WeakPolarHBondContact CE1-O 3.27Å; Y610-V716 VanDerWaalsContact CZ-O 3.28Å; Y610-V716 PolarHBondContact OH-O 3.03Å
611	S	94.9	Very high	89.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-132	-4.6	179.1	71.3	0	0	0	0	113.1	R589 H591 V712	R589-S611 PolarHBondContact O-N 3.03Å; H591-S611 PolarHBondContact N-OG 2.94Å; H591-S611 WeakPolarHBondContact ND1-CB 3.31Å; H591-S611 PolarHBondContact ND1-OG 2.61Å; S611-V712 WeakPolarHBondContact CA-O 3.26Å
612	M	96.2	Very high	90.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	148.2	-177.4	-67.6	173.8	-75.3	0	0	110.3	A588 R589 H591 Y602 I649 N652 M699 L711	A588-M612 WeakPolarHBondContact CA-O 3.37Å; R589-M612 HydrophobicContact CB-CB 4.35Å; R589-M612 HydrophobicContact CB-CE 4.31Å; R589-M612 PolarHBondContact N-O 3.49Å; R589-M612 PolarHBondContact O-N 3.5Å; H591-M612 HydrophobicContact CB-CE 4.39Å; Y602-M612 HydrophobicContact CD2-CE 3.89Å; Y602-M612 HydrophobicContact CE2-CE 4.05Å; M612-I649 HydrophobicContact SD-CG1 4.23Å; M612-I649 HydrophobicContact SD-CG2 4.2Å; M612-N652 VanDerWaalsContact CA-OD1 3.28Å; M612-N652 WeakPolarHBondContact CA-OD1 3.38Å; M612-N652 HydrophobicContact CB-CB 4.3Å; M612-N652 HydrophobicContact CG-CB 3.84Å; M612-M699 HydrophobicContact CE-CE 3.65Å; M612-M699 HydrophobicContact SD-CE 4.22Å; M612-L711 HydrophobicContact CE-CD1 4.06Å; M612-L711 HydrophobicContact CG-CD1 3.7Å; M612-L711 HydrophobicContact CG-CD2 3.86Å; M612-L711 HydrophobicContact CG-CG 4.42Å; M612-L711 HydrophobicContact SD-CD1 3.63Å
613	V	95.4	Very high	90.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.2	167.6	171	0	0	0	0	107.9	I583 G585 P587 Y610 A618 N652 P663	I583-V613 HydrophobicContact CG2-CB 4.05Å; I583-V613 HydrophobicContact CG2-CG1 4.12Å; G585-V613 VanDerWaalsContact CA-CG1 3.46Å; P587-V613 WeakPolarHBondContact O-CA 3.33Å; Y610-V613 HydrophobicContact CD2-CG2 4.47Å; Y610-V613 HydrophobicContact CE2-CG2 4.36Å; V613-A618 HydrophobicContact CG1-CB 3.99Å; V613-N652 PolarHBondContact N-OD1 3.34Å; V613-N652 PolarHBondContact O-ND2 3.19Å; V613-N652 PolarHBondContact O-OD1 2.88Å; V613-P663 HydrophobicContact CB-CB 4.16Å; V613-P663 HydrophobicContact CG2-CB 3.78Å; V613-P663 HydrophobicContact CG2-CG 4.04Å
614	L	94.3	Very high	90.9	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.042	16%	0.161	C	C	.	.			trans	-69.2	135.4	-174.9	-53.8	-170.1	0	0	0	110.9	P587 R589 G616 A617 D648 W686	P587-L614 HydrophobicContact CB-CB 4.11Å; P587-L614 HydrophobicContact CB-CD1 4.27Å; P587-L614 HydrophobicContact CB-CG 4.18Å; P587-L614 HydrophobicContact CG-CB 4.45Å; P587-L614 PolarHBondContact O-N 3.46Å; R589-L614 HydrophobicContact CB-CD2 4.26Å; R589-L614 HydrophobicContact CG-CD1 4.02Å; R589-L614 HydrophobicContact CG-CD2 3.68Å; R589-L614 HydrophobicContact CG-CG 3.87Å; L614-G616 PolarHBondContact O-N 3.35Å; L614-A617 PolarHBondContact O-N 2.7Å; L614-D648 HydrophobicContact CD2-CB 4.42Å; L614-D648 VanDerWaalsContact CD2-OD2 3.27Å; L614-D648 WeakPolarHBondContact CD2-OD2 3.3Å; L614-W686 HydrophobicContact CD1-CH2 4.09Å; L614-W686 HydrophobicContact CD1-CZ3 4.11Å
615	T	94.8	Very high	91.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.6	-174.9	63.6	0	0	0	0	113.7	R543 F544 S557 A617 F620 D648 M651	R543-T615 PolarHBondContact NH2-O 2.99Å; R543-T615 VanDerWaalsContact NH2-O 3.11Å; F544-T615 HydrophobicContact CE1-CG2 4.24Å; F544-T615 HydrophobicContact CZ-CG2 3.98Å; S557-T615 CarbonylContact C-O 3.43Å; S557-T615 WeakPolarHBondContact CB-O 3.44Å; S557-T615 VanDerWaalsContact O-O 3.05Å; T615-A617 PolarHBondContact O-N 2.96Å; T615-F620 HydrophobicContact CG2-CE1 4.28Å; T615-D648 HydrophobicContact CG2-CB 4.27Å; T615-M651 HydrophobicContact CG2-CB 3.96Å; T615-M651 HydrophobicContact CG2-CG 3.92Å
616	G	92.1	Very high	92.4	Very high	6 Å²	6	25.3 Å²	25.3	6%	0.062	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.7	173.9	0	0	0	0	0	114.9	L558 D559 T562 L614	L558-G616 CarbonylContact C-O 3.08Å; L558-G616 VanDerWaalsContact CA-O 3.23Å; L558-G616 WeakPolarHBondContact CA-O 3.43Å; D559-G616 PolarHBondContact N-O 2.97Å; D559-G616 VanDerWaalsContact OD1-CA 3.26Å; D559-G616 WeakPolarHBondContact OD1-CA 3.39Å; D559-G616 VanDerWaalsContact OD2-CA 3.28Å; D559-G616 WeakPolarHBondContact OD2-CA 3.27Å; T562-G616 PolarHBondContact OG1-O 3Å; L614-G616 PolarHBondContact O-N 3.35Å
617	A	94.8	Very high	93.6	Very high	5 Å²	5	16.9 Å²	16.9	4%	0.041	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	71.2	167.2	0	0	0	0	0	110	S557 L558 T562 G585 Y586 P587 L614 T615	S557-A617 WeakPolarHBondContact O-CA 3.17Å; L558-A617 HydrophobicContact CD2-CB 4.45Å; T562-A617 HydrophobicContact CG2-CB 4.03Å; G585-A617 WeakPolarHBondContact CA-O 3.49Å; Y586-A617 HydrophobicContact CD2-CB 3.95Å; Y586-A617 WeakPolarHBondContact CD2-O 2.99Å; Y586-A617 PolarHBondContact N-O 3.44Å; Y586-A617 VanDerWaalsContact N-O 3.13Å; P587-A617 HydrophobicContact CG-CB 4.07Å; L614-A617 PolarHBondContact O-N 2.7Å; T615-A617 PolarHBondContact O-N 2.96Å
618	A	97	Very high	94.6	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.9	-178	0	0	0	0	0	113.3	S557 I583 V584 V613	S557-A618 PolarHBondContact N-O 3.26Å; S557-A618 PolarHBondContact O-N 3.21Å; S557-A618 VanDerWaalsContact O-N 3.16Å; I583-A618 HydrophobicContact CG2-CB 3.78Å; V584-A618 CarbonylContact O-C 3.54Å; V584-A618 WeakPolarHBondContact O-CA 3.5Å; V613-A618 HydrophobicContact CG1-CB 3.99Å
619	M	97.5	Very high	95.3	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.005	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.5	169.6	-65.8	-173.4	178.2	0	0	110.7	F474 V555 L556 V569 A572 F573 W576 V584	F474-M619 HydrophobicContact CD1-CE 4.31Å; F474-M619 HydrophobicContact CE1-CE 4.29Å; F474-M619 HydrophobicContact CG-CE 4.45Å; F474-M619 HydrophobicContact CZ-CE 4.42Å; V555-M619 VanDerWaalsContact O-CA 3.28Å; V555-M619 WeakPolarHBondContact O-CA 3.11Å; L556-M619 HydrophobicContact CB-CE 3.91Å; L556-M619 HydrophobicContact CB-CG 3.92Å; L556-M619 HydrophobicContact CD1-CE 3.8Å; L556-M619 HydrophobicContact CD1-CG 3.54Å; L556-M619 HydrophobicContact CD2-CE 3.75Å; L556-M619 HydrophobicContact CG-CE 4Å; L556-M619 HydrophobicContact CG-CG 4.27Å; V569-M619 HydrophobicContact CG1-CE 4.37Å; V569-M619 WeakPolarHBondContact O-CE 3.24Å; A572-M619 VanDerWaalsContact C-SD 3.53Å; A572-M619 HydrophobicContact CB-CE 3.94Å; A572-M619 HydrophobicContact CB-SD 4.02Å; F573-M619 WeakPolarHBondContact CA-SD 3.49Å; F573-M619 HydrophobicContact CB-CE 3.86Å; F573-M619 HydrophobicContact CB-SD 3.89Å; F573-M619 HydrophobicContact CD2-SD 4.22Å; F573-M619 PolarHBondContact N-SD 2.72Å; W576-M619 HydrophobicContact CB-CB 4.16Å; W576-M619 HydrophobicContact CB-SD 4.34Å; W576-M619 HydrophobicContact CG-CB 4.05Å; V584-M619 PolarHBondContact N-O 3.03Å; V584-M619 PolarHBondContact O-N 3.2Å
620	F	97.7	Very high	95.4	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	167.6	174.6	51.3	-95.7	0	0	0	110.2	F544 V555 I583 T615 Y624 H625	F544-F620 HydrophobicContact CD1-CZ 4.24Å; F544-F620 AromaticContact CE1-CZ 3.97Å; F544-F620 HydrophobicContact CE1-CZ 3.97Å; V555-F620 HydrophobicContact CB-CE2 4.38Å; V555-F620 PolarHBondContact N-O 3.37Å; V555-F620 PolarHBondContact O-N 3.23Å; V555-F620 VanDerWaalsContact O-N 3.1Å; I583-F620 HydrophobicContact CG1-CB 4.15Å; T615-F620 HydrophobicContact CG2-CE1 4.28Å; F620-Y624 HydrophobicContact CB-CD2 4.35Å; F620-H625 AromaticContact CE2-CD2 3.61Å; F620-H625 AromaticContact CE2-NE2 3.4Å; F620-H625 WeakPolarHBondContact CE2-NE2 3.32Å; F620-H625 AromaticContact CZ-NE2 3.81Å
621	H	97.6	Very high	95.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	140	-177.8	-166.4	-90.7	0	0	0	112.5	D458 P460 Y463 D553 W576 Y623 Y624	D458-H621 PolarHBondContact O-CE1 2.92Å; P460-H621 HydrophobicContact CB-CB 4Å; P460-H621 HydrophobicContact CG-CB 3.94Å; Y463-H621 AromaticContact CZ-NE2 3.99Å; Y463-H621 PolarHBondContact OH-NE2 2.94Å; D553-H621 CarbonylContact O-C 3.52Å; D553-H621 VanDerWaalsContact O-CA 3.32Å; D553-H621 WeakPolarHBondContact O-CA 3.26Å; D553-H621 PolarHBondContact O-CD2 3.06Å; D553-H621 IonicContact OD1-NE2 2.82Å; W576-H621 HydrophobicContact CZ2-CB 4.12Å; W576-H621 AromaticContact CZ2-CD2 3.93Å; H621-Y623 WeakPolarHBondContact ND1-CB 3.41Å; H621-Y623 PolarHBondContact ND1-N 2.84Å; H621-Y623 PolarHBondContact O-N 3.12Å; H621-Y623 VanDerWaalsContact O-N 3.09Å; H621-Y624 HydrophobicContact CB-CD2 4.05Å; H621-Y624 HydrophobicContact CB-CE2 3.99Å; H621-Y624 WeakPolarHBondContact O-CD2 3.45Å; H621-Y624 PolarHBondContact O-N 2.02Å
622	R	96.3	Very high	95.3	Very high	56 Å²	56	13.3 Å²	13.3	21%	0.211	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.8	179.6	63.5	170.8	167.4	169.5	-0.6	114	Y452 I550 V551 T552 D553 V555 Y624 H625	Y452-R622 WeakPolarHBondContact OH-CD 3.3Å; Y452-R622 WeakPolarHBondContact OH-CG 3.17Å; Y452-R622 PolarHBondContact OH-NE 3.18Å; Y452-R622 VanDerWaalsContact OH-NE 3.09Å; I550-R622 HydrophobicContact CG2-CB 4.32Å; V551-R622 PolarHBondContact O-NH1 3.03Å; V551-R622 VanDerWaalsContact O-NH1 3.17Å; T552-R622 WeakPolarHBondContact O-CD 3.47Å; D553-R622 PolarHBondContact O-N 2.98Å; D553-R622 IonicContact OD1-CZ 3.85Å; D553-R622 IonicContact OD1-NE 2.71Å; D553-R622 PolarHBondContact OD1-NE 3.26Å; D553-R622 IonicContact OD1-NH2 3.38Å; D553-R622 PolarHBondContact OD1-NH2 2.88Å; V555-R622 HydrophobicContact CG2-CB 3.85Å; R622-Y624 PolarHBondContact O-N 2.95Å; R622-Y624 VanDerWaalsContact O-N 3.1Å; R622-H625 VanDerWaalsContact O-CB 3.32Å; R622-H625 WeakPolarHBondContact O-CB 3.5Å; R622-H625 PolarHBondContact O-N 2.95Å
623	Y	96.8	Very high	95.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-54.6	-30.2	176.5	-178.6	-122.3	0	0	0	112.7	F447 L449 Y452 F459 F461 H621 H625 F626 L627	F447-Y623 PolarHBondContact O-OH 2.73Å; L449-Y623 PolarHBondContact N-OH 3.14Å; Y452-Y623 AromaticContact CD1-CD2 3.34Å; Y452-Y623 HydrophobicContact CD1-CD2 3.34Å; Y452-Y623 AromaticContact CD1-CE2 3.7Å; Y452-Y623 HydrophobicContact CD1-CE2 3.7Å; Y452-Y623 HydrophobicContact CD1-CG 4.38Å; Y452-Y623 AromaticContact CD2-CD2 3.91Å; Y452-Y623 HydrophobicContact CD2-CD2 3.91Å; Y452-Y623 HydrophobicContact CD2-CE2 4.36Å; Y452-Y623 AromaticContact CE1-CD2 3.61Å; Y452-Y623 HydrophobicContact CE1-CD2 3.61Å; Y452-Y623 HydrophobicContact CE1-CE2 4.41Å; Y452-Y623 HydrophobicContact CE1-CG 4.3Å; Y452-Y623 HydrophobicContact CE2-CD2 4.16Å; Y452-Y623 AromaticContact CG-CD2 3.49Å; Y452-Y623 HydrophobicContact CG-CD2 3.49Å; Y452-Y623 VanDerWaalsContact CG-CD2 3.49Å; Y452-Y623 AromaticContact CG-CE2 3.66Å; Y452-Y623 HydrophobicContact CG-CE2 3.66Å; F459-Y623 HydrophobicContact CD1-CD1 4.26Å; F459-Y623 HydrophobicContact CD1-CD2 4.09Å; F459-Y623 AromaticContact CD1-CE1 3.94Å; F459-Y623 HydrophobicContact CD1-CE1 3.94Å; F459-Y623 AromaticContact CD1-CE2 3.78Å; F459-Y623 HydrophobicContact CD1-CE2 3.78Å; F459-Y623 HydrophobicContact CD1-CG 4.32Å; F459-Y623 AromaticContact CD1-CZ 3.7Å; F459-Y623 HydrophobicContact CE1-CD2 4.12Å; F459-Y623 HydrophobicContact CE1-CE1 4.3Å; F459-Y623 AromaticContact CE1-CE2 3.47Å; F459-Y623 HydrophobicContact CE1-CE2 3.47Å; F459-Y623 VanDerWaalsContact CE1-CE2 3.47Å; F459-Y623 AromaticContact CE1-CZ 3.58Å; F461-Y623 AromaticContact CE1-CD1 3.96Å; F461-Y623 HydrophobicContact CE1-CD1 3.96Å; F461-Y623 AromaticContact CE1-CE1 3.71Å; F461-Y623 HydrophobicContact CE1-CE1 3.71Å; F461-Y623 HydrophobicContact CZ-CE1 4.02Å; H621-Y623 WeakPolarHBondContact ND1-CB 3.41Å; H621-Y623 PolarHBondContact ND1-N 2.84Å; H621-Y623 PolarHBondContact O-N 3.12Å; H621-Y623 VanDerWaalsContact O-N 3.09Å; Y623-H625 VanDerWaalsContact C-N 3.28Å; Y623-H625 PolarHBondContact O-N 3.49Å; Y623-F626 HydrophobicContact CD2-CB 4.38Å; Y623-F626 HydrophobicContact CE2-CD1 4.18Å; Y623-F626 WeakPolarHBondContact O-CB 3.43Å; Y623-F626 PolarHBondContact O-N 3.19Å; Y623-F626 VanDerWaalsContact O-N 3.12Å; Y623-L627 HydrophobicContact CD1-CD1 3.85Å; Y623-L627 HydrophobicContact CD1-CG 4.22Å; Y623-L627 HydrophobicContact CE1-CD1 3.36Å; Y623-L627 HydrophobicContact CE1-CD2 4.24Å; Y623-L627 HydrophobicContact CE1-CG 3.67Å; Y623-L627 HydrophobicContact CE2-CG 4.27Å; Y623-L627 PolarHBondContact O-N 2.83Å
624	Y	97.3	Very high	94.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70	-22.4	177.8	-62.3	-57.5	0	0	0	113.6	E581 F620 H621 R622 L627 Y628 V655 V658 T659	E581-Y624 PolarHBondContact O-OH 3.01Å; F620-Y624 HydrophobicContact CB-CD2 4.35Å; H621-Y624 HydrophobicContact CB-CD2 4.05Å; H621-Y624 HydrophobicContact CB-CE2 3.99Å; H621-Y624 WeakPolarHBondContact O-CD2 3.45Å; H621-Y624 PolarHBondContact O-N 2.02Å; R622-Y624 PolarHBondContact O-N 2.95Å; R622-Y624 VanDerWaalsContact O-N 3.1Å; Y624-L627 HydrophobicContact CD1-CD1 4.04Å; Y624-L627 HydrophobicContact CE1-CD1 4.3Å; Y624-Y628 WeakPolarHBondContact O-CB 3.49Å; Y624-Y628 PolarHBondContact O-N 3.23Å; Y624-V655 HydrophobicContact CD1-CG2 3.66Å; Y624-V655 HydrophobicContact CD2-CG2 3.82Å; Y624-V655 HydrophobicContact CE1-CB 4.35Å; Y624-V655 HydrophobicContact CE1-CG1 4.21Å; Y624-V655 HydrophobicContact CE1-CG2 3.86Å; Y624-V655 HydrophobicContact CE2-CG1 4.09Å; Y624-V655 HydrophobicContact CE2-CG2 4.01Å; Y624-V655 HydrophobicContact CG-CG2 3.66Å; Y624-V658 HydrophobicContact CE1-CB 4.48Å; Y624-V658 HydrophobicContact CE1-CG1 4.35Å; Y624-T659 VanDerWaalsContact OH-CG2 3.28Å; Y624-T659 WeakPolarHBondContact OH-CG2 3.4Å
625	H	96	Very high	94.6	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.014	12%	0.119	C	C	.	.	H	α-helix	trans	-63.8	-47	167.4	-73.5	-155.9	0	0	0	110.3	R543 F544 L545 P546 F620 R622 Y623 L627 Y628 T629	R543-H625 PolarHBondContact O-CE1 3.29Å; R543-H625 VanDerWaalsContact O-CE1 3.24Å; F544-H625 VanDerWaalsContact O-CA 3.28Å; F544-H625 WeakPolarHBondContact O-CA 3.42Å; F544-H625 WeakPolarHBondContact O-CB 3.3Å; L545-H625 PolarHBondContact O-ND1 3.28Å; P546-H625 HydrophobicContact CB-CB 4.5Å; F620-H625 AromaticContact CE2-CD2 3.61Å; F620-H625 AromaticContact CE2-NE2 3.4Å; F620-H625 WeakPolarHBondContact CE2-NE2 3.32Å; F620-H625 AromaticContact CZ-NE2 3.81Å; R622-H625 VanDerWaalsContact O-CB 3.32Å; R622-H625 WeakPolarHBondContact O-CB 3.5Å; R622-H625 PolarHBondContact O-N 2.95Å; Y623-H625 VanDerWaalsContact C-N 3.28Å; Y623-H625 PolarHBondContact O-N 3.49Å; H625-L627 PolarHBondContact O-N 3.14Å; H625-Y628 PolarHBondContact O-N 3.08Å; H625-T629 PolarHBondContact O-N 2.98Å; H625-T629 PolarHBondContact O-OG1 3.35Å
626	F	95.9	Very high	94.5	Very high	26 Å²	26	21.6 Å²	21.6	11%	0.114	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-47	179.3	-171.4	-92.3	0	0	0	111.6	L449 Q451 Y452 Y623 T629 H630	L449-F626 HydrophobicContact CB-CE1 3.98Å; L449-F626 HydrophobicContact CD1-CD1 4.16Å; L449-F626 HydrophobicContact CD1-CE1 3.78Å; Q451-F626 HydrophobicContact CB-CE1 4.43Å; Q451-F626 HydrophobicContact CB-CZ 3.88Å; Y452-F626 HydrophobicContact CD2-CB 3.76Å; Y452-F626 HydrophobicContact CD2-CD1 4.16Å; Y452-F626 AromaticContact CD2-CD2 3.82Å; Y452-F626 HydrophobicContact CD2-CD2 3.82Å; Y452-F626 HydrophobicContact CD2-CE2 4.47Å; Y452-F626 AromaticContact CD2-CG 3.63Å; Y452-F626 HydrophobicContact CD2-CG 3.63Å; Y452-F626 HydrophobicContact CE2-CB 4.21Å; Y452-F626 HydrophobicContact CG-CD1 4.33Å; Y452-F626 HydrophobicContact CG-CG 4.26Å; Y623-F626 HydrophobicContact CD2-CB 4.38Å; Y623-F626 HydrophobicContact CE2-CD1 4.18Å; Y623-F626 WeakPolarHBondContact O-CB 3.43Å; Y623-F626 PolarHBondContact O-N 3.19Å; Y623-F626 VanDerWaalsContact O-N 3.12Å; F626-T629 PolarHBondContact O-N 2.7Å; F626-H630 AromaticContact CD2-CD2 3.42Å; F626-H630 VanDerWaalsContact CD2-CD2 3.42Å; F626-H630 WeakPolarHBondContact CD2-CD2 3.37Å; F626-H630 AromaticContact CD2-NE2 3.86Å; F626-H630 HydrophobicContact CE1-CB 4.21Å; F626-H630 AromaticContact CE2-CD2 3.34Å; F626-H630 WeakPolarHBondContact CE2-CD2 2.97Å; F626-H630 AromaticContact CE2-NE2 3.63Å; F626-H630 AromaticContact CG-CD2 3.84Å; F626-H630 HydrophobicContact CZ-CB 4.38Å; F626-H630 AromaticContact CZ-CD2 3.67Å; F626-H630 WeakPolarHBondContact O-CB 3.49Å; F626-H630 PolarHBondContact O-CD2 3.01Å; F626-H630 VanDerWaalsContact O-CD2 3.31Å; F626-H630 PolarHBondContact O-N 3Å
627	L	95.8	Very high	94.5	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-43.6	175	-77.6	178.5	0	0	0	112.2	L449 Y623 Y624 H625 T629 Y631 L632 L654 V658	L449-L627 HydrophobicContact CD1-CD2 3.78Å; L449-L627 HydrophobicContact CG-CD2 3.99Å; Y623-L627 HydrophobicContact CD1-CD1 3.85Å; Y623-L627 HydrophobicContact CD1-CG 4.22Å; Y623-L627 HydrophobicContact CE1-CD1 3.36Å; Y623-L627 HydrophobicContact CE1-CD2 4.24Å; Y623-L627 HydrophobicContact CE1-CG 3.67Å; Y623-L627 HydrophobicContact CE2-CG 4.27Å; Y623-L627 PolarHBondContact O-N 2.83Å; Y624-L627 HydrophobicContact CD1-CD1 4.04Å; Y624-L627 HydrophobicContact CE1-CD1 4.3Å; H625-L627 PolarHBondContact O-N 3.14Å; L627-T629 VanDerWaalsContact C-N 3.26Å; L627-T629 PolarHBondContact O-N 3.37Å; L627-Y631 HydrophobicContact CD2-CG 4.28Å; L627-Y631 WeakPolarHBondContact O-CA 3.42Å; L627-Y631 WeakPolarHBondContact O-CB 3.3Å; L627-Y631 PolarHBondContact O-N 3.4Å; L627-L632 PolarHBondContact O-N 3.09Å; L627-L654 HydrophobicContact CB-CD1 4.33Å; L627-L654 HydrophobicContact CB-CD2 3.9Å; L627-L654 HydrophobicContact CB-CG 4.5Å; L627-V658 HydrophobicContact CD1-CG2 3.82Å
628	Y	95.6	Very high	94.4	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.016	14%	0.144	C	C	.	.	H	α-helix	trans	-58.3	-41.5	178.5	-170.7	-81.3	0	0	0	111.2	F544 Y624 H625 L632 K637 L650 M651 L654	F544-Y628 HydrophobicContact CB-CD1 3.84Å; F544-Y628 HydrophobicContact CB-CE1 4.28Å; F544-Y628 HydrophobicContact CB-CG 3.99Å; F544-Y628 HydrophobicContact CD2-CD1 4.31Å; F544-Y628 HydrophobicContact CD2-CD2 4.1Å; F544-Y628 HydrophobicContact CD2-CE1 4.07Å; F544-Y628 AromaticContact CD2-CE2 3.82Å; F544-Y628 HydrophobicContact CD2-CE2 3.82Å; F544-Y628 HydrophobicContact CD2-CG 4.34Å; F544-Y628 AromaticContact CD2-CZ 3.81Å; F544-Y628 HydrophobicContact CE2-CE2 4.26Å; F544-Y628 HydrophobicContact CG-CG 4.46Å; Y624-Y628 WeakPolarHBondContact O-CB 3.49Å; Y624-Y628 PolarHBondContact O-N 3.23Å; H625-Y628 PolarHBondContact O-N 3.08Å; Y628-L632 HydrophobicContact CD2-CD1 3.61Å; Y628-L632 HydrophobicContact CE2-CD1 3.95Å; Y628-L632 HydrophobicContact CG-CD1 4Å; Y628-L632 WeakPolarHBondContact O-CB 3.06Å; Y628-K637 HydrophobicContact CE1-CD 4.36Å; Y628-K637 HydrophobicContact CE1-CG 4.15Å; Y628-L650 HydrophobicContact CE2-CB 4.26Å; Y628-L650 HydrophobicContact CE2-CD2 3.84Å; Y628-L650 HydrophobicContact CE2-CG 3.9Å; Y628-M651 HydrophobicContact CD2-CE 3.72Å; Y628-M651 HydrophobicContact CD2-SD 4.43Å; Y628-M651 HydrophobicContact CG-CE 4.09Å; Y628-L654 HydrophobicContact CD2-CD2 4.44Å
629	T	93.4	Very high	94.2	Very high	29 Å²	29	29 Å²	29	18%	0.178	16%	0.155	C	C	.	.	H	α-helix	trans	-76.7	-46.1	-179.6	-60.8	0	0	0	0	113.3	P546 H625 F626 L627 K637	P546-T629 WeakPolarHBondContact CD-OG1 3.47Å; H625-T629 PolarHBondContact O-N 2.98Å; H625-T629 PolarHBondContact O-OG1 3.35Å; F626-T629 PolarHBondContact O-N 2.7Å; L627-T629 VanDerWaalsContact C-N 3.26Å; L627-T629 PolarHBondContact O-N 3.37Å; T629-K637 PolarHBondContact O-NZ 2.87Å
630	H	92	Very high	93.9	Very high	90 Å²	90	29 Å²	29	42%	0.417	16%	0.155	S	C	.	.	H	α-helix	trans	-101.9	-21.5	-167.2	-63.7	-76.2	0	0	0	115.1	F626	F626-H630 AromaticContact CD2-CD2 3.42Å; F626-H630 VanDerWaalsContact CD2-CD2 3.42Å; F626-H630 WeakPolarHBondContact CD2-CD2 3.37Å; F626-H630 AromaticContact CD2-NE2 3.86Å; F626-H630 HydrophobicContact CE1-CB 4.21Å; F626-H630 AromaticContact CE2-CD2 3.34Å; F626-H630 WeakPolarHBondContact CE2-CD2 2.97Å; F626-H630 AromaticContact CE2-NE2 3.63Å; F626-H630 AromaticContact CG-CD2 3.84Å; F626-H630 HydrophobicContact CZ-CB 4.38Å; F626-H630 AromaticContact CZ-CD2 3.67Å; F626-H630 WeakPolarHBondContact O-CB 3.49Å; F626-H630 PolarHBondContact O-CD2 3.01Å; F626-H630 VanDerWaalsContact O-CD2 3.31Å; F626-H630 PolarHBondContact O-N 3Å
631	Y	92.7	Very high	93.6	Very high	46 Å²	46	31 Å²	31	18%	0.18	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-43.9	179	-176.5	-92.3	0	0	0	112.1	L446 F447 L627 L654 W705	L446-Y631 WeakPolarHBondContact O-CE2 3.44Å; F447-Y631 HydrophobicContact CD1-CE1 4.21Å; F447-Y631 HydrophobicContact CD1-CE2 4.07Å; F447-Y631 AromaticContact CD1-CZ 3.85Å; F447-Y631 AromaticContact CE1-CE1 3.69Å; F447-Y631 HydrophobicContact CE1-CE1 3.69Å; F447-Y631 HydrophobicContact CE1-CE2 4.14Å; F447-Y631 AromaticContact CE1-CZ 3.45Å; F447-Y631 VanDerWaalsContact CE1-CZ 3.45Å; F447-Y631 VanDerWaalsContact CE1-OH 3.31Å; F447-Y631 WeakPolarHBondContact CE1-OH 3.2Å; L627-Y631 HydrophobicContact CD2-CG 4.28Å; L627-Y631 WeakPolarHBondContact O-CA 3.42Å; L627-Y631 WeakPolarHBondContact O-CB 3.3Å; L627-Y631 PolarHBondContact O-N 3.4Å; Y631-L654 HydrophobicContact CD1-CD1 4.22Å; Y631-W705 HydrophobicContact CE1-CH2 4.03Å
632	L	92.8	Very high	93.3	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	20%	0.202	C	C	.	.	S	Bend	trans	-71.3	139.2	-178.1	-64.1	176.6	0	0	0	111.9	L627 Y628 K637 L650 L654 W705 F706	L627-L632 PolarHBondContact O-N 3.09Å; Y628-L632 HydrophobicContact CD2-CD1 3.61Å; Y628-L632 HydrophobicContact CE2-CD1 3.95Å; Y628-L632 HydrophobicContact CG-CD1 4Å; Y628-L632 WeakPolarHBondContact O-CB 3.06Å; L632-K637 WeakPolarHBondContact O-CE 3.42Å; L632-K637 PolarHBondContact O-NZ 3.46Å; L632-L650 HydrophobicContact CD1-CD1 4.11Å; L632-L650 HydrophobicContact CD1-CD2 3.96Å; L632-L650 HydrophobicContact CD1-CG 3.84Å; L632-L654 HydrophobicContact CD1-CD2 4.19Å; L632-L654 HydrophobicContact CD2-CD1 4.16Å; L632-L654 HydrophobicContact CG-CD1 4.4Å; L632-L654 HydrophobicContact CG-CD2 4.47Å; L632-W705 HydrophobicContact CD2-CH2 4.17Å; L632-W705 HydrophobicContact CD2-CZ3 3.9Å; L632-F706 HydrophobicContact CD2-CZ 4.15Å
633	P	90.7	Very high	93	Very high	27 Å²	27	38.9 Å²	38.9	18%	0.175	21%	0.206	C	C	.	.			trans	-68	149.1	-179.8	31.3	-38.9	0	0	0	111	S635 L636 K637 W705	P633-S635 PolarHBondContact O-N 2.79Å; P633-L636 HydrophobicContact CG-CB 4.18Å; P633-L636 HydrophobicContact CG-CD1 3.9Å; P633-L636 HydrophobicContact CG-CG 3.81Å; P633-L636 PolarHBondContact O-N 3.24Å; P633-K637 PolarHBondContact O-N 3.4Å; P633-W705 HydrophobicContact CG-CD2 4.3Å; P633-W705 HydrophobicContact CG-CH2 4.47Å; P633-W705 HydrophobicContact CG-CZ2 3.72Å
634	S	89.3	Confident	92.6	Very high	72 Å²	72	41.1 Å²	41.1	50%	0.503	23%	0.225	S	C	.	.	H	α-helix	trans	-59.9	-28.3	178.2	-54.6	0	0	0	0	112.9	L636 K637 N638	S634-L636 PolarHBondContact O-N 2.88Å; S634-K637 PolarHBondContact O-N 3.17Å; S634-N638 VanDerWaalsContact O-CB 3.24Å; S634-N638 WeakPolarHBondContact O-CB 3.36Å; S634-N638 PolarHBondContact O-N 2.76Å; S634-N638 PolarHBondContact O-ND2 2.92Å; S634-N638 PolarHBondContact O-OD1 2.84Å
635	S	91.1	Very high	92.2	Very high	78 Å²	78	41.4 Å²	41.4	55%	0.545	23%	0.226	S	C	.	.	H	α-helix	trans	-61	-40.2	177.2	57.1	0	0	0	0	113.4	P633 M639	P633-S635 PolarHBondContact O-N 2.79Å; S635-M639 PolarHBondContact O-N 2.88Å
636	L	92.1	Very high	92.1	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	23%	0.225	C	C	.	.	H	α-helix	trans	-73.8	-41.8	177.8	-69.7	-174.2	0	0	0	111.7	P633 S634 M639 V640 L650 K701 F702 W705	P633-L636 HydrophobicContact CG-CB 4.18Å; P633-L636 HydrophobicContact CG-CD1 3.9Å; P633-L636 HydrophobicContact CG-CG 3.81Å; P633-L636 PolarHBondContact O-N 3.24Å; S634-L636 PolarHBondContact O-N 2.88Å; L636-M639 WeakPolarHBondContact O-CB 3.07Å; L636-M639 PolarHBondContact O-N 3.01Å; L636-V640 PolarHBondContact O-N 3.06Å; L636-V640 VanDerWaalsContact O-N 3.12Å; L636-L650 HydrophobicContact CB-CD2 4.34Å; L636-L650 HydrophobicContact CD1-CD1 4.34Å; L636-K701 HydrophobicContact CD2-CG 4.36Å; L636-F702 HydrophobicContact CD2-CD1 3.83Å; L636-F702 HydrophobicContact CD2-CE1 4.08Å; L636-W705 HydrophobicContact CD1-CB 4.08Å; L636-W705 HydrophobicContact CD1-CD2 3.57Å; L636-W705 HydrophobicContact CD1-CE3 3.63Å; L636-W705 HydrophobicContact CD1-CG 3.75Å; L636-W705 HydrophobicContact CD1-CZ3 4.33Å; L636-W705 HydrophobicContact CD2-CB 4.47Å; L636-W705 HydrophobicContact CG-CG 4.41Å
637	K	92.1	Very high	92	Very high	37 Å²	37	40.4 Å²	40.4	16%	0.161	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-47.1	176.7	-67	179.8	-67.8	-172.3	0	111.3	Y628 T629 L632 P633 S634 M639 V640 D641	Y628-K637 HydrophobicContact CE1-CD 4.36Å; Y628-K637 HydrophobicContact CE1-CG 4.15Å; T629-K637 PolarHBondContact O-NZ 2.87Å; L632-K637 WeakPolarHBondContact O-CE 3.42Å; L632-K637 PolarHBondContact O-NZ 3.46Å; P633-K637 PolarHBondContact O-N 3.4Å; S634-K637 PolarHBondContact O-N 3.17Å; K637-M639 VanDerWaalsContact C-N 3.28Å; K637-M639 PolarHBondContact O-N 3.26Å; K637-V640 WeakPolarHBondContact O-CB 3.25Å; K637-V640 PolarHBondContact O-N 3.06Å; K637-V640 VanDerWaalsContact O-N 3.12Å; K637-D641 PolarHBondContact O-N 2.9Å
638	N	92.3	Very high	91.9	Very high	84 Å²	84	40.5 Å²	40.5	45%	0.449	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-36.9	177.4	-67.9	-5.1	0	0	0	112.1	S634 D641 Q642	S634-N638 VanDerWaalsContact O-CB 3.24Å; S634-N638 WeakPolarHBondContact O-CB 3.36Å; S634-N638 PolarHBondContact O-N 2.76Å; S634-N638 PolarHBondContact O-ND2 2.92Å; S634-N638 PolarHBondContact O-OD1 2.84Å; N638-D641 PolarHBondContact O-N 3.21Å; N638-Q642 WeakPolarHBondContact O-CB 3.22Å; N638-Q642 WeakPolarHBondContact O-CG 3.32Å; N638-Q642 PolarHBondContact O-N 3.18Å
639	M	92.5	Very high	91.9	Very high	48 Å²	48	40.3 Å²	40.3	24%	0.236	22%	0.221	C	C	.	.	H	α-helix	trans	-63.2	-45.7	174.8	175.1	177.6	-68.6	0	0	111.8	S635 L636 K637 D641 Q642 L643 K701	S635-M639 PolarHBondContact O-N 2.88Å; L636-M639 WeakPolarHBondContact O-CB 3.07Å; L636-M639 PolarHBondContact O-N 3.01Å; K637-M639 VanDerWaalsContact C-N 3.28Å; K637-M639 PolarHBondContact O-N 3.26Å; M639-D641 VanDerWaalsContact C-N 3.32Å; M639-D641 PolarHBondContact O-N 2.87Å; M639-Q642 PolarHBondContact O-N 2.82Å; M639-L643 HydrophobicContact CG-CD1 3.87Å; M639-L643 WeakPolarHBondContact O-CB 3.44Å; M639-L643 VanDerWaalsContact O-CG 3.3Å; M639-L643 WeakPolarHBondContact O-CG 3.34Å; M639-L643 PolarHBondContact O-N 2.98Å; M639-K701 HydrophobicContact CE-CD 4.23Å; M639-K701 HydrophobicContact CE-CG 3.77Å; M639-K701 HydrophobicContact SD-CB 4.17Å; M639-K701 HydrophobicContact SD-CG 3.84Å
640	V	93	Very high	92.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-43.3	176	166	0	0	0	0	110.9	L636 K637 L643 A644 N645 E647 L650 F702	L636-V640 PolarHBondContact O-N 3.06Å; L636-V640 VanDerWaalsContact O-N 3.12Å; K637-V640 WeakPolarHBondContact O-CB 3.25Å; K637-V640 PolarHBondContact O-N 3.06Å; K637-V640 VanDerWaalsContact O-N 3.12Å; V640-L643 PolarHBondContact O-N 2.98Å; V640-A644 WeakPolarHBondContact O-CA 3.42Å; V640-A644 PolarHBondContact O-N 2.66Å; V640-N645 PolarHBondContact O-N 3.44Å; V640-E647 HydrophobicContact CG1-CB 3.51Å; V640-L650 HydrophobicContact CG2-CB 4.44Å; V640-L650 HydrophobicContact CG2-CD2 3.79Å; V640-F702 HydrophobicContact CG2-CE1 4.46Å; V640-F702 HydrophobicContact CG2-CZ 3.85Å
641	D	91.2	Very high	92.3	Very high	42 Å²	42	34.6 Å²	34.6	23%	0.225	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-39.9	180	-67.4	-28.4	0	0	0	112.6	V539 S541 K637 N638 M639 A644	V539-D641 HydrophobicContact CB-CB 4.22Å; V539-D641 HydrophobicContact CG1-CB 4.19Å; S541-D641 WeakPolarHBondContact CB-OD1 3.24Å; S541-D641 VanDerWaalsContact OG-CG 3.3Å; S541-D641 PolarHBondContact OG-OD1 3.46Å; S541-D641 PolarHBondContact OG-OD2 3.26Å; K637-D641 PolarHBondContact O-N 2.9Å; N638-D641 PolarHBondContact O-N 3.21Å; M639-D641 VanDerWaalsContact C-N 3.32Å; M639-D641 PolarHBondContact O-N 2.87Å; D641-A644 PolarHBondContact O-N 3.06Å
642	Q	90.8	Very high	92.6	Very high	163 Å²	163	32.5 Å²	32.5	76%	0.762	19%	0.185	S	C	*	.	H	α-helix	trans	-66.8	-39.3	176.3	-75.7	171.2	-0.8	0	0	112.7	N638 M639 A644	N638-Q642 WeakPolarHBondContact O-CB 3.22Å; N638-Q642 WeakPolarHBondContact O-CG 3.32Å; N638-Q642 PolarHBondContact O-N 3.18Å; M639-Q642 PolarHBondContact O-N 2.82Å; Q642-A644 VanDerWaalsContact C-N 3.33Å
643	L	89.4	Confident	92.8	Very high	59 Å²	59	32.2 Å²	32.2	31%	0.309	18%	0.184	S	C	.	.	H	α-helix	trans	-79.8	-18.5	178.3	-67.3	175	0	0	0	112.6	M639 V640 N645 Q694	M639-L643 HydrophobicContact CG-CD1 3.87Å; M639-L643 WeakPolarHBondContact O-CB 3.44Å; M639-L643 VanDerWaalsContact O-CG 3.3Å; M639-L643 WeakPolarHBondContact O-CG 3.34Å; M639-L643 PolarHBondContact O-N 2.98Å; V640-L643 PolarHBondContact O-N 2.98Å; L643-N645 HydrophobicContact CB-CB 4.34Å; L643-N645 PolarHBondContact O-N 3.42Å; L643-Q694 HydrophobicContact CD2-CG 4.44Å
644	A	88.1	Confident	93.1	Very high	47 Å²	47	31 Å²	31	39%	0.388	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	41.3	-169.4	0	0	0	0	0	112.3	M540 V640 D641 Q642	M540-A644 HydrophobicContact CG-CB 4.27Å; V640-A644 WeakPolarHBondContact O-CA 3.42Å; V640-A644 PolarHBondContact O-N 2.66Å; D641-A644 PolarHBondContact O-N 3.06Å; Q642-A644 VanDerWaalsContact C-N 3.33Å
645	N	90	Very high	93.4	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.027	15%	0.153	C	C	.	.			trans	-158.9	167.9	-173.7	-161.2	-10.7	0	0	0	109.9	V640 L643 E647 H691 Q694 R695	V640-N645 PolarHBondContact O-N 3.44Å; L643-N645 HydrophobicContact CB-CB 4.34Å; L643-N645 PolarHBondContact O-N 3.42Å; N645-E647 PolarHBondContact O-N 3.27Å; N645-H691 PolarHBondContact ND2-CD2 3.32Å; N645-H691 PolarHBondContact ND2-NE2 2.89Å; N645-H691 PolarHBondContact OD1-NE2 2.89Å; N645-Q694 PolarHBondContact ND2-OE1 3.05Å; N645-R695 PolarHBondContact OD1-NE 2.96Å; N645-R695 PolarHBondContact OD1-NH2 3.17Å
646	C	93.2	Very high	93.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.			trans	69.3	7.9	173	-44.7	0	0	0	0	116.4	D648 I649 L650 C698 F702	C646-D648 VanDerWaalsContact C-N 3.26Å; C646-D648 PolarHBondContact O-N 3.3Å; C646-I649 HydrophobicContact CB-CD1 4.41Å; C646-I649 PolarHBondContact O-N 3.33Å; C646-L650 WeakPolarHBondContact O-CB 2.94Å; C646-L650 PolarHBondContact O-N 2.92Å; C646-C698 HydrophobicContact CB-CB 3.43Å; C646-C698 VanDerWaalsContact CB-CB 3.43Å; C646-C698 WeakPolarHBondContact CB-SG 3.45Å; C646-C698 WeakPolarHBondContact SG-CB 3.24Å; C646-C698 CovalentContact SG-SG 2.03Å; C646-C698 PolarHBondContact SG-SG 3.05Å; C646-F702 HydrophobicContact CB-CE2 4.08Å; C646-F702 HydrophobicContact CB-CZ 4.11Å
647	E	93.8	Very high	93.7	Very high	8 Å²	8	24.1 Å²	24.1	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-62.6	-37.5	175.5	82.6	-61	154.8	0	0	111.1	F544 V640 N645 L650 M651	F544-E647 HydrophobicContact CE2-CB 3.78Å; F544-E647 HydrophobicContact CE2-CG 3.69Å; F544-E647 HydrophobicContact CZ-CG 4.16Å; V640-E647 HydrophobicContact CG1-CB 3.51Å; N645-E647 PolarHBondContact O-N 3.27Å; E647-L650 PolarHBondContact O-N 3.44Å; E647-M651 WeakPolarHBondContact O-CB 3.07Å; E647-M651 PolarHBondContact O-N 3.21Å
648	D	94.8	Very high	93.9	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-43.6	174	57.4	-0	0	0	0	112.5	L614 T615 C646 M651 N652 R695	L614-D648 HydrophobicContact CD2-CB 4.42Å; L614-D648 VanDerWaalsContact CD2-OD2 3.27Å; L614-D648 WeakPolarHBondContact CD2-OD2 3.3Å; T615-D648 HydrophobicContact CG2-CB 4.27Å; C646-D648 VanDerWaalsContact C-N 3.26Å; C646-D648 PolarHBondContact O-N 3.3Å; D648-M651 PolarHBondContact O-N 2.9Å; D648-N652 PolarHBondContact O-N 2.05Å; D648-N652 PolarHBondContact O-ND2 3.14Å; D648-R695 IonicContact OD1-CZ 3.79Å; D648-R695 IonicContact OD1-NH1 2.82Å; D648-R695 PolarHBondContact OD1-NH1 2.97Å; D648-R695 IonicContact OD1-NH2 3.24Å; D648-R695 PolarHBondContact OD1-NH2 3.46Å; D648-R695 IonicContact OD2-CZ 3.7Å; D648-R695 VanDerWaalsContact OD2-CZ 3.27Å; D648-R695 IonicContact OD2-NH1 2.72Å; D648-R695 PolarHBondContact OD2-NH1 3.46Å; D648-R695 IonicContact OD2-NH2 2.74Å; D648-R695 PolarHBondContact OD2-NH2 2.88Å
649	I	96	Very high	93.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.1	-47.5	175.9	-62.3	173.4	0	0	0	109.1	Y602 M612 C646 M651 N652 F653 R695 F702	Y602-I649 HydrophobicContact CD2-CD1 4.12Å; Y602-I649 HydrophobicContact CE2-CD1 4.26Å; M612-I649 HydrophobicContact SD-CG1 4.23Å; M612-I649 HydrophobicContact SD-CG2 4.2Å; C646-I649 HydrophobicContact CB-CD1 4.41Å; C646-I649 PolarHBondContact O-N 3.33Å; I649-M651 VanDerWaalsContact C-N 3.32Å; I649-M651 PolarHBondContact O-N 3.38Å; I649-N652 PolarHBondContact O-N 2.91Å; I649-N652 VanDerWaalsContact O-N 3.17Å; I649-F653 HydrophobicContact CG2-CD2 3.72Å; I649-F653 HydrophobicContact CG2-CE2 3.61Å; I649-F653 VanDerWaalsContact O-CD2 3.27Å; I649-F653 WeakPolarHBondContact O-CD2 3.45Å; I649-F653 PolarHBondContact O-N 3.25Å; I649-R695 HydrophobicContact CD1-CB 3.8Å; I649-R695 HydrophobicContact CD1-CG 3.8Å; I649-F702 HydrophobicContact CB-CE2 4.26Å; I649-F702 HydrophobicContact CG2-CD2 3.92Å; I649-F702 HydrophobicContact CG2-CE2 4.05Å
650	L	96.6	Very high	93.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-40.8	-179.9	-175	54.6	0	0	0	111.6	Y628 L632 L636 V640 C646 E647 F653 L654 F702 F706	Y628-L650 HydrophobicContact CE2-CB 4.26Å; Y628-L650 HydrophobicContact CE2-CD2 3.84Å; Y628-L650 HydrophobicContact CE2-CG 3.9Å; L632-L650 HydrophobicContact CD1-CD1 4.11Å; L632-L650 HydrophobicContact CD1-CD2 3.96Å; L632-L650 HydrophobicContact CD1-CG 3.84Å; L636-L650 HydrophobicContact CB-CD2 4.34Å; L636-L650 HydrophobicContact CD1-CD1 4.34Å; V640-L650 HydrophobicContact CG2-CB 4.44Å; V640-L650 HydrophobicContact CG2-CD2 3.79Å; C646-L650 WeakPolarHBondContact O-CB 2.94Å; C646-L650 PolarHBondContact O-N 2.92Å; E647-L650 PolarHBondContact O-N 3.44Å; L650-F653 WeakPolarHBondContact O-CB 3.37Å; L650-F653 PolarHBondContact O-N 3.3Å; L650-L654 WeakPolarHBondContact O-CB 3.49Å; L650-L654 PolarHBondContact O-N 3.32Å; L650-F702 HydrophobicContact CB-CD2 4.26Å; L650-F702 HydrophobicContact CB-CE2 3.67Å; L650-F702 HydrophobicContact CB-CZ 3.89Å; L650-F702 HydrophobicContact CD1-CD1 4.09Å; L650-F702 HydrophobicContact CD1-CD2 4.14Å; L650-F702 HydrophobicContact CD1-CE1 4.17Å; L650-F702 HydrophobicContact CD1-CE2 4.21Å; L650-F702 HydrophobicContact CD1-CG 4.09Å; L650-F702 HydrophobicContact CD1-CZ 4.23Å; L650-F702 HydrophobicContact CD2-CE1 4.47Å; L650-F702 HydrophobicContact CD2-CZ 4.32Å; L650-F702 HydrophobicContact CG-CE2 4.44Å; L650-F702 HydrophobicContact CG-CZ 4.37Å; L650-F706 HydrophobicContact CD1-CE2 4.5Å
651	M	97.2	Very high	93.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-43.9	174.1	-174.7	59.4	78.3	0	0	112	F544 I583 T615 Y628 E647 D648 I649 F653 L654 V655	F544-M651 HydrophobicContact CB-CE 4.01Å; F544-M651 HydrophobicContact CD1-CE 3.37Å; F544-M651 HydrophobicContact CD2-CE 3.94Å; F544-M651 HydrophobicContact CE1-CE 3.71Å; F544-M651 HydrophobicContact CE2-CB 4.44Å; F544-M651 HydrophobicContact CE2-CE 4.21Å; F544-M651 HydrophobicContact CG-CE 3.5Å; F544-M651 HydrophobicContact CZ-CB 4.24Å; F544-M651 HydrophobicContact CZ-CE 4.12Å; I583-M651 HydrophobicContact CD1-CG 4.38Å; T615-M651 HydrophobicContact CG2-CB 3.96Å; T615-M651 HydrophobicContact CG2-CG 3.92Å; Y628-M651 HydrophobicContact CD2-CE 3.72Å; Y628-M651 HydrophobicContact CD2-SD 4.43Å; Y628-M651 HydrophobicContact CG-CE 4.09Å; E647-M651 WeakPolarHBondContact O-CB 3.07Å; E647-M651 PolarHBondContact O-N 3.21Å; D648-M651 PolarHBondContact O-N 2.9Å; I649-M651 VanDerWaalsContact C-N 3.32Å; I649-M651 PolarHBondContact O-N 3.38Å; M651-F653 VanDerWaalsContact C-N 3.33Å; M651-F653 PolarHBondContact O-N 2.9Å; M651-L654 PolarHBondContact O-N 3.24Å; M651-L654 HydrophobicContact SD-CD2 4.29Å; M651-V655 HydrophobicContact CG-CG2 4.48Å; M651-V655 WeakPolarHBondContact O-CG2 3.3Å; M651-V655 PolarHBondContact O-N 2.95Å; M651-V655 HydrophobicContact SD-CG2 4.17Å
652	N	97.6	Very high	94	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-63.8	-38.7	176	-82.2	-96.5	0	0	0	112.1	I583 M612 V613 D648 I649 S656 L711	I583-N652 HydrophobicContact CD1-CB 4.49Å; M612-N652 VanDerWaalsContact CA-OD1 3.28Å; M612-N652 WeakPolarHBondContact CA-OD1 3.38Å; M612-N652 HydrophobicContact CB-CB 4.3Å; M612-N652 HydrophobicContact CG-CB 3.84Å; V613-N652 PolarHBondContact N-OD1 3.34Å; V613-N652 PolarHBondContact O-ND2 3.19Å; V613-N652 PolarHBondContact O-OD1 2.88Å; D648-N652 PolarHBondContact O-N 2.05Å; D648-N652 PolarHBondContact O-ND2 3.14Å; I649-N652 PolarHBondContact O-N 2.91Å; I649-N652 VanDerWaalsContact O-N 3.17Å; N652-S656 WeakPolarHBondContact O-CB 3.43Å; N652-S656 PolarHBondContact O-N 2.65Å; N652-S656 PolarHBondContact O-OG 3.24Å; N652-L711 HydrophobicContact CB-CD2 4.03Å
653	F	97.1	Very high	94.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-47.1	173.7	-93.4	-115.8	0	0	0	111.2	I649 L650 M651 A657 M699 F702 A703 F706 M709 P710 L711	I649-F653 HydrophobicContact CG2-CD2 3.72Å; I649-F653 HydrophobicContact CG2-CE2 3.61Å; I649-F653 VanDerWaalsContact O-CD2 3.27Å; I649-F653 WeakPolarHBondContact O-CD2 3.45Å; I649-F653 PolarHBondContact O-N 3.25Å; L650-F653 WeakPolarHBondContact O-CB 3.37Å; L650-F653 PolarHBondContact O-N 3.3Å; M651-F653 VanDerWaalsContact C-N 3.33Å; M651-F653 PolarHBondContact O-N 2.9Å; F653-A657 WeakPolarHBondContact O-CB 3.36Å; F653-A657 PolarHBondContact O-N 2.98Å; F653-M699 HydrophobicContact CE2-CG 4.18Å; F653-M699 HydrophobicContact CZ-CG 3.87Å; F653-F702 HydrophobicContact CD1-CB 3.66Å; F653-F702 HydrophobicContact CE1-CB 3.67Å; F653-F702 HydrophobicContact CG-CB 4.21Å; F653-F702 HydrophobicContact CZ-CB 4.2Å; F653-A703 HydrophobicContact CE1-CB 4.12Å; F653-F706 HydrophobicContact CB-CD2 4.41Å; F653-F706 HydrophobicContact CB-CE2 3.8Å; F653-F706 HydrophobicContact CB-CZ 4.31Å; F653-F706 AromaticContact CD1-CD2 3.78Å; F653-F706 HydrophobicContact CD1-CD2 3.78Å; F653-F706 HydrophobicContact CD1-CE2 4.01Å; F653-F706 HydrophobicContact CG-CE2 4.4Å; F653-M709 HydrophobicContact CE1-CE 4.38Å; F653-M709 HydrophobicContact CE1-SD 3.95Å; F653-M709 HydrophobicContact CE2-SD 4.32Å; F653-M709 HydrophobicContact CZ-CE 3.84Å; F653-M709 HydrophobicContact CZ-SD 3.58Å; F653-M709 VanDerWaalsContact CZ-SD 3.58Å; F653-P710 HydrophobicContact CB-CG 4.1Å; F653-P710 HydrophobicContact CD1-CG 3.31Å; F653-P710 VanDerWaalsContact CE1-CD 3.5Å; F653-P710 HydrophobicContact CE1-CG 3.86Å; F653-P710 HydrophobicContact CG-CG 3.8Å; F653-L711 HydrophobicContact CD2-CD1 3.97Å; F653-L711 HydrophobicContact CD2-CD2 3.79Å; F653-L711 HydrophobicContact CD2-CG 3.84Å; F653-L711 HydrophobicContact CE2-CD1 3.46Å; F653-L711 VanDerWaalsContact CE2-CD1 3.46Å; F653-L711 HydrophobicContact CE2-CD2 4.15Å; F653-L711 HydrophobicContact CE2-CG 3.71Å; F653-L711 HydrophobicContact CG-CD2 4.43Å; F653-L711 HydrophobicContact CZ-CD1 4.14Å; F653-L711 HydrophobicContact CZ-CG 4.26Å
654	L	96.7	Very high	94.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60	-54.2	177.9	176.6	63.7	0	0	0	111.4	L627 Y628 Y631 L632 L650 M651 S656 A657 V658	L627-L654 HydrophobicContact CB-CD1 4.33Å; L627-L654 HydrophobicContact CB-CD2 3.9Å; L627-L654 HydrophobicContact CB-CG 4.5Å; Y628-L654 HydrophobicContact CD2-CD2 4.44Å; Y631-L654 HydrophobicContact CD1-CD1 4.22Å; L632-L654 HydrophobicContact CD1-CD2 4.19Å; L632-L654 HydrophobicContact CD2-CD1 4.16Å; L632-L654 HydrophobicContact CG-CD1 4.4Å; L632-L654 HydrophobicContact CG-CD2 4.47Å; L650-L654 WeakPolarHBondContact O-CB 3.49Å; L650-L654 PolarHBondContact O-N 3.32Å; M651-L654 PolarHBondContact O-N 3.24Å; M651-L654 HydrophobicContact SD-CD2 4.29Å; L654-S656 VanDerWaalsContact C-N 3.35Å; L654-S656 PolarHBondContact O-N 3.38Å; L654-A657 PolarHBondContact O-N 3.19Å; L654-V658 HydrophobicContact CD1-CG2 4.27Å; L654-V658 VanDerWaalsContact O-CG2 3.25Å; L654-V658 WeakPolarHBondContact O-CG2 3.45Å; L654-V658 PolarHBondContact O-N 3.26Å
655	V	97.1	Very high	94.9	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.03	5%	0.052	C	C	.	.	H	α-helix	trans	-63.3	-41.4	-178.2	178.8	0	0	0	0	111.4	I583 Y624 M651 A657 V658 T659	I583-V655 HydrophobicContact CD1-CB 3.94Å; I583-V655 HydrophobicContact CD1-CG1 4.37Å; I583-V655 HydrophobicContact CD1-CG2 3.8Å; I583-V655 HydrophobicContact CG1-CB 4.13Å; I583-V655 HydrophobicContact CG1-CG1 4.04Å; I583-V655 HydrophobicContact CG1-CG2 3.94Å; Y624-V655 HydrophobicContact CD1-CG2 3.66Å; Y624-V655 HydrophobicContact CD2-CG2 3.82Å; Y624-V655 HydrophobicContact CE1-CB 4.35Å; Y624-V655 HydrophobicContact CE1-CG1 4.21Å; Y624-V655 HydrophobicContact CE1-CG2 3.86Å; Y624-V655 HydrophobicContact CE2-CG1 4.09Å; Y624-V655 HydrophobicContact CE2-CG2 4.01Å; Y624-V655 HydrophobicContact CG-CG2 3.66Å; M651-V655 HydrophobicContact CG-CG2 4.48Å; M651-V655 WeakPolarHBondContact O-CG2 3.3Å; M651-V655 PolarHBondContact O-N 2.95Å; M651-V655 HydrophobicContact SD-CG2 4.17Å; V655-A657 VanDerWaalsContact C-N 3.34Å; V655-V658 PolarHBondContact O-N 2.66Å; V655-T659 HydrophobicContact CG1-CG2 4.07Å; V655-T659 WeakPolarHBondContact O-CB 3.43Å; V655-T659 WeakPolarHBondContact O-CG2 3.35Å; V655-T659 PolarHBondContact O-N 2.97Å; V655-T659 PolarHBondContact O-OG1 3.17Å
656	S	95.7	Very high	95	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.021	5%	0.051	C	C	.	.	H	α-helix	trans	-67.8	-34.9	177.1	-54.8	0	0	0	0	111.8	N652 L654 K660 P710	N652-S656 WeakPolarHBondContact O-CB 3.43Å; N652-S656 PolarHBondContact O-N 2.65Å; N652-S656 PolarHBondContact O-OG 3.24Å; L654-S656 VanDerWaalsContact C-N 3.35Å; L654-S656 PolarHBondContact O-N 3.38Å; S656-K660 WeakPolarHBondContact O-CA 3.46Å; S656-K660 PolarHBondContact O-N 3.24Å; S656-P710 WeakPolarHBondContact CB-O 3.36Å
657	A	93.5	Very high	94.6	Very high	2 Å²	2	11.6 Å²	11.6	2%	0.017	6%	0.06	C	C	.	.	H	α-helix	trans	-67.8	-38	176.6	0	0	0	0	0	112	F653 L654 V655 K660 F706 P710	F653-A657 WeakPolarHBondContact O-CB 3.36Å; F653-A657 PolarHBondContact O-N 2.98Å; L654-A657 PolarHBondContact O-N 3.19Å; V655-A657 VanDerWaalsContact C-N 3.34Å; A657-K660 WeakPolarHBondContact O-CD 3.49Å; A657-K660 WeakPolarHBondContact O-CE 3.15Å; A657-K660 PolarHBondContact O-NZ 3.44Å; A657-F706 HydrophobicContact CB-CD1 3.86Å; A657-F706 HydrophobicContact CB-CE1 3.53Å; A657-F706 HydrophobicContact CB-CZ 4.34Å; A657-P710 HydrophobicContact CB-CB 3.83Å
658	V	94.6	Very high	93.7	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-71.3	-55.5	176.8	174.1	0	0	0	0	110.4	H442 P443 F447 Y624 L627 L654 V655	H442-V658 PolarHBondContact NE2-O 2.8Å; P443-V658 HydrophobicContact CB-CG1 3.82Å; P443-V658 WeakPolarHBondContact CB-O 3.1Å; P443-V658 HydrophobicContact CG-CG1 3.9Å; F447-V658 HydrophobicContact CB-CG1 4.18Å; F447-V658 HydrophobicContact CB-CG2 4.21Å; F447-V658 HydrophobicContact CD1-CG2 3.61Å; F447-V658 HydrophobicContact CE1-CG2 4.08Å; F447-V658 HydrophobicContact CG-CB 4.47Å; F447-V658 HydrophobicContact CG-CG2 3.93Å; Y624-V658 HydrophobicContact CE1-CB 4.48Å; Y624-V658 HydrophobicContact CE1-CG1 4.35Å; L627-V658 HydrophobicContact CD1-CG2 3.82Å; L654-V658 HydrophobicContact CD1-CG2 4.27Å; L654-V658 VanDerWaalsContact O-CG2 3.25Å; L654-V658 WeakPolarHBondContact O-CG2 3.45Å; L654-V658 PolarHBondContact O-N 3.26Å; V655-V658 PolarHBondContact O-N 2.66Å
659	T	93.3	Very high	92.4	Very high	7 Å²	7	19.3 Å²	19.3	4%	0.043	9%	0.094	C	C	.	.	H	α-helix	trans	-85.2	-24.1	-168.8	62.5	0	0	0	0	113.4	H442 E581 Y624 V655 L661	H442-T659 VanDerWaalsContact NE2-C 3.31Å; H442-T659 PolarHBondContact NE2-O 3.39Å; E581-T659 HydrophobicContact CB-CG2 4.32Å; E581-T659 HydrophobicContact CG-CG2 4.36Å; E581-T659 VanDerWaalsContact O-CG2 3.29Å; E581-T659 WeakPolarHBondContact O-CG2 3.06Å; Y624-T659 VanDerWaalsContact OH-CG2 3.28Å; Y624-T659 WeakPolarHBondContact OH-CG2 3.4Å; V655-T659 HydrophobicContact CG1-CG2 4.07Å; V655-T659 WeakPolarHBondContact O-CB 3.43Å; V655-T659 WeakPolarHBondContact O-CG2 3.35Å; V655-T659 PolarHBondContact O-N 2.97Å; V655-T659 PolarHBondContact O-OG1 3.17Å; T659-L661 WeakPolarHBondContact O-CG 3.08Å; T659-L661 PolarHBondContact O-N 2.93Å; T659-L661 PolarHBondContact OG1-N 3.37Å
660	K	91.1	Very high	90.5	Very high	66 Å²	66	28.5 Å²	28.5	29%	0.287	13%	0.134	S	C	.	.			trans	57.2	18.7	-168.4	-48.9	-56.1	-170.9	-162.2	0	113.7	S656 A657	S656-K660 WeakPolarHBondContact O-CA 3.46Å; S656-K660 PolarHBondContact O-N 3.24Å; A657-K660 WeakPolarHBondContact O-CD 3.49Å; A657-K660 WeakPolarHBondContact O-CE 3.15Å; A657-K660 PolarHBondContact O-NZ 3.44Å
661	L	92.7	Very high	88.1	Confident	57 Å²	57	35 Å²	35	30%	0.298	17%	0.165	S	C	.	.			trans	-115.5	147.3	-177.2	-66.5	165.2	0	0	0	109.9	E581 T659	E581-L661 HydrophobicContact CG-CD1 4.15Å; T659-L661 WeakPolarHBondContact O-CG 3.08Å; T659-L661 PolarHBondContact O-N 2.93Å; T659-L661 PolarHBondContact OG1-N 3.37Å
662	P	95	Very high	85.7	Confident	20 Å²	20	37.8 Å²	37.8	13%	0.13	18%	0.176	C	C	.	.			trans	-74.6	154.8	174.7	32.2	-35.3	0	0	0	111.2	R582 V712	R582-P662 WeakPolarHBondContact CD-O 3.28Å; P662-V712 HydrophobicContact CB-CB 4.08Å; P662-V712 HydrophobicContact CB-CG1 4.16Å; P662-V712 WeakPolarHBondContact CB-O 3.49Å; P662-V712 HydrophobicContact CG-CG1 4.28Å
663	P	96.2	Very high	83	Confident	4 Å²	4	44.8 Å²	44.8	3%	0.026	21%	0.206	C	C	.	.			trans	-67.2	169.5	173.3	29.9	-34.3	0	0	0	111.9	I583 Y610 V613	I583-P663 HydrophobicContact CB-CB 4.16Å; I583-P663 WeakPolarHBondContact O-CA 3.46Å; I583-P663 WeakPolarHBondContact O-CB 3.24Å; Y610-P663 HydrophobicContact CD2-CG 4.27Å; Y610-P663 HydrophobicContact CE2-CG 4.08Å; Y610-P663 VanDerWaalsContact CE2-O 3.29Å; Y610-P663 WeakPolarHBondContact CE2-O 3.08Å; Y610-P663 PolarHBondContact OH-O 2.92Å; Y610-P663 VanDerWaalsContact OH-O 3.1Å; V613-P663 HydrophobicContact CB-CB 4.16Å; V613-P663 HydrophobicContact CG2-CB 3.78Å; V613-P663 HydrophobicContact CG2-CG 4.04Å
664	I	96	Very high	80.2	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.9	178.6	-54.3	-62.7	0	0	0	110.5	V575 F579 R582 I583 V584 G585 L718	V575-I664 HydrophobicContact CG1-CG2 4.08Å; F579-I664 HydrophobicContact CB-CG1 4.42Å; F579-I664 HydrophobicContact CD2-CG1 4.23Å; F579-I664 HydrophobicContact CG-CG1 4.26Å; R582-I664 HydrophobicContact CB-CG1 4.44Å; I583-I664 PolarHBondContact O-N 2.73Å; V584-I664 WeakPolarHBondContact CA-O 3.31Å; V584-I664 HydrophobicContact CG2-CB 4.08Å; V584-I664 HydrophobicContact CG2-CG1 4.41Å; G585-I664 PolarHBondContact N-O 3.41Å; G585-I664 VanDerWaalsContact N-O 3.08Å; I664-L718 HydrophobicContact CG2-CD1 3.89Å; I664-L718 HydrophobicContact CG2-CG 4.37Å
665	K	94.1	Very high	77.8	Confident	29 Å²	29	54.9 Å²	54.9	13%	0.126	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.5	176.4	177.8	-175.1	-179.5	179.3	0	112.1	A588 Y610 S717 L718	A588-K665 HydrophobicContact CB-CB 4.43Å; A588-K665 HydrophobicContact CB-CD 3.63Å; A588-K665 HydrophobicContact CB-CG 3.95Å; Y610-K665 HydrophobicContact CD1-CB 4.24Å; Y610-K665 HydrophobicContact CD1-CD 4Å; Y610-K665 HydrophobicContact CD2-CB 4.4Å; Y610-K665 HydrophobicContact CE1-CB 3.64Å; Y610-K665 HydrophobicContact CE1-CD 4.02Å; Y610-K665 HydrophobicContact CE2-CB 3.83Å; Y610-K665 VanDerWaalsContact CZ-CB 3.42Å; Y610-K665 PolarHBondContact OH-N 3.02Å; K665-S717 VanDerWaalsContact O-CA 3.32Å; K665-S717 WeakPolarHBondContact O-CA 3.39Å; K665-L718 PolarHBondContact O-N 3.35Å
666	I	92.1	Very high	75.1	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	142.4	170.2	-64.6	179.2	0	0	0	109.9	F571 A572 V575 V584 G585 Y586 L718	F571-I666 HydrophobicContact CD1-CD1 4.24Å; F571-I666 HydrophobicContact CD1-CG2 3.71Å; F571-I666 HydrophobicContact CE1-CD1 4.27Å; F571-I666 HydrophobicContact CE1-CG1 4.29Å; F571-I666 HydrophobicContact CE1-CG2 3.68Å; A572-I666 HydrophobicContact CB-CD1 3.86Å; V575-I666 HydrophobicContact CB-CD1 3.97Å; V575-I666 HydrophobicContact CG1-CD1 4.14Å; V575-I666 HydrophobicContact CG1-CG1 4.46Å; V575-I666 HydrophobicContact CG2-CD1 4.1Å; V584-I666 HydrophobicContact CG1-CD1 3.35Å; V584-I666 HydrophobicContact CG1-CG1 3.94Å; G585-I666 PolarHBondContact O-N 2.76Å; Y586-I666 HydrophobicContact CD1-CB 4.19Å; Y586-I666 HydrophobicContact CD1-CG2 3.89Å; Y586-I666 HydrophobicContact CE1-CB 4.26Å; Y586-I666 HydrophobicContact CE1-CG2 3.6Å; I666-L718 WeakPolarHBondContact CA-O 3.46Å
667	T	84.9	Confident	72.3	Confident	32 Å²	32	67 Å²	67	20%	0.196	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-87.6	130.6	173	63.6	0	0	0	0	112.5	S717 L718 R719	T667-S717 WeakPolarHBondContact CG2-OG 3.42Å; T667-L718 PolarHBondContact N-O 2.92Å; T667-R719 HydrophobicContact CG2-CG 3.81Å; T667-R719 WeakPolarHBondContact OG1-CB 3.39Å; T667-R719 WeakPolarHBondContact OG1-CD 3.33Å; T667-R719 WeakPolarHBondContact OG1-CG 3.48Å
668	Q	76	Confident	69.6	Low	47 Å²	47	69.6 Å²	69.6	22%	0.22	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-81.9	152	169.2	-161.1	174.1	1.9	0	0	111.1	V563 L564 E568 Y586 Y672	V563-Q668 PolarHBondContact O-NE2 2.97Å; L564-Q668 HydrophobicContact CD2-CG 4.33Å; E568-Q668 VanDerWaalsContact OE1-CG 3.28Å; E568-Q668 WeakPolarHBondContact OE1-CG 3.48Å; Y586-Q668 HydrophobicContact CD1-CB 4.01Å; Y586-Q668 HydrophobicContact CD1-CG 4.46Å; Q668-Y672 VanDerWaalsContact OE1-CB 3.24Å; Q668-Y672 VanDerWaalsContact OE1-CG 3.3Å
669	K	68.1	Low	67	Low	124 Å²	124	75.6 Å²	75.6	54%	0.539	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-62.1	150.6	168	-72.2	177.5	180	168.8	0	109.5	E568 Q671	E568-K669 PolarHBondContact OE1-N 3.22Å; K669-Q671 PolarHBondContact O-N 3.3Å
670	K	54.8	Low	64.2	Low	193 Å²	193	81 Å²	81	84%	0.839	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-9.2	-166.9	-112.2	-177.6	178.6	-176.1	0	117.2	Y672 K673	K670-Y672 VanDerWaalsContact C-N 3.35Å; K670-Y672 PolarHBondContact O-N 3.47Å; K670-K673 PolarHBondContact O-N 3.25Å
671	Q	47.1	Very low	61.6	Low	136 Å²	136	83.1 Å²	83.1	64%	0.636	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.4	-175.7	-104.1	170.7	-29.5	0	0	114.9	K669 K673 E674 T675	K669-Q671 PolarHBondContact O-N 3.3Å; Q671-K673 PolarHBondContact O-N 2.79Å; Q671-E674 PolarHBondContact O-N 2.81Å; Q671-E674 VanDerWaalsContact O-N 3.16Å; Q671-T675 PolarHBondContact O-OG1 3.38Å
672	Y	45.6	Very low	59.2	Low	60 Å²	60	91 Å²	91	24%	0.235	46%	0.459	C	S	.	.	H	α-helix	trans	-60.9	-28.6	-179.3	-170	-95.6	0	0	0	113.8	W606 Q668 K670 E674 M676	W606-Y672 HydrophobicContact CH2-CE1 4.43Å; Q668-Y672 VanDerWaalsContact OE1-CB 3.24Å; Q668-Y672 VanDerWaalsContact OE1-CG 3.3Å; K670-Y672 VanDerWaalsContact C-N 3.35Å; K670-Y672 PolarHBondContact O-N 3.47Å; Y672-E674 VanDerWaalsContact C-N 3.33Å; Y672-E674 PolarHBondContact O-N 2.81Å; Y672-M676 HydrophobicContact CE1-CG 4.04Å; Y672-M676 HydrophobicContact CE2-CE 4.31Å
673	K	40.8	Very low	56.5	Low	148 Å²	148	94.9 Å²	94.9	64%	0.643	49%	0.493	S	S	*	.	H	α-helix	trans	-66.5	-32.5	178.4	-87.1	-169.4	171.7	-171.4	0	113	K670 Q671 M677	K670-K673 PolarHBondContact O-N 3.25Å; Q671-K673 PolarHBondContact O-N 2.79Å; K673-M677 WeakPolarHBondContact O-CG 3.38Å
674	E	39.1	Very low	54.4	Low	147 Å²	147	97 Å²	97	69%	0.687	51%	0.507	S	S	*	.	H	α-helix	trans	-83	-34.2	-174.8	-73.4	173.4	172	0	0	112	Q671 Y672 M676 M677 G678	Q671-E674 PolarHBondContact O-N 2.81Å; Q671-E674 VanDerWaalsContact O-N 3.16Å; Y672-E674 VanDerWaalsContact C-N 3.33Å; Y672-E674 PolarHBondContact O-N 2.81Å; E674-M676 PolarHBondContact O-N 2.83Å; E674-M677 PolarHBondContact O-N 3.33Å; E674-G678 PolarHBondContact O-N 2.66Å
675	T	45.8	Very low	52.5	Low	64 Å²	64	105.1 Å²	105.1	39%	0.393	54%	0.538	S	S	.	.	H	α-helix	trans	-70.6	-33.6	-177.9	-34.6	0	0	0	0	112.8	Q671	Q671-T675 PolarHBondContact O-OG1 3.38Å
676	M	41.1	Very low	50.6	Low	94 Å²	94	107.5 Å²	107.5	46%	0.463	55%	0.546	S	S	.	.	H	α-helix	trans	-75.4	-24.4	176.7	-73.8	-82.5	152.7	0	0	113.3	Y672 E674	Y672-M676 HydrophobicContact CE1-CG 4.04Å; Y672-M676 HydrophobicContact CE2-CE 4.31Å; E674-M676 PolarHBondContact O-N 2.83Å
677	M	37.6	Very low	48.7	Very low	168 Å²	168	111 Å²	111	83%	0.828	58%	0.575	S	S	*	*	H	α-helix	trans	-93.3	-17.4	178.7	-66.8	-177.1	69.7	0	0	113.2	K673 E674	K673-M677 WeakPolarHBondContact O-CG 3.38Å; E674-M677 PolarHBondContact O-N 3.33Å
678	G	36.4	Very low	47.7	Very low	57 Å²	57	113 Å²	113	59%	0.588	59%	0.585	S	S	*	*	S	Bend	trans	-94.1	-6.1	-176.2	0	0	0	0	0	116.5	E674 S680	E674-G678 PolarHBondContact O-N 2.66Å; G678-S680 PolarHBondContact O-N 2.87Å
679	Q	38.7	Very low	47.4	Very low	127 Å²	127	115.7 Å²	115.7	59%	0.593	61%	0.606	S	S	*	*			trans	-91	76.8	178.4	-73.8	-169	-8	0	0	111.7	S681	Q679-S681 VanDerWaalsContact C-N 3.28Å; Q679-S681 PolarHBondContact O-N 2.75Å
680	S	34.8	Very low	47.9	Very low	120 Å²	120	114.8 Å²	114.8	84%	0.839	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	30.3	176.3	60.3	0	0	0	0	114.3	G678	G678-S680 PolarHBondContact O-N 2.87Å
681	S	37.5	Very low	49.1	Very low	111 Å²	111	106.5 Å²	106.5	78%	0.776	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	2.9	-175	65.5	0	0	0	0	118.5	Q679	Q679-S681 VanDerWaalsContact C-N 3.28Å; Q679-S681 PolarHBondContact O-N 2.75Å
682	R	41.9	Very low	50.9	Low	223 Å²	223	103.7 Å²	103.7	84%	0.842	56%	0.557	S	S	*	*	S	Bend	trans	-145.2	129.9	156.5	-79.1	-172.7	177.5	156.2	-0.5	107.7	S684	R682-S684 PolarHBondContact O-N 2.94Å
683	A	37.7	Very low	52.8	Low	102 Å²	102	103.2 Å²	103.2	84%	0.843	57%	0.566	S	S	*	*			trans	-52.2	107.8	171.5	0	0	0	0	0	108.1	R685	A683-R685 PolarHBondContact O-N 3.19Å
684	S	51.9	Low	55.2	Low	47 Å²	47	99.3 Å²	99.3	33%	0.329	55%	0.55	S	S	.	.			trans	-55.8	131.6	174.2	172.4	0	0	0	0	107.5	R682 W686 A687	R682-S684 PolarHBondContact O-N 2.94Å; S684-W686 PolarHBondContact O-N 3.04Å; S684-W686 WeakPolarHBondContact OG-CB 3.3Å; S684-W686 PolarHBondContact OG-N 2.84Å; S684-A687 WeakPolarHBondContact O-CB 3.43Å; S684-A687 PolarHBondContact O-N 2.86Å
685	R	55.8	Low	57.6	Low	177 Å²	177	92.5 Å²	92.5	67%	0.668	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-51.8	-24.8	175.1	-70.7	-174	-173.3	177.8	2.4	111.9	A683 A687 H691	A683-R685 PolarHBondContact O-N 3.19Å; R685-A687 VanDerWaalsContact C-N 3.34Å; R685-H691 WeakPolarHBondContact O-CB 3.44Å
686	W	54.5	Low	59.8	Low	78 Å²	78	91.5 Å²	91.5	30%	0.295	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-75.6	-14.8	177.6	-59.2	96.4	0	0	0	115.1	L614 S684 H691 F692	L614-W686 HydrophobicContact CD1-CH2 4.09Å; L614-W686 HydrophobicContact CD1-CZ3 4.11Å; S684-W686 PolarHBondContact O-N 3.04Å; S684-W686 WeakPolarHBondContact OG-CB 3.3Å; S684-W686 PolarHBondContact OG-N 2.84Å; W686-H691 AromaticContact CE3-CE1 3.33Å; W686-H691 AromaticContact CE3-NE2 3.86Å; W686-H691 AromaticContact CZ3-CE1 3.62Å; W686-H691 AromaticContact CZ3-NE2 3.99Å; W686-F692 WeakPolarHBondContact O-CE2 3.33Å
687	A	52.3	Low	62.2	Low	75 Å²	75	91.3 Å²	91.3	62%	0.62	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-95.1	-4.5	179.3	0	0	0	0	0	113.1	S684 R685	S684-A687 WeakPolarHBondContact O-CB 3.43Å; S684-A687 PolarHBondContact O-N 2.86Å; R685-A687 VanDerWaalsContact C-N 3.34Å
688	D	64.8	Low	64.9	Low	76 Å²	76	83.3 Å²	83.3	41%	0.406	47%	0.474	S	S	.	.			trans	-72.8	125.5	177.5	-169.6	-18.3	0	0	0	110.7	D690 H691	D688-D690 PolarHBondContact O-N 3.17Å; D688-D690 WeakPolarHBondContact OD1-CB 3.01Å; D688-D690 PolarHBondContact OD1-N 2.89Å; D688-H691 HydrophobicContact CB-CB 4Å; D688-H691 WeakPolarHBondContact O-CB 3.06Å; D688-H691 PolarHBondContact O-N 3.18Å; D688-H691 VanDerWaalsContact O-N 3.15Å
689	P	69.4	Low	67.6	Low	102 Å²	102	80.6 Å²	80.6	66%	0.662	45%	0.446	S	S	*	.	H	α-helix	trans	-54.5	-35.6	172.2	-25.9	35.3	0	0	0	113.5	H691 F692 A693	P689-H691 VanDerWaalsContact C-N 3.28Å; P689-H691 PolarHBondContact O-N 3.39Å; P689-F692 PolarHBondContact O-N 2.89Å; P689-A693 PolarHBondContact O-N 3.3Å
690	D	77.3	Confident	70.3	Confident	105 Å²	105	76.6 Å²	76.6	56%	0.561	43%	0.428	S	S	*	.	H	α-helix	trans	-67.8	-32.3	-179.8	-73.4	-15.3	0	0	0	111.3	D688 F692 A693 Q694	D688-D690 PolarHBondContact O-N 3.17Å; D688-D690 WeakPolarHBondContact OD1-CB 3.01Å; D688-D690 PolarHBondContact OD1-N 2.89Å; D690-F692 VanDerWaalsContact C-N 3.33Å; D690-F692 PolarHBondContact O-N 2.88Å; D690-A693 PolarHBondContact O-N 3.39Å; D690-Q694 WeakPolarHBondContact O-CB 3.32Å; D690-Q694 WeakPolarHBondContact O-CG 3.18Å; D690-Q694 PolarHBondContact O-N 3.48Å
691	H	81.1	Confident	73.1	Confident	20 Å²	20	76 Å²	76	9%	0.093	41%	0.411	C	S	.	.	H	α-helix	trans	-61.8	-39.1	176.2	175.4	-87.1	0	0	0	112.1	N645 R685 W686 D688 P689 R695	N645-H691 PolarHBondContact ND2-CD2 3.32Å; N645-H691 PolarHBondContact ND2-NE2 2.89Å; N645-H691 PolarHBondContact OD1-NE2 2.89Å; R685-H691 WeakPolarHBondContact O-CB 3.44Å; W686-H691 AromaticContact CE3-CE1 3.33Å; W686-H691 AromaticContact CE3-NE2 3.86Å; W686-H691 AromaticContact CZ3-CE1 3.62Å; W686-H691 AromaticContact CZ3-NE2 3.99Å; D688-H691 HydrophobicContact CB-CB 4Å; D688-H691 WeakPolarHBondContact O-CB 3.06Å; D688-H691 PolarHBondContact O-N 3.18Å; D688-H691 VanDerWaalsContact O-N 3.15Å; P689-H691 VanDerWaalsContact C-N 3.28Å; P689-H691 PolarHBondContact O-N 3.39Å; H691-R695 PolarHBondContact CE1-NE 2.77Å; H691-R695 PolarHBondContact NE2-NE 2.88Å; H691-R695 WeakPolarHBondContact O-CG 3.09Å; H691-R695 PolarHBondContact O-N 2.83Å
692	F	83.9	Confident	75.8	Confident	76 Å²	76	70.7 Å²	70.7	33%	0.333	37%	0.374	S	S	.	.	H	α-helix	trans	-70.5	-41.1	174.7	-84.9	-87.3	0	0	0	112.4	Y602 S604 W686 P689 D690 R695 Q696	Y602-F692 AromaticContact CD1-CD1 3.9Å; Y602-F692 HydrophobicContact CD1-CD1 3.9Å; Y602-F692 HydrophobicContact CD1-CE1 4.07Å; Y602-F692 HydrophobicContact CE1-CD1 4Å; Y602-F692 AromaticContact CE1-CE1 3.77Å; Y602-F692 HydrophobicContact CE1-CE1 3.77Å; S604-F692 WeakPolarHBondContact OG-CE1 3.29Å; S604-F692 WeakPolarHBondContact OG-CZ 3.49Å; W686-F692 WeakPolarHBondContact O-CE2 3.33Å; P689-F692 PolarHBondContact O-N 2.89Å; D690-F692 VanDerWaalsContact C-N 3.33Å; D690-F692 PolarHBondContact O-N 2.88Å; F692-R695 PolarHBondContact O-N 2.81Å; F692-Q696 PolarHBondContact O-N 2.88Å; F692-Q696 VanDerWaalsContact O-N 3.11Å
693	A	86.4	Confident	78.3	Confident	51 Å²	51	60.4 Å²	60.4	42%	0.421	34%	0.336	S	S	.	.	H	α-helix	trans	-63.6	-41.2	177.7	0	0	0	0	0	111.9	P689 D690 Q696 T697	P689-A693 PolarHBondContact O-N 3.3Å; D690-A693 PolarHBondContact O-N 3.39Å; A693-Q696 PolarHBondContact O-N 2.86Å; A693-T697 PolarHBondContact O-N 2.93Å; A693-T697 PolarHBondContact O-OG1 2.99Å; A693-T697 VanDerWaalsContact O-OG1 3.11Å
694	Q	90.2	Very high	80.8	Confident	66 Å²	66	59.6 Å²	59.6	31%	0.308	32%	0.324	S	S	.	.	H	α-helix	trans	-60	-48.1	174.2	-73.9	170.8	5.6	0	0	111.6	L643 N645 D690 Q696 T697 C698	L643-Q694 HydrophobicContact CD2-CG 4.44Å; N645-Q694 PolarHBondContact ND2-OE1 3.05Å; D690-Q694 WeakPolarHBondContact O-CB 3.32Å; D690-Q694 WeakPolarHBondContact O-CG 3.18Å; D690-Q694 PolarHBondContact O-N 3.48Å; Q694-Q696 VanDerWaalsContact C-N 3.27Å; Q694-Q696 PolarHBondContact O-N 3.23Å; Q694-T697 WeakPolarHBondContact O-CA 3.39Å; Q694-T697 WeakPolarHBondContact O-CB 3.28Å; Q694-T697 PolarHBondContact O-N 2.99Å; Q694-C698 PolarHBondContact O-N 3Å; Q694-C698 PolarHBondContact O-SG 3.31Å
695	R	91.5	Very high	82.7	Confident	3 Å²	3	60.7 Å²	60.7	1%	0.011	32%	0.321	C	S	.	.	H	α-helix	trans	-59.1	-37.4	177.4	-76.2	-174.7	172	-120.7	-7.1	113	Y602 N645 D648 I649 H691 F692 M699	Y602-R695 HydrophobicContact CD1-CB 4.27Å; Y602-R695 HydrophobicContact CG-CB 4.25Å; Y602-R695 PolarHBondContact OH-NH1 2.71Å; N645-R695 PolarHBondContact OD1-NE 2.96Å; N645-R695 PolarHBondContact OD1-NH2 3.17Å; D648-R695 IonicContact OD1-CZ 3.79Å; D648-R695 IonicContact OD1-NH1 2.82Å; D648-R695 PolarHBondContact OD1-NH1 2.97Å; D648-R695 IonicContact OD1-NH2 3.24Å; D648-R695 PolarHBondContact OD1-NH2 3.46Å; D648-R695 IonicContact OD2-CZ 3.7Å; D648-R695 VanDerWaalsContact OD2-CZ 3.27Å; D648-R695 IonicContact OD2-NH1 2.72Å; D648-R695 PolarHBondContact OD2-NH1 3.46Å; D648-R695 IonicContact OD2-NH2 2.74Å; D648-R695 PolarHBondContact OD2-NH2 2.88Å; I649-R695 HydrophobicContact CD1-CB 3.8Å; I649-R695 HydrophobicContact CD1-CG 3.8Å; H691-R695 PolarHBondContact CE1-NE 2.77Å; H691-R695 PolarHBondContact NE2-NE 2.88Å; H691-R695 WeakPolarHBondContact O-CG 3.09Å; H691-R695 PolarHBondContact O-N 2.83Å; F692-R695 PolarHBondContact O-N 2.81Å; R695-M699 WeakPolarHBondContact O-CB 3.34Å; R695-M699 PolarHBondContact O-N 2.54Å
696	Q	91	Very high	84.3	Confident	43 Å²	43	53.7 Å²	53.7	20%	0.201	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-40.1	174.6	-170.7	161	26.7	0	0	112	W600 F692 A693 Q694 M699 N700	W600-Q696 WeakPolarHBondContact O-CG 3.27Å; W600-Q696 PolarHBondContact O-NE2 3.16Å; W600-Q696 VanDerWaalsContact O-NE2 3.15Å; F692-Q696 PolarHBondContact O-N 2.88Å; F692-Q696 VanDerWaalsContact O-N 3.11Å; A693-Q696 PolarHBondContact O-N 2.86Å; Q694-Q696 VanDerWaalsContact C-N 3.27Å; Q694-Q696 PolarHBondContact O-N 3.23Å; Q696-M699 PolarHBondContact O-N 2.83Å; Q696-N700 PolarHBondContact O-N 3.45Å; Q696-N700 PolarHBondContact O-ND2 3.24Å
697	T	92.3	Very high	85.8	Confident	91 Å²	91	51.2 Å²	51.2	56%	0.558	29%	0.294	S	S	*	.	H	α-helix	trans	-62.1	-47.7	174.3	-59.8	0	0	0	0	111.5	A693 Q694 M699 N700 K701	A693-T697 PolarHBondContact O-N 2.93Å; A693-T697 PolarHBondContact O-OG1 2.99Å; A693-T697 VanDerWaalsContact O-OG1 3.11Å; Q694-T697 WeakPolarHBondContact O-CA 3.39Å; Q694-T697 WeakPolarHBondContact O-CB 3.28Å; Q694-T697 PolarHBondContact O-N 2.99Å; T697-M699 VanDerWaalsContact C-N 3.35Å; T697-M699 PolarHBondContact O-N 2.6Å; T697-N700 PolarHBondContact O-N 3.17Å; T697-K701 PolarHBondContact O-N 2.92Å
698	C	94.3	Very high	87.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55	-49	176	-64.9	0	0	0	0	111.8	C646 Q694 N700 K701 F702	C646-C698 HydrophobicContact CB-CB 3.43Å; C646-C698 VanDerWaalsContact CB-CB 3.43Å; C646-C698 WeakPolarHBondContact CB-SG 3.45Å; C646-C698 WeakPolarHBondContact SG-CB 3.24Å; C646-C698 CovalentContact SG-SG 2.03Å; C646-C698 PolarHBondContact SG-SG 3.05Å; Q694-C698 PolarHBondContact O-N 3Å; Q694-C698 PolarHBondContact O-SG 3.31Å; C698-N700 VanDerWaalsContact C-N 3.32Å; C698-N700 PolarHBondContact O-N 3.35Å; C698-K701 PolarHBondContact O-N 3.14Å; C698-K701 VanDerWaalsContact O-N 3.14Å; C698-F702 HydrophobicContact CB-CD2 4.42Å; C698-F702 HydrophobicContact CB-CE2 3.81Å; C698-F702 HydrophobicContact CB-CZ 3.86Å; C698-F702 WeakPolarHBondContact O-CB 3.21Å; C698-F702 WeakPolarHBondContact O-CD1 3.45Å; C698-F702 WeakPolarHBondContact O-CD2 3.16Å; C698-F702 WeakPolarHBondContact O-CG 3.45Å; C698-F702 PolarHBondContact O-N 2.61Å
699	M	93.3	Very high	88.9	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57	-44	-178.4	-174.5	174.2	-74.2	0	0	112.7	H591 W600 Y602 M612 F653 R695 Q696 T697 A703 M709	H591-M699 HydrophobicContact CB-CE 3.74Å; H591-M699 HydrophobicContact CB-SD 3.62Å; W600-M699 HydrophobicContact CB-CG 4.04Å; W600-M699 HydrophobicContact CB-SD 3.96Å; Y602-M699 HydrophobicContact CD2-CE 3.88Å; Y602-M699 HydrophobicContact CG-CE 4.4Å; M612-M699 HydrophobicContact CE-CE 3.65Å; M612-M699 HydrophobicContact SD-CE 4.22Å; F653-M699 HydrophobicContact CE2-CG 4.18Å; F653-M699 HydrophobicContact CZ-CG 3.87Å; R695-M699 WeakPolarHBondContact O-CB 3.34Å; R695-M699 PolarHBondContact O-N 2.54Å; Q696-M699 PolarHBondContact O-N 2.83Å; T697-M699 VanDerWaalsContact C-N 3.35Å; T697-M699 PolarHBondContact O-N 2.6Å; M699-A703 VanDerWaalsContact O-CB 3.32Å; M699-A703 WeakPolarHBondContact O-CB 3.34Å; M699-A703 PolarHBondContact O-N 3.11Å; M699-M709 HydrophobicContact CG-CE 4.07Å; M699-M709 HydrophobicContact SD-CE 4.48Å
700	N	93.8	Very high	90.1	Very high	43 Å²	43	42.5 Å²	42.5	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-70.1	-38.9	178.2	-73.8	-74.5	0	0	0	112	R599 W600 Q696 T697 C698 A703 S704	R599-N700 WeakPolarHBondContact CB-OD1 3.4Å; W600-N700 PolarHBondContact N-OD1 3.36Å; W600-N700 PolarHBondContact O-ND2 3.12Å; Q696-N700 PolarHBondContact O-N 3.45Å; Q696-N700 PolarHBondContact O-ND2 3.24Å; T697-N700 PolarHBondContact O-N 3.17Å; C698-N700 VanDerWaalsContact C-N 3.32Å; C698-N700 PolarHBondContact O-N 3.35Å; N700-A703 PolarHBondContact O-N 3.26Å; N700-S704 WeakPolarHBondContact O-CB 3.26Å; N700-S704 PolarHBondContact O-N 3.02Å
701	K	93.9	Very high	90.9	Very high	107 Å²	107	37.8 Å²	37.8	47%	0.465	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-42.3	176.1	-169.8	69.4	175.1	178.1	0	111.7	L636 M639 T697 C698 S704 W705	L636-K701 HydrophobicContact CD2-CG 4.36Å; M639-K701 HydrophobicContact CE-CD 4.23Å; M639-K701 HydrophobicContact CE-CG 3.77Å; M639-K701 HydrophobicContact SD-CB 4.17Å; M639-K701 HydrophobicContact SD-CG 3.84Å; T697-K701 PolarHBondContact O-N 2.92Å; C698-K701 PolarHBondContact O-N 3.14Å; C698-K701 VanDerWaalsContact O-N 3.14Å; K701-S704 PolarHBondContact O-N 3.48Å; K701-W705 PolarHBondContact O-N 2.05Å
702	F	94.9	Very high	91.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-47.5	177.6	-57.9	-18.6	0	0	0	110.9	L636 V640 C646 I649 L650 F653 C698 S704 W705 F706	L636-F702 HydrophobicContact CD2-CD1 3.83Å; L636-F702 HydrophobicContact CD2-CE1 4.08Å; V640-F702 HydrophobicContact CG2-CE1 4.46Å; V640-F702 HydrophobicContact CG2-CZ 3.85Å; C646-F702 HydrophobicContact CB-CE2 4.08Å; C646-F702 HydrophobicContact CB-CZ 4.11Å; I649-F702 HydrophobicContact CB-CE2 4.26Å; I649-F702 HydrophobicContact CG2-CD2 3.92Å; I649-F702 HydrophobicContact CG2-CE2 4.05Å; L650-F702 HydrophobicContact CB-CD2 4.26Å; L650-F702 HydrophobicContact CB-CE2 3.67Å; L650-F702 HydrophobicContact CB-CZ 3.89Å; L650-F702 HydrophobicContact CD1-CD1 4.09Å; L650-F702 HydrophobicContact CD1-CD2 4.14Å; L650-F702 HydrophobicContact CD1-CE1 4.17Å; L650-F702 HydrophobicContact CD1-CE2 4.21Å; L650-F702 HydrophobicContact CD1-CG 4.09Å; L650-F702 HydrophobicContact CD1-CZ 4.23Å; L650-F702 HydrophobicContact CD2-CE1 4.47Å; L650-F702 HydrophobicContact CD2-CZ 4.32Å; L650-F702 HydrophobicContact CG-CE2 4.44Å; L650-F702 HydrophobicContact CG-CZ 4.37Å; F653-F702 HydrophobicContact CD1-CB 3.66Å; F653-F702 HydrophobicContact CE1-CB 3.67Å; F653-F702 HydrophobicContact CG-CB 4.21Å; F653-F702 HydrophobicContact CZ-CB 4.2Å; C698-F702 HydrophobicContact CB-CD2 4.42Å; C698-F702 HydrophobicContact CB-CE2 3.81Å; C698-F702 HydrophobicContact CB-CZ 3.86Å; C698-F702 WeakPolarHBondContact O-CB 3.21Å; C698-F702 WeakPolarHBondContact O-CD1 3.45Å; C698-F702 WeakPolarHBondContact O-CD2 3.16Å; C698-F702 WeakPolarHBondContact O-CG 3.45Å; C698-F702 PolarHBondContact O-N 2.61Å; F702-S704 VanDerWaalsContact C-N 3.25Å; F702-S704 PolarHBondContact O-N 3.01Å; F702-W705 PolarHBondContact O-N 2.76Å; F702-F706 VanDerWaalsContact O-CD2 3.31Å; F702-F706 WeakPolarHBondContact O-CD2 3.37Å; F702-F706 PolarHBondContact O-N 2.97Å
703	A	93.1	Very high	92	Very high	7 Å²	7	37.6 Å²	37.6	6%	0.058	21%	0.214	C	C	.	.	H	α-helix	trans	-58.5	-38.4	176.4	0	0	0	0	0	112.2	F653 M699 N700 G707 A708 M709	F653-A703 HydrophobicContact CE1-CB 4.12Å; M699-A703 VanDerWaalsContact O-CB 3.32Å; M699-A703 WeakPolarHBondContact O-CB 3.34Å; M699-A703 PolarHBondContact O-N 3.11Å; N700-A703 PolarHBondContact O-N 3.26Å; A703-G707 CarbonylContact O-C 3.55Å; A703-G707 PolarHBondContact O-N 3.48Å; A703-A708 PolarHBondContact O-N 2.77Å; A703-M709 HydrophobicContact CB-CE 3.98Å
704	S	91.3	Very high	92.3	Very high	84 Å²	84	35.8 Å²	35.8	59%	0.587	20%	0.198	S	C	*	.	H	α-helix	trans	-64.6	-39.6	174.5	174.6	0	0	0	0	112.6	N700 K701 F702 G707	N700-S704 WeakPolarHBondContact O-CB 3.26Å; N700-S704 PolarHBondContact O-N 3.02Å; K701-S704 PolarHBondContact O-N 3.48Å; F702-S704 VanDerWaalsContact C-N 3.25Å; F702-S704 PolarHBondContact O-N 3.01Å; S704-G707 PolarHBondContact O-N 2.77Å
705	W	90.6	Very high	92.3	Very high	70 Å²	70	39.6 Å²	39.6	27%	0.265	22%	0.216	S	C	.	.	H	α-helix	trans	-71.2	-45.1	178.3	-178.7	77.2	0	0	0	112.7	Y631 L632 P633 L636 K701 F702 G707	Y631-W705 HydrophobicContact CE1-CH2 4.03Å; L632-W705 HydrophobicContact CD2-CH2 4.17Å; L632-W705 HydrophobicContact CD2-CZ3 3.9Å; P633-W705 HydrophobicContact CG-CD2 4.3Å; P633-W705 HydrophobicContact CG-CH2 4.47Å; P633-W705 HydrophobicContact CG-CZ2 3.72Å; L636-W705 HydrophobicContact CD1-CB 4.08Å; L636-W705 HydrophobicContact CD1-CD2 3.57Å; L636-W705 HydrophobicContact CD1-CE3 3.63Å; L636-W705 HydrophobicContact CD1-CG 3.75Å; L636-W705 HydrophobicContact CD1-CZ3 4.33Å; L636-W705 HydrophobicContact CD2-CB 4.47Å; L636-W705 HydrophobicContact CG-CG 4.41Å; K701-W705 PolarHBondContact O-N 2.05Å; F702-W705 PolarHBondContact O-N 2.76Å; W705-G707 PolarHBondContact O-N 3.24Å
706	F	89.5	Confident	92.2	Very high	30 Å²	30	43.1 Å²	43.1	13%	0.132	24%	0.238	C	C	.	.	H	α-helix	trans	-68.2	-10.7	173.6	-77.2	-81.3	0	0	0	112.8	L632 L650 F653 A657 F702 A708 P710	L632-F706 HydrophobicContact CD2-CZ 4.15Å; L650-F706 HydrophobicContact CD1-CE2 4.5Å; F653-F706 HydrophobicContact CB-CD2 4.41Å; F653-F706 HydrophobicContact CB-CE2 3.8Å; F653-F706 HydrophobicContact CB-CZ 4.31Å; F653-F706 AromaticContact CD1-CD2 3.78Å; F653-F706 HydrophobicContact CD1-CD2 3.78Å; F653-F706 HydrophobicContact CD1-CE2 4.01Å; F653-F706 HydrophobicContact CG-CE2 4.4Å; A657-F706 HydrophobicContact CB-CD1 3.86Å; A657-F706 HydrophobicContact CB-CE1 3.53Å; A657-F706 HydrophobicContact CB-CZ 4.34Å; F702-F706 VanDerWaalsContact O-CD2 3.31Å; F702-F706 WeakPolarHBondContact O-CD2 3.37Å; F702-F706 PolarHBondContact O-N 2.97Å; F706-A708 PolarHBondContact O-N 3.02Å; F706-A708 VanDerWaalsContact O-N 3.14Å; F706-P710 HydrophobicContact CG-CG 4.48Å
707	G	87.8	Confident	92.1	Very high	26 Å²	26	43.1 Å²	43.1	27%	0.268	24%	0.243	S	C	.	.	S	Bend	trans	73.1	-8.3	-178.4	0	0	0	0	0	115	A703 S704 W705	A703-G707 CarbonylContact O-C 3.55Å; A703-G707 PolarHBondContact O-N 3.48Å; S704-G707 PolarHBondContact O-N 2.77Å; W705-G707 PolarHBondContact O-N 3.24Å
708	A	89.4	Confident	92	Very high	44 Å²	44	41.6 Å²	41.6	36%	0.364	23%	0.231	S	C	.	.	S	Bend	trans	-152.9	170.6	175.5	0	0	0	0	0	109.8	A703 F706 P710	A703-A708 PolarHBondContact O-N 2.77Å; F706-A708 PolarHBondContact O-N 3.02Å; F706-A708 VanDerWaalsContact O-N 3.14Å; A708-P710 WeakPolarHBondContact O-CD 3.49Å
709	M	92.9	Very high	91.6	Very high	17 Å²	17	50.1 Å²	50.1	8%	0.084	26%	0.263	C	S	.	.			trans	-78.7	110.9	169.9	-178.5	53.5	70.3	0	0	110.1	R242 H591 W600 F653 M699 A703 L711	R242-M709 PolarHBondContact NH2-O 3.17Å; R242-M709 VanDerWaalsContact NH2-O 3.08Å; H591-M709 VanDerWaalsContact NE2-CG 3.33Å; H591-M709 WeakPolarHBondContact NE2-CG 3.5Å; W600-M709 HydrophobicContact CB-CE 3.8Å; W600-M709 HydrophobicContact CD2-CB 4.5Å; W600-M709 HydrophobicContact CD2-CE 3.32Å; W600-M709 HydrophobicContact CD2-CG 4.45Å; W600-M709 HydrophobicContact CE3-CE 3.87Å; W600-M709 HydrophobicContact CG-CE 3.25Å; W600-M709 HydrophobicContact CH2-CB 4.1Å; W600-M709 HydrophobicContact CH2-CG 4.27Å; W600-M709 HydrophobicContact CZ2-CB 3.63Å; W600-M709 HydrophobicContact CZ2-CG 4.2Å; W600-M709 HydrophobicContact CZ3-CG 4.42Å; F653-M709 HydrophobicContact CE1-CE 4.38Å; F653-M709 HydrophobicContact CE1-SD 3.95Å; F653-M709 HydrophobicContact CE2-SD 4.32Å; F653-M709 HydrophobicContact CZ-CE 3.84Å; F653-M709 HydrophobicContact CZ-SD 3.58Å; F653-M709 VanDerWaalsContact CZ-SD 3.58Å; M699-M709 HydrophobicContact CG-CE 4.07Å; M699-M709 HydrophobicContact SD-CE 4.48Å; A703-M709 HydrophobicContact CB-CE 3.98Å; M709-L711 HydrophobicContact CG-CB 4.36Å; M709-L711 HydrophobicContact SD-CB 3.87Å; M709-L711 HydrophobicContact SD-CD1 3.97Å; M709-L711 HydrophobicContact SD-CG 3.83Å
710	P	93.4	Very high	90.8	Very high	10 Å²	10	52.5 Å²	52.5	7%	0.065	28%	0.278	C	S	.	.			trans	-82.4	-22.1	-179.4	33.8	-34.7	0	0	0	112.7	F653 S656 A657 F706 A708 V712	F653-P710 HydrophobicContact CB-CG 4.1Å; F653-P710 HydrophobicContact CD1-CG 3.31Å; F653-P710 VanDerWaalsContact CE1-CD 3.5Å; F653-P710 HydrophobicContact CE1-CG 3.86Å; F653-P710 HydrophobicContact CG-CG 3.8Å; S656-P710 WeakPolarHBondContact CB-O 3.36Å; A657-P710 HydrophobicContact CB-CB 3.83Å; F706-P710 HydrophobicContact CG-CG 4.48Å; A708-P710 WeakPolarHBondContact O-CD 3.49Å; P710-V712 PolarHBondContact O-N 3.15Å
711	L	95.1	Very high	89.3	Confident	6 Å²	6	59.7 Å²	59.7	3%	0.031	31%	0.31	C	S	.	.			trans	-61	137.3	-176.7	-63.2	-178.9	0	0	0	111.1	H591 M612 N652 F653 M709	H591-L711 HydrophobicContact CB-CD1 4.18Å; M612-L711 HydrophobicContact CE-CD1 4.06Å; M612-L711 HydrophobicContact CG-CD1 3.7Å; M612-L711 HydrophobicContact CG-CD2 3.86Å; M612-L711 HydrophobicContact CG-CG 4.42Å; M612-L711 HydrophobicContact SD-CD1 3.63Å; N652-L711 HydrophobicContact CB-CD2 4.03Å; F653-L711 HydrophobicContact CD2-CD1 3.97Å; F653-L711 HydrophobicContact CD2-CD2 3.79Å; F653-L711 HydrophobicContact CD2-CG 3.84Å; F653-L711 HydrophobicContact CE2-CD1 3.46Å; F653-L711 VanDerWaalsContact CE2-CD1 3.46Å; F653-L711 HydrophobicContact CE2-CD2 4.15Å; F653-L711 HydrophobicContact CE2-CG 3.71Å; F653-L711 HydrophobicContact CG-CD2 4.43Å; F653-L711 HydrophobicContact CZ-CD1 4.14Å; F653-L711 HydrophobicContact CZ-CG 4.26Å; M709-L711 HydrophobicContact CG-CB 4.36Å; M709-L711 HydrophobicContact SD-CB 3.87Å; M709-L711 HydrophobicContact SD-CD1 3.97Å; M709-L711 HydrophobicContact SD-CG 3.83Å
712	V	93.5	Very high	87.2	Confident	13 Å²	13	66.5 Å²	66.5	8%	0.079	33%	0.333	C	S	.	.			trans	-116.3	135.6	179	-175.2	0	0	0	0	108.7	S611 P662 P710	S611-V712 WeakPolarHBondContact CA-O 3.26Å; P662-V712 HydrophobicContact CB-CB 4.08Å; P662-V712 HydrophobicContact CB-CG1 4.16Å; P662-V712 WeakPolarHBondContact CB-O 3.49Å; P662-V712 HydrophobicContact CG-CG1 4.28Å; P710-V712 PolarHBondContact O-N 3.15Å
713	H	93.2	Very high	84.6	Confident	78 Å²	78	70 Å²	70	36%	0.361	37%	0.369	S	S	.	.			trans	-76.9	148.7	177.9	-78.5	-94.1	0	0	0	111.9	S590 H591 D609 Y610	S590-H713 PolarHBondContact OG-CE1 3.15Å; S590-H713 VanDerWaalsContact OG-CE1 3.29Å; H591-H713 AromaticContact CE1-CD2 3.47Å; H591-H713 PolarHBondContact CE1-CD2 2.82Å; H591-H713 VanDerWaalsContact CE1-CD2 3.47Å; H591-H713 AromaticContact CE1-CE1 3.97Å; H591-H713 AromaticContact CE1-NE2 3.08Å; H591-H713 PolarHBondContact CE1-NE2 3.03Å; H591-H713 AromaticContact ND1-CE1 3.98Å; H591-H713 AromaticContact ND1-NE2 3.48Å; H591-H713 PolarHBondContact ND1-NE2 2.97Å; H591-H713 AromaticContact NE2-NE2 3.64Å; H591-H713 PolarHBondContact O-CE1 2.76Å; D609-H713 VanDerWaalsContact CG-ND1 3.27Å; D609-H713 WeakPolarHBondContact OD1-CB 3.49Å; D609-H713 IonicContact OD1-CG 2.7Å; D609-H713 IonicContact OD1-ND1 2.65Å; D609-H713 PolarHBondContact OD1-ND1 2.87Å; D609-H713 IonicContact OD2-CE1 3.46Å; D609-H713 PolarHBondContact OD2-CE1 3.12Å; D609-H713 IonicContact OD2-CG 3.03Å; D609-H713 IonicContact OD2-ND1 3.75Å; D609-H713 PolarHBondContact OD2-ND1 2.91Å; Y610-H713 CarbonylContact O-C 3.6Å; Y610-H713 WeakPolarHBondContact O-CA 3.35Å
714	S	92.9	Very high	81.7	Confident	14 Å²	14	75.1 Å²	75.1	10%	0.098	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-148.7	152.4	174.4	174.8	0	0	0	0	110.5	Y610 V716	Y610-S714 WeakPolarHBondContact CD1-O 3.49Å; Y610-S714 VanDerWaalsContact CE1-O 3.29Å; Y610-S714 WeakPolarHBondContact CE1-O 3.19Å; Y610-S714 PolarHBondContact N-O 3.23Å; Y610-S714 PolarHBondContact O-N 3.1Å; Y610-S714 PolarHBondContact OH-OG 3.13Å; S714-V716 PolarHBondContact OG-N 3.22Å; S714-V716 VanDerWaalsContact OG-N 3.12Å
715	Q	91.6	Very high	78.8	Confident	145 Å²	145	74.8 Å²	74.8	68%	0.678	41%	0.407	S	S	*	.			trans	-117.4	0.5	172.3	-62.9	179.2	-10.7	0	0	112.2	N608 D609 S717	N608-Q715 WeakPolarHBondContact O-CA 3.45Å; D609-Q715 HydrophobicContact CB-CG 4.32Å; Q715-S717 PolarHBondContact O-N 2.95Å
716	V	89	Confident	76.1	Confident	77 Å²	77	77.8 Å²	77.8	47%	0.467	44%	0.436	S	S	.	.			trans	-67.7	127.8	-177.1	177.6	0	0	0	0	109.3	Y610 S714	Y610-V716 WeakPolarHBondContact CE1-O 3.27Å; Y610-V716 VanDerWaalsContact CZ-O 3.28Å; Y610-V716 PolarHBondContact OH-O 3.03Å; S714-V716 PolarHBondContact OG-N 3.22Å; S714-V716 VanDerWaalsContact OG-N 3.12Å
717	S	87.6	Confident	73.2	Confident	44 Å²	44	87.9 Å²	87.9	31%	0.308	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	126.5	173.8	-171.9	0	0	0	0	110.8	K665 T667 Q715	K665-S717 VanDerWaalsContact O-CA 3.32Å; K665-S717 WeakPolarHBondContact O-CA 3.39Å; T667-S717 WeakPolarHBondContact CG2-OG 3.42Å; Q715-S717 PolarHBondContact O-N 2.95Å
718	L	90.3	Very high	70.5	Confident	58 Å²	58	91.8 Å²	91.8	30%	0.304	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	142.2	-177.5	-60.9	176.8	0	0	0	110.7	F571 V575 F579 I664 K665 I666 T667	F571-L718 HydrophobicContact CE1-CB 4.46Å; F571-L718 HydrophobicContact CZ-CB 4.23Å; V575-L718 HydrophobicContact CG1-CD1 3.55Å; V575-L718 HydrophobicContact CG2-CD1 4.12Å; F579-L718 HydrophobicContact CE2-CD1 4.29Å; I664-L718 HydrophobicContact CG2-CD1 3.89Å; I664-L718 HydrophobicContact CG2-CG 4.37Å; K665-L718 PolarHBondContact O-N 3.35Å; I666-L718 WeakPolarHBondContact CA-O 3.46Å; T667-L718 PolarHBondContact N-O 2.92Å
719	R	85.7	Confident	68	Low	180 Å²	180	94.8 Å²	94.8	68%	0.679	52%	0.521	S	S	*	.			trans	-130.7	146.1	-178.7	-45.1	-157.7	174.2	168.2	-4.5	110.2	F571 T667 Q721	F571-R719 WeakPolarHBondContact CZ-O 3.36Å; T667-R719 HydrophobicContact CG2-CG 3.81Å; T667-R719 WeakPolarHBondContact OG1-CB 3.39Å; T667-R719 WeakPolarHBondContact OG1-CD 3.33Å; T667-R719 WeakPolarHBondContact OG1-CG 3.48Å; R719-Q721 PolarHBondContact O-N 3.23Å
720	P	77.2	Confident	65.1	Low	50 Å²	50	98.1 Å²	98.1	33%	0.325	55%	0.551	S	S	.	*			trans	-60.3	133.4	169.6	-15.7	26.8	0	0	0	109.9	F571 R722	F571-P720 HydrophobicContact CB-CG 4.33Å; F571-P720 HydrophobicContact CD1-CG 3.77Å; F571-P720 HydrophobicContact CD2-CB 4.14Å; F571-P720 HydrophobicContact CD2-CG 4.23Å; F571-P720 HydrophobicContact CE1-CG 4.12Å; F571-P720 HydrophobicContact CE2-CB 4.41Å; F571-P720 HydrophobicContact CG-CB 4.21Å; F571-P720 HydrophobicContact CG-CG 3.83Å; F571-P720 HydrophobicContact CZ-CG 4.5Å; P720-R722 PolarHBondContact O-N 3.21Å
721	Q	63.3	Low	62	Low	193 Å²	193	105.6 Å²	105.6	90%	0.902	59%	0.59	S	S	*	*			trans	-60.1	130.1	167.7	-96.7	179.9	-11.4	0	0	108.6	R719 G723	R719-Q721 PolarHBondContact O-N 3.23Å; Q721-G723 PolarHBondContact O-N 3.02Å
722	R	48.9	Very low	58.9	Low	250 Å²	250	108.6 Å²	108.6	94%	0.943	62%	0.623	S	S	*	*			trans	-64.8	109.5	167.7	-80.8	-179	176.2	176.7	-2.6	106.9	P720 S724	P720-R722 PolarHBondContact O-N 3.21Å; R722-S724 PolarHBondContact O-N 3.13Å
723	G	41.2	Very low	55.8	Low	73 Å²	73	116.4 Å²	116.4	75%	0.753	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-57.6	120.7	173.3	0	0	0	0	0	110.6	Q721 A725	Q721-G723 PolarHBondContact O-N 3.02Å; G723-A725 PolarHBondContact O-N 3.16Å
724	S	31.1	Very low	52.7	Low	115 Å²	115	121 Å²	121	80%	0.804	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-56.7	121.3	147.8	47.8	0	0	0	0	107.5	R722	R722-S724 PolarHBondContact O-N 3.13Å
725	A	30	Very low	49.7	Very low	78 Å²	78	123.9 Å²	123.9	65%	0.645	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-53.7	148.6	168	0	0	0	0	0	110	G723 R727	G723-A725 PolarHBondContact O-N 3.16Å; A725-R727 PolarHBondContact O-N 2.94Å
726	P	33.9	Very low	46.6	Very low	133 Å²	133	123.2 Å²	123.2	86%	0.864	72%	0.717	S	S	*	*			trans	-66.6	104.1	173	28.3	-31.2	0	0	0	107.9	S728	P726-S728 PolarHBondContact O-N 3Å
727	R	29.3	Very low	43.8	Very low	242 Å²	242	126.8 Å²	126.8	91%	0.913	73%	0.733	S	S	*	*			trans	-73.4	118.5	167	-86.7	-176.4	170.5	178.3	-3.5	107.5	A725	A725-R727 PolarHBondContact O-N 2.94Å
728	S	31.1	Very low	41	Very low	108 Å²	108	132.3 Å²	132.3	76%	0.755	76%	0.759	S	S	*	*			trans	-45.4	134.7	165.3	49.6	0	0	0	0	110.8	P726 A730	P726-S728 PolarHBondContact O-N 3Å; S728-A730 PolarHBondContact O-N 3.29Å
729	A	36.8	Very low	38.3	Very low	106 Å²	106	135.5 Å²	135.5	88%	0.876	78%	0.782	S	S	*	*			trans	-62.5	113.2	167.6	0	0	0	0	0	110.1
730	A	31.3	Very low	36	Very low	87 Å²	87	133.8 Å²	133.8	72%	0.719	79%	0.787	S	S	*	*			trans	-171	134.5	151.9	0	0	0	0	0	109.3	S728	S728-A730 PolarHBondContact O-N 3.29Å
731	D	29.1	Very low	34.3	Very low	167 Å²	167	140.5 Å²	140.5	89%	0.893	81%	0.814	S	S	*	*			trans	66.7	104.8	168.2	-72.6	-16.9	0	0	0	120.6
732	G	29	Very low	33.4	Very low	69 Å²	69	137 Å²	137	71%	0.711	81%	0.806	S	S	*	*				71.5	98.8	91.7	0	0	0	0	0	118.5
733	Q	29.2	Very low	33	Very low	177 Å²	177	129 Å²	129	83%	0.827	79%	0.786	S	S	*	*			trans	75.6	127.2	145.6	-89.1	160.6	-20.3	0	0	122.1
734	H	28.9	Very low	33.2	Very low	176 Å²	176	131.8 Å²	131.8	82%	0.815	78%	0.779	S	S	*	*			trans	79.4	101.4	152.4	-66.5	-45.9	0	0	0	120.8
735	G	29.5	Very low	33.7	Very low	73 Å²	73	132.5 Å²	132.5	75%	0.753	77%	0.774	S	S	*	*				83	119.3	116.7	0	0	0	0	0	118.1
736	V	26.3	Very low	34.9	Very low	131 Å²	131	132.9 Å²	132.9	79%	0.794	77%	0.768	S	S	*	*				168	115.3	125	161.8	0	0	0	0	109.7
737	D	29.6	Very low	36.3	Very low	153 Å²	153	131.3 Å²	131.3	82%	0.818	75%	0.749	S	S	*	*			trans	42.2	113.1	140.6	-51.5	-28.6	0	0	0	122
738	L	29	Very low	38.1	Very low	160 Å²	160	123.2 Å²	123.2	84%	0.838	72%	0.723	S	S	*	*			trans	-98.9	148.2	156.6	-87.1	152.1	0	0	0	109.2
739	P	33.6	Very low	39.6	Very low	124 Å²	124	123 Å²	123	81%	0.805	71%	0.713	S	S	*	*			trans	-74	128.7	178.5	15	-5.5	0	0	0	111.7	E741	P739-E741 PolarHBondContact O-N 2.84Å
740	D	38.5	Very low	41.1	Very low	144 Å²	144	122.9 Å²	122.9	77%	0.77	70%	0.697	S	S	*	*			trans	-65.5	109	172.8	-78.6	-46.9	0	0	0	111.8
741	E	40.7	Very low	43	Very low	191 Å²	191	123.6 Å²	123.6	89%	0.893	69%	0.686	S	S	*	*			trans	-160.8	36.7	157.6	-121.9	178.3	-156.1	0	0	114	P739	P739-E741 PolarHBondContact O-N 2.84Å
742	V	43.7	Very low	45.2	Very low	121 Å²	121	120.6 Å²	120.6	73%	0.733	67%	0.669	S	S	*	*	S	Bend	trans	-127.8	-9.6	175	-171	0	0	0	0	115.7	Q744	V742-Q744 PolarHBondContact O-N 3.1Å
743	P	41.3	Very low	47.2	Very low	81 Å²	81	122.5 Å²	122.5	53%	0.526	66%	0.663	S	S	.	*	H	α-helix	trans	-75.1	-23.7	179.5	-15	29.1	0	0	0	115.7	H747	P743-H747 WeakPolarHBondContact O-CB 3.31Å; P743-H747 PolarHBondContact O-N 3.18Å; P743-H747 VanDerWaalsContact O-N 3.17Å
744	Q	44.3	Very low	49.6	Very low	132 Å²	132	117.7 Å²	117.7	62%	0.617	65%	0.645	S	S	*	*	H	α-helix	trans	-71.7	-42.2	-167.5	-148	71.4	22.4	0	0	112.9	V742 V746 H747 D748	V742-Q744 PolarHBondContact O-N 3.1Å; Q744-V746 VanDerWaalsContact C-N 3.31Å; Q744-V746 PolarHBondContact O-N 2.93Å; Q744-H747 PolarHBondContact O-N 3.11Å; Q744-D748 WeakPolarHBondContact O-CB 3.43Å; Q744-D748 PolarHBondContact O-N 3.12Å
745	L	42.8	Very low	52.1	Low	130 Å²	130	113.9 Å²	113.9	68%	0.681	63%	0.63	S	S	*	*	H	α-helix	trans	-67.4	-34	-176.5	-141.4	94.4	0	0	0	112.5	L749	L745-L749 WeakPolarHBondContact O-CB 2.99Å; L745-L749 WeakPolarHBondContact O-CD1 3.36Å; L745-L749 WeakPolarHBondContact O-CG 3.3Å; L745-L749 PolarHBondContact O-N 2.97Å; L745-L749 VanDerWaalsContact O-N 3.13Å
746	V	54.4	Low	54.3	Low	86 Å²	86	115.4 Å²	115.4	52%	0.521	62%	0.62	S	S	.	*	H	α-helix	trans	-75.3	-36.2	178	179.4	0	0	0	0	110.3	Q744 L750	Q744-V746 VanDerWaalsContact C-N 3.31Å; Q744-V746 PolarHBondContact O-N 2.93Å; V746-L750 HydrophobicContact CG1-CD1 4.15Å; V746-L750 WeakPolarHBondContact O-CB 3.3Å; V746-L750 PolarHBondContact O-N 3.19Å; V746-L750 VanDerWaalsContact O-N 3.09Å
747	H	64.4	Low	56.6	Low	100 Å²	100	114 Å²	114	46%	0.463	61%	0.608	S	S	.	*	H	α-helix	trans	-66.7	-42.7	174.2	-166	72.9	0	0	0	112.2	P743 Q744 L750 Q751	P743-H747 WeakPolarHBondContact O-CB 3.31Å; P743-H747 PolarHBondContact O-N 3.18Å; P743-H747 VanDerWaalsContact O-N 3.17Å; Q744-H747 PolarHBondContact O-N 3.11Å; H747-L750 PolarHBondContact O-N 3.07Å; H747-Q751 PolarHBondContact NE2-NE2 2.5Å; H747-Q751 VanDerWaalsContact NE2-NE2 3.13Å; H747-Q751 PolarHBondContact O-N 2.84Å
748	D	66.8	Low	59	Low	71 Å²	71	111.7 Å²	111.7	38%	0.38	59%	0.592	S	S	.	*	H	α-helix	trans	-67.1	-38.7	179.3	-67.2	-17.4	0	0	0	111.7	Q744 Q751 L752	Q744-D748 WeakPolarHBondContact O-CB 3.43Å; Q744-D748 PolarHBondContact O-N 3.12Å; D748-Q751 PolarHBondContact O-N 3.32Å; D748-L752 PolarHBondContact O-N 2.95Å
749	L	63.3	Low	61.4	Low	104 Å²	104	108.9 Å²	108.9	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-65.6	-38	173.8	-84.3	164.1	0	0	0	112.5	L745 L753	L745-L749 WeakPolarHBondContact O-CB 2.99Å; L745-L749 WeakPolarHBondContact O-CD1 3.36Å; L745-L749 WeakPolarHBondContact O-CG 3.3Å; L745-L749 PolarHBondContact O-N 2.97Å; L745-L749 VanDerWaalsContact O-N 3.13Å; L749-L753 PolarHBondContact O-N 3.37Å; L749-L753 VanDerWaalsContact O-N 3.13Å
750	L	66.7	Low	63.4	Low	103 Å²	103	107.7 Å²	107.7	54%	0.539	56%	0.564	S	S	.	*	H	α-helix	trans	-68.8	-39	175.3	-92.8	153.9	0	0	0	111.9	V746 H747 L753 V754	V746-L750 HydrophobicContact CG1-CD1 4.15Å; V746-L750 WeakPolarHBondContact O-CB 3.3Å; V746-L750 PolarHBondContact O-N 3.19Å; V746-L750 VanDerWaalsContact O-N 3.09Å; H747-L750 PolarHBondContact O-N 3.07Å; L750-L753 PolarHBondContact O-N 3.25Å; L750-V754 WeakPolarHBondContact O-CG2 3.36Å; L750-V754 PolarHBondContact O-N 3.29Å
751	Q	71.7	Confident	65.2	Low	102 Å²	102	106.9 Å²	106.9	48%	0.477	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-40.4	174.7	-79.8	-171.4	-4.4	0	0	112.4	H747 D748 L753 V754 L755	H747-Q751 PolarHBondContact NE2-NE2 2.5Å; H747-Q751 VanDerWaalsContact NE2-NE2 3.13Å; H747-Q751 PolarHBondContact O-N 2.84Å; D748-Q751 PolarHBondContact O-N 3.32Å; Q751-L753 VanDerWaalsContact C-N 3.32Å; Q751-L753 PolarHBondContact O-N 3.2Å; Q751-V754 PolarHBondContact O-N 3.36Å; Q751-L755 PolarHBondContact O-N 2.89Å
752	L	76.1	Confident	67.1	Low	104 Å²	104	103.9 Å²	103.9	55%	0.545	54%	0.542	S	S	.	.	H	α-helix	trans	-61.6	-39.7	174.5	-95.2	154.8	0	0	0	112.4	D748 L755 L756	D748-L752 PolarHBondContact O-N 2.95Å; L752-L755 PolarHBondContact O-N 3.13Å; L752-L756 WeakPolarHBondContact O-CB 3.33Å; L752-L756 PolarHBondContact O-N 2.87Å
753	L	70	Confident	68.5	Low	110 Å²	110	104.3 Å²	104.3	58%	0.576	54%	0.537	S	S	*	.	H	α-helix	trans	-67	-38	177.1	-117.3	143	0	0	0	112.4	L749 L750 Q751 L757	L749-L753 PolarHBondContact O-N 3.37Å; L749-L753 VanDerWaalsContact O-N 3.13Å; L750-L753 PolarHBondContact O-N 3.25Å; Q751-L753 VanDerWaalsContact C-N 3.32Å; Q751-L753 PolarHBondContact O-N 3.2Å; L753-L757 HydrophobicContact CD2-CD1 4.5Å; L753-L757 WeakPolarHBondContact O-CG 3.21Å; L753-L757 PolarHBondContact O-N 2.95Å; L753-L757 VanDerWaalsContact O-N 3.09Å
754	V	81	Confident	70	Confident	75 Å²	75	106.3 Å²	106.3	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-67.8	-41.5	175.6	172.6	0	0	0	0	111.4	L750 Q751 L757 Q758	L750-V754 WeakPolarHBondContact O-CG2 3.36Å; L750-V754 PolarHBondContact O-N 3.29Å; Q751-V754 PolarHBondContact O-N 3.36Å; V754-L757 PolarHBondContact O-N 3.39Å; V754-Q758 WeakPolarHBondContact O-CG 3.44Å; V754-Q758 PolarHBondContact O-N 3.36Å
755	L	80	Confident	71.6	Confident	97 Å²	97	108.6 Å²	108.6	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-63.4	-40.4	175.6	-86.4	157.6	0	0	0	112.4	Q751 L752 Q758 L759	Q751-L755 PolarHBondContact O-N 2.89Å; L752-L755 PolarHBondContact O-N 3.13Å; L755-Q758 PolarHBondContact O-N 2.82Å; L755-L759 PolarHBondContact O-N 3.09Å
756	L	76.3	Confident	73	Confident	104 Å²	104	108.7 Å²	108.7	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-64.1	-39.7	175.3	-108.6	145.6	0	0	0	112.4	L752 L760	L752-L756 WeakPolarHBondContact O-CB 3.33Å; L752-L756 PolarHBondContact O-N 2.87Å; L756-L760 PolarHBondContact O-N 3.25Å
757	L	75.6	Confident	73.8	Confident	101 Å²	101	111.3 Å²	111.3	53%	0.529	55%	0.545	S	S	.	.	H	α-helix	trans	-68	-36.5	175.6	-79.3	162.3	0	0	0	112.4	L753 V754 L760 Q761	L753-L757 HydrophobicContact CD2-CD1 4.5Å; L753-L757 WeakPolarHBondContact O-CG 3.21Å; L753-L757 PolarHBondContact O-N 2.95Å; L753-L757 VanDerWaalsContact O-N 3.09Å; V754-L757 PolarHBondContact O-N 3.39Å; L757-L760 PolarHBondContact O-N 3.13Å; L757-Q761 PolarHBondContact O-N 2.88Å; L757-Q761 VanDerWaalsContact O-N 3.07Å
758	Q	79.8	Confident	74.2	Confident	105 Å²	105	113.8 Å²	113.8	49%	0.491	56%	0.555	S	S	.	*	H	α-helix	trans	-67.2	-42.9	174.8	-77.1	176.8	-24.4	0	0	112.1	V754 L755 L760 Q761 E762	V754-Q758 WeakPolarHBondContact O-CG 3.44Å; V754-Q758 PolarHBondContact O-N 3.36Å; L755-Q758 PolarHBondContact O-N 2.82Å; Q758-L760 VanDerWaalsContact C-N 3.34Å; Q758-L760 PolarHBondContact O-N 3.21Å; Q758-Q761 PolarHBondContact O-N 3.13Å; Q758-E762 PolarHBondContact O-N 2.85Å
759	L	79.3	Confident	74.4	Confident	102 Å²	102	116.5 Å²	116.5	53%	0.534	57%	0.565	S	S	.	*	H	α-helix	trans	-60.9	-41.6	174.5	-93.9	155.9	0	0	0	112.2	L755 Q761 E762 M763	L755-L759 PolarHBondContact O-N 3.09Å; L759-Q761 VanDerWaalsContact C-N 3.34Å; L759-Q761 PolarHBondContact O-N 2.96Å; L759-E762 PolarHBondContact O-N 3.19Å; L759-M763 WeakPolarHBondContact O-CG 3.27Å; L759-M763 PolarHBondContact O-N 3.38Å
760	L	74.1	Confident	74.5	Confident	99 Å²	99	114.8 Å²	114.8	52%	0.518	56%	0.559	S	S	.	*	H	α-helix	trans	-64.2	-37.5	175.1	-82.1	161.4	0	0	0	112.4	L756 L757 Q758 Q764	L756-L760 PolarHBondContact O-N 3.25Å; L757-L760 PolarHBondContact O-N 3.13Å; Q758-L760 VanDerWaalsContact C-N 3.34Å; Q758-L760 PolarHBondContact O-N 3.21Å; L760-Q764 PolarHBondContact O-N 3.43Å; L760-Q764 VanDerWaalsContact O-N 3.1Å
761	Q	78.1	Confident	74.2	Confident	127 Å²	127	118 Å²	118	59%	0.593	57%	0.565	S	S	*	*	H	α-helix	trans	-69.6	-36.7	175	-82.3	-174.6	-24.8	0	0	113	L757 Q758 L759 Q764 R765	L757-Q761 PolarHBondContact O-N 2.88Å; L757-Q761 VanDerWaalsContact O-N 3.07Å; Q758-Q761 PolarHBondContact O-N 3.13Å; L759-Q761 VanDerWaalsContact C-N 3.34Å; L759-Q761 PolarHBondContact O-N 2.96Å; Q761-Q764 PolarHBondContact O-N 2.67Å; Q761-R765 PolarHBondContact O-N 3.29Å
762	E	78.7	Confident	73.8	Confident	128 Å²	128	120.6 Å²	120.6	60%	0.598	58%	0.575	S	S	*	*	H	α-helix	trans	-67.8	-41.4	174.2	-89	-176.6	157.4	0	0	112.2	Q758 L759 Q764 R765 H766	Q758-E762 PolarHBondContact O-N 2.85Å; L759-E762 PolarHBondContact O-N 3.19Å; E762-Q764 VanDerWaalsContact C-N 3.33Å; E762-Q764 PolarHBondContact O-N 3.4Å; E762-R765 PolarHBondContact O-N 2.72Å; E762-R765 VanDerWaalsContact O-N 3.15Å; E762-H766 WeakPolarHBondContact O-CB 3.47Å; E762-H766 PolarHBondContact O-N 3.32Å
763	M	75	Confident	72.9	Confident	130 Å²	130	121.2 Å²	121.2	64%	0.64	58%	0.578	S	S	*	*	H	α-helix	trans	-60.1	-42.9	173.9	-75	-173.8	63	0	0	111.8	L759 R765 H766 E767	L759-M763 WeakPolarHBondContact O-CG 3.27Å; L759-M763 PolarHBondContact O-N 3.38Å; M763-R765 VanDerWaalsContact C-N 3.34Å; M763-R765 PolarHBondContact O-N 2.98Å; M763-H766 PolarHBondContact O-N 3.45Å; M763-E767 WeakPolarHBondContact O-CB 3.41Å; M763-E767 PolarHBondContact O-N 2.99Å
764	Q	72.7	Confident	72.3	Confident	122 Å²	122	120 Å²	120	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-67.8	-30.4	175.7	-77.3	-166.8	-23.4	0	0	113.6	L760 Q761 E762 K768	L760-Q764 PolarHBondContact O-N 3.43Å; L760-Q764 VanDerWaalsContact O-N 3.1Å; Q761-Q764 PolarHBondContact O-N 2.67Å; E762-Q764 VanDerWaalsContact C-N 3.33Å; E762-Q764 PolarHBondContact O-N 3.4Å; Q764-K768 WeakPolarHBondContact O-CG 3.38Å; Q764-K768 PolarHBondContact O-N 3.24Å
765	R	76.1	Confident	71	Confident	181 Å²	181	122.3 Å²	122.3	68%	0.683	59%	0.585	S	S	*	*	H	α-helix	trans	-68.9	-45	171.5	-84.2	-174.2	-167.8	174.1	6.2	111.4	Q761 E762 M763 E767 K768 E769	Q761-R765 PolarHBondContact O-N 3.29Å; E762-R765 PolarHBondContact O-N 2.72Å; E762-R765 VanDerWaalsContact O-N 3.15Å; M763-R765 VanDerWaalsContact C-N 3.34Å; M763-R765 PolarHBondContact O-N 2.98Å; R765-E767 VanDerWaalsContact C-N 3.3Å; R765-E767 PolarHBondContact O-N 3.5Å; R765-K768 PolarHBondContact O-N 3.08Å; R765-E769 PolarHBondContact O-N 3.05Å
766	H	74	Confident	69.7	Low	132 Å²	132	125.8 Å²	125.8	61%	0.611	60%	0.598	S	S	*	*	H	α-helix	trans	-63.1	-39.6	179.7	-155.8	-71.7	0	0	0	111	E762 M763 E769 T770	E762-H766 WeakPolarHBondContact O-CB 3.47Å; E762-H766 PolarHBondContact O-N 3.32Å; M763-H766 PolarHBondContact O-N 3.45Å; H766-E769 PolarHBondContact O-N 3.49Å; H766-T770 WeakPolarHBondContact O-CB 3.48Å; H766-T770 PolarHBondContact O-N 3.49Å; H766-T770 PolarHBondContact O-OG1 3.02Å
767	E	71.3	Confident	68.5	Low	140 Å²	140	130 Å²	130	65%	0.654	61%	0.612	S	S	*	*	H	α-helix	trans	-64.8	-40.5	175.6	-156.7	175.4	-158.8	0	0	111.8	M763 R765 T770 Y771	M763-E767 WeakPolarHBondContact O-CB 3.41Å; M763-E767 PolarHBondContact O-N 2.99Å; R765-E767 VanDerWaalsContact C-N 3.3Å; R765-E767 PolarHBondContact O-N 3.5Å; E767-T770 PolarHBondContact O-N 3.47Å; E767-Y771 WeakPolarHBondContact O-CB 3.22Å; E767-Y771 PolarHBondContact O-N 3.01Å
768	K	71	Confident	67.1	Low	153 Å²	153	136.4 Å²	136.4	67%	0.665	64%	0.639	S	S	*	*	H	α-helix	trans	-67.8	-36.7	174.6	-79.7	179.7	178.4	176.3	0	113.7	Q764 R765 K772	Q764-K768 WeakPolarHBondContact O-CG 3.38Å; Q764-K768 PolarHBondContact O-N 3.24Å; R765-K768 PolarHBondContact O-N 3.08Å; K768-K772 PolarHBondContact O-N 3.47Å
769	E	71.8	Confident	66.5	Low	128 Å²	128	138 Å²	138	60%	0.598	65%	0.646	S	S	*	*	H	α-helix	trans	-70.7	-38.8	174.7	-76.4	-165.3	160.5	0	0	111.8	R765 H766 Y771 K772 L773	R765-E769 PolarHBondContact O-N 3.05Å; H766-E769 PolarHBondContact O-N 3.49Å; E769-Y771 VanDerWaalsContact C-N 3.29Å; E769-Y771 PolarHBondContact O-N 3.02Å; E769-K772 PolarHBondContact O-N 3.15Å; E769-L773 PolarHBondContact O-N 3.26Å
770	T	66	Low	65.8	Low	67 Å²	67	139.8 Å²	139.8	41%	0.411	65%	0.652	S	S	.	*	H	α-helix	trans	-63.1	-38.9	174.4	-46	0	0	0	0	110.5	H766 E767 L773 T774	H766-T770 WeakPolarHBondContact O-CB 3.48Å; H766-T770 PolarHBondContact O-N 3.49Å; H766-T770 PolarHBondContact O-OG1 3.02Å; E767-T770 PolarHBondContact O-N 3.47Å; T770-L773 PolarHBondContact O-N 2.64Å; T770-T774 PolarHBondContact O-N 3.01Å; T770-T774 VanDerWaalsContact O-N 3.13Å; T770-T774 PolarHBondContact O-OG1 3.1Å
771	Y	60.2	Low	65.3	Low	172 Å²	172	142.1 Å²	142.1	68%	0.675	66%	0.66	S	S	*	*	H	α-helix	trans	-66.6	-39.5	174.7	-134.2	-95.1	0	0	0	112.8	E767 E769 T774 L775	E767-Y771 WeakPolarHBondContact O-CB 3.22Å; E767-Y771 PolarHBondContact O-N 3.01Å; E769-Y771 VanDerWaalsContact C-N 3.29Å; E769-Y771 PolarHBondContact O-N 3.02Å; Y771-T774 PolarHBondContact O-N 3.19Å; Y771-L775 HydrophobicContact CD1-CD1 3.85Å; Y771-L775 HydrophobicContact CE1-CD1 4.18Å; Y771-L775 PolarHBondContact O-N 3.02Å
772	K	62.8	Low	64.6	Low	155 Å²	155	143 Å²	143	67%	0.674	66%	0.664	S	S	*	*	H	α-helix	trans	-66.3	-39.3	175	-82.2	-175.4	175.5	-177	0	113.1	K768 E769 T774 L775 Q776	K768-K772 PolarHBondContact O-N 3.47Å; E769-K772 PolarHBondContact O-N 3.15Å; K772-T774 VanDerWaalsContact C-N 3.27Å; K772-T774 PolarHBondContact O-N 3.17Å; K772-L775 PolarHBondContact O-N 3.18Å; K772-Q776 PolarHBondContact O-N 3.36Å
773	L	57.7	Low	63.7	Low	118 Å²	118	143.9 Å²	143.9	62%	0.618	67%	0.668	S	S	*	*	H	α-helix	trans	-67.5	-28.1	176.3	-85.4	155.2	0	0	0	112.7	E769 T770	E769-L773 PolarHBondContact O-N 3.26Å; T770-L773 PolarHBondContact O-N 2.64Å
774	T	56.9	Low	63	Low	85 Å²	85	144.9 Å²	144.9	52%	0.521	67%	0.669	S	S	.	*	H	α-helix	trans	-78.3	-29.7	177.1	-44.6	0	0	0	0	111.8	T770 Y771 K772	T770-T774 PolarHBondContact O-N 3.01Å; T770-T774 VanDerWaalsContact O-N 3.13Å; T770-T774 PolarHBondContact O-OG1 3.1Å; Y771-T774 PolarHBondContact O-N 3.19Å; K772-T774 VanDerWaalsContact C-N 3.27Å; K772-T774 PolarHBondContact O-N 3.17Å
775	L	54.8	Low	62.3	Low	122 Å²	122	146.5 Å²	146.5	64%	0.639	68%	0.676	S	S	*	*	H	α-helix	trans	-79.8	-17.9	176.5	-97.4	136.8	0	0	0	114.8	Y771 K772	Y771-L775 HydrophobicContact CD1-CD1 3.85Å; Y771-L775 HydrophobicContact CE1-CD1 4.18Å; Y771-L775 PolarHBondContact O-N 3.02Å; K772-L775 PolarHBondContact O-N 3.18Å
776	Q	52.3	Low	61.2	Low	171 Å²	171	143.8 Å²	143.8	80%	0.799	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-3.8	173.3	-91	-177.4	-27.5	0	0	114.1	K772	K772-Q776 PolarHBondContact O-N 3.36Å
777	K	51.6	Low	60.1	Low	192 Å²	192	144.8 Å²	144.8	84%	0.835	68%	0.681	S	S	*	*			trans	-106.6	9.9	176.8	-93.2	-175.7	175.5	179.8	0	113.8
778	H	45.3	Very low	59.1	Low	235 Å²	235	145.3 Å²	145.3	100%	1.088	68%	0.684	S	S	*	*			trans	-115.2	0	172.1	-91.6	-43.2	0	0	0	112.1

Retrieved 778 of 778 residues in 825.3 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).