A0A087YFG3_POEFO Loading...

D-2-hydroxyglutarate dehydrogenase, mitochondrial

Catalyzes the oxidation of D-2-hydroxyglutarate (D-2-HG) to alpha-ketoglutarate. Also catalyzes the oxidation of other D-2-hydroxyacids, such as D-malate (D-MAL) and D-lactate (D-LAC). Exhibits high activities towards D-2-HG and D-MAL but a very weak activity towards D-LAC.

AlphaFold DB , UniProt , Accession A0A087YFG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 536 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.8	Very low	38.9	Very low	232 Å²	232	97.9 Å²	97.9	100%	1.143	51%	0.513	S	S	*	.				0	12.1	0	-139.6	157.1	174	0	0	113.1
2	N	35.7	Very low	39	Very low	113 Å²	113	97.5 Å²	97.5	60%	0.604	52%	0.518	S	S	*	.			trans	-120.1	10.7	-159.4	-84.5	-4.4	0	0	0	118.5
3	A	32.3	Very low	39.2	Very low	72 Å²	72	93.1 Å²	93.1	60%	0.595	50%	0.499	S	S	*	.	S	Bend	trans	-90.7	-29.9	173.2	0	0	0	0	0	113.5
4	Y	33.1	Very low	39.1	Very low	215 Å²	215	95.9 Å²	95.9	84%	0.843	51%	0.508	S	S	*	.	H	α-helix	trans	-76.8	-22.6	-175.3	-88.2	-87	0	0	0	114.1
5	V	40.9	Very low	38.8	Very low	90 Å²	90	100.8 Å²	100.8	55%	0.545	52%	0.523	S	S	.	.	H	α-helix	trans	-79.3	-33.3	-179.9	-177.2	0	0	0	0	111.6	G8	V5-G8 PolarHBondContact O-N 2.94Å
6	M	39.6	Very low	38.7	Very low	39 Å²	39	102 Å²	102	19%	0.192	53%	0.53	C	S	.	.	H	α-helix	trans	-72.8	-33.2	178	-77.9	-149	-172.9	0	0	113.8	G8 V9 L368 H369 L372 V386	M6-G8 PolarHBondContact O-N 2.94Å; M6-V9 PolarHBondContact O-N 2.69Å; M6-L368 HydrophobicContact CE-CD2 4.4Å; M6-H369 HydrophobicContact CE-CB 4.28Å; M6-L372 HydrophobicContact SD-CD1 4.38Å; M6-V386 HydrophobicContact SD-CB 4.26Å; M6-V386 HydrophobicContact SD-CG1 4.1Å; M6-V386 HydrophobicContact SD-CG2 4.05Å
7	L	41.3	Very low	38.8	Very low	99 Å²	99	103.5 Å²	103.5	52%	0.518	53%	0.527	S	S	.	.	H	α-helix	trans	-62.9	-28.2	170.4	-97.7	126.7	0	0	0	112.4	V9 F10 Q11	L7-V9 PolarHBondContact O-N 2.8Å; L7-F10 PolarHBondContact O-N 2.86Å; L7-Q11 WeakPolarHBondContact O-CG 3.46Å; L7-Q11 PolarHBondContact O-N 2.93Å; L7-Q11 VanDerWaalsContact O-N 3.13Å
8	G	38.4	Very low	38.8	Very low	25 Å²	25	103.2 Å²	103.2	26%	0.258	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-35.3	179.2	0	0	0	0	0	113.6	V5 M6 F10 Q11 T12	V5-G8 PolarHBondContact O-N 2.94Å; M6-G8 PolarHBondContact O-N 2.94Å; G8-F10 VanDerWaalsContact C-N 3.33Å; G8-F10 PolarHBondContact O-N 3.43Å; G8-Q11 PolarHBondContact O-N 2.8Å; G8-T12 WeakPolarHBondContact O-CB 3.34Å; G8-T12 PolarHBondContact O-N 3.29Å; G8-T12 PolarHBondContact O-OG1 3.25Å
9	V	50.5	Low	38.5	Very low	40 Å²	40	102.2 Å²	102.2	24%	0.242	53%	0.534	C	S	.	.	H	α-helix	trans	-63.7	-40.6	179.5	-178.2	0	0	0	0	111	M6 L7 M376	M6-V9 PolarHBondContact O-N 2.69Å; L7-V9 PolarHBondContact O-N 2.8Å; V9-M376 HydrophobicContact CG1-CG 4.4Å
10	F	44.6	Very low	38.3	Very low	32 Å²	32	103.6 Å²	103.6	14%	0.14	54%	0.541	C	S	.	.	H	α-helix	trans	-80	-32.5	-179.6	-63.3	-71.3	0	0	0	113.4	L7 G8 S13 M376 G384	L7-F10 PolarHBondContact O-N 2.86Å; G8-F10 VanDerWaalsContact C-N 3.33Å; G8-F10 PolarHBondContact O-N 3.43Å; F10-S13 PolarHBondContact O-OG 3.36Å; F10-M376 HydrophobicContact CD1-CE 4.02Å; F10-M376 HydrophobicContact CE1-CE 4.13Å; F10-M376 HydrophobicContact CE1-SD 4.04Å; F10-G384 VanDerWaalsContact CD1-O 3.27Å; F10-G384 WeakPolarHBondContact CD1-O 3.19Å; F10-G384 VanDerWaalsContact CE1-C 3.45Å; F10-G384 VanDerWaalsContact CE1-N 3.32Å; F10-G384 VanDerWaalsContact CE1-O 3.24Å; F10-G384 WeakPolarHBondContact CE1-O 3.46Å; F10-G384 WeakPolarHBondContact CG-O 3.44Å; F10-G384 VanDerWaalsContact CZ-C 3.47Å; F10-G384 WeakPolarHBondContact CZ-O 3.42Å
11	Q	41	Very low	38.1	Very low	120 Å²	120	108.9 Å²	108.9	56%	0.561	55%	0.554	S	S	*	*	H	α-helix	trans	-76.7	-25.3	-179.8	-73.7	-177.2	-9.3	0	0	114.2	L7 G8	L7-Q11 WeakPolarHBondContact O-CG 3.46Å; L7-Q11 PolarHBondContact O-N 2.93Å; L7-Q11 VanDerWaalsContact O-N 3.13Å; G8-Q11 PolarHBondContact O-N 2.8Å
12	T	39.8	Very low	38.1	Very low	93 Å²	93	105 Å²	105	57%	0.571	54%	0.537	S	S	*	.	H	α-helix	trans	-79.1	-27.6	-174.4	-43.7	0	0	0	0	112.4	G8	G8-T12 WeakPolarHBondContact O-CB 3.34Å; G8-T12 PolarHBondContact O-N 3.29Å; G8-T12 PolarHBondContact O-OG1 3.25Å
13	S	42.3	Very low	37.9	Very low	40 Å²	40	107 Å²	107	28%	0.28	55%	0.547	S	S	.	.	H	α-helix	trans	-77.7	-26.8	178.8	70	0	0	0	0	113.6	F10 K15 L16 R17	F10-S13 PolarHBondContact O-OG 3.36Å; S13-K15 VanDerWaalsContact C-N 3.3Å; S13-K15 PolarHBondContact O-N 3.04Å; S13-L16 PolarHBondContact O-N 2.62Å; S13-R17 PolarHBondContact O-N 3.39Å
14	Q	36.7	Very low	37.9	Very low	133 Å²	133	108.5 Å²	108.5	62%	0.621	55%	0.553	S	S	*	*	H	α-helix	trans	-64.3	-34.9	177.9	-128.9	179.5	13.6	0	0	111.9	R17 T18	Q14-R17 PolarHBondContact O-N 3.39Å; Q14-T18 PolarHBondContact O-OG1 2.97Å
15	K	35.4	Very low	37.9	Very low	169 Å²	169	110 Å²	110	74%	0.735	56%	0.558	S	S	*	*	H	α-helix	trans	-72.3	-28.2	178.3	-74.2	-176.6	178.9	176.6	0	113.7	S13	S13-K15 VanDerWaalsContact C-N 3.3Å; S13-K15 PolarHBondContact O-N 3.04Å
16	L	36.6	Very low	37.5	Very low	120 Å²	120	110.7 Å²	110.7	63%	0.628	57%	0.572	S	S	*	*	H	α-helix	trans	-76.8	-28.4	175.5	-93.1	117.6	0	0	0	113	S13	S13-L16 PolarHBondContact O-N 2.62Å
17	R	41.4	Very low	36.9	Very low	127 Å²	127	112.2 Å²	112.2	48%	0.479	60%	0.598	S	S	.	*	H	α-helix	trans	-75.8	-27.8	-179.8	-78.4	-177.8	172.9	166.6	2	113.8	S13 Q14 S19 L20 T382	S13-R17 PolarHBondContact O-N 3.39Å; Q14-R17 PolarHBondContact O-N 3.39Å; R17-S19 VanDerWaalsContact C-N 3.27Å; R17-S19 PolarHBondContact O-N 2.86Å; R17-L20 PolarHBondContact O-N 3.47Å; R17-T382 PolarHBondContact NH1-O 3.45Å; R17-T382 VanDerWaalsContact NH1-O 3.16Å
18	T	38.2	Very low	36.3	Very low	98 Å²	98	116 Å²	116	60%	0.601	62%	0.618	S	S	*	*	H	α-helix	trans	-68.1	-28.5	177	-33.5	0	0	0	0	112.1	Q14	Q14-T18 PolarHBondContact O-OG1 2.97Å
19	S	33.4	Very low	36	Very low	84 Å²	84	120 Å²	120	59%	0.587	64%	0.64	S	S	*	*	H	α-helix	trans	-80	-23.1	-180	-58.8	0	0	0	0	114	R17	R17-S19 VanDerWaalsContact C-N 3.27Å; R17-S19 PolarHBondContact O-N 2.86Å
20	L	33.8	Very low	35.1	Very low	130 Å²	130	124.2 Å²	124.2	68%	0.681	67%	0.667	S	S	*	*	H	α-helix	trans	-92.7	-16	-177.5	-84.7	153.2	0	0	0	114.3	R17 L22	R17-L20 PolarHBondContact O-N 3.47Å; L20-L22 VanDerWaalsContact C-N 3.34Å
21	R	34.3	Very low	34.3	Very low	215 Å²	215	129.3 Å²	129.3	81%	0.811	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-7.6	175.5	-78.5	-174.2	178.8	-167.5	0.5	114.6
22	L	31.1	Very low	33.7	Very low	150 Å²	150	130.9 Å²	130.9	79%	0.785	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-2.4	-178.9	-87.2	155.3	0	0	0	114.4	L20	L20-L22 VanDerWaalsContact C-N 3.34Å
23	L	32.2	Very low	33	Very low	157 Å²	157	134.1 Å²	134.1	82%	0.822	73%	0.726	S	S	*	*	S	Bend	trans	-116.8	5.4	-173.4	-80.4	162	0	0	0	116
24	S	31	Very low	32.2	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	76%	0.755	S	S	*	*	S	Bend	trans	-113.5	23.9	-178	80.9	0	0	0	0	115.3
25	R	33.8	Very low	31.7	Very low	248 Å²	248	140.8 Å²	140.8	94%	0.936	76%	0.761	S	S	*	*			trans	-120	79.9	174	-80.5	-172.2	172.1	-171.6	-1.6	111.7
26	A	31.5	Very low	31.1	Very low	103 Å²	103	141.1 Å²	141.1	85%	0.851	77%	0.766	S	S	*	*			trans	-148.9	104.3	154.4	0	0	0	0	0	107.2
27	G	27.3	Very low	30.6	Very low	72 Å²	72	143.6 Å²	143.6	74%	0.742	78%	0.778	S	S	*	*			trans	-99.7	162.2	-177.3	0	0	0	0	0	113.3
28	L	28.5	Very low	29.7	Very low	178 Å²	178	144.2 Å²	144.2	93%	0.932	79%	0.79	S	S	*	*			trans	-152.2	154.9	158.1	-85.3	175.2	0	0	0	110.1
29	P	32.2	Very low	29.1	Very low	110 Å²	110	146.3 Å²	146.3	71%	0.714	80%	0.797	S	S	*	*			trans	-102	177.3	-156.1	40.8	-35.1	0	0	0	115.4
30	P	32	Very low	28.8	Very low	127 Å²	127	153.5 Å²	153.5	83%	0.825	81%	0.811	S	S	*	*			trans	-95.3	159.8	-168.9	37.3	-31	0	0	0	114.1
31	V	28.6	Very low	28.3	Very low	140 Å²	140	150.9 Å²	150.9	85%	0.848	82%	0.816	S	S	*	*			trans	-117.6	129.5	174.5	-179.1	0	0	0	0	110.1
32	D	27.2	Very low	27.9	Very low	152 Å²	152	152.9 Å²	152.9	81%	0.813	82%	0.824	S	S	*	*			trans	-65.2	146.8	172.7	-92.1	-41.6	0	0	0	113.3
33	L	26.4	Very low	27.8	Very low	161 Å²	161	151 Å²	151	84%	0.843	82%	0.824	S	S	*	*			trans	-150.9	112.7	150.1	-127.3	109.7	0	0	0	111.6	V35	L33-V35 HydrophobicContact CD2-CG2 4.37Å
34	Q	24.3	Very low	27.8	Very low	188 Å²	188	149.1 Å²	149.1	88%	0.879	82%	0.82	S	S	*	*			trans	-77.8	137.3	161.8	-78.2	180	-16.2	0	0	110.2
35	V	26.1	Very low	27.7	Very low	125 Å²	125	152.5 Å²	152.5	76%	0.758	83%	0.83	S	S	*	*			trans	-144.8	120.1	149	-179.8	0	0	0	0	109.7	L33	L33-V35 HydrophobicContact CD2-CG2 4.37Å
36	Q	24.2	Very low	27.4	Very low	177 Å²	177	146.7 Å²	146.7	83%	0.827	83%	0.827	S	S	*	*			trans	-85.1	141.2	161.1	-91.4	178.4	-19.4	0	0	109.7
37	L	24.2	Very low	27.2	Very low	171 Å²	171	146.1 Å²	146.1	90%	0.895	82%	0.822	S	S	*	*			trans	-158	133.6	140.7	-125.6	116.5	0	0	0	112.3
38	L	23.4	Very low	27.1	Very low	140 Å²	140	149.1 Å²	149.1	73%	0.733	83%	0.826	S	S	*	*			trans	-80.7	149.7	175.6	-73.7	117.1	0	0	0	111.9
39	L	25.6	Very low	27	Very low	143 Å²	143	150.7 Å²	150.7	75%	0.749	83%	0.826	S	S	*	*				165.4	129.6	107.9	-84.9	165.4	0	0	0	114.1
40	R	26.5	Very low	26.7	Very low	234 Å²	234	150.5 Å²	150.5	88%	0.883	83%	0.827	S	S	*	*			trans	61.9	105.3	141.5	-68.2	179.6	177.6	-166.9	-0.1	121.8
41	G	23.9	Very low	26.4	Very low	76 Å²	76	156 Å²	156	78%	0.784	83%	0.832	S	S	*	*				88.7	108.8	98.7	0	0	0	0	0	119.9
42	R	26.4	Very low	26.2	Very low	256 Å²	256	158 Å²	158	97%	0.966	83%	0.829	S	S	*	*				169.6	139.5	116.6	-93.9	-179.4	178.2	-172.4	0.5	110.8
43	S	27.6	Very low	26.3	Very low	112 Å²	112	158.9 Å²	158.9	78%	0.783	83%	0.833	S	S	*	*			trans	-74	164.1	173.9	43	0	0	0	0	112
44	P	33.4	Very low	26.4	Very low	116 Å²	116	159.6 Å²	159.6	75%	0.753	83%	0.831	S	S	*	*				-144.3	147.4	91.9	32.5	-13.4	0	0	0	116.5
45	L	28.3	Very low	26.8	Very low	174 Å²	174	159 Å²	159	91%	0.911	83%	0.833	S	S	*	*			trans	20.2	118.5	140.7	-64.7	156.6	0	0	0	119.4
46	S	28.2	Very low	27	Very low	125 Å²	125	155.9 Å²	155.9	87%	0.874	83%	0.827	S	S	*	*			trans	-148.7	130.4	143.9	177.4	0	0	0	0	110.2
47	A	26.3	Very low	27.8	Very low	91 Å²	91	153.4 Å²	153.4	75%	0.752	83%	0.826	S	S	*	*			trans	-74.5	136.4	-165	0	0	0	0	0	113.8
48	T	26.7	Very low	28.3	Very low	136 Å²	136	152.8 Å²	152.8	83%	0.834	82%	0.824	S	S	*	*			trans	-80.7	114.7	169.5	28.5	0	0	0	0	110.4	S50	T48-S50 PolarHBondContact O-N 3.13Å
49	F	25.5	Very low	28.8	Very low	211 Å²	211	149.5 Å²	149.5	93%	0.925	82%	0.824	S	S	*	*			trans	-82.2	94.9	162.8	-100.7	-91.5	0	0	0	109
50	S	26.5	Very low	28.9	Very low	106 Å²	106	149 Å²	149	74%	0.741	83%	0.829	S	S	*	*			trans	-97.1	104.9	167.7	-158.3	0	0	0	0	108.5	T48 K52	T48-S50 PolarHBondContact O-N 3.13Å; S50-K52 PolarHBondContact O-N 2.97Å
51	R	25.7	Very low	29.4	Very low	242 Å²	242	142.5 Å²	142.5	91%	0.913	83%	0.825	S	S	*	*			trans	-79.9	98	174.4	-126	-178.7	-173.5	-162.7	2.1	108.1	L53	R51-L53 PolarHBondContact O-N 3.4Å
52	K	24.9	Very low	30.2	Very low	183 Å²	183	143.7 Å²	143.7	80%	0.796	82%	0.821	S	S	*	*			trans	-65.9	109	167.1	-77.8	-178.7	175.3	-179.2	0	109.3	S50 H54	S50-K52 PolarHBondContact O-N 2.97Å; K52-H54 PolarHBondContact O-N 2.68Å
53	L	28.9	Very low	31.3	Very low	170 Å²	170	134.9 Å²	134.9	89%	0.89	80%	0.799	S	S	*	*			trans	-72.3	117.4	160.2	-85.6	155.7	0	0	0	107.8	R51 L55	R51-L53 PolarHBondContact O-N 3.4Å; L53-L55 PolarHBondContact O-N 3.04Å
54	H	28.1	Very low	32.5	Very low	176 Å²	176	133 Å²	133	82%	0.815	79%	0.785	S	S	*	*			trans	-64.5	118.7	172.5	-81.6	26.6	0	0	0	109.8	K52	K52-H54 PolarHBondContact O-N 2.68Å
55	L	31.7	Very low	33.5	Very low	174 Å²	174	131.5 Å²	131.5	91%	0.911	78%	0.781	S	S	*	*			trans	-94.3	112.3	159.4	-75.6	163.5	0	0	0	107.1	L53	L53-L55 PolarHBondContact O-N 3.04Å
56	G	30.1	Very low	35.3	Very low	61 Å²	61	125.7 Å²	125.7	63%	0.629	76%	0.758	S	S	*	*			trans	-78.6	169.5	165.1	0	0	0	0	0	111.5
57	P	41.2	Very low	37.6	Very low	124 Å²	124	123.2 Å²	123.2	81%	0.805	75%	0.745	S	S	*	*			trans	-97.2	114.3	-158.5	34.4	-26	0	0	0	111.7
58	D	34.9	Very low	40.7	Very low	159 Å²	159	119.7 Å²	119.7	85%	0.85	72%	0.715	S	S	*	*			trans	-146	101.5	170.5	-82.1	-41.9	0	0	0	110.8
59	G	34.3	Very low	43.9	Very low	71 Å²	71	123.9 Å²	123.9	73%	0.732	72%	0.715	S	S	*	*	S	Bend	trans	57.6	168	158.8	0	0	0	0	0	118.6	A61	G59-A61 PolarHBondContact O-N 3.36Å
60	P	28.4	Very low	47.3	Very low	133 Å²	133	116.3 Å²	116.3	86%	0.864	68%	0.681	S	S	*	*			trans	-66.3	109.2	165.1	27.5	-28.4	0	0	0	107.4	S62	P60-S62 PolarHBondContact O-N 3.44Å
61	A	36.8	Very low	50.6	Low	97 Å²	97	115.1 Å²	115.1	80%	0.802	67%	0.666	S	S	*	*			trans	-53.3	113.7	170.3	0	0	0	0	0	108	G59 S63	G59-A61 PolarHBondContact O-N 3.36Å; A61-S63 PolarHBondContact O-N 2.94Å
62	S	40.9	Very low	54.1	Low	100 Å²	100	109 Å²	109	70%	0.699	66%	0.658	S	S	*	*			trans	-55.7	131	175.1	51.3	0	0	0	0	108.5	P60	P60-S62 PolarHBondContact O-N 3.44Å
63	S	48.5	Very low	57.6	Low	72 Å²	72	101 Å²	101	50%	0.503	62%	0.623	S	S	.	*			trans	-49.4	134.1	176.5	175.8	0	0	0	0	109.9	A61 A65 A66	A61-S63 PolarHBondContact O-N 2.94Å; S63-A65 PolarHBondContact O-N 3.46Å; S63-A65 PolarHBondContact OG-N 3.41Å; S63-A66 WeakPolarHBondContact O-CB 3.48Å; S63-A66 PolarHBondContact O-N 2.96Å
64	P	53.1	Low	60.9	Low	73 Å²	73	95 Å²	95	47%	0.474	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52.7	-20.8	174.5	-24	31.8	0	0	0	113.4
65	A	54.7	Low	64.3	Low	83 Å²	83	94.2 Å²	94.2	69%	0.686	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-6.1	179	0	0	0	0	0	114.9	S63	S63-A65 PolarHBondContact O-N 3.46Å; S63-A65 PolarHBondContact OG-N 3.41Å
66	A	65.2	Low	67.5	Low	52 Å²	52	87.9 Å²	87.9	43%	0.43	55%	0.553	S	S	.	*	S	Bend	trans	-71.2	137.4	175.8	0	0	0	0	0	110.3	S63	S63-A66 WeakPolarHBondContact O-CB 3.48Å; S63-A66 PolarHBondContact O-N 2.96Å
67	A	78	Confident	70.7	Confident	73 Å²	73	87.2 Å²	87.2	60%	0.603	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-58.9	132.2	172.1	0	0	0	0	0	109.2
68	P	90.7	Very high	73.4	Confident	17 Å²	17	86 Å²	86	11%	0.11	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-64.4	147.8	178.6	25.7	-29.5	0	0	0	109.4	R70 Y157 L494 Y528	P68-R70 PolarHBondContact O-N 3.47Å; P68-Y157 WeakPolarHBondContact O-CE2 3.38Å; P68-Y157 PolarHBondContact O-OH 3.48Å; P68-L494 HydrophobicContact CG-CD1 4.29Å; P68-Y528 HydrophobicContact CB-CD1 4.1Å; P68-Y528 HydrophobicContact CG-CD1 3.82Å; P68-Y528 HydrophobicContact CG-CG 3.96Å
69	R	93.4	Very high	76.5	Confident	224 Å²	224	84.4 Å²	84.4	85%	0.845	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-62.8	136	-179.8	-178.1	-179.2	177	-178	0.5	110.7	L71 Y528	R69-L71 PolarHBondContact O-N 3.27Å; R69-Y528 WeakPolarHBondContact O-CE1 3.49Å
70	R	96.8	Very high	79.5	Confident	52 Å²	52	81 Å²	81	20%	0.196	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-53.2	122	172.9	-166	-170.4	178.5	-83.7	8.1	110.7	P68 F73 S74 Y157 D158 Y528	P68-R70 PolarHBondContact O-N 3.47Å; R70-F73 PolarHBondContact NH1-O 3.46Å; R70-F73 PolarHBondContact NH2-O 3Å; R70-S74 PolarHBondContact NH2-O 3.45Å; R70-Y157 HydrophobicContact CB-CD1 4.21Å; R70-Y157 HydrophobicContact CB-CD2 3.72Å; R70-Y157 HydrophobicContact CB-CE1 4.07Å; R70-Y157 HydrophobicContact CB-CE2 3.55Å; R70-Y157 HydrophobicContact CB-CG 4.03Å; R70-Y157 HydrophobicContact CG-CD1 4.42Å; R70-Y157 HydrophobicContact CG-CD2 3.81Å; R70-Y157 HydrophobicContact CG-CE2 4.18Å; R70-Y157 HydrophobicContact CG-CG 3.92Å; R70-Y157 PolarHBondContact N-OH 3.11Å; R70-D158 IonicContact CZ-OD1 2.78Å; R70-D158 VanDerWaalsContact CZ-OD1 3.27Å; R70-D158 IonicContact CZ-OD2 3.78Å; R70-D158 IonicContact NE-OD1 2.73Å; R70-D158 PolarHBondContact NE-OD1 3.11Å; R70-D158 IonicContact NE-OD2 3.51Å; R70-D158 VanDerWaalsContact NH2-CG 3.32Å; R70-D158 IonicContact NH2-OD1 3.01Å; R70-D158 PolarHBondContact NH2-OD1 3.17Å; R70-D158 IonicContact NH2-OD2 2.82Å; R70-D158 PolarHBondContact NH2-OD2 2.65Å; R70-Y528 WeakPolarHBondContact CA-OH 3.38Å; R70-Y528 WeakPolarHBondContact CG-OH 3.16Å
71	L	97.3	Very high	82.9	Confident	81 Å²	81	76.2 Å²	76.2	42%	0.424	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-69.8	161	175	-73.1	174.5	0	0	0	110.6	R69 F73 P527 Y528	R69-L71 PolarHBondContact O-N 3.27Å; L71-F73 HydrophobicContact CB-CD2 3.82Å; L71-F73 HydrophobicContact CB-CE2 3.47Å; L71-F73 VanDerWaalsContact CB-CE2 3.47Å; L71-F73 HydrophobicContact CB-CZ 4.01Å; L71-F73 HydrophobicContact CD1-CE2 3.91Å; L71-F73 HydrophobicContact CD1-CZ 3.94Å; L71-F73 HydrophobicContact CG-CE2 4.29Å; L71-F73 PolarHBondContact O-N 2.87Å; L71-P527 HydrophobicContact CD1-CB 4.47Å; L71-Y528 HydrophobicContact CB-CE1 4.15Å; L71-Y528 HydrophobicContact CD1-CE1 4.07Å; L71-Y528 HydrophobicContact CG-CE1 3.76Å; L71-Y528 PolarHBondContact N-OH 3.45Å
72	P	98	Very high	85.8	Confident	115 Å²	115	75.4 Å²	75.4	75%	0.747	43%	0.432	S	S	*	.	S	Bend	trans	-76.7	47.2	-174.3	33.9	-37.7	0	0	0	113.2	N137	P72-N137 PolarHBondContact O-ND2 2.9Å
73	F	98.7	Very high	88.6	Confident	15 Å²	15	73.4 Å²	73.4	7%	0.066	41%	0.41	C	S	.	.			trans	-69.4	148.9	169	-59.9	-60.9	0	0	0	110.5	R70 L71 N137 A139 G523 I524 P527	R70-F73 PolarHBondContact NH1-O 3.46Å; R70-F73 PolarHBondContact NH2-O 3Å; L71-F73 HydrophobicContact CB-CD2 3.82Å; L71-F73 HydrophobicContact CB-CE2 3.47Å; L71-F73 VanDerWaalsContact CB-CE2 3.47Å; L71-F73 HydrophobicContact CB-CZ 4.01Å; L71-F73 HydrophobicContact CD1-CE2 3.91Å; L71-F73 HydrophobicContact CD1-CZ 3.94Å; L71-F73 HydrophobicContact CG-CE2 4.29Å; L71-F73 PolarHBondContact O-N 2.87Å; F73-N137 WeakPolarHBondContact CA-O 3.28Å; F73-A139 HydrophobicContact CB-CB 4.37Å; F73-A139 HydrophobicContact CD1-CB 4.12Å; F73-A139 HydrophobicContact CD2-CB 3.65Å; F73-A139 HydrophobicContact CE1-CB 4.34Å; F73-A139 HydrophobicContact CE2-CB 3.86Å; F73-A139 HydrophobicContact CG-CB 3.78Å; F73-A139 HydrophobicContact CZ-CB 4.23Å; F73-G523 VanDerWaalsContact CZ-O 3.28Å; F73-G523 WeakPolarHBondContact CZ-O 3.47Å; F73-I524 HydrophobicContact CD1-CG2 4.44Å; F73-I524 HydrophobicContact CE1-CG2 4.19Å; F73-P527 HydrophobicContact CE2-CB 3.67Å; F73-P527 HydrophobicContact CE2-CG 3.73Å; F73-P527 HydrophobicContact CZ-CB 3.8Å; F73-P527 HydrophobicContact CZ-CG 4.1Å
74	S	98.7	Very high	90.9	Very high	44 Å²	44	70 Å²	70	31%	0.308	39%	0.387	S	S	.	.			trans	-62	164.2	169.1	-66	0	0	0	0	110.9	R70 R136 N137	R70-S74 PolarHBondContact NH2-O 3.45Å; S74-R136 WeakPolarHBondContact CB-O 3.46Å; S74-R136 PolarHBondContact OG-O 3.38Å; S74-N137 PolarHBondContact N-O 2.79Å
75	R	98.5	Very high	93.1	Very high	159 Å²	159	72.1 Å²	72.1	60%	0.6	39%	0.385	S	S	*	.			trans	-104.7	150.1	170.8	-67	-173.6	177.2	-93.1	12.6	108.6	T77 D158	R75-T77 PolarHBondContact O-N 3.02Å; R75-D158 IonicContact CZ-OD2 3.81Å; R75-D158 IonicContact NH1-OD2 2.95Å; R75-D158 PolarHBondContact NH1-OD2 3.22Å
76	V	98.5	Very high	95.2	Very high	40 Å²	40	76.7 Å²	76.7	24%	0.242	39%	0.39	C	S	.	.			trans	-61.8	130.8	177.1	177.1	0	0	0	0	109.9	D80 L81 V116 L138 I160	V76-D80 HydrophobicContact CG1-CB 4.09Å; V76-L81 HydrophobicContact CG1-CD2 3.7Å; V76-L81 HydrophobicContact CG1-CG 3.8Å; V76-V116 HydrophobicContact CB-CG2 4.45Å; V76-V116 HydrophobicContact CG1-CG2 3.98Å; V76-V116 HydrophobicContact CG2-CG2 4.14Å; V76-L138 HydrophobicContact CG2-CD2 4.31Å; V76-I160 HydrophobicContact CG2-CD1 3.99Å; V76-I160 HydrophobicContact CG2-CG1 3.92Å
77	T	98.6	Very high	96.7	Very high	47 Å²	47	75.2 Å²	75.2	29%	0.288	38%	0.375	S	S	.	.			trans	-108.3	175	173.4	78.4	0	0	0	0	112	R75 E79 D80 L81	R75-T77 PolarHBondContact O-N 3.02Å; T77-E79 VanDerWaalsContact C-N 3.26Å; T77-E79 VanDerWaalsContact CB-OE2 3.24Å; T77-E79 WeakPolarHBondContact CB-OE2 3.09Å; T77-E79 PolarHBondContact O-N 3.36Å; T77-E79 PolarHBondContact OG1-N 3.21Å; T77-E79 PolarHBondContact OG1-OE2 3.42Å; T77-D80 PolarHBondContact N-OD2 2.61Å; T77-D80 PolarHBondContact O-N 3.48Å; T77-D80 PolarHBondContact OG1-N 3.34Å; T77-D80 PolarHBondContact OG1-OD2 3.19Å; T77-L81 WeakPolarHBondContact O-CG 3.48Å; T77-L81 PolarHBondContact O-N 3.47Å
78	V	98.1	Very high	97.7	Very high	98 Å²	98	71.7 Å²	71.7	59%	0.594	35%	0.346	S	S	*	.	H	α-helix	trans	-63.7	-34	176.5	177.3	0	0	0	0	111.6	L81 T82	V78-L81 PolarHBondContact O-N 2.91Å; V78-T82 WeakPolarHBondContact O-CB 3.41Å; V78-T82 PolarHBondContact O-N 3.43Å; V78-T82 PolarHBondContact O-OG1 3.24Å
79	E	98.4	Very high	98	Very high	127 Å²	127	75.2 Å²	75.2	59%	0.593	37%	0.369	S	S	*	.	H	α-helix	trans	-66.1	-42.6	175.7	-61.2	71.2	-153	0	0	111	T77 L81 T82 F83	T77-E79 VanDerWaalsContact C-N 3.26Å; T77-E79 VanDerWaalsContact CB-OE2 3.24Å; T77-E79 WeakPolarHBondContact CB-OE2 3.09Å; T77-E79 PolarHBondContact O-N 3.36Å; T77-E79 PolarHBondContact OG1-N 3.21Å; T77-E79 PolarHBondContact OG1-OE2 3.42Å; E79-L81 PolarHBondContact O-N 3.39Å; E79-T82 WeakPolarHBondContact O-CB 3.33Å; E79-T82 PolarHBondContact O-N 3.21Å; E79-F83 PolarHBondContact O-N 3.21Å
80	D	98.7	Very high	98.2	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-60.5	-46	175.3	-57.1	-41.1	0	0	0	110.2	V76 T77 T82 F83 F84 Y132 R136 L138	V76-D80 HydrophobicContact CG1-CB 4.09Å; T77-D80 PolarHBondContact N-OD2 2.61Å; T77-D80 PolarHBondContact O-N 3.48Å; T77-D80 PolarHBondContact OG1-N 3.34Å; T77-D80 PolarHBondContact OG1-OD2 3.19Å; D80-T82 VanDerWaalsContact C-N 3.31Å; D80-T82 PolarHBondContact O-N 3.23Å; D80-F83 WeakPolarHBondContact O-CB 3.49Å; D80-F83 PolarHBondContact O-N 3.3Å; D80-F84 HydrophobicContact CB-CE2 4.18Å; D80-F84 WeakPolarHBondContact O-CD2 3.32Å; D80-F84 WeakPolarHBondContact O-CG 3.38Å; D80-F84 PolarHBondContact O-N 3.4Å; D80-Y132 WeakPolarHBondContact CA-OH 3.39Å; D80-Y132 HydrophobicContact CB-CE1 3.96Å; D80-Y132 WeakPolarHBondContact OD1-CE1 3.39Å; D80-Y132 PolarHBondContact OD1-OH 3.1Å; D80-R136 IonicContact OD1-CZ 3.34Å; D80-R136 IonicContact OD1-NE 3.78Å; D80-R136 PolarHBondContact OD1-NE 2.87Å; D80-R136 IonicContact OD1-NH2 2.75Å; D80-R136 IonicContact OD2-NE 3.5Å; D80-R136 IonicContact OD2-NH2 3.1Å; D80-R136 PolarHBondContact OD2-NH2 2.89Å; D80-L138 HydrophobicContact CB-CD1 4.35Å
81	L	98.6	Very high	98.2	Very high	31 Å²	31	66.9 Å²	66.9	16%	0.162	36%	0.36	C	S	.	.	H	α-helix	trans	-62.3	-37.2	175.1	-67.1	-178.7	0	0	0	113	V76 T77 V78 E79 F84 R85 T94 V116	V76-L81 HydrophobicContact CG1-CD2 3.7Å; V76-L81 HydrophobicContact CG1-CG 3.8Å; T77-L81 WeakPolarHBondContact O-CG 3.48Å; T77-L81 PolarHBondContact O-N 3.47Å; V78-L81 PolarHBondContact O-N 2.91Å; E79-L81 PolarHBondContact O-N 3.39Å; L81-F84 PolarHBondContact O-N 3.13Å; L81-R85 WeakPolarHBondContact O-CB 3.34Å; L81-R85 VanDerWaalsContact O-CG 3.24Å; L81-R85 WeakPolarHBondContact O-CG 3.46Å; L81-R85 PolarHBondContact O-N 3.06Å; L81-T94 HydrophobicContact CD1-CG2 4.28Å; L81-T94 HydrophobicContact CD2-CG2 3.64Å; L81-V116 HydrophobicContact CD2-CG1 4.32Å; L81-V116 HydrophobicContact CD2-CG2 3.68Å
82	T	98.5	Very high	98.3	Very high	81 Å²	81	63.7 Å²	63.7	50%	0.497	34%	0.344	S	S	.	.	H	α-helix	trans	-64.7	-42.9	176.9	-60.4	0	0	0	0	110.6	V78 E79 D80 K86	V78-T82 WeakPolarHBondContact O-CB 3.41Å; V78-T82 PolarHBondContact O-N 3.43Å; V78-T82 PolarHBondContact O-OG1 3.24Å; E79-T82 WeakPolarHBondContact O-CB 3.33Å; E79-T82 PolarHBondContact O-N 3.21Å; D80-T82 VanDerWaalsContact C-N 3.31Å; D80-T82 PolarHBondContact O-N 3.23Å; T82-K86 WeakPolarHBondContact O-CB 3.31Å; T82-K86 PolarHBondContact O-N 3.43Å
83	F	98.7	Very high	98.3	Very high	57 Å²	57	59.2 Å²	59.2	25%	0.25	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-49.2	173	173.7	-92.3	0	0	0	111.6	E79 D80 R85 K86 T87 Y132	E79-F83 PolarHBondContact O-N 3.21Å; D80-F83 WeakPolarHBondContact O-CB 3.49Å; D80-F83 PolarHBondContact O-N 3.3Å; F83-R85 PolarHBondContact O-N 2.9Å; F83-K86 PolarHBondContact O-N 3.41Å; F83-T87 WeakPolarHBondContact O-CB 3.37Å; F83-T87 PolarHBondContact O-N 2.59Å; F83-T87 PolarHBondContact O-OG1 3.44Å; F83-Y132 HydrophobicContact CB-CD2 4.42Å; F83-Y132 HydrophobicContact CB-CE1 4.22Å; F83-Y132 HydrophobicContact CB-CE2 3.9Å; F83-Y132 AromaticContact CD1-CD1 3.57Å; F83-Y132 HydrophobicContact CD1-CD1 3.57Å; F83-Y132 AromaticContact CD1-CD2 3.63Å; F83-Y132 HydrophobicContact CD1-CD2 3.63Å; F83-Y132 AromaticContact CD1-CE1 3.9Å; F83-Y132 HydrophobicContact CD1-CE1 3.9Å; F83-Y132 AromaticContact CD1-CE2 3.96Å; F83-Y132 HydrophobicContact CD1-CE2 3.96Å; F83-Y132 AromaticContact CD1-CG 3.42Å; F83-Y132 HydrophobicContact CD1-CG 3.42Å; F83-Y132 VanDerWaalsContact CD1-CG 3.42Å; F83-Y132 AromaticContact CD2-CD2 3.68Å; F83-Y132 HydrophobicContact CD2-CD2 3.68Å; F83-Y132 AromaticContact CD2-CE2 3.78Å; F83-Y132 HydrophobicContact CD2-CE2 3.78Å; F83-Y132 HydrophobicContact CD2-CG 4.31Å; F83-Y132 AromaticContact CE1-CD1 3.9Å; F83-Y132 HydrophobicContact CE1-CD1 3.9Å; F83-Y132 AromaticContact CE1-CD2 3.73Å; F83-Y132 HydrophobicContact CE1-CD2 3.73Å; F83-Y132 HydrophobicContact CE1-CE2 4.5Å; F83-Y132 AromaticContact CE1-CG 3.37Å; F83-Y132 HydrophobicContact CE1-CG 3.37Å; F83-Y132 AromaticContact CE2-CD2 3.76Å; F83-Y132 HydrophobicContact CE2-CD2 3.76Å; F83-Y132 HydrophobicContact CE2-CE2 4.32Å; F83-Y132 HydrophobicContact CE2-CG 4.26Å; F83-Y132 HydrophobicContact CG-CD1 4.19Å; F83-Y132 AromaticContact CG-CD2 3.62Å; F83-Y132 HydrophobicContact CG-CD2 3.62Å; F83-Y132 HydrophobicContact CG-CE1 4.16Å; F83-Y132 AromaticContact CG-CE2 3.58Å; F83-Y132 HydrophobicContact CG-CE2 3.58Å; F83-Y132 AromaticContact CG-CG 3.93Å; F83-Y132 HydrophobicContact CG-CG 3.93Å; F83-Y132 AromaticContact CG-CZ 3.85Å; F83-Y132 AromaticContact CZ-CD2 3.79Å; F83-Y132 HydrophobicContact CZ-CD2 3.79Å; F83-Y132 AromaticContact CZ-CG 3.82Å; F83-Y132 HydrophobicContact CZ-CG 3.82Å
84	F	98.7	Very high	98.3	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.4	-40	-179.6	-63.8	-47.1	0	0	0	112.8	D80 L81 K86 T87 L88 A92 L118 I129 Y132 I160	D80-F84 HydrophobicContact CB-CE2 4.18Å; D80-F84 WeakPolarHBondContact O-CD2 3.32Å; D80-F84 WeakPolarHBondContact O-CG 3.38Å; D80-F84 PolarHBondContact O-N 3.4Å; L81-F84 PolarHBondContact O-N 3.13Å; F84-K86 VanDerWaalsContact C-N 3.32Å; F84-K86 PolarHBondContact O-N 2.81Å; F84-T87 PolarHBondContact O-N 3.47Å; F84-L88 WeakPolarHBondContact O-CA 3.31Å; F84-L88 WeakPolarHBondContact O-CB 3.49Å; F84-L88 PolarHBondContact O-N 3.45Å; F84-A92 HydrophobicContact CB-CB 3.93Å; F84-L118 HydrophobicContact CB-CD2 3.81Å; F84-L118 HydrophobicContact CD1-CD1 3.62Å; F84-L118 HydrophobicContact CD1-CD2 4.3Å; F84-L118 HydrophobicContact CD2-CD1 4.37Å; F84-L118 HydrophobicContact CD2-CD2 4.27Å; F84-L118 HydrophobicContact CE1-CD1 3.75Å; F84-L118 HydrophobicContact CE2-CD1 4.47Å; F84-L118 HydrophobicContact CG-CD1 3.98Å; F84-L118 HydrophobicContact CG-CD2 3.88Å; F84-L118 HydrophobicContact CZ-CD1 4.18Å; F84-I129 HydrophobicContact CD1-CG1 4.46Å; F84-I129 HydrophobicContact CE1-CG2 4.11Å; F84-Y132 AromaticContact CE1-CD1 3.92Å; F84-Y132 HydrophobicContact CE1-CD1 3.92Å; F84-Y132 AromaticContact CZ-CD1 3.83Å; F84-Y132 HydrophobicContact CZ-CD1 3.83Å; F84-Y132 HydrophobicContact CZ-CE1 4.19Å; F84-I160 HydrophobicContact CE2-CD1 3.76Å; F84-I160 HydrophobicContact CZ-CD1 3.75Å
85	R	98.4	Very high	98.2	Very high	118 Å²	118	62.3 Å²	62.3	45%	0.445	33%	0.33	S	S	.	.	H	α-helix	trans	-66.9	-33.6	176.5	-73.1	170.2	-177.9	155.9	1.5	112.6	L81 F83 L88 P89 A92 T94	L81-R85 WeakPolarHBondContact O-CB 3.34Å; L81-R85 VanDerWaalsContact O-CG 3.24Å; L81-R85 WeakPolarHBondContact O-CG 3.46Å; L81-R85 PolarHBondContact O-N 3.06Å; F83-R85 PolarHBondContact O-N 2.9Å; R85-L88 CarbonylContact O-C 3.54Å; R85-P89 WeakPolarHBondContact O-CA 3.33Å; R85-A92 HydrophobicContact CG-CB 4.18Å; R85-T94 PolarHBondContact NH2-OG1 2.94Å
86	K	98.3	Very high	98	Very high	179 Å²	179	59.3 Å²	59.3	78%	0.778	33%	0.331	S	S	*	.	H	α-helix	trans	-68.7	-42.9	173	-177.1	-178.9	177	-176.7	0	111.5	T82 F83 F84	T82-K86 WeakPolarHBondContact O-CB 3.31Å; T82-K86 PolarHBondContact O-N 3.43Å; F83-K86 PolarHBondContact O-N 3.41Å; F84-K86 VanDerWaalsContact C-N 3.32Å; F84-K86 PolarHBondContact O-N 2.81Å
87	T	98.1	Very high	97.7	Very high	21 Å²	21	63.3 Å²	63.3	13%	0.129	35%	0.351	C	S	.	.	H	α-helix	trans	-72.1	-37.3	-179.6	-54.7	0	0	0	0	111.8	F83 F84 P89 Q128	F83-T87 WeakPolarHBondContact O-CB 3.37Å; F83-T87 PolarHBondContact O-N 2.59Å; F83-T87 PolarHBondContact O-OG1 3.44Å; F84-T87 PolarHBondContact O-N 3.47Å; T87-P89 WeakPolarHBondContact O-CD 3.27Å; T87-Q128 HydrophobicContact CG2-CB 4.22Å
88	L	98.1	Very high	97.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-126.1	70.4	-176.6	-60.9	-176.7	0	0	0	111.5	F84 R85 G90 R91 A92 L118 P120 E125 I129	F84-L88 WeakPolarHBondContact O-CA 3.31Å; F84-L88 WeakPolarHBondContact O-CB 3.49Å; F84-L88 PolarHBondContact O-N 3.45Å; R85-L88 CarbonylContact O-C 3.54Å; L88-G90 PolarHBondContact O-N 3.12Å; L88-G90 VanDerWaalsContact O-N 3.11Å; L88-R91 HydrophobicContact CB-CB 3.98Å; L88-R91 PolarHBondContact O-N 3Å; L88-A92 HydrophobicContact CB-CB 4.37Å; L88-A92 PolarHBondContact O-N 3.28Å; L88-L118 HydrophobicContact CD1-CB 3.8Å; L88-L118 HydrophobicContact CD1-CD2 4.2Å; L88-L118 HydrophobicContact CD1-CG 4.45Å; L88-P120 HydrophobicContact CD2-CB 4.31Å; L88-E125 HydrophobicContact CD2-CB 3.99Å; L88-E125 HydrophobicContact CD2-CG 3.93Å; L88-E125 WeakPolarHBondContact CD2-OE2 3.4Å; L88-I129 HydrophobicContact CD1-CD1 3.72Å; L88-I129 HydrophobicContact CD2-CD1 4.37Å; L88-I129 HydrophobicContact CG-CD1 4.21Å
89	P	97	Very high	97.4	Very high	90 Å²	90	61.3 Å²	61.3	58%	0.584	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	120.3	179	-25.4	35.1	0	0	0	111.6	R85 T87 R91	R85-P89 WeakPolarHBondContact O-CA 3.33Å; T87-P89 WeakPolarHBondContact O-CD 3.27Å; P89-R91 PolarHBondContact O-N 2.81Å
90	G	96.7	Very high	97.2	Very high	70 Å²	70	59.8 Å²	59.8	72%	0.722	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	2.9	-177.5	0	0	0	0	0	115.8	L88	L88-G90 PolarHBondContact O-N 3.12Å; L88-G90 VanDerWaalsContact O-N 3.11Å
91	R	98.3	Very high	97	Very high	32 Å²	32	63.8 Å²	63.8	12%	0.121	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	2.6	-175	-67.8	-176.9	-69	130.4	-9	114.3	L88 P89 R119 Q121 E125 L166	L88-R91 HydrophobicContact CB-CB 3.98Å; L88-R91 PolarHBondContact O-N 3Å; P89-R91 PolarHBondContact O-N 2.81Å; R91-R119 HydrophobicContact CB-CB 4.35Å; R91-R119 WeakPolarHBondContact CD-O 3.5Å; R91-R119 PolarHBondContact NH1-O 3.35Å; R91-R119 PolarHBondContact O-N 3.39Å; R91-Q121 VanDerWaalsContact CZ-OE1 3.32Å; R91-Q121 VanDerWaalsContact NH1-CG 3.32Å; R91-Q121 VanDerWaalsContact NH1-N 3.11Å; R91-E125 IonicContact CZ-OE1 2.94Å; R91-E125 IonicContact CZ-OE2 2.68Å; R91-E125 IonicContact NH1-OE1 3.61Å; R91-E125 IonicContact NH1-OE2 2.84Å; R91-E125 PolarHBondContact NH1-OE2 3.4Å; R91-E125 IonicContact NH2-OE1 2.87Å; R91-E125 PolarHBondContact NH2-OE1 3.36Å; R91-E125 IonicContact NH2-OE2 2.65Å; R91-E125 PolarHBondContact NH2-OE2 3.04Å; R91-L166 VanDerWaalsContact CD-CD1 3.44Å; R91-L166 HydrophobicContact CG-CD1 3.94Å
92	A	98.3	Very high	96.9	Very high	13 Å²	13	63 Å²	63	11%	0.107	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	104.1	163.4	0	0	0	0	0	109.8	F84 R85 L88 L118	F84-A92 HydrophobicContact CB-CB 3.93Å; R85-A92 HydrophobicContact CG-CB 4.18Å; L88-A92 HydrophobicContact CB-CB 4.37Å; L88-A92 PolarHBondContact O-N 3.28Å; A92-L118 HydrophobicContact CB-CD2 3.68Å
93	I	98.4	Very high	96.9	Very high	21 Å²	21	59.6 Å²	59.6	11%	0.108	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.2	-169.4	-49.4	-56.5	0	0	0	110	L98 V99 V116 L117	I93-L98 HydrophobicContact CG2-CB 3.67Å; I93-L98 HydrophobicContact CG2-CD1 3.96Å; I93-L98 HydrophobicContact CG2-CG 4.47Å; I93-V99 HydrophobicContact CG2-CG2 4.11Å; I93-V116 WeakPolarHBondContact O-CA 3.32Å; I93-L117 HydrophobicContact CB-CB 4.18Å; I93-L117 PolarHBondContact N-O 3.27Å; I93-L117 PolarHBondContact O-N 3.29Å
94	T	97.7	Very high	96.8	Very high	50 Å²	50	60.4 Å²	60.4	31%	0.307	34%	0.336	S	S	.	.			trans	-128.9	4.7	177.9	60.2	0	0	0	0	112.8	L81 R85 P96 E115 V116	L81-T94 HydrophobicContact CD1-CG2 4.28Å; L81-T94 HydrophobicContact CD2-CG2 3.64Å; R85-T94 PolarHBondContact NH2-OG1 2.94Å; T94-P96 WeakPolarHBondContact O-CD 3.49Å; T94-E115 WeakPolarHBondContact CA-O 3.33Å; T94-V116 HydrophobicContact CG2-CG2 4.36Å
95	D	96.9	Very high	96.7	Very high	74 Å²	74	60.6 Å²	60.6	40%	0.396	34%	0.337	S	S	.	.			trans	-69.4	118.4	173.1	-175.9	-27.9	0	0	0	108.6	D97 L98 V99	D95-D97 PolarHBondContact O-N 3.3Å; D95-D97 PolarHBondContact OD1-N 3.29Å; D95-L98 HydrophobicContact CB-CB 4.18Å; D95-L98 HydrophobicContact CB-CD1 3.98Å; D95-L98 HydrophobicContact CB-CG 4Å; D95-L98 PolarHBondContact O-N 3.33Å; D95-L98 VanDerWaalsContact O-N 3.11Å; D95-V99 WeakPolarHBondContact O-CG2 3.16Å; D95-V99 PolarHBondContact O-N 3.44Å
96	P	94.6	Very high	96.4	Very high	96 Å²	96	61.1 Å²	61.1	62%	0.623	34%	0.339	S	S	*	.	H	α-helix	trans	-53.6	-36.8	-177.4	-26.8	35.6	0	0	0	113.8	T94 L98 V99 Q100	T94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-L98 VanDerWaalsContact C-N 3.35Å; P96-L98 PolarHBondContact O-N 2.76Å; P96-V99 PolarHBondContact O-N 2.87Å; P96-Q100 WeakPolarHBondContact O-CB 3.3Å; P96-Q100 PolarHBondContact O-N 3.47Å
97	D	93.2	Very high	95.9	Very high	124 Å²	124	55 Å²	55	66%	0.663	32%	0.315	S	S	*	.	H	α-helix	trans	-69.7	-36.3	-177	-68.7	-19.6	0	0	0	111.1	D95	D95-D97 PolarHBondContact O-N 3.3Å; D95-D97 PolarHBondContact OD1-N 3.29Å
98	L	93.2	Very high	95.6	Very high	100 Å²	100	61.4 Å²	61.4	52%	0.524	34%	0.341	S	S	.	.	H	α-helix	trans	-76.7	-32.4	178.1	-61.1	-177.5	0	0	0	112.4	I93 D95 P96	I93-L98 HydrophobicContact CG2-CB 3.67Å; I93-L98 HydrophobicContact CG2-CD1 3.96Å; I93-L98 HydrophobicContact CG2-CG 4.47Å; D95-L98 HydrophobicContact CB-CB 4.18Å; D95-L98 HydrophobicContact CB-CD1 3.98Å; D95-L98 HydrophobicContact CB-CG 4Å; D95-L98 PolarHBondContact O-N 3.33Å; D95-L98 VanDerWaalsContact O-N 3.11Å; P96-L98 VanDerWaalsContact C-N 3.35Å; P96-L98 PolarHBondContact O-N 2.76Å
99	V	96.5	Very high	95.1	Very high	3 Å²	3	64 Å²	64	2%	0.018	36%	0.358	C	S	.	.	H	α-helix	trans	-80.3	-28.8	-179.5	-178.3	0	0	0	0	111.8	I93 D95 P96 S101 S102 N103 S114 L117 I161	I93-V99 HydrophobicContact CG2-CG2 4.11Å; D95-V99 WeakPolarHBondContact O-CG2 3.16Å; D95-V99 PolarHBondContact O-N 3.44Å; P96-V99 PolarHBondContact O-N 2.87Å; V99-S101 VanDerWaalsContact C-N 3.31Å; V99-S101 PolarHBondContact O-N 2.88Å; V99-S102 PolarHBondContact O-N 3.46Å; V99-N103 PolarHBondContact O-N 2.85Å; V99-S114 VanDerWaalsContact CG1-O 3.26Å; V99-S114 WeakPolarHBondContact CG1-O 3.14Å; V99-L117 HydrophobicContact CG2-CB 4.09Å; V99-I161 HydrophobicContact CG1-CD1 4.42Å
100	Q	93.9	Very high	94.8	Very high	96 Å²	96	60.8 Å²	60.8	45%	0.449	34%	0.337	S	S	.	.	H	α-helix	trans	-52.5	-45	-174.1	-178.4	175.4	-1.7	0	0	113.5	P96 S102 N103	P96-Q100 WeakPolarHBondContact O-CB 3.3Å; P96-Q100 PolarHBondContact O-N 3.47Å; Q100-S102 PolarHBondContact O-N 2.83Å; Q100-N103 PolarHBondContact O-N 3.27Å; Q100-N103 VanDerWaalsContact O-N 3.1Å
101	S	94.1	Very high	94.8	Very high	84 Å²	84	65.2 Å²	65.2	59%	0.587	33%	0.332	S	S	*	.	H	α-helix	trans	-62	-28.6	-178.9	64.1	0	0	0	0	113.6	V99	V99-S101 VanDerWaalsContact C-N 3.31Å; V99-S101 PolarHBondContact O-N 2.88Å
102	S	97.3	Very high	94.7	Very high	14 Å²	14	63.8 Å²	63.8	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-85.3	-11	-179.9	-57	0	0	0	0	112.7	V99 Q100 Q143	V99-S102 PolarHBondContact O-N 3.46Å; Q100-S102 PolarHBondContact O-N 2.83Å; S102-Q143 PolarHBondContact O-NE2 2.89Å
103	N	98.3	Very high	94.7	Very high	9 Å²	9	67.2 Å²	67.2	5%	0.048	35%	0.351	C	S	.	.	H	α-helix	trans	-87.9	-15.9	175.9	-87.3	-58.9	0	0	0	113.4	V99 Q100 R111 G112 S113 S114	V99-N103 PolarHBondContact O-N 2.85Å; Q100-N103 PolarHBondContact O-N 3.27Å; Q100-N103 VanDerWaalsContact O-N 3.1Å; N103-R111 CarbonylContact O-C 3.6Å; N103-R111 VanDerWaalsContact O-CA 3.28Å; N103-R111 WeakPolarHBondContact O-CA 3.37Å; N103-G112 PolarHBondContact O-N 3.06Å; N103-G112 VanDerWaalsContact OD1-C 3.26Å; N103-S113 PolarHBondContact OD1-N 2.93Å; N103-S114 PolarHBondContact ND2-O 2.89Å; N103-S114 WeakPolarHBondContact OD1-CB 3.25Å; N103-S114 PolarHBondContact OD1-N 3.45Å
104	E	97.1	Very high	94.7	Very high	75 Å²	75	66.6 Å²	66.6	35%	0.35	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-105	131.6	-177	-169.9	169.4	-128.8	0	0	111.1	K108 N146	E104-K108 HydrophobicContact CG-CB 4.27Å; E104-K108 HydrophobicContact CG-CG 4.19Å; E104-N146 PolarHBondContact O-ND2 3.46Å
105	D	95.6	Very high	94.7	Very high	3 Å²	3	71 Å²	71	2%	0.016	37%	0.365	C	S	.	.			trans	-73.1	163.5	179	85	-46	0	0	0	111.8	L107 K108 S109 V110 V154 K495	D105-L107 PolarHBondContact O-N 2.92Å; D105-L107 VanDerWaalsContact O-N 3.09Å; D105-K108 PolarHBondContact O-N 2.93Å; D105-K108 PolarHBondContact OD1-N 3.16Å; D105-K108 VanDerWaalsContact OD1-N 3.12Å; D105-S109 PolarHBondContact OD1-N 3.13Å; D105-S109 PolarHBondContact OD1-OG 2.93Å; D105-S109 VanDerWaalsContact OD1-OG 3.12Å; D105-S109 PolarHBondContact OD2-OG 3.01Å; D105-S109 VanDerWaalsContact OD2-OG 3.06Å; D105-V110 HydrophobicContact CB-CB 4.33Å; D105-V110 PolarHBondContact N-O 2.76Å; D105-V110 PolarHBondContact OD1-N 2.84Å; D105-V154 HydrophobicContact CB-CG1 4.23Å; D105-V154 HydrophobicContact CB-CG2 3.92Å; D105-K495 IonicContact OD2-NZ 3.25Å; D105-K495 PolarHBondContact OD2-NZ 2.92Å
106	W	92.8	Very high	94.8	Very high	130 Å²	130	67.7 Å²	67.7	49%	0.492	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-33.5	-178.2	-169.2	87.2	0	0	0	113.4	L149	W106-L149 HydrophobicContact CD2-CD2 4.12Å; W106-L149 HydrophobicContact CE3-CD2 3.45Å; W106-L149 VanDerWaalsContact CE3-CD2 3.45Å; W106-L149 HydrophobicContact CZ3-CD2 4.02Å
107	L	88.9	Confident	95	Very high	51 Å²	51	63.7 Å²	63.7	27%	0.267	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.5	178.6	-67.2	175.5	0	0	0	114.2	D105 S109 L149 K415	D105-L107 PolarHBondContact O-N 2.92Å; D105-L107 VanDerWaalsContact O-N 3.09Å; L107-S109 PolarHBondContact O-N 3.09Å; L107-L149 HydrophobicContact CD1-CB 4.24Å; L107-L149 HydrophobicContact CD1-CD2 4.2Å; L107-L149 HydrophobicContact CD2-CD2 4.24Å; L107-L149 HydrophobicContact CG-CD2 3.99Å; L107-K415 HydrophobicContact CD1-CD 4.37Å; L107-K415 HydrophobicContact CD2-CD 4.03Å
108	K	90.8	Very high	95.3	Very high	155 Å²	155	57.8 Å²	57.8	67%	0.674	29%	0.289	S	S	*	.	S	Bend	trans	52.3	37.8	-177	-52.8	-176.6	-179.9	-178.9	0	113.4	E104 D105	E104-K108 HydrophobicContact CG-CB 4.27Å; E104-K108 HydrophobicContact CG-CG 4.19Å; D105-K108 PolarHBondContact O-N 2.93Å; D105-K108 PolarHBondContact OD1-N 3.16Å; D105-K108 VanDerWaalsContact OD1-N 3.12Å
109	S	87.3	Confident	95.5	Very high	53 Å²	53	56.7 Å²	56.7	37%	0.371	28%	0.278	S	S	.	.			trans	-115.8	-19.5	-173.9	65.3	0	0	0	0	112.8	D105 L107 K495	D105-S109 PolarHBondContact OD1-N 3.13Å; D105-S109 PolarHBondContact OD1-OG 2.93Å; D105-S109 VanDerWaalsContact OD1-OG 3.12Å; D105-S109 PolarHBondContact OD2-OG 3.01Å; D105-S109 VanDerWaalsContact OD2-OG 3.06Å; L107-S109 PolarHBondContact O-N 3.09Å; S109-K495 VanDerWaalsContact OG-CE 3.26Å; S109-K495 WeakPolarHBondContact OG-CE 3.43Å; S109-K495 PolarHBondContact OG-NZ 2.7Å
110	V	91.9	Very high	95.6	Very high	23 Å²	23	56.5 Å²	56.5	14%	0.139	28%	0.277	C	S	.	.			trans	-128.8	131.6	175.1	-176.3	0	0	0	0	107.8	D105 V154 L494	D105-V110 HydrophobicContact CB-CB 4.33Å; D105-V110 PolarHBondContact N-O 2.76Å; D105-V110 PolarHBondContact OD1-N 2.84Å; V110-V154 HydrophobicContact CB-CG2 4.12Å; V110-V154 HydrophobicContact CG1-CG2 3.79Å; V110-L494 HydrophobicContact CG1-CD2 3.88Å; V110-L494 HydrophobicContact CG2-CD2 4.36Å
111	R	95.6	Very high	95.9	Very high	163 Å²	163	56.1 Å²	56.1	62%	0.615	28%	0.275	S	S	*	.	B	Isolated β-bridge	trans	-133.4	120.7	177.5	-176.3	177.4	176.9	-178.1	2	110.3	N103	N103-R111 CarbonylContact O-C 3.6Å; N103-R111 VanDerWaalsContact O-CA 3.28Å; N103-R111 WeakPolarHBondContact O-CA 3.37Å
112	G	96.9	Very high	96.1	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.031	26%	0.263	C	S	.	.			trans	-81.2	-177.2	171.8	0	0	0	0	0	113.1	N103 P155	N103-G112 PolarHBondContact O-N 3.06Å; N103-G112 VanDerWaalsContact OD1-C 3.26Å; G112-P155 WeakPolarHBondContact CA-O 3.46Å; G112-P155 PolarHBondContact N-O 3.48Å
113	S	97.3	Very high	96.2	Very high	85 Å²	85	54.3 Å²	54.3	59%	0.594	26%	0.261	S	S	*	.			trans	-138.3	35	179.3	-60.1	0	0	0	0	111.4	N103 Y157	N103-S113 PolarHBondContact OD1-N 2.93Å; S113-Y157 CarbonylContact C-O 3.58Å; S113-Y157 VanDerWaalsContact CA-O 3.31Å; S113-Y157 WeakPolarHBondContact CA-O 3.17Å; S113-Y157 PolarHBondContact N-O 3.42Å
114	S	98.6	Very high	96.2	Very high	7 Å²	7	59.4 Å²	59.4	5%	0.049	28%	0.284	C	S	.	.			trans	-66.9	139.5	173.9	-170.9	0	0	0	0	110.9	V99 N103 V116 Y157 E159	V99-S114 VanDerWaalsContact CG1-O 3.26Å; V99-S114 WeakPolarHBondContact CG1-O 3.14Å; N103-S114 PolarHBondContact ND2-O 2.89Å; N103-S114 WeakPolarHBondContact OD1-CB 3.25Å; N103-S114 PolarHBondContact OD1-N 3.45Å; S114-V116 PolarHBondContact OG-N 3.12Å; S114-V116 PolarHBondContact OG-O 3.39Å; S114-Y157 PolarHBondContact N-O 2.66Å; S114-E159 WeakPolarHBondContact CB-O 3.36Å; S114-E159 PolarHBondContact OG-O 3.2Å
115	E	98.2	Very high	96.3	Very high	143 Å²	143	57.1 Å²	57.1	67%	0.668	27%	0.273	S	S	*	.			trans	-103.3	-3.8	177.3	-59.8	179.5	152.4	0	0	111.9	T94	T94-E115 WeakPolarHBondContact CA-O 3.33Å
116	V	98.7	Very high	96.5	Very high	4 Å²	4	57 Å²	57	2%	0.024	27%	0.273	C	S	.	.			trans	-136.1	122.1	-172.4	-171.8	0	0	0	0	111.2	V76 L81 I93 T94 S114 L118 I160 I161	V76-V116 HydrophobicContact CB-CG2 4.45Å; V76-V116 HydrophobicContact CG1-CG2 3.98Å; V76-V116 HydrophobicContact CG2-CG2 4.14Å; L81-V116 HydrophobicContact CD2-CG1 4.32Å; L81-V116 HydrophobicContact CD2-CG2 3.68Å; I93-V116 WeakPolarHBondContact O-CA 3.32Å; T94-V116 HydrophobicContact CG2-CG2 4.36Å; S114-V116 PolarHBondContact OG-N 3.12Å; S114-V116 PolarHBondContact OG-O 3.39Å; V116-L118 HydrophobicContact CG1-CD2 3.6Å; V116-L118 HydrophobicContact CG1-CG 4.07Å; V116-I160 HydrophobicContact CB-CG1 4.48Å; V116-I160 HydrophobicContact CB-CG2 4.43Å; V116-I160 HydrophobicContact CG1-CG2 4.26Å; V116-I161 PolarHBondContact O-N 2.96Å
117	L	98.8	Very high	96.8	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.1	171	168.1	66.1	0	0	0	109.9	I93 V99 R119 I161	I93-L117 HydrophobicContact CB-CB 4.18Å; I93-L117 PolarHBondContact N-O 3.27Å; I93-L117 PolarHBondContact O-N 3.29Å; V99-L117 HydrophobicContact CG2-CB 4.09Å; L117-R119 HydrophobicContact CD1-CG 4.44Å; L117-R119 HydrophobicContact CG-CG 4.19Å; L117-I161 HydrophobicContact CD1-CB 3.86Å; L117-I161 HydrophobicContact CD1-CG2 3.5Å
118	L	98.9	Very high	97.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131	178.2	-55.6	-175.7	0	0	0	110.1	F84 L88 A92 V116 P120 I129 I160 I161 S163	F84-L118 HydrophobicContact CB-CD2 3.81Å; F84-L118 HydrophobicContact CD1-CD1 3.62Å; F84-L118 HydrophobicContact CD1-CD2 4.3Å; F84-L118 HydrophobicContact CD2-CD1 4.37Å; F84-L118 HydrophobicContact CD2-CD2 4.27Å; F84-L118 HydrophobicContact CE1-CD1 3.75Å; F84-L118 HydrophobicContact CE2-CD1 4.47Å; F84-L118 HydrophobicContact CG-CD1 3.98Å; F84-L118 HydrophobicContact CG-CD2 3.88Å; F84-L118 HydrophobicContact CZ-CD1 4.18Å; L88-L118 HydrophobicContact CD1-CB 3.8Å; L88-L118 HydrophobicContact CD1-CD2 4.2Å; L88-L118 HydrophobicContact CD1-CG 4.45Å; A92-L118 HydrophobicContact CB-CD2 3.68Å; V116-L118 HydrophobicContact CG1-CD2 3.6Å; V116-L118 HydrophobicContact CG1-CG 4.07Å; L118-P120 WeakPolarHBondContact O-CD 3.38Å; L118-I129 HydrophobicContact CB-CD1 4.49Å; L118-I129 HydrophobicContact CD1-CD1 4.24Å; L118-I129 HydrophobicContact CD1-CG1 4.25Å; L118-I129 HydrophobicContact CD1-CG2 3.6Å; L118-I160 HydrophobicContact CD1-CG2 3.6Å; L118-I160 HydrophobicContact CG-CG2 3.73Å; L118-I161 PolarHBondContact N-O 3.47Å; L118-S163 PolarHBondContact O-N 3.32Å
119	R	98.8	Very high	97.6	Very high	77 Å²	77	47.1 Å²	47.1	29%	0.291	24%	0.236	S	C	.	.			trans	-121.9	75.2	-178.6	-58.6	-176.5	-64.8	173	2.2	111.8	R91 L117 L166	R91-R119 HydrophobicContact CB-CB 4.35Å; R91-R119 WeakPolarHBondContact CD-O 3.5Å; R91-R119 PolarHBondContact NH1-O 3.35Å; R91-R119 PolarHBondContact O-N 3.39Å; L117-R119 HydrophobicContact CD1-CG 4.44Å; L117-R119 HydrophobicContact CG-CG 4.19Å; R119-L166 HydrophobicContact CB-CD1 3.71Å; R119-L166 HydrophobicContact CB-CG 4.09Å
120	P	98.9	Very high	98.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.			trans	-62.7	158.1	174.6	27.4	-35.6	0	0	0	112.4	L88 L118 E125 V126 I129 L162 S163 M167	L88-P120 HydrophobicContact CD2-CB 4.31Å; L118-P120 WeakPolarHBondContact O-CD 3.38Å; P120-E125 VanDerWaalsContact CA-OE2 3.24Å; P120-E125 WeakPolarHBondContact CA-OE2 3.44Å; P120-E125 HydrophobicContact CB-CB 3.79Å; P120-V126 HydrophobicContact CB-CG2 3.8Å; P120-V126 HydrophobicContact CG-CG2 3.58Å; P120-I129 HydrophobicContact CB-CD1 4.27Å; P120-I129 HydrophobicContact CG-CD1 4.41Å; P120-L162 HydrophobicContact CG-CD2 4.24Å; P120-L162 HydrophobicContact CG-CG 4.47Å; P120-S163 WeakPolarHBondContact CD-O 3.29Å; P120-M167 HydrophobicContact CG-SD 4.37Å; P120-M167 VanDerWaalsContact O-CG 3.28Å; P120-M167 WeakPolarHBondContact O-CG 3.31Å
121	Q	98.8	Very high	98.5	Very high	87 Å²	87	46.3 Å²	46.3	41%	0.407	23%	0.232	S	C	.	.	S	Bend	trans	-116.8	-19.5	176.7	-82.3	176	-26.5	0	0	111.6	R91 E125 L166 Q183	R91-Q121 VanDerWaalsContact CZ-OE1 3.32Å; R91-Q121 VanDerWaalsContact NH1-CG 3.32Å; R91-Q121 VanDerWaalsContact NH1-N 3.11Å; Q121-E125 PolarHBondContact N-OE2 3.44Å; Q121-L166 HydrophobicContact CG-CB 3.66Å; Q121-L166 HydrophobicContact CG-CD1 4.48Å; Q121-Q183 PolarHBondContact O-NE2 3.43Å
122	T	98.9	Very high	98.7	Very high	52 Å²	52	40.6 Å²	40.6	32%	0.319	21%	0.21	S	C	.	.	S	Bend	trans	-131.1	156.3	-176.2	69.6	0	0	0	0	111.7	Q124 E125 V126	T122-Q124 PolarHBondContact O-N 2.83Å; T122-E125 PolarHBondContact O-N 3.43Å; T122-E125 WeakPolarHBondContact OG1-CG 3.37Å; T122-E125 PolarHBondContact OG1-N 3.13Å; T122-V126 PolarHBondContact O-N 3.44Å
123	T	98.9	Very high	98.8	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-36.6	174.7	-55.8	0	0	0	0	111.6	E125 V126 S127 E241 V243 V249 T280	T123-E125 PolarHBondContact O-N 3.4Å; T123-V126 WeakPolarHBondContact O-CB 3.27Å; T123-V126 PolarHBondContact O-N 3.38Å; T123-S127 WeakPolarHBondContact O-CB 3.11Å; T123-S127 PolarHBondContact O-N 3.39Å; T123-E241 WeakPolarHBondContact CB-OE2 3.42Å; T123-E241 HydrophobicContact CG2-CG 4.1Å; T123-E241 WeakPolarHBondContact CG2-OE2 3.38Å; T123-E241 PolarHBondContact OG1-OE2 2.89Å; T123-V243 HydrophobicContact CG2-CG2 3.71Å; T123-V249 HydrophobicContact CG2-CG1 3.81Å; T123-V249 HydrophobicContact CG2-CG2 4.01Å; T123-T280 HydrophobicContact CG2-CG2 4.23Å; T123-T280 WeakPolarHBondContact OG1-CB 3.23Å; T123-T280 PolarHBondContact OG1-OG1 3.31Å
124	Q	98.9	Very high	98.8	Very high	115 Å²	115	38.4 Å²	38.4	54%	0.537	19%	0.19	S	C	.	.	H	α-helix	trans	-65	-37.5	178	-72.3	69	28.3	0	0	112.1	T122 S127 Q128	T122-Q124 PolarHBondContact O-N 2.83Å; Q124-S127 WeakPolarHBondContact O-CB 3.47Å; Q124-S127 PolarHBondContact O-N 3.06Å; Q124-Q128 WeakPolarHBondContact O-CG 3.47Å; Q124-Q128 PolarHBondContact O-N 3.2Å
125	E	98.9	Very high	98.8	Very high	27 Å²	27	41.9 Å²	41.9	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-43	173.1	-74.7	171.3	-180	0	0	111.4	L88 R91 P120 Q121 T122 T123 S127 Q128 I129	L88-E125 HydrophobicContact CD2-CB 3.99Å; L88-E125 HydrophobicContact CD2-CG 3.93Å; L88-E125 WeakPolarHBondContact CD2-OE2 3.4Å; R91-E125 IonicContact CZ-OE1 2.94Å; R91-E125 IonicContact CZ-OE2 2.68Å; R91-E125 IonicContact NH1-OE1 3.61Å; R91-E125 IonicContact NH1-OE2 2.84Å; R91-E125 PolarHBondContact NH1-OE2 3.4Å; R91-E125 IonicContact NH2-OE1 2.87Å; R91-E125 PolarHBondContact NH2-OE1 3.36Å; R91-E125 IonicContact NH2-OE2 2.65Å; R91-E125 PolarHBondContact NH2-OE2 3.04Å; P120-E125 VanDerWaalsContact CA-OE2 3.24Å; P120-E125 WeakPolarHBondContact CA-OE2 3.44Å; P120-E125 HydrophobicContact CB-CB 3.79Å; Q121-E125 PolarHBondContact N-OE2 3.44Å; T122-E125 PolarHBondContact O-N 3.43Å; T122-E125 WeakPolarHBondContact OG1-CG 3.37Å; T122-E125 PolarHBondContact OG1-N 3.13Å; T123-E125 PolarHBondContact O-N 3.4Å; E125-S127 VanDerWaalsContact C-N 3.34Å; E125-S127 PolarHBondContact O-N 3.24Å; E125-Q128 PolarHBondContact O-N 3.35Å; E125-I129 WeakPolarHBondContact O-CB 3.14Å; E125-I129 VanDerWaalsContact O-CD1 3.27Å; E125-I129 WeakPolarHBondContact O-CD1 3.26Å; E125-I129 WeakPolarHBondContact O-CG1 3.34Å; E125-I129 PolarHBondContact O-N 2.97Å
126	V	98.9	Very high	98.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-45.3	174.7	179.5	0	0	0	0	110.8	P120 T122 T123 Q128 I129 L130 L162 M167 V243 V278 T280	P120-V126 HydrophobicContact CB-CG2 3.8Å; P120-V126 HydrophobicContact CG-CG2 3.58Å; T122-V126 PolarHBondContact O-N 3.44Å; T123-V126 WeakPolarHBondContact O-CB 3.27Å; T123-V126 PolarHBondContact O-N 3.38Å; V126-Q128 PolarHBondContact O-N 2.95Å; V126-I129 PolarHBondContact O-N 2.87Å; V126-L130 HydrophobicContact CG1-CD1 4.06Å; V126-L130 HydrophobicContact CG1-CG 4.32Å; V126-L130 WeakPolarHBondContact O-CG 3.36Å; V126-L130 PolarHBondContact O-N 2.82Å; V126-L162 HydrophobicContact CG1-CD1 4.3Å; V126-L162 HydrophobicContact CG1-CD2 4.49Å; V126-M167 HydrophobicContact CG2-CE 4.38Å; V126-M167 HydrophobicContact CG2-SD 3.76Å; V126-V243 HydrophobicContact CB-CG2 4.07Å; V126-V243 HydrophobicContact CG1-CB 3.82Å; V126-V243 HydrophobicContact CG1-CG1 4.16Å; V126-V243 HydrophobicContact CG1-CG2 3.78Å; V126-V278 HydrophobicContact CG1-CB 4.11Å; V126-V278 HydrophobicContact CG1-CG1 3.98Å; V126-T280 HydrophobicContact CB-CG2 4.09Å; V126-T280 HydrophobicContact CG1-CG2 4.09Å; V126-T280 HydrophobicContact CG2-CG2 3.91Å
127	S	98.9	Very high	98.9	Very high	29 Å²	29	40.9 Å²	40.9	20%	0.203	21%	0.207	C	C	.	.	H	α-helix	trans	-56.4	-48.6	175.5	172.7	0	0	0	0	112.6	T123 Q124 E125 I129 L130 S131 G247	T123-S127 WeakPolarHBondContact O-CB 3.11Å; T123-S127 PolarHBondContact O-N 3.39Å; Q124-S127 WeakPolarHBondContact O-CB 3.47Å; Q124-S127 PolarHBondContact O-N 3.06Å; E125-S127 VanDerWaalsContact C-N 3.34Å; E125-S127 PolarHBondContact O-N 3.24Å; S127-I129 PolarHBondContact O-N 3.47Å; S127-L130 PolarHBondContact O-N 2.82Å; S127-S131 VanDerWaalsContact O-CB 3.3Å; S127-S131 WeakPolarHBondContact O-CB 3.45Å; S127-S131 PolarHBondContact O-N 2.84Å; S127-G247 WeakPolarHBondContact CB-O 3.38Å; S127-G247 WeakPolarHBondContact O-CA 3.38Å; S127-G247 PolarHBondContact OG-O 3.14Å
128	Q	98.9	Very high	98.9	Very high	101 Å²	101	40.5 Å²	40.5	47%	0.472	21%	0.205	S	C	.	.	H	α-helix	trans	-63.3	-41.3	178.1	-72.6	173.6	-6.3	0	0	112.3	T87 Q124 E125 V126 Y132	T87-Q128 HydrophobicContact CG2-CB 4.22Å; Q124-Q128 WeakPolarHBondContact O-CG 3.47Å; Q124-Q128 PolarHBondContact O-N 3.2Å; E125-Q128 PolarHBondContact O-N 3.35Å; V126-Q128 PolarHBondContact O-N 2.95Å; Q128-Y132 WeakPolarHBondContact O-CB 3.38Å; Q128-Y132 PolarHBondContact O-N 2.97Å; Q128-Y132 VanDerWaalsContact O-N 3.08Å
129	I	98.9	Very high	98.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-51.2	177.3	-68.4	159.4	0	0	0	110.7	F84 L88 L118 P120 E125 V126 S127 Y132 C133 L162	F84-I129 HydrophobicContact CD1-CG1 4.46Å; F84-I129 HydrophobicContact CE1-CG2 4.11Å; L88-I129 HydrophobicContact CD1-CD1 3.72Å; L88-I129 HydrophobicContact CD2-CD1 4.37Å; L88-I129 HydrophobicContact CG-CD1 4.21Å; L118-I129 HydrophobicContact CB-CD1 4.49Å; L118-I129 HydrophobicContact CD1-CD1 4.24Å; L118-I129 HydrophobicContact CD1-CG1 4.25Å; L118-I129 HydrophobicContact CD1-CG2 3.6Å; P120-I129 HydrophobicContact CB-CD1 4.27Å; P120-I129 HydrophobicContact CG-CD1 4.41Å; E125-I129 WeakPolarHBondContact O-CB 3.14Å; E125-I129 VanDerWaalsContact O-CD1 3.27Å; E125-I129 WeakPolarHBondContact O-CD1 3.26Å; E125-I129 WeakPolarHBondContact O-CG1 3.34Å; E125-I129 PolarHBondContact O-N 2.97Å; V126-I129 PolarHBondContact O-N 2.87Å; S127-I129 PolarHBondContact O-N 3.47Å; I129-Y132 PolarHBondContact O-N 3.15Å; I129-C133 WeakPolarHBondContact O-CB 3.36Å; I129-C133 PolarHBondContact O-N 2.69Å; I129-C133 PolarHBondContact O-SG 3.26Å; I129-L162 HydrophobicContact CB-CD1 4.46Å; I129-L162 HydrophobicContact CG2-CD1 3.82Å
130	L	98.9	Very high	98.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-40.8	-177.5	-69.9	-174.3	0	0	0	111.8	V126 S127 Y132 C133 H134 V140 L162 V243 L244 V278 L525	V126-L130 HydrophobicContact CG1-CD1 4.06Å; V126-L130 HydrophobicContact CG1-CG 4.32Å; V126-L130 WeakPolarHBondContact O-CG 3.36Å; V126-L130 PolarHBondContact O-N 2.82Å; S127-L130 PolarHBondContact O-N 2.82Å; L130-Y132 VanDerWaalsContact C-N 3.31Å; L130-Y132 PolarHBondContact O-N 3.07Å; L130-C133 PolarHBondContact O-N 3.21Å; L130-H134 VanDerWaalsContact O-CB 3.24Å; L130-H134 WeakPolarHBondContact O-CB 3.39Å; L130-H134 PolarHBondContact O-N 3.04Å; L130-V140 HydrophobicContact CD2-CB 4.31Å; L130-V140 HydrophobicContact CD2-CG1 4.08Å; L130-V140 HydrophobicContact CD2-CG2 4.06Å; L130-L162 HydrophobicContact CD2-CD1 4.12Å; L130-L162 HydrophobicContact CG-CD1 4.43Å; L130-V243 HydrophobicContact CB-CG1 4.46Å; L130-V243 HydrophobicContact CD1-CB 4.03Å; L130-V243 HydrophobicContact CD1-CG1 3.72Å; L130-L244 WeakPolarHBondContact CD1-O 3.33Å; L130-V278 HydrophobicContact CD1-CB 4.25Å; L130-V278 HydrophobicContact CD1-CG2 3.81Å; L130-L525 HydrophobicContact CD1-CD2 4.32Å; L130-L525 HydrophobicContact CD2-CD2 3.73Å
131	S	98.9	Very high	98.9	Very high	59 Å²	59	37.1 Å²	37.1	41%	0.413	19%	0.194	S	C	.	.	H	α-helix	trans	-59.3	-42.7	174.5	-164.4	0	0	0	0	112.1	S127 H134 S135 D246	S127-S131 VanDerWaalsContact O-CB 3.3Å; S127-S131 WeakPolarHBondContact O-CB 3.45Å; S127-S131 PolarHBondContact O-N 2.84Å; S131-H134 PolarHBondContact O-N 3.2Å; S131-S135 PolarHBondContact O-N 3.19Å; S131-D246 VanDerWaalsContact CA-O 3.29Å; S131-D246 WeakPolarHBondContact CA-O 3.38Å; S131-D246 WeakPolarHBondContact CB-O 3.41Å; S131-D246 PolarHBondContact OG-O 3.05Å
132	Y	98.9	Very high	98.9	Very high	42 Å²	42	34.1 Å²	34.1	17%	0.165	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-51.5	175.3	-172.9	-96.5	0	0	0	112	D80 F83 F84 Q128 I129 L130 H134 S135 R136 L138	D80-Y132 WeakPolarHBondContact CA-OH 3.39Å; D80-Y132 HydrophobicContact CB-CE1 3.96Å; D80-Y132 WeakPolarHBondContact OD1-CE1 3.39Å; D80-Y132 PolarHBondContact OD1-OH 3.1Å; F83-Y132 HydrophobicContact CB-CD2 4.42Å; F83-Y132 HydrophobicContact CB-CE1 4.22Å; F83-Y132 HydrophobicContact CB-CE2 3.9Å; F83-Y132 AromaticContact CD1-CD1 3.57Å; F83-Y132 HydrophobicContact CD1-CD1 3.57Å; F83-Y132 AromaticContact CD1-CD2 3.63Å; F83-Y132 HydrophobicContact CD1-CD2 3.63Å; F83-Y132 AromaticContact CD1-CE1 3.9Å; F83-Y132 HydrophobicContact CD1-CE1 3.9Å; F83-Y132 AromaticContact CD1-CE2 3.96Å; F83-Y132 HydrophobicContact CD1-CE2 3.96Å; F83-Y132 AromaticContact CD1-CG 3.42Å; F83-Y132 HydrophobicContact CD1-CG 3.42Å; F83-Y132 VanDerWaalsContact CD1-CG 3.42Å; F83-Y132 AromaticContact CD2-CD2 3.68Å; F83-Y132 HydrophobicContact CD2-CD2 3.68Å; F83-Y132 AromaticContact CD2-CE2 3.78Å; F83-Y132 HydrophobicContact CD2-CE2 3.78Å; F83-Y132 HydrophobicContact CD2-CG 4.31Å; F83-Y132 AromaticContact CE1-CD1 3.9Å; F83-Y132 HydrophobicContact CE1-CD1 3.9Å; F83-Y132 AromaticContact CE1-CD2 3.73Å; F83-Y132 HydrophobicContact CE1-CD2 3.73Å; F83-Y132 HydrophobicContact CE1-CE2 4.5Å; F83-Y132 AromaticContact CE1-CG 3.37Å; F83-Y132 HydrophobicContact CE1-CG 3.37Å; F83-Y132 AromaticContact CE2-CD2 3.76Å; F83-Y132 HydrophobicContact CE2-CD2 3.76Å; F83-Y132 HydrophobicContact CE2-CE2 4.32Å; F83-Y132 HydrophobicContact CE2-CG 4.26Å; F83-Y132 HydrophobicContact CG-CD1 4.19Å; F83-Y132 AromaticContact CG-CD2 3.62Å; F83-Y132 HydrophobicContact CG-CD2 3.62Å; F83-Y132 HydrophobicContact CG-CE1 4.16Å; F83-Y132 AromaticContact CG-CE2 3.58Å; F83-Y132 HydrophobicContact CG-CE2 3.58Å; F83-Y132 AromaticContact CG-CG 3.93Å; F83-Y132 HydrophobicContact CG-CG 3.93Å; F83-Y132 AromaticContact CG-CZ 3.85Å; F83-Y132 AromaticContact CZ-CD2 3.79Å; F83-Y132 HydrophobicContact CZ-CD2 3.79Å; F83-Y132 AromaticContact CZ-CG 3.82Å; F83-Y132 HydrophobicContact CZ-CG 3.82Å; F84-Y132 AromaticContact CE1-CD1 3.92Å; F84-Y132 HydrophobicContact CE1-CD1 3.92Å; F84-Y132 AromaticContact CZ-CD1 3.83Å; F84-Y132 HydrophobicContact CZ-CD1 3.83Å; F84-Y132 HydrophobicContact CZ-CE1 4.19Å; Q128-Y132 WeakPolarHBondContact O-CB 3.38Å; Q128-Y132 PolarHBondContact O-N 2.97Å; Q128-Y132 VanDerWaalsContact O-N 3.08Å; I129-Y132 PolarHBondContact O-N 3.15Å; L130-Y132 VanDerWaalsContact C-N 3.31Å; L130-Y132 PolarHBondContact O-N 3.07Å; Y132-H134 VanDerWaalsContact C-N 3.27Å; Y132-H134 PolarHBondContact O-N 3.25Å; Y132-S135 PolarHBondContact O-N 2.79Å; Y132-S135 VanDerWaalsContact O-N 3.09Å; Y132-S135 PolarHBondContact O-OG 3.22Å; Y132-R136 HydrophobicContact CD1-CG 4.15Å; Y132-R136 HydrophobicContact CE1-CG 3.77Å; Y132-R136 HydrophobicContact CE2-CG 4.32Å; Y132-R136 WeakPolarHBondContact O-CB 3.25Å; Y132-R136 WeakPolarHBondContact O-CG 3.03Å; Y132-R136 PolarHBondContact O-N 2.87Å; Y132-L138 HydrophobicContact CE1-CD1 4.47Å
133	C	98.9	Very high	98.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.8	-40.2	177.5	-71.2	0	0	0	0	112	I129 L130 R136 N137 L138 V140 I524	I129-C133 WeakPolarHBondContact O-CB 3.36Å; I129-C133 PolarHBondContact O-N 2.69Å; I129-C133 PolarHBondContact O-SG 3.26Å; L130-C133 PolarHBondContact O-N 3.21Å; C133-R136 CarbonylContact O-C 3.18Å; C133-R136 PolarHBondContact O-N 2.88Å; C133-N137 WeakPolarHBondContact O-CA 3.32Å; C133-N137 PolarHBondContact O-N 2.83Å; C133-L138 HydrophobicContact CB-CB 4.15Å; C133-L138 PolarHBondContact O-N 2.86Å; C133-V140 HydrophobicContact CB-CG2 3.81Å; C133-I524 HydrophobicContact CB-CD1 4.38Å
134	H	98.9	Very high	98.9	Very high	42 Å²	42	32.5 Å²	32.5	19%	0.194	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-45.6	174.4	-179.5	-102.5	0	0	0	111.9	L130 S131 Y132 R136 N137 A245 K522 I524	L130-H134 VanDerWaalsContact O-CB 3.24Å; L130-H134 WeakPolarHBondContact O-CB 3.39Å; L130-H134 PolarHBondContact O-N 3.04Å; S131-H134 PolarHBondContact O-N 3.2Å; Y132-H134 VanDerWaalsContact C-N 3.27Å; Y132-H134 PolarHBondContact O-N 3.25Å; H134-R136 VanDerWaalsContact C-N 3.27Å; H134-R136 PolarHBondContact O-N 3Å; H134-N137 PolarHBondContact O-N 3.42Å; H134-A245 WeakPolarHBondContact CB-O 3.4Å; H134-K522 WeakPolarHBondContact NE2-CE 3.2Å; H134-K522 PolarHBondContact O-NZ 3.34Å; H134-I524 HydrophobicContact CB-CD1 3.89Å
135	S	98.8	Very high	98.9	Very high	81 Å²	81	28.2 Å²	28.2	57%	0.566	16%	0.161	S	C	*	.	H	α-helix	trans	-62.2	-35.9	176.4	79.2	0	0	0	0	112.5	S131 Y132	S131-S135 PolarHBondContact O-N 3.19Å; Y132-S135 PolarHBondContact O-N 2.79Å; Y132-S135 VanDerWaalsContact O-N 3.09Å; Y132-S135 PolarHBondContact O-OG 3.22Å
136	R	98.8	Very high	98.8	Very high	83 Å²	83	28.2 Å²	28.2	31%	0.313	16%	0.163	S	C	.	.	H	α-helix	trans	-91.3	-4	-177.6	-66.8	-69.2	-65.7	124.4	7.2	114.4	S74 D80 Y132 C133 H134 L138	S74-R136 WeakPolarHBondContact CB-O 3.46Å; S74-R136 PolarHBondContact OG-O 3.38Å; D80-R136 IonicContact OD1-CZ 3.34Å; D80-R136 IonicContact OD1-NE 3.78Å; D80-R136 PolarHBondContact OD1-NE 2.87Å; D80-R136 IonicContact OD1-NH2 2.75Å; D80-R136 IonicContact OD2-NE 3.5Å; D80-R136 IonicContact OD2-NH2 3.1Å; D80-R136 PolarHBondContact OD2-NH2 2.89Å; Y132-R136 HydrophobicContact CD1-CG 4.15Å; Y132-R136 HydrophobicContact CE1-CG 3.77Å; Y132-R136 HydrophobicContact CE2-CG 4.32Å; Y132-R136 WeakPolarHBondContact O-CB 3.25Å; Y132-R136 WeakPolarHBondContact O-CG 3.03Å; Y132-R136 PolarHBondContact O-N 2.87Å; C133-R136 CarbonylContact O-C 3.18Å; C133-R136 PolarHBondContact O-N 2.88Å; H134-R136 VanDerWaalsContact C-N 3.27Å; H134-R136 PolarHBondContact O-N 3Å; R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 HydrophobicContact CB-CD1 3.73Å; R136-L138 HydrophobicContact CB-CG 3.79Å; R136-L138 HydrophobicContact CG-CD1 4.43Å; R136-L138 PolarHBondContact O-N 3.39Å
137	N	98.8	Very high	98.7	Very high	43 Å²	43	29.8 Å²	29.8	23%	0.23	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	43.9	-172.9	-164.6	42.3	0	0	0	113.2	P72 F73 S74 C133 H134	P72-N137 PolarHBondContact O-ND2 2.9Å; F73-N137 WeakPolarHBondContact CA-O 3.28Å; S74-N137 PolarHBondContact N-O 2.79Å; C133-N137 WeakPolarHBondContact O-CA 3.32Å; C133-N137 PolarHBondContact O-N 2.83Å; H134-N137 PolarHBondContact O-N 3.42Å
138	L	98.9	Very high	98.6	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.016	18%	0.175	C	C	.	.			trans	-94.8	127.2	175.3	-64.8	167.5	0	0	0	109.2	V76 D80 Y132 C133 R136 I160	V76-L138 HydrophobicContact CG2-CD2 4.31Å; D80-L138 HydrophobicContact CB-CD1 4.35Å; Y132-L138 HydrophobicContact CE1-CD1 4.47Å; C133-L138 HydrophobicContact CB-CB 4.15Å; C133-L138 PolarHBondContact O-N 2.86Å; R136-L138 VanDerWaalsContact C-N 3.28Å; R136-L138 HydrophobicContact CB-CD1 3.73Å; R136-L138 HydrophobicContact CB-CG 3.79Å; R136-L138 HydrophobicContact CG-CD1 4.43Å; R136-L138 PolarHBondContact O-N 3.39Å; L138-I160 HydrophobicContact CB-CD1 4.03Å; L138-I160 HydrophobicContact CD1-CD1 4.07Å
139	A	98.9	Very high	98.4	Very high	7 Å²	7	26.5 Å²	26.5	6%	0.058	16%	0.161	C	C	.	.			trans	-72.2	146.1	175.7	0	0	0	0	0	111.7	F73 E159 I160 I524 P527	F73-A139 HydrophobicContact CB-CB 4.37Å; F73-A139 HydrophobicContact CD1-CB 4.12Å; F73-A139 HydrophobicContact CD2-CB 3.65Å; F73-A139 HydrophobicContact CE1-CB 4.34Å; F73-A139 HydrophobicContact CE2-CB 3.86Å; F73-A139 HydrophobicContact CG-CB 3.78Å; F73-A139 HydrophobicContact CZ-CB 4.23Å; A139-E159 HydrophobicContact CB-CB 4.07Å; A139-E159 HydrophobicContact CB-CG 3.6Å; A139-I160 PolarHBondContact O-N 2.86Å; A139-I524 CarbonylContact C-O 3.52Å; A139-I524 WeakPolarHBondContact CA-O 3.44Å; A139-P527 HydrophobicContact CB-CG 3.86Å
140	V	98.9	Very high	98.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132	-176.7	-179	0	0	0	0	109.4	L130 C133 P142 I160 L162 I524 L525 N526	L130-V140 HydrophobicContact CD2-CB 4.31Å; L130-V140 HydrophobicContact CD2-CG1 4.08Å; L130-V140 HydrophobicContact CD2-CG2 4.06Å; C133-V140 HydrophobicContact CB-CG2 3.81Å; V140-P142 WeakPolarHBondContact O-CD 3.37Å; V140-I160 CarbonylContact C-O 3.59Å; V140-I160 WeakPolarHBondContact CA-O 3.49Å; V140-L162 HydrophobicContact CG1-CB 3.66Å; V140-L162 HydrophobicContact CG1-CD1 4.1Å; V140-I524 PolarHBondContact N-O 2.98Å; V140-L525 HydrophobicContact CB-CD2 4.29Å; V140-N526 WeakPolarHBondContact O-CA 3.43Å; V140-N526 PolarHBondContact O-N 3.18Å
141	N	98.9	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	102.1	173	175.1	97.3	0	0	0	109.1	S153 V154 P155 E159 I160 L162 N526 K529	N141-S153 PolarHBondContact ND2-O 2.9Å; N141-V154 PolarHBondContact OD1-O 3.16Å; N141-P155 HydrophobicContact CB-CG 4.14Å; N141-E159 HydrophobicContact CB-CB 4.08Å; N141-I160 PolarHBondContact N-O 3.24Å; N141-L162 PolarHBondContact O-N 2.8Å; N141-N526 PolarHBondContact OD1-OD1 2.92Å; N141-N526 VanDerWaalsContact OD1-OD1 3.13Å; N141-K529 PolarHBondContact OD1-NZ 2.82Å
142	P	98.9	Very high	98.1	Very high	23 Å²	23	24.5 Å²	24.5	15%	0.149	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	135.4	173.9	-19.6	33.4	0	0	0	111	V140 L162 V278	V140-P142 WeakPolarHBondContact O-CD 3.37Å; P142-L162 CarbonylContact C-O 3.53Å; P142-L162 WeakPolarHBondContact CA-O 3.2Å; P142-V278 HydrophobicContact CB-CG2 4.18Å; P142-V278 HydrophobicContact CG-CG2 3.77Å
143	Q	98.9	Very high	98.1	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.042	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	121	-176.8	-170.1	177.3	90	0	0	111.9	S102 N146 S153 I161 L162 S163 T164	S102-Q143 PolarHBondContact O-NE2 2.89Å; Q143-N146 HydrophobicContact CG-CB 4.14Å; Q143-S153 WeakPolarHBondContact CG-O 3.33Å; Q143-S153 PolarHBondContact NE2-O 3.19Å; Q143-I161 HydrophobicContact CB-CG2 3.85Å; Q143-L162 PolarHBondContact N-O 2.88Å; Q143-S163 VanDerWaalsContact O-CA 3.27Å; Q143-S163 WeakPolarHBondContact O-CA 3.35Å; Q143-T164 PolarHBondContact O-N 2.92Å; Q143-T164 VanDerWaalsContact O-N 3.08Å; Q143-T164 PolarHBondContact O-OG1 3.14Å
144	G	98.6	Very high	98.1	Very high	18 Å²	18	23.4 Å²	23.4	19%	0.186	15%	0.147	C	C	.	.	S	Bend	trans	-87.6	-128.4	169.1	0	0	0	0	0	111.7	N146	G144-N146 PolarHBondContact O-N 3.16Å; G144-N146 VanDerWaalsContact O-N 3.1Å
145	G	98.3	Very high	98	Very high	25 Å²	25	21.4 Å²	21.4	26%	0.258	14%	0.138	S	C	.	.	S	Bend	trans	-69.3	1.2	177.4	0	0	0	0	0	116.7	T147 S211	G145-T147 VanDerWaalsContact C-N 3.29Å; G145-T147 WeakPolarHBondContact O-CG2 3.44Å; G145-T147 PolarHBondContact O-N 3.03Å; G145-S211 VanDerWaalsContact CA-O 3.23Å; G145-S211 WeakPolarHBondContact CA-O 3.34Å
146	N	98.3	Very high	98	Very high	28 Å²	28	18.4 Å²	18.4	15%	0.15	12%	0.116	C	C	.	.	S	Bend	trans	52.2	38.7	-176.3	-163.5	25.9	0	0	0	114.9	E104 Q143 G144 S153 V154	E104-N146 PolarHBondContact O-ND2 3.46Å; Q143-N146 HydrophobicContact CG-CB 4.14Å; G144-N146 PolarHBondContact O-N 3.16Å; G144-N146 VanDerWaalsContact O-N 3.1Å; N146-S153 WeakPolarHBondContact OD1-CB 3.29Å; N146-S153 PolarHBondContact OD1-OG 2.93Å; N146-V154 WeakPolarHBondContact OD1-CG1 3.12Å
147	T	96.9	Very high	98	Very high	33 Å²	33	17.7 Å²	17.7	20%	0.202	11%	0.114	C	C	.	.			trans	-102.5	5.2	179.8	60.9	0	0	0	0	113.6	G145 A208 C212	G145-T147 VanDerWaalsContact C-N 3.29Å; G145-T147 WeakPolarHBondContact O-CG2 3.44Å; G145-T147 PolarHBondContact O-N 3.03Å; T147-A208 HydrophobicContact CG2-CB 4.03Å; T147-C212 HydrophobicContact CG2-CB 4.49Å
148	G	96.4	Very high	97.9	Very high	25 Å²	25	17.2 Å²	17.2	26%	0.258	11%	0.111	S	C	.	.			trans	-70.5	144	-179	0	0	0	0	0	112.4
149	L	94.8	Very high	97.9	Very high	35 Å²	35	17.1 Å²	17.1	18%	0.183	11%	0.111	C	C	.	.	S	Bend	trans	-100.2	-7.9	-171	-58.6	-177.7	0	0	0	114.4	W106 L107 K495	W106-L149 HydrophobicContact CD2-CD2 4.12Å; W106-L149 HydrophobicContact CE3-CD2 3.45Å; W106-L149 VanDerWaalsContact CE3-CD2 3.45Å; W106-L149 HydrophobicContact CZ3-CD2 4.02Å; L107-L149 HydrophobicContact CD1-CB 4.24Å; L107-L149 HydrophobicContact CD1-CD2 4.2Å; L107-L149 HydrophobicContact CD2-CD2 4.24Å; L107-L149 HydrophobicContact CG-CD2 3.99Å; L149-K495 PolarHBondContact O-NZ 3.49Å
150	V	96.1	Very high	97.9	Very high	8 Å²	8	16.9 Å²	16.9	5%	0.048	11%	0.108	C	C	.	.	S	Bend	trans	-105.2	13.4	-172.6	-65.6	0	0	0	0	113.7	G152 H490 G491 L494 K495 K496	V150-G152 PolarHBondContact O-N 2.95Å; V150-H490 HydrophobicContact CG1-CB 4.02Å; V150-H490 WeakPolarHBondContact CG2-O 3.42Å; V150-G491 WeakPolarHBondContact CG1-O 3.41Å; V150-L494 PolarHBondContact O-N 3.42Å; V150-K495 WeakPolarHBondContact O-CG 3.34Å; V150-K495 PolarHBondContact O-N 2.92Å; V150-K496 HydrophobicContact CG1-CD 4.2Å; V150-K496 HydrophobicContact CG1-CG 4.45Å
151	G	96.5	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	69	16	-178.5	0	0	0	0	0	113.7	K529	G151-K529 VanDerWaalsContact O-CE 3.24Å; G151-K529 WeakPolarHBondContact O-CE 3.46Å
152	G	97.8	Very high	97.9	Very high	10 Å²	10	16.9 Å²	16.9	10%	0.103	11%	0.108	C	C	.	.			trans	-72.9	-27.2	179.3	0	0	0	0	0	113.6	V150 N526 K529	V150-G152 PolarHBondContact O-N 2.95Å; G152-N526 PolarHBondContact O-ND2 2.89Å; G152-N526 PolarHBondContact O-OD1 2.66Å; G152-K529 PolarHBondContact O-NZ 3.39Å
153	S	98.3	Very high	97.9	Very high	18 Å²	18	16.1 Å²	16.1	13%	0.126	10%	0.103	C	C	.	.	S	Bend	trans	-87.3	-9.3	-170.9	54.3	0	0	0	0	115.3	N141 Q143 N146	N141-S153 PolarHBondContact ND2-O 2.9Å; Q143-S153 WeakPolarHBondContact CG-O 3.33Å; Q143-S153 PolarHBondContact NE2-O 3.19Å; N146-S153 WeakPolarHBondContact OD1-CB 3.29Å; N146-S153 PolarHBondContact OD1-OG 2.93Å
154	V	98.6	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-122	148.9	-177.3	-61.5	0	0	0	0	112.3	D105 V110 N141 N146 K529	D105-V154 HydrophobicContact CB-CG1 4.23Å; D105-V154 HydrophobicContact CB-CG2 3.92Å; V110-V154 HydrophobicContact CB-CG2 4.12Å; V110-V154 HydrophobicContact CG1-CG2 3.79Å; N141-V154 PolarHBondContact OD1-O 3.16Å; N146-V154 WeakPolarHBondContact OD1-CG1 3.12Å; V154-K529 PolarHBondContact O-NZ 3.01Å
155	P	98.6	Very high	97.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.108	C	C	.	.			trans	-56.4	152.9	176.2	-22.9	33.7	0	0	0	112.8	G112 N141 E159 I161	G112-P155 WeakPolarHBondContact CA-O 3.46Å; G112-P155 PolarHBondContact N-O 3.48Å; N141-P155 HydrophobicContact CB-CG 4.14Å; P155-E159 HydrophobicContact CB-CB 4.18Å; P155-E159 WeakPolarHBondContact CB-OE2 3.46Å; P155-I161 HydrophobicContact CG-CD1 3.86Å; P155-I161 HydrophobicContact CG-CG1 3.48Å; P155-I161 VanDerWaalsContact CG-CG1 3.48Å
156	V	97.8	Very high	98	Very high	18 Å²	18	18.2 Å²	18.2	11%	0.109	11%	0.108	C	C	.	.	S	Bend	trans	-88.9	-36.5	167.9	-177.9	0	0	0	0	110.7	E159 L494 Y528	V156-E159 PolarHBondContact N-OE1 2.68Å; V156-E159 PolarHBondContact N-OE2 2.87Å; V156-L494 HydrophobicContact CG2-CD1 3.75Å; V156-L494 HydrophobicContact CG2-CD2 3.99Å; V156-L494 HydrophobicContact CG2-CG 4.46Å; V156-Y528 HydrophobicContact CB-CD2 3.68Å; V156-Y528 HydrophobicContact CB-CE2 4.2Å; V156-Y528 HydrophobicContact CB-CG 4.3Å; V156-Y528 HydrophobicContact CG1-CD2 4.36Å; V156-Y528 HydrophobicContact CG2-CD2 3.69Å; V156-Y528 HydrophobicContact CG2-CG 4.09Å
157	Y	98.1	Very high	98	Very high	68 Å²	68	16.9 Å²	16.9	27%	0.267	10%	0.101	S	C	.	.	S	Bend	trans	-127.5	-120.6	179.5	-67.7	-74.5	0	0	0	109.2	P68 R70 S113 S114 E159 Y528	P68-Y157 WeakPolarHBondContact O-CE2 3.38Å; P68-Y157 PolarHBondContact O-OH 3.48Å; R70-Y157 HydrophobicContact CB-CD1 4.21Å; R70-Y157 HydrophobicContact CB-CD2 3.72Å; R70-Y157 HydrophobicContact CB-CE1 4.07Å; R70-Y157 HydrophobicContact CB-CE2 3.55Å; R70-Y157 HydrophobicContact CB-CG 4.03Å; R70-Y157 HydrophobicContact CG-CD1 4.42Å; R70-Y157 HydrophobicContact CG-CD2 3.81Å; R70-Y157 HydrophobicContact CG-CE2 4.18Å; R70-Y157 HydrophobicContact CG-CG 3.92Å; R70-Y157 PolarHBondContact N-OH 3.11Å; S113-Y157 CarbonylContact C-O 3.58Å; S113-Y157 VanDerWaalsContact CA-O 3.31Å; S113-Y157 WeakPolarHBondContact CA-O 3.17Å; S113-Y157 PolarHBondContact N-O 3.42Å; S114-Y157 PolarHBondContact N-O 2.66Å; Y157-E159 VanDerWaalsContact CA-OE2 3.28Å; Y157-E159 WeakPolarHBondContact CA-OE2 3.43Å; Y157-E159 PolarHBondContact N-OE2 2.77Å; Y157-Y528 HydrophobicContact CD2-CE1 4.34Å; Y157-Y528 AromaticContact CD2-CE2 3.8Å; Y157-Y528 HydrophobicContact CD2-CE2 3.8Å; Y157-Y528 AromaticContact CD2-CZ 3.71Å; Y157-Y528 HydrophobicContact CE2-CE1 4.26Å; Y157-Y528 HydrophobicContact CE2-CE2 4.46Å
158	D	98.3	Very high	98.1	Very high	33 Å²	33	19.9 Å²	19.9	18%	0.176	12%	0.116	C	C	.	.	S	Bend	trans	-106.8	22.8	-171.9	59.8	-28.9	0	0	0	112.9	R70 R75 I160	R70-D158 IonicContact CZ-OD1 2.78Å; R70-D158 VanDerWaalsContact CZ-OD1 3.27Å; R70-D158 IonicContact CZ-OD2 3.78Å; R70-D158 IonicContact NE-OD1 2.73Å; R70-D158 PolarHBondContact NE-OD1 3.11Å; R70-D158 IonicContact NE-OD2 3.51Å; R70-D158 VanDerWaalsContact NH2-CG 3.32Å; R70-D158 IonicContact NH2-OD1 3.01Å; R70-D158 PolarHBondContact NH2-OD1 3.17Å; R70-D158 IonicContact NH2-OD2 2.82Å; R70-D158 PolarHBondContact NH2-OD2 2.65Å; R75-D158 IonicContact CZ-OD2 3.81Å; R75-D158 IonicContact NH1-OD2 2.95Å; R75-D158 PolarHBondContact NH1-OD2 3.22Å; D158-I160 PolarHBondContact O-N 3.38Å
159	E	98.9	Very high	98.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-56.9	137.7	174.8	-53.9	94.1	128.5	0	0	110.7	S114 A139 N141 P155 V156 Y157 I161 P527 Y528	S114-E159 WeakPolarHBondContact CB-O 3.36Å; S114-E159 PolarHBondContact OG-O 3.2Å; A139-E159 HydrophobicContact CB-CB 4.07Å; A139-E159 HydrophobicContact CB-CG 3.6Å; N141-E159 HydrophobicContact CB-CB 4.08Å; P155-E159 HydrophobicContact CB-CB 4.18Å; P155-E159 WeakPolarHBondContact CB-OE2 3.46Å; V156-E159 PolarHBondContact N-OE1 2.68Å; V156-E159 PolarHBondContact N-OE2 2.87Å; Y157-E159 VanDerWaalsContact CA-OE2 3.28Å; Y157-E159 WeakPolarHBondContact CA-OE2 3.43Å; Y157-E159 PolarHBondContact N-OE2 2.77Å; E159-I161 PolarHBondContact O-N 2.89Å; E159-P527 HydrophobicContact CG-CG 3.79Å; E159-Y528 HydrophobicContact CG-CE2 4.44Å; E159-Y528 VanDerWaalsContact OE1-CD2 3.24Å; E159-Y528 WeakPolarHBondContact OE1-CD2 3.41Å; E159-Y528 WeakPolarHBondContact OE1-CE2 3.49Å
160	I	98.9	Very high	98.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	127.1	176.8	-64.7	168.4	0	0	0	108.8	V76 F84 V116 L118 L138 A139 V140 N141 D158 L162	V76-I160 HydrophobicContact CG2-CD1 3.99Å; V76-I160 HydrophobicContact CG2-CG1 3.92Å; F84-I160 HydrophobicContact CE2-CD1 3.76Å; F84-I160 HydrophobicContact CZ-CD1 3.75Å; V116-I160 HydrophobicContact CB-CG1 4.48Å; V116-I160 HydrophobicContact CB-CG2 4.43Å; V116-I160 HydrophobicContact CG1-CG2 4.26Å; L118-I160 HydrophobicContact CD1-CG2 3.6Å; L118-I160 HydrophobicContact CG-CG2 3.73Å; L138-I160 HydrophobicContact CB-CD1 4.03Å; L138-I160 HydrophobicContact CD1-CD1 4.07Å; A139-I160 PolarHBondContact O-N 2.86Å; V140-I160 CarbonylContact C-O 3.59Å; V140-I160 WeakPolarHBondContact CA-O 3.49Å; N141-I160 PolarHBondContact N-O 3.24Å; D158-I160 PolarHBondContact O-N 3.38Å; I160-L162 PolarHBondContact O-N 2.97Å
161	I	98.9	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.5	175.6	-57.4	168.7	0	0	0	108.3	V99 V116 L117 L118 Q143 P155 E159	V99-I161 HydrophobicContact CG1-CD1 4.42Å; V116-I161 PolarHBondContact O-N 2.96Å; L117-I161 HydrophobicContact CD1-CB 3.86Å; L117-I161 HydrophobicContact CD1-CG2 3.5Å; L118-I161 PolarHBondContact N-O 3.47Å; Q143-I161 HydrophobicContact CB-CG2 3.85Å; P155-I161 HydrophobicContact CG-CD1 3.86Å; P155-I161 HydrophobicContact CG-CG1 3.48Å; P155-I161 VanDerWaalsContact CG-CG1 3.48Å; E159-I161 PolarHBondContact O-N 2.89Å
162	L	98.9	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	101.8	174.2	-171.6	154.5	0	0	0	108.6	P120 V126 I129 L130 V140 N141 P142 Q143 I160 V278	P120-L162 HydrophobicContact CG-CD2 4.24Å; P120-L162 HydrophobicContact CG-CG 4.47Å; V126-L162 HydrophobicContact CG1-CD1 4.3Å; V126-L162 HydrophobicContact CG1-CD2 4.49Å; I129-L162 HydrophobicContact CB-CD1 4.46Å; I129-L162 HydrophobicContact CG2-CD1 3.82Å; L130-L162 HydrophobicContact CD2-CD1 4.12Å; L130-L162 HydrophobicContact CG-CD1 4.43Å; V140-L162 HydrophobicContact CG1-CB 3.66Å; V140-L162 HydrophobicContact CG1-CD1 4.1Å; N141-L162 PolarHBondContact O-N 2.8Å; P142-L162 CarbonylContact C-O 3.53Å; P142-L162 WeakPolarHBondContact CA-O 3.2Å; Q143-L162 PolarHBondContact N-O 2.88Å; I160-L162 PolarHBondContact O-N 2.97Å; L162-V278 HydrophobicContact CD2-CG1 3.93Å
163	S	98.9	Very high	98.7	Very high	7 Å²	7	30.4 Å²	30.4	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.5	-175.4	176.7	0	0	0	0	112.3	L118 P120 Q143 S165	L118-S163 PolarHBondContact O-N 3.32Å; P120-S163 WeakPolarHBondContact CD-O 3.29Å; Q143-S163 VanDerWaalsContact O-CA 3.27Å; Q143-S163 WeakPolarHBondContact O-CA 3.35Å; S163-S165 PolarHBondContact O-N 3.28Å; S163-S165 WeakPolarHBondContact OG-CB 3.48Å; S163-S165 PolarHBondContact OG-N 3.43Å; S163-S165 PolarHBondContact OG-OG 3.36Å
164	T	98.9	Very high	98.7	Very high	10 Å²	10	33.1 Å²	33.1	6%	0.061	18%	0.184	C	C	.	.			trans	-81.6	3.3	174.6	49.2	0	0	0	0	113.4	Q143 L166 M167 A184 G185 Q213	Q143-T164 PolarHBondContact O-N 2.92Å; Q143-T164 VanDerWaalsContact O-N 3.08Å; Q143-T164 PolarHBondContact O-OG1 3.14Å; T164-L166 PolarHBondContact O-N 2.81Å; T164-M167 HydrophobicContact CG2-SD 4.47Å; T164-M167 WeakPolarHBondContact O-CB 3.36Å; T164-M167 PolarHBondContact O-N 2.92Å; T164-A184 HydrophobicContact CG2-CB 4.29Å; T164-G185 VanDerWaalsContact O-CA 3.24Å; T164-G185 WeakPolarHBondContact O-CA 3.4Å; T164-Q213 PolarHBondContact OG1-OE1 3.17Å
165	S	98.5	Very high	98.6	Very high	38 Å²	38	39.7 Å²	39.7	27%	0.266	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.7	-170.9	52.6	0	0	0	0	116.2	S163	S163-S165 PolarHBondContact O-N 3.28Å; S163-S165 WeakPolarHBondContact OG-CB 3.48Å; S163-S165 PolarHBondContact OG-N 3.43Å; S163-S165 PolarHBondContact OG-OG 3.36Å
166	L	98.8	Very high	98.6	Very high	48 Å²	48	47.1 Å²	47.1	25%	0.251	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-2.2	177.1	-58.9	-177.5	0	0	0	113.7	R91 R119 Q121 T164 N168	R91-L166 VanDerWaalsContact CD-CD1 3.44Å; R91-L166 HydrophobicContact CG-CD1 3.94Å; R119-L166 HydrophobicContact CB-CD1 3.71Å; R119-L166 HydrophobicContact CB-CG 4.09Å; Q121-L166 HydrophobicContact CG-CB 3.66Å; Q121-L166 HydrophobicContact CG-CD1 4.48Å; T164-L166 PolarHBondContact O-N 2.81Å; L166-N168 VanDerWaalsContact C-N 3.28Å; L166-N168 PolarHBondContact O-N 3.25Å
167	M	98.9	Very high	98.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.			trans	-89.2	63.6	170.2	-56.2	-171.6	70.1	0	0	109.1	P120 V126 T164 Q183 G185 T280	P120-M167 HydrophobicContact CG-SD 4.37Å; P120-M167 VanDerWaalsContact O-CG 3.28Å; P120-M167 WeakPolarHBondContact O-CG 3.31Å; V126-M167 HydrophobicContact CG2-CE 4.38Å; V126-M167 HydrophobicContact CG2-SD 3.76Å; T164-M167 HydrophobicContact CG2-SD 4.47Å; T164-M167 WeakPolarHBondContact O-CB 3.36Å; T164-M167 PolarHBondContact O-N 2.92Å; M167-Q183 VanDerWaalsContact C-CB 3.45Å; M167-Q183 HydrophobicContact CB-CB 4.03Å; M167-Q183 CarbonylContact O-C 3.53Å; M167-Q183 WeakPolarHBondContact O-CB 3.19Å; M167-G185 CarbonylContact O-C 3.55Å; M167-G185 WeakPolarHBondContact O-CA 3.19Å; M167-G185 PolarHBondContact O-N 3.02Å; M167-T280 HydrophobicContact CE-CG2 3.87Å; M167-T280 HydrophobicContact SD-CG2 4.3Å
168	N	98.8	Very high	98.6	Very high	97 Å²	97	45.3 Å²	45.3	52%	0.519	25%	0.248	S	C	.	.			trans	-116.7	21.8	-166.8	65.2	-5.7	0	0	0	114.2	L166 C186	L166-N168 VanDerWaalsContact C-N 3.28Å; L166-N168 PolarHBondContact O-N 3.25Å; N168-C186 PolarHBondContact O-SG 2.87Å
169	S	98.8	Very high	98.6	Very high	58 Å²	58	44.5 Å²	44.5	41%	0.406	24%	0.244	S	C	.	.			trans	-87.3	137.1	-179.9	-52.6	0	0	0	0	112.7	Q183 C186	S169-Q183 VanDerWaalsContact CB-OE1 3.22Å; S169-Q183 PolarHBondContact O-N 2.96Å; S169-Q183 PolarHBondContact OG-OE1 3.03Å; S169-Q183 VanDerWaalsContact OG-OE1 3.13Å; S169-C186 PolarHBondContact O-SG 2.96Å
170	I	98.9	Very high	98.6	Very high	58 Å²	58	44.4 Å²	44.4	30%	0.297	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.7	161.7	-64.1	173	0	0	0	107.4	L180 C182 L191 Y194	I170-L180 HydrophobicContact CG2-CD1 3.75Å; I170-C182 HydrophobicContact CG1-CB 4.37Å; I170-L191 HydrophobicContact CD1-CD2 4.05Å; I170-L191 HydrophobicContact CG1-CD2 3.92Å; I170-Y194 HydrophobicContact CD1-CD1 3.63Å; I170-Y194 HydrophobicContact CD1-CD2 3.43Å; I170-Y194 VanDerWaalsContact CD1-CD2 3.43Å; I170-Y194 HydrophobicContact CD1-CE1 3.97Å; I170-Y194 HydrophobicContact CD1-CE2 3.75Å; I170-Y194 HydrophobicContact CD1-CG 3.35Å; I170-Y194 HydrophobicContact CG2-CE1 4.29Å
171	L	98.8	Very high	98.6	Very high	95 Å²	95	44.7 Å²	44.7	50%	0.497	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-43	-175.5	-58.1	-179	0	0	0	111.2	T181 Q183 A281	L171-T181 WeakPolarHBondContact CA-O 3.31Å; L171-T181 HydrophobicContact CB-CG2 4.24Å; L171-T181 WeakPolarHBondContact CB-O 3.43Å; L171-T181 HydrophobicContact CD1-CG2 4.14Å; L171-T181 PolarHBondContact N-O 3.25Å; L171-Q183 HydrophobicContact CD1-CG 4.43Å; L171-Q183 HydrophobicContact CD2-CG 4.08Å; L171-Q183 HydrophobicContact CG-CG 4.34Å; L171-A281 HydrophobicContact CD1-CB 4.25Å
172	S	98.8	Very high	98.6	Very high	60 Å²	60	44.7 Å²	44.7	42%	0.42	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	155.9	176.2	66	0	0	0	0	111.6	T181	S172-T181 PolarHBondContact N-O 3.45Å; S172-T181 PolarHBondContact O-N 3.26Å; S172-T181 WeakPolarHBondContact OG-CB 3.31Å; S172-T181 PolarHBondContact OG-OG1 2.67Å
173	F	98.8	Very high	98.6	Very high	28 Å²	28	45.6 Å²	45.6	12%	0.123	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	120.1	167.8	179.5	-110.7	0	0	0	109.6	K175 I179 L180 Y194 L195 R198 Y200	F173-K175 HydrophobicContact CD1-CG 3.87Å; F173-K175 HydrophobicContact CE1-CB 4.37Å; F173-K175 HydrophobicContact CE1-CG 3.81Å; F173-I179 WeakPolarHBondContact CA-O 3.45Å; F173-I179 WeakPolarHBondContact CD2-O 3.45Å; F173-L180 HydrophobicContact CB-CD1 4.38Å; F173-L180 HydrophobicContact CD2-CB 3.95Å; F173-L180 HydrophobicContact CD2-CD1 4.29Å; F173-L180 HydrophobicContact CE2-CB 4.47Å; F173-Y194 HydrophobicContact CB-CE1 3.93Å; F173-Y194 HydrophobicContact CD1-CE1 4.45Å; F173-Y194 HydrophobicContact CG-CE1 4.15Å; F173-L195 HydrophobicContact CD2-CD2 3.71Å; F173-L195 HydrophobicContact CE1-CD2 4.41Å; F173-L195 HydrophobicContact CE2-CD2 3.29Å; F173-L195 HydrophobicContact CG-CD2 4.43Å; F173-L195 HydrophobicContact CZ-CD2 3.7Å; F173-R198 HydrophobicContact CE1-CB 4.04Å; F173-Y200 AromaticContact CE1-CD2 3.95Å; F173-Y200 HydrophobicContact CE1-CD2 3.95Å; F173-Y200 HydrophobicContact CE1-CE2 4.22Å; F173-Y200 HydrophobicContact CE2-CG 4.5Å; F173-Y200 HydrophobicContact CZ-CD1 4.24Å; F173-Y200 AromaticContact CZ-CD2 3.46Å; F173-Y200 HydrophobicContact CZ-CD2 3.46Å; F173-Y200 VanDerWaalsContact CZ-CD2 3.46Å; F173-Y200 AromaticContact CZ-CE2 3.85Å; F173-Y200 HydrophobicContact CZ-CE2 3.85Å; F173-Y200 AromaticContact CZ-CG 3.69Å; F173-Y200 HydrophobicContact CZ-CG 3.69Å
174	D	98.6	Very high	98.6	Very high	75 Å²	75	45.3 Å²	45.3	40%	0.401	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110	174	175.4	8.7	0	0	0	109.9	I176 S177 G178 I179	D174-I176 PolarHBondContact O-N 3.06Å; D174-I176 WeakPolarHBondContact OD1-CB 3.4Å; D174-I176 PolarHBondContact OD1-N 3.12Å; D174-S177 VanDerWaalsContact CB-OG 3.31Å; D174-S177 WeakPolarHBondContact CB-OG 3.48Å; D174-S177 VanDerWaalsContact OD2-CB 3.27Å; D174-S177 WeakPolarHBondContact OD2-CB 3.48Å; D174-S177 PolarHBondContact OD2-N 3.34Å; D174-S177 PolarHBondContact OD2-OG 3.41Å; D174-G178 VanDerWaalsContact O-CA 3.31Å; D174-G178 WeakPolarHBondContact O-CA 3.41Å; D174-G178 PolarHBondContact O-N 2.94Å; D174-I179 PolarHBondContact N-O 3.19Å; D174-I179 PolarHBondContact O-N 2.85Å
175	K	97.5	Very high	98.6	Very high	138 Å²	138	44.9 Å²	44.9	60%	0.6	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15.4	-179	-63.9	-177.5	177.6	-176.2	0	114	F173 Y200	F173-K175 HydrophobicContact CD1-CG 3.87Å; F173-K175 HydrophobicContact CE1-CB 4.37Å; F173-K175 HydrophobicContact CE1-CG 3.81Å; K175-Y200 PolarHBondContact O-OH 3.11Å
176	I	96.9	Very high	98.7	Very high	156 Å²	156	43.3 Å²	43.3	80%	0.8	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-55.1	177.9	-61	177.2	0	0	0	109	D174	D174-I176 PolarHBondContact O-N 3.06Å; D174-I176 WeakPolarHBondContact OD1-CB 3.4Å; D174-I176 PolarHBondContact OD1-N 3.12Å
177	S	98.3	Very high	98.7	Very high	48 Å²	48	42.4 Å²	42.4	34%	0.336	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-21.4	-178.2	62.7	0	0	0	0	114	D174 I179	D174-S177 VanDerWaalsContact CB-OG 3.31Å; D174-S177 WeakPolarHBondContact CB-OG 3.48Å; D174-S177 VanDerWaalsContact OD2-CB 3.27Å; D174-S177 WeakPolarHBondContact OD2-CB 3.48Å; D174-S177 PolarHBondContact OD2-N 3.34Å; D174-S177 PolarHBondContact OD2-OG 3.41Å; S177-I179 WeakPolarHBondContact OG-CG1 3.16Å; S177-I179 PolarHBondContact OG-N 3.26Å
178	G	98.6	Very high	98.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	23.3	-172.9	0	0	0	0	0	113.4	D174 C286	D174-G178 VanDerWaalsContact O-CA 3.31Å; D174-G178 WeakPolarHBondContact O-CA 3.41Å; D174-G178 PolarHBondContact O-N 2.94Å; G178-C286 WeakPolarHBondContact O-CA 3.24Å; G178-C286 WeakPolarHBondContact O-CB 3.27Å; G178-C286 PolarHBondContact O-N 3.19Å
179	I	98.9	Very high	98.6	Very high	15 Å²	15	41.7 Å²	41.7	8%	0.077	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.2	-177.1	-61.8	173.5	0	0	0	109.7	F173 D174 S177 L238 T255 L285	F173-I179 WeakPolarHBondContact CA-O 3.45Å; F173-I179 WeakPolarHBondContact CD2-O 3.45Å; D174-I179 PolarHBondContact N-O 3.19Å; D174-I179 PolarHBondContact O-N 2.85Å; S177-I179 WeakPolarHBondContact OG-CG1 3.16Å; S177-I179 PolarHBondContact OG-N 3.26Å; I179-L238 HydrophobicContact CB-CD1 4.47Å; I179-L238 HydrophobicContact CD1-CD1 3.51Å; I179-L238 HydrophobicContact CG1-CD1 3.69Å; I179-L238 HydrophobicContact CG2-CD1 3.98Å; I179-T255 WeakPolarHBondContact CD1-O 3.46Å; I179-T255 HydrophobicContact CG2-CG2 4.23Å; I179-L285 HydrophobicContact CG1-CD1 4.04Å
180	L	98.9	Very high	98.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.7	175.5	172.9	68.2	0	0	0	109.6	I170 F173 C182 L191 Y194 L195 M202 S283 I284	I170-L180 HydrophobicContact CG2-CD1 3.75Å; F173-L180 HydrophobicContact CB-CD1 4.38Å; F173-L180 HydrophobicContact CD2-CB 3.95Å; F173-L180 HydrophobicContact CD2-CD1 4.29Å; F173-L180 HydrophobicContact CE2-CB 4.47Å; L180-C182 HydrophobicContact CG-CB 4.48Å; L180-L191 HydrophobicContact CD2-CB 4.46Å; L180-L191 HydrophobicContact CD2-CD1 4.3Å; L180-L191 HydrophobicContact CD2-CD2 4.03Å; L180-L191 HydrophobicContact CD2-CG 4.5Å; L180-Y194 HydrophobicContact CD1-CE1 4.48Å; L180-L195 HydrophobicContact CD2-CD1 4.18Å; L180-M202 HydrophobicContact CD2-SD 4.01Å; L180-S283 CarbonylContact O-C 3.57Å; L180-S283 WeakPolarHBondContact O-CA 3.32Å; L180-I284 HydrophobicContact CB-CG2 4.02Å; L180-I284 HydrophobicContact CD2-CG2 4.17Å; L180-I284 HydrophobicContact CG-CG2 4.39Å; L180-I284 PolarHBondContact N-O 2.9Å; L180-I284 PolarHBondContact O-N 3.31Å
181	T	98.9	Very high	98.6	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.6	166.5	-49.3	0	0	0	0	109.2	L171 S172 L253 V282	L171-T181 WeakPolarHBondContact CA-O 3.31Å; L171-T181 HydrophobicContact CB-CG2 4.24Å; L171-T181 WeakPolarHBondContact CB-O 3.43Å; L171-T181 HydrophobicContact CD1-CG2 4.14Å; L171-T181 PolarHBondContact N-O 3.25Å; S172-T181 PolarHBondContact N-O 3.45Å; S172-T181 PolarHBondContact O-N 3.26Å; S172-T181 WeakPolarHBondContact OG-CB 3.31Å; S172-T181 PolarHBondContact OG-OG1 2.67Å; T181-L253 HydrophobicContact CG2-CD1 4.16Å; T181-L253 HydrophobicContact CG2-CD2 3.89Å; T181-L253 HydrophobicContact CG2-CG 4.14Å; T181-V282 WeakPolarHBondContact CA-O 3.47Å
182	C	98.9	Very high	98.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	161.3	-177.4	62.5	0	0	0	0	111.7	I170 L180 C186 L191 A281 V282	I170-C182 HydrophobicContact CG1-CB 4.37Å; L180-C182 HydrophobicContact CG-CB 4.48Å; C182-C186 HydrophobicContact CB-CB 4.45Å; C182-L191 HydrophobicContact CB-CD2 4.27Å; C182-A281 CarbonylContact O-C 3.09Å; C182-A281 VanDerWaalsContact O-CA 3.32Å; C182-A281 WeakPolarHBondContact O-CA 3.41Å; C182-V282 PolarHBondContact N-O 3.4Å; C182-V282 PolarHBondContact O-N 3.03Å
183	Q	98.9	Very high	98.6	Very high	19 Å²	19	38.8 Å²	38.8	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	153.4	174.3	-66.3	-173.2	-60.4	0	0	111.6	Q121 M167 S169 L171 G185 C186 I214 T280	Q121-Q183 PolarHBondContact O-NE2 3.43Å; M167-Q183 VanDerWaalsContact C-CB 3.45Å; M167-Q183 HydrophobicContact CB-CB 4.03Å; M167-Q183 CarbonylContact O-C 3.53Å; M167-Q183 WeakPolarHBondContact O-CB 3.19Å; S169-Q183 VanDerWaalsContact CB-OE1 3.22Å; S169-Q183 PolarHBondContact O-N 2.96Å; S169-Q183 PolarHBondContact OG-OE1 3.03Å; S169-Q183 VanDerWaalsContact OG-OE1 3.13Å; L171-Q183 HydrophobicContact CD1-CG 4.43Å; L171-Q183 HydrophobicContact CD2-CG 4.08Å; L171-Q183 HydrophobicContact CG-CG 4.34Å; Q183-G185 PolarHBondContact O-N 2.81Å; Q183-G185 VanDerWaalsContact O-N 3.09Å; Q183-C186 PolarHBondContact O-N 3.22Å; Q183-C186 VanDerWaalsContact O-N 3.13Å; Q183-C186 PolarHBondContact O-SG 3.22Å; Q183-C186 VanDerWaalsContact O-SG 3.38Å; Q183-I214 WeakPolarHBondContact O-CG2 3.38Å; Q183-T280 WeakPolarHBondContact CA-O 3.49Å
184	A	98.9	Very high	98.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.8	-173.4	0	0	0	0	0	114.7	T164 I214 G215 I279 T280	T164-A184 HydrophobicContact CG2-CB 4.29Å; A184-I214 PolarHBondContact O-N 2.83Å; A184-G215 WeakPolarHBondContact O-CA 3.31Å; A184-G215 PolarHBondContact O-N 3.27Å; A184-I279 HydrophobicContact CB-CG2 4.31Å; A184-I279 WeakPolarHBondContact CB-O 3.41Å; A184-T280 WeakPolarHBondContact CB-O 3.5Å; A184-T280 PolarHBondContact N-O 3.4Å
185	G	98.9	Very high	98.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.4	-179.4	0	0	0	0	0	115.4	T164 M167 Q183 V187 Q213	T164-G185 VanDerWaalsContact O-CA 3.24Å; T164-G185 WeakPolarHBondContact O-CA 3.4Å; M167-G185 CarbonylContact O-C 3.55Å; M167-G185 WeakPolarHBondContact O-CA 3.19Å; M167-G185 PolarHBondContact O-N 3.02Å; Q183-G185 PolarHBondContact O-N 2.81Å; Q183-G185 VanDerWaalsContact O-N 3.09Å; G185-V187 PolarHBondContact O-N 2.86Å; G185-Q213 WeakPolarHBondContact O-CG 3.01Å
186	C	98.9	Very high	98.6	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.034	18%	0.175	C	C	.	.			trans	-62.2	123.1	175.9	-68.5	0	0	0	0	110.7	N168 S169 C182 Q183 L191 Q213 I214	N168-C186 PolarHBondContact O-SG 2.87Å; S169-C186 PolarHBondContact O-SG 2.96Å; C182-C186 HydrophobicContact CB-CB 4.45Å; Q183-C186 PolarHBondContact O-N 3.22Å; Q183-C186 VanDerWaalsContact O-N 3.13Å; Q183-C186 PolarHBondContact O-SG 3.22Å; Q183-C186 VanDerWaalsContact O-SG 3.38Å; C186-L191 HydrophobicContact CB-CD1 3.85Å; C186-L191 HydrophobicContact CB-CD2 3.62Å; C186-L191 HydrophobicContact CB-CG 3.8Å; C186-Q213 CarbonylContact O-C 3.6Å; C186-Q213 WeakPolarHBondContact O-CA 3.44Å; C186-I214 HydrophobicContact CB-CG2 4.19Å; C186-I214 PolarHBondContact O-N 3.21Å
187	V	98.9	Very high	98.6	Very high	29 Å²	29	33.6 Å²	33.6	18%	0.176	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-66.5	134.4	176	175.6	0	0	0	0	109.5	G185 E189 N190 L191 K209 C212 Q213	G185-V187 PolarHBondContact O-N 2.86Å; V187-E189 VanDerWaalsContact C-N 3.33Å; V187-E189 HydrophobicContact CG1-CB 4.36Å; V187-E189 PolarHBondContact O-N 2.88Å; V187-N190 HydrophobicContact CB-CB 4.34Å; V187-N190 PolarHBondContact O-N 2.83Å; V187-N190 VanDerWaalsContact O-N 3.13Å; V187-L191 PolarHBondContact O-N 3.16Å; V187-L191 VanDerWaalsContact O-N 3.09Å; V187-K209 WeakPolarHBondContact CG1-O 3.27Å; V187-C212 WeakPolarHBondContact CA-O 3.25Å; V187-Q213 HydrophobicContact CG2-CG 4.38Å
188	L	98.8	Very high	98.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.2	-44.2	-174.9	179.5	62.9	0	0	0	112.3	N190 L191 S192 M202 L204 L206 K209 C212	L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 2.9Å; L188-L191 WeakPolarHBondContact O-CB 3.22Å; L188-L191 PolarHBondContact O-N 2.92Å; L188-S192 PolarHBondContact O-N 3.41Å; L188-S192 PolarHBondContact O-OG 2.92Å; L188-M202 HydrophobicContact CD1-CB 4.1Å; L188-M202 HydrophobicContact CD1-CE 3.78Å; L188-M202 HydrophobicContact CD1-CG 3.85Å; L188-L204 HydrophobicContact CD1-CD2 4.03Å; L188-L204 HydrophobicContact CD1-CG 4.16Å; L188-L204 HydrophobicContact CD2-CG 4.38Å; L188-L206 HydrophobicContact CD2-CD2 4.44Å; L188-L206 HydrophobicContact CD2-CG 3.99Å; L188-K209 HydrophobicContact CB-CB 4.4Å; L188-K209 HydrophobicContact CD2-CB 4.02Å; L188-K209 HydrophobicContact CG-CB 4.26Å; L188-C212 VanDerWaalsContact CB-SG 3.53Å; L188-C212 PolarHBondContact N-O 3.31Å
189	E	98.5	Very high	98.5	Very high	82 Å²	82	38.7 Å²	38.7	38%	0.383	19%	0.19	S	C	.	.	H	α-helix	trans	-59.9	-42.6	177.3	-176.1	168	-119.4	0	0	112.4	V187 L191 S192 L193 K209 G210	V187-E189 VanDerWaalsContact C-N 3.33Å; V187-E189 HydrophobicContact CG1-CB 4.36Å; V187-E189 PolarHBondContact O-N 2.88Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.37Å; E189-S192 WeakPolarHBondContact O-CB 3.41Å; E189-S192 PolarHBondContact O-N 3.2Å; E189-L193 HydrophobicContact CG-CD1 4.27Å; E189-L193 WeakPolarHBondContact O-CG 3.2Å; E189-L193 PolarHBondContact O-N 3.21Å; E189-K209 HydrophobicContact CB-CB 4.35Å; E189-K209 HydrophobicContact CB-CG 4.22Å; E189-K209 VanDerWaalsContact CB-O 3.32Å; E189-K209 WeakPolarHBondContact CB-O 3.46Å; E189-K209 PolarHBondContact N-O 3.13Å; E189-G210 WeakPolarHBondContact OE2-CA 3.39Å
190	N	98.8	Very high	98.5	Very high	97 Å²	97	38.6 Å²	38.6	52%	0.519	19%	0.189	S	C	.	.	H	α-helix	trans	-64.3	-37.4	177.3	-67.1	-5.5	0	0	0	111.8	V187 L188 Y194	V187-N190 HydrophobicContact CB-CB 4.34Å; V187-N190 PolarHBondContact O-N 2.83Å; V187-N190 VanDerWaalsContact O-N 3.13Å; L188-N190 VanDerWaalsContact C-N 3.34Å; L188-N190 PolarHBondContact O-N 2.9Å; N190-Y194 WeakPolarHBondContact O-CB 3.33Å; N190-Y194 PolarHBondContact O-N 3.44Å
191	L	98.8	Very high	98.5	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-66.2	-43	174.1	-64.7	-179	0	0	0	111.5	I170 L180 C182 C186 V187 L188 E189 Y194 L195 M202 I214	I170-L191 HydrophobicContact CD1-CD2 4.05Å; I170-L191 HydrophobicContact CG1-CD2 3.92Å; L180-L191 HydrophobicContact CD2-CB 4.46Å; L180-L191 HydrophobicContact CD2-CD1 4.3Å; L180-L191 HydrophobicContact CD2-CD2 4.03Å; L180-L191 HydrophobicContact CD2-CG 4.5Å; C182-L191 HydrophobicContact CB-CD2 4.27Å; C186-L191 HydrophobicContact CB-CD1 3.85Å; C186-L191 HydrophobicContact CB-CD2 3.62Å; C186-L191 HydrophobicContact CB-CG 3.8Å; V187-L191 PolarHBondContact O-N 3.16Å; V187-L191 VanDerWaalsContact O-N 3.09Å; L188-L191 WeakPolarHBondContact O-CB 3.22Å; L188-L191 PolarHBondContact O-N 2.92Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.37Å; L191-Y194 PolarHBondContact O-N 3.09Å; L191-L195 WeakPolarHBondContact O-CB 3.33Å; L191-L195 VanDerWaalsContact O-CG 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.24Å; L191-L195 PolarHBondContact O-N 2.84Å; L191-M202 HydrophobicContact CB-CE 4.45Å; L191-M202 HydrophobicContact CB-CG 4.13Å; L191-M202 HydrophobicContact CB-SD 3.81Å; L191-M202 HydrophobicContact CD1-CE 4Å; L191-M202 HydrophobicContact CD1-SD 4.3Å; L191-I214 HydrophobicContact CD1-CB 3.88Å; L191-I214 HydrophobicContact CD1-CD1 4.48Å; L191-I214 HydrophobicContact CD1-CG1 4.16Å; L191-I214 HydrophobicContact CD1-CG2 4.25Å
192	S	98.3	Very high	98.5	Very high	15 Å²	15	38.7 Å²	38.7	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-50.2	175.6	-66.3	0	0	0	0	111.4	L188 E189 Y194 L195 E196 M202	L188-S192 PolarHBondContact O-N 3.41Å; L188-S192 PolarHBondContact O-OG 2.92Å; E189-S192 WeakPolarHBondContact O-CB 3.41Å; E189-S192 PolarHBondContact O-N 3.2Å; S192-Y194 VanDerWaalsContact C-N 3.34Å; S192-Y194 PolarHBondContact O-N 3.26Å; S192-L195 PolarHBondContact O-N 2.94Å; S192-E196 WeakPolarHBondContact O-CB 3.44Å; S192-E196 VanDerWaalsContact O-CG 3.31Å; S192-E196 WeakPolarHBondContact O-CG 3.48Å; S192-E196 PolarHBondContact O-N 2.9Å; S192-M202 WeakPolarHBondContact OG-CG 3.5Å
193	L	98.4	Very high	98.4	Very high	97 Å²	97	38.8 Å²	38.8	51%	0.508	19%	0.189	S	C	.	.	H	α-helix	trans	-58.6	-44.4	177.5	-68.9	172	0	0	0	111.9	E189 L195 E196 E197	E189-L193 HydrophobicContact CG-CD1 4.27Å; E189-L193 WeakPolarHBondContact O-CG 3.2Å; E189-L193 PolarHBondContact O-N 3.21Å; L193-L195 VanDerWaalsContact C-N 3.34Å; L193-L195 PolarHBondContact O-N 3.2Å; L193-E196 PolarHBondContact O-N 3.4Å; L193-E197 PolarHBondContact O-N 3.23Å
194	Y	98.8	Very high	98.4	Very high	61 Å²	61	38.2 Å²	38.2	24%	0.239	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-42.9	176.7	176.3	-89	0	0	0	112.7	I170 F173 L180 N190 L191 S192 R198	I170-Y194 HydrophobicContact CD1-CD1 3.63Å; I170-Y194 HydrophobicContact CD1-CD2 3.43Å; I170-Y194 VanDerWaalsContact CD1-CD2 3.43Å; I170-Y194 HydrophobicContact CD1-CE1 3.97Å; I170-Y194 HydrophobicContact CD1-CE2 3.75Å; I170-Y194 HydrophobicContact CD1-CG 3.35Å; I170-Y194 HydrophobicContact CG2-CE1 4.29Å; F173-Y194 HydrophobicContact CB-CE1 3.93Å; F173-Y194 HydrophobicContact CD1-CE1 4.45Å; F173-Y194 HydrophobicContact CG-CE1 4.15Å; L180-Y194 HydrophobicContact CD1-CE1 4.48Å; N190-Y194 WeakPolarHBondContact O-CB 3.33Å; N190-Y194 PolarHBondContact O-N 3.44Å; L191-Y194 PolarHBondContact O-N 3.09Å; S192-Y194 VanDerWaalsContact C-N 3.34Å; S192-Y194 PolarHBondContact O-N 3.26Å; Y194-R198 VanDerWaalsContact CE2-CZ 3.45Å; Y194-R198 VanDerWaalsContact CZ-NE 3.32Å; Y194-R198 WeakPolarHBondContact O-CD 3.49Å; Y194-R198 PolarHBondContact O-NH1 2.72Å; Y194-R198 PolarHBondContact OH-NE 3.33Å
195	L	98.6	Very high	98.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.6	-36	-179.5	-71.2	169.4	0	0	0	112.4	F173 L180 L191 S192 L193 E197 R198 D199 Y200 M202 C286	F173-L195 HydrophobicContact CD2-CD2 3.71Å; F173-L195 HydrophobicContact CE1-CD2 4.41Å; F173-L195 HydrophobicContact CE2-CD2 3.29Å; F173-L195 HydrophobicContact CG-CD2 4.43Å; F173-L195 HydrophobicContact CZ-CD2 3.7Å; L180-L195 HydrophobicContact CD2-CD1 4.18Å; L191-L195 WeakPolarHBondContact O-CB 3.33Å; L191-L195 VanDerWaalsContact O-CG 3.29Å; L191-L195 WeakPolarHBondContact O-CG 3.24Å; L191-L195 PolarHBondContact O-N 2.84Å; S192-L195 PolarHBondContact O-N 2.94Å; L193-L195 VanDerWaalsContact C-N 3.34Å; L193-L195 PolarHBondContact O-N 3.2Å; L195-E197 VanDerWaalsContact C-N 3.31Å; L195-E197 PolarHBondContact O-N 2.91Å; L195-R198 CarbonylContact O-C 3.46Å; L195-R198 WeakPolarHBondContact O-CA 3.35Å; L195-R198 WeakPolarHBondContact O-CB 3.48Å; L195-R198 PolarHBondContact O-N 3.18Å; L195-D199 PolarHBondContact O-N 3.46Å; L195-Y200 CarbonylContact C-O 3.46Å; L195-Y200 PolarHBondContact O-N 2.92Å; L195-Y200 VanDerWaalsContact O-O 3.09Å; L195-M202 HydrophobicContact CD1-CG 3.8Å; L195-M202 HydrophobicContact CD1-SD 3.33Å; L195-M202 WeakPolarHBondContact CD1-SD 3.45Å; L195-C286 HydrophobicContact CD1-CB 4.05Å; L195-C286 WeakPolarHBondContact CD1-SG 3.1Å; L195-C286 HydrophobicContact CD2-CB 4.17Å
196	E	96.8	Very high	97.7	Very high	76 Å²	76	40.5 Å²	40.5	36%	0.355	20%	0.198	S	C	.	.	H	α-helix	trans	-63.3	-36.6	-178.3	-81.1	-175.8	-151.3	0	0	112.7	S192 L193 R198 D199 Y200 I201 K289	S192-E196 WeakPolarHBondContact O-CB 3.44Å; S192-E196 VanDerWaalsContact O-CG 3.31Å; S192-E196 WeakPolarHBondContact O-CG 3.48Å; S192-E196 PolarHBondContact O-N 2.9Å; L193-E196 PolarHBondContact O-N 3.4Å; E196-R198 PolarHBondContact O-N 3.35Å; E196-R198 VanDerWaalsContact O-N 3.12Å; E196-D199 PolarHBondContact O-N 2.65Å; E196-Y200 VanDerWaalsContact CA-O 3.31Å; E196-Y200 WeakPolarHBondContact CA-O 3.47Å; E196-Y200 PolarHBondContact N-O 2.87Å; E196-I201 HydrophobicContact CG-CG2 4.31Å; E196-K289 HydrophobicContact CG-CD 4.37Å; E196-K289 IonicContact OE2-NZ 3.64Å; E196-K289 PolarHBondContact OE2-NZ 2.8Å
197	E	97.3	Very high	97.2	Very high	151 Å²	151	43.6 Å²	43.6	71%	0.706	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-13.8	171.2	-69.3	178.3	171.5	0	0	113.5	L193 L195	L193-E197 PolarHBondContact O-N 3.23Å; L195-E197 VanDerWaalsContact C-N 3.31Å; L195-E197 PolarHBondContact O-N 2.91Å
198	R	98.3	Very high	96.8	Very high	65 Å²	65	43.9 Å²	43.9	25%	0.245	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	11.3	-175	-65.7	160	179.9	62.8	7.6	112.1	F173 Y194 L195 E196 Y200	F173-R198 HydrophobicContact CE1-CB 4.04Å; Y194-R198 VanDerWaalsContact CE2-CZ 3.45Å; Y194-R198 VanDerWaalsContact CZ-NE 3.32Å; Y194-R198 WeakPolarHBondContact O-CD 3.49Å; Y194-R198 PolarHBondContact O-NH1 2.72Å; Y194-R198 PolarHBondContact OH-NE 3.33Å; L195-R198 CarbonylContact O-C 3.46Å; L195-R198 WeakPolarHBondContact O-CA 3.35Å; L195-R198 WeakPolarHBondContact O-CB 3.48Å; L195-R198 PolarHBondContact O-N 3.18Å; E196-R198 PolarHBondContact O-N 3.35Å; E196-R198 VanDerWaalsContact O-N 3.12Å; R198-Y200 WeakPolarHBondContact O-CD2 3.45Å
199	D	98.1	Very high	96.6	Very high	91 Å²	91	46 Å²	46	49%	0.487	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	34.8	-175.5	-56.6	-44.8	0	0	0	114.5	L195 E196 R288 K289	L195-D199 PolarHBondContact O-N 3.46Å; E196-D199 PolarHBondContact O-N 2.65Å; D199-R288 PolarHBondContact O-NE 3.25Å; D199-R288 IonicContact OD2-NH2 2.62Å; D199-K289 VanDerWaalsContact C-CB 3.46Å; D199-K289 WeakPolarHBondContact O-CB 3.43Å; D199-K289 PolarHBondContact O-N 2.85Å
200	Y	98.6	Very high	96.5	Very high	13 Å²	13	44 Å²	44	5%	0.051	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-125.7	168	171.6	-73.1	-94.5	0	0	0	110.6	F173 K175 L195 E196 R198 C286 P287 R288	F173-Y200 AromaticContact CE1-CD2 3.95Å; F173-Y200 HydrophobicContact CE1-CD2 3.95Å; F173-Y200 HydrophobicContact CE1-CE2 4.22Å; F173-Y200 HydrophobicContact CE2-CG 4.5Å; F173-Y200 HydrophobicContact CZ-CD1 4.24Å; F173-Y200 AromaticContact CZ-CD2 3.46Å; F173-Y200 HydrophobicContact CZ-CD2 3.46Å; F173-Y200 VanDerWaalsContact CZ-CD2 3.46Å; F173-Y200 AromaticContact CZ-CE2 3.85Å; F173-Y200 HydrophobicContact CZ-CE2 3.85Å; F173-Y200 AromaticContact CZ-CG 3.69Å; F173-Y200 HydrophobicContact CZ-CG 3.69Å; K175-Y200 PolarHBondContact O-OH 3.11Å; L195-Y200 CarbonylContact C-O 3.46Å; L195-Y200 PolarHBondContact O-N 2.92Å; L195-Y200 VanDerWaalsContact O-O 3.09Å; E196-Y200 VanDerWaalsContact CA-O 3.31Å; E196-Y200 WeakPolarHBondContact CA-O 3.47Å; E196-Y200 PolarHBondContact N-O 2.87Å; R198-Y200 WeakPolarHBondContact O-CD2 3.45Å; Y200-C286 HydrophobicContact CD1-CB 4.19Å; Y200-C286 VanDerWaalsContact CD1-O 3.28Å; Y200-C286 WeakPolarHBondContact CD1-O 3.29Å; Y200-P287 CarbonylContact C-O 3.58Å; Y200-P287 WeakPolarHBondContact CA-O 3.49Å; Y200-P287 WeakPolarHBondContact CD1-O 3.34Å; Y200-R288 VanDerWaalsContact CE1-CD 3.43Å; Y200-R288 HydrophobicContact CE1-CG 4.12Å; Y200-R288 WeakPolarHBondContact OH-CD 3.46Å
201	I	98.4	Very high	96.5	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.036	25%	0.245	C	C	.	.			trans	-136.1	161.3	173.1	55.4	169.5	0	0	0	109.7	E196 Y230 C286 P287 K289	E196-I201 HydrophobicContact CG-CG2 4.31Å; I201-Y230 HydrophobicContact CD1-CE2 3.95Å; I201-Y230 WeakPolarHBondContact CD1-OH 3.36Å; I201-C286 VanDerWaalsContact O-CB 3.29Å; I201-C286 WeakPolarHBondContact O-CB 3.4Å; I201-P287 HydrophobicContact CD1-CB 4.4Å; I201-P287 HydrophobicContact CG1-CB 4.05Å; I201-P287 HydrophobicContact CG1-CG 4.47Å; I201-P287 PolarHBondContact N-O 3.27Å; I201-P287 VanDerWaalsContact O-CD 3.32Å; I201-P287 WeakPolarHBondContact O-CD 3.23Å; I201-K289 HydrophobicContact CG2-CB 4.1Å; I201-K289 HydrophobicContact CG2-CG 4.11Å
202	M	98.5	Very high	96.5	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	25%	0.245	C	C	.	.			trans	-67.1	143.5	165.7	-71	-61.2	-69.5	0	0	110.2	L180 L188 L191 S192 L195 L204 I214 I284	L180-M202 HydrophobicContact CD2-SD 4.01Å; L188-M202 HydrophobicContact CD1-CB 4.1Å; L188-M202 HydrophobicContact CD1-CE 3.78Å; L188-M202 HydrophobicContact CD1-CG 3.85Å; L191-M202 HydrophobicContact CB-CE 4.45Å; L191-M202 HydrophobicContact CB-CG 4.13Å; L191-M202 HydrophobicContact CB-SD 3.81Å; L191-M202 HydrophobicContact CD1-CE 4Å; L191-M202 HydrophobicContact CD1-SD 4.3Å; S192-M202 WeakPolarHBondContact OG-CG 3.5Å; L195-M202 HydrophobicContact CD1-CG 3.8Å; L195-M202 HydrophobicContact CD1-SD 3.33Å; L195-M202 WeakPolarHBondContact CD1-SD 3.45Å; M202-L204 HydrophobicContact CB-CD2 4.37Å; M202-L204 WeakPolarHBondContact CB-O 3.3Å; M202-L204 HydrophobicContact CE-CD2 3.79Å; M202-L204 PolarHBondContact O-N 2.69Å; M202-I214 HydrophobicContact CE-CD1 3.67Å; M202-I284 HydrophobicContact CE-CD1 4.19Å; M202-I284 HydrophobicContact CE-CG2 4.41Å
203	P	98	Very high	96.5	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.013	24%	0.243	C	C	.	.	S	Bend	trans	-72.3	-8.4	177.4	29.9	-35.5	0	0	0	113.5	Y230 T236 I284 L285 P287	P203-Y230 VanDerWaalsContact O-CB 3.24Å; P203-Y230 WeakPolarHBondContact O-CB 3.02Å; P203-T236 HydrophobicContact CB-CG2 3.87Å; P203-T236 HydrophobicContact CG-CG2 4.34Å; P203-I284 HydrophobicContact CG-CD1 3.59Å; P203-I284 HydrophobicContact CG-CG1 3.92Å; P203-L285 WeakPolarHBondContact CG-O 3.42Å; P203-P287 HydrophobicContact CB-CG 4.14Å
204	L	97.1	Very high	96.5	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.042	22%	0.219	C	C	.	.			trans	-128.4	152.5	177.1	73	164.4	0	0	0	110	L188 M202 I214 N217 A222 L233 I284	L188-L204 HydrophobicContact CD1-CD2 4.03Å; L188-L204 HydrophobicContact CD1-CG 4.16Å; L188-L204 HydrophobicContact CD2-CG 4.38Å; M202-L204 HydrophobicContact CB-CD2 4.37Å; M202-L204 WeakPolarHBondContact CB-O 3.3Å; M202-L204 HydrophobicContact CE-CD2 3.79Å; M202-L204 PolarHBondContact O-N 2.69Å; L204-I214 HydrophobicContact CD2-CD1 4.42Å; L204-N217 HydrophobicContact CD1-CB 3.9Å; L204-A222 HydrophobicContact CD1-CB 4.35Å; L204-L233 HydrophobicContact CD1-CD1 4.22Å; L204-L233 HydrophobicContact CD1-CD2 4.13Å; L204-L233 HydrophobicContact CD2-CD2 4.09Å; L204-I284 HydrophobicContact CD2-CD1 4.29Å
205	D	93.8	Very high	96.5	Very high	20 Å²	20	35.3 Å²	35.3	11%	0.107	21%	0.211	C	C	.	.			trans	-151.4	140.6	172	-165.2	14.6	0	0	0	110.4	K209 G224 L225	D205-K209 WeakPolarHBondContact OD1-CD 3.49Å; D205-K209 WeakPolarHBondContact OD1-CE 3.37Å; D205-K209 IonicContact OD1-NZ 2.66Å; D205-K209 PolarHBondContact OD1-NZ 2.79Å; D205-K209 IonicContact OD2-NZ 3.98Å; D205-K209 PolarHBondContact OD2-NZ 2.96Å; D205-G224 CarbonylContact O-C 3.45Å; D205-G224 WeakPolarHBondContact O-CA 3.48Å; D205-L225 PolarHBondContact O-N 3.19Å
206	L	91.3	Very high	96.5	Very high	28 Å²	28	36.5 Å²	36.5	15%	0.147	22%	0.222	C	C	.	.			trans	-154.6	158.2	-173.1	59.7	82.3	0	0	0	111.9	L188 A208 K209 C212 A222	L188-L206 HydrophobicContact CD2-CD2 4.44Å; L188-L206 HydrophobicContact CD2-CG 3.99Å; L206-A208 HydrophobicContact CD1-CB 3.55Å; L206-A208 VanDerWaalsContact CD1-N 3.25Å; L206-A208 PolarHBondContact O-N 3.29Å; L206-K209 WeakPolarHBondContact O-CB 3.32Å; L206-K209 WeakPolarHBondContact O-CE 3.5Å; L206-K209 PolarHBondContact O-N 3.24Å; L206-C212 HydrophobicContact CD1-CB 4.33Å; L206-C212 VanDerWaalsContact CD1-SG 3.6Å; L206-A222 HydrophobicContact CD2-CB 3.91Å
207	G	87	Confident	96.6	Very high	71 Å²	71	33.1 Å²	33.1	73%	0.732	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.7	-173	0	0	0	0	0	115.1	K209	G207-K209 VanDerWaalsContact C-N 3.35Å
208	A	91.8	Very high	96.7	Very high	34 Å²	34	26 Å²	26	28%	0.281	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	13.4	177.4	0	0	0	0	0	114.4	T147 L206 G210 S211 C212	T147-A208 HydrophobicContact CG2-CB 4.03Å; L206-A208 HydrophobicContact CD1-CB 3.55Å; L206-A208 VanDerWaalsContact CD1-N 3.25Å; L206-A208 PolarHBondContact O-N 3.29Å; A208-G210 PolarHBondContact O-N 3.32Å; A208-G210 VanDerWaalsContact O-N 3.08Å; A208-S211 PolarHBondContact O-N 2.91Å; A208-C212 HydrophobicContact CB-CB 4.31Å; A208-C212 PolarHBondContact O-N 2.7Å
209	K	94.6	Very high	96.7	Very high	46 Å²	46	23.6 Å²	23.6	20%	0.2	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-33.1	-170.9	67	-170.7	84.5	-177.8	0	115	V187 L188 E189 D205 L206 G207 S211 E401	V187-K209 WeakPolarHBondContact CG1-O 3.27Å; L188-K209 HydrophobicContact CB-CB 4.4Å; L188-K209 HydrophobicContact CD2-CB 4.02Å; L188-K209 HydrophobicContact CG-CB 4.26Å; E189-K209 HydrophobicContact CB-CB 4.35Å; E189-K209 HydrophobicContact CB-CG 4.22Å; E189-K209 VanDerWaalsContact CB-O 3.32Å; E189-K209 WeakPolarHBondContact CB-O 3.46Å; E189-K209 PolarHBondContact N-O 3.13Å; D205-K209 WeakPolarHBondContact OD1-CD 3.49Å; D205-K209 WeakPolarHBondContact OD1-CE 3.37Å; D205-K209 IonicContact OD1-NZ 2.66Å; D205-K209 PolarHBondContact OD1-NZ 2.79Å; D205-K209 IonicContact OD2-NZ 3.98Å; D205-K209 PolarHBondContact OD2-NZ 2.96Å; L206-K209 WeakPolarHBondContact O-CB 3.32Å; L206-K209 WeakPolarHBondContact O-CE 3.5Å; L206-K209 PolarHBondContact O-N 3.24Å; G207-K209 VanDerWaalsContact C-N 3.35Å; K209-S211 PolarHBondContact O-N 3.2Å; K209-E401 IonicContact NZ-OE1 2.89Å
210	G	96.1	Very high	96.8	Very high	38 Å²	38	21.4 Å²	21.4	39%	0.392	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.5	178.7	0	0	0	0	0	114.6	E189 A208	E189-G210 WeakPolarHBondContact OE2-CA 3.39Å; A208-G210 PolarHBondContact O-N 3.32Å; A208-G210 VanDerWaalsContact O-N 3.08Å
211	S	97.8	Very high	96.8	Very high	68 Å²	68	22.9 Å²	22.9	48%	0.476	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134	-32.4	179.5	-62.4	0	0	0	0	113.8	G145 A208 K209	G145-S211 VanDerWaalsContact CA-O 3.23Å; G145-S211 WeakPolarHBondContact CA-O 3.34Å; A208-S211 PolarHBondContact O-N 2.91Å; K209-S211 PolarHBondContact O-N 3.2Å
212	C	98.4	Very high	96.7	Very high	1 Å²	1	23 Å²	23	1%	0.007	17%	0.169	C	C	.	.			trans	-64.5	143.9	180	75.5	0	0	0	0	110.7	T147 V187 L188 L206 A208 N217	T147-C212 HydrophobicContact CG2-CB 4.49Å; V187-C212 WeakPolarHBondContact CA-O 3.25Å; L188-C212 VanDerWaalsContact CB-SG 3.53Å; L188-C212 PolarHBondContact N-O 3.31Å; L206-C212 HydrophobicContact CD1-CB 4.33Å; L206-C212 VanDerWaalsContact CD1-SG 3.6Å; A208-C212 HydrophobicContact CB-CB 4.31Å; A208-C212 PolarHBondContact O-N 2.7Å; C212-N217 PolarHBondContact SG-OD1 3.29Å; C212-N217 VanDerWaalsContact SG-OD1 3.34Å
213	Q	98.9	Very high	96.5	Very high	14 Å²	14	23.1 Å²	23.1	7%	0.065	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-110	147.7	-178.2	-66.2	176.7	-6.2	0	0	109.5	T164 G185 C186 V187 G215 G216 N217	T164-Q213 PolarHBondContact OG1-OE1 3.17Å; G185-Q213 WeakPolarHBondContact O-CG 3.01Å; C186-Q213 CarbonylContact O-C 3.6Å; C186-Q213 WeakPolarHBondContact O-CA 3.44Å; V187-Q213 HydrophobicContact CG2-CG 4.38Å; Q213-G215 VanDerWaalsContact C-N 3.29Å; Q213-G215 PolarHBondContact O-N 3.43Å; Q213-G216 WeakPolarHBondContact O-CA 3.27Å; Q213-G216 PolarHBondContact O-N 2.99Å; Q213-N217 PolarHBondContact O-N 2.93Å
214	I	98.9	Very high	96	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-37.7	-172.8	-167.8	59.2	0	0	0	113	Q183 A184 C186 L191 M202 L204 G216 N217 V218 V282 I284	Q183-I214 WeakPolarHBondContact O-CG2 3.38Å; A184-I214 PolarHBondContact O-N 2.83Å; C186-I214 HydrophobicContact CB-CG2 4.19Å; C186-I214 PolarHBondContact O-N 3.21Å; L191-I214 HydrophobicContact CD1-CB 3.88Å; L191-I214 HydrophobicContact CD1-CD1 4.48Å; L191-I214 HydrophobicContact CD1-CG1 4.16Å; L191-I214 HydrophobicContact CD1-CG2 4.25Å; M202-I214 HydrophobicContact CE-CD1 3.67Å; L204-I214 HydrophobicContact CD2-CD1 4.42Å; I214-G216 VanDerWaalsContact C-N 3.32Å; I214-G216 PolarHBondContact O-N 2.92Å; I214-N217 WeakPolarHBondContact O-CB 3.49Å; I214-N217 PolarHBondContact O-N 2.96Å; I214-V218 WeakPolarHBondContact O-CG2 3.31Å; I214-V218 PolarHBondContact O-N 3.27Å; I214-V282 HydrophobicContact CG1-CB 4.34Å; I214-V282 HydrophobicContact CG1-CG1 4.28Å; I214-V282 HydrophobicContact CG1-CG2 4.34Å; I214-V282 HydrophobicContact CG2-CG2 4.27Å; I214-I284 HydrophobicContact CD1-CD1 4.35Å
215	G	98.9	Very high	95.6	Very high	7 Å²	7	23.6 Å²	23.6	7%	0.072	17%	0.173	C	C	.	.	H	α-helix	trans	-64.6	-36.3	174.5	0	0	0	0	0	112.8	A184 Q213 A219	A184-G215 WeakPolarHBondContact O-CA 3.31Å; A184-G215 PolarHBondContact O-N 3.27Å; Q213-G215 VanDerWaalsContact C-N 3.29Å; Q213-G215 PolarHBondContact O-N 3.43Å; G215-A219 VanDerWaalsContact O-CB 3.23Å; G215-A219 WeakPolarHBondContact O-CB 3.48Å; G215-A219 PolarHBondContact O-N 3.12Å
216	G	98.9	Very high	95.4	Very high	24 Å²	24	24.6 Å²	24.6	25%	0.247	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-46.1	172	0	0	0	0	0	111.9	Q213 I214 V218 A219 T220	Q213-G216 WeakPolarHBondContact O-CA 3.27Å; Q213-G216 PolarHBondContact O-N 2.99Å; I214-G216 VanDerWaalsContact C-N 3.32Å; I214-G216 PolarHBondContact O-N 2.92Å; G216-V218 VanDerWaalsContact C-N 3.31Å; G216-V218 PolarHBondContact O-N 3.41Å; G216-A219 PolarHBondContact O-N 3.27Å; G216-T220 WeakPolarHBondContact O-CG2 3.38Å; G216-T220 PolarHBondContact O-N 2.88Å; G216-T220 PolarHBondContact O-OG1 2.57Å; G216-T220 VanDerWaalsContact O-OG1 3.11Å
217	N	98.9	Very high	95.6	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.032	18%	0.179	C	C	.	.	H	α-helix	trans	-57.5	-44.8	177	-61	-26.3	0	0	0	111.2	L204 C212 Q213 I214 T220 N221 A222 L233	L204-N217 HydrophobicContact CD1-CB 3.9Å; C212-N217 PolarHBondContact SG-OD1 3.29Å; C212-N217 VanDerWaalsContact SG-OD1 3.34Å; Q213-N217 PolarHBondContact O-N 2.93Å; I214-N217 WeakPolarHBondContact O-CB 3.49Å; I214-N217 PolarHBondContact O-N 2.96Å; N217-T220 PolarHBondContact O-N 3.1Å; N217-T220 PolarHBondContact O-OG1 2.83Å; N217-N221 WeakPolarHBondContact O-CA 3.28Å; N217-N221 PolarHBondContact O-N 3.27Å; N217-A222 HydrophobicContact CB-CB 4.05Å; N217-A222 PolarHBondContact O-N 3.02Å; N217-L233 HydrophobicContact CB-CD1 4.32Å; N217-L233 VanDerWaalsContact O-CD1 3.27Å; N217-L233 WeakPolarHBondContact O-CD1 3.32Å
218	V	98.9	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.5	-47.4	176.6	178	0	0	0	0	111.3	I214 G216 T220 N221 L233 V237 L240 I270 G271 I279 V282	I214-V218 WeakPolarHBondContact O-CG2 3.31Å; I214-V218 PolarHBondContact O-N 3.27Å; G216-V218 VanDerWaalsContact C-N 3.31Å; G216-V218 PolarHBondContact O-N 3.41Å; V218-T220 PolarHBondContact O-N 3.16Å; V218-N221 PolarHBondContact O-N 3.44Å; V218-L233 HydrophobicContact CG2-CD1 4.31Å; V218-V237 HydrophobicContact CG2-CG2 3.92Å; V218-L240 HydrophobicContact CG1-CD1 3.95Å; V218-L240 HydrophobicContact CG1-CD2 3.95Å; V218-I270 HydrophobicContact CG1-CB 4.31Å; V218-I270 HydrophobicContact CG1-CG1 3.79Å; V218-I270 HydrophobicContact CG1-CG2 4.37Å; V218-I270 WeakPolarHBondContact O-CA 3.36Å; V218-G271 PolarHBondContact O-N 2.89Å; V218-I279 HydrophobicContact CB-CD1 3.98Å; V218-I279 HydrophobicContact CG1-CD1 3.59Å; V218-V282 HydrophobicContact CG2-CG1 4.06Å; V218-V282 HydrophobicContact CG2-CG2 4.14Å
219	A	98.9	Very high	96.3	Very high	15 Å²	15	26.8 Å²	26.8	12%	0.124	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-27.8	-179.5	0	0	0	0	0	112.7	G215 G216 G271 S272 E273 I279	G215-A219 VanDerWaalsContact O-CB 3.23Å; G215-A219 WeakPolarHBondContact O-CB 3.48Å; G215-A219 PolarHBondContact O-N 3.12Å; G216-A219 PolarHBondContact O-N 3.27Å; A219-G271 CarbonylContact O-C 3.57Å; A219-G271 WeakPolarHBondContact O-CA 3.43Å; A219-G271 PolarHBondContact O-N 3.24Å; A219-S272 PolarHBondContact O-N 2.98Å; A219-S272 VanDerWaalsContact O-N 3.16Å; A219-E273 WeakPolarHBondContact O-CA 3.29Å; A219-E273 PolarHBondContact O-N 3.35Å; A219-I279 HydrophobicContact CB-CD1 4.24Å
220	T	98.8	Very high	96.4	Very high	46 Å²	46	26.5 Å²	26.5	28%	0.282	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-1.1	175.4	64.4	0	0	0	0	113.6	G216 N217 V218 A222	G216-T220 WeakPolarHBondContact O-CG2 3.38Å; G216-T220 PolarHBondContact O-N 2.88Å; G216-T220 PolarHBondContact O-OG1 2.57Å; G216-T220 VanDerWaalsContact O-OG1 3.11Å; N217-T220 PolarHBondContact O-N 3.1Å; N217-T220 PolarHBondContact O-OG1 2.83Å; V218-T220 PolarHBondContact O-N 3.16Å; T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 2.92Å
221	N	98.6	Very high	96.5	Very high	44 Å²	44	26.4 Å²	26.4	24%	0.235	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	51.7	-168.5	-175	35.1	0	0	0	111.9	N217 V218 G223 S232 H234 I270	N217-N221 WeakPolarHBondContact O-CA 3.28Å; N217-N221 PolarHBondContact O-N 3.27Å; V218-N221 PolarHBondContact O-N 3.44Å; N221-G223 PolarHBondContact O-N 3.01Å; N221-S232 PolarHBondContact OD1-OG 2.87Å; N221-H234 PolarHBondContact ND2-CD2 2.94Å; N221-H234 PolarHBondContact ND2-NE2 3.42Å; N221-I270 HydrophobicContact CB-CG2 3.95Å
222	A	97.6	Very high	96.5	Very high	10 Å²	10	24.9 Å²	24.9	8%	0.083	15%	0.146	C	C	.	.			trans	-55	135.1	-176.2	0	0	0	0	0	111.6	L204 L206 N217 T220	L204-A222 HydrophobicContact CD1-CB 4.35Å; L206-A222 HydrophobicContact CD2-CB 3.91Å; N217-A222 HydrophobicContact CB-CB 4.05Å; N217-A222 PolarHBondContact O-N 3.02Å; T220-A222 VanDerWaalsContact C-N 3.28Å; T220-A222 PolarHBondContact O-N 2.92Å
223	G	92.9	Very high	96.5	Very high	4 Å²	4	25 Å²	25	4%	0.041	15%	0.146	C	C	.	.			trans	-89	-106.3	173.2	0	0	0	0	0	111.6	N221	N221-G223 PolarHBondContact O-N 3.01Å
224	G	88.4	Confident	96.5	Very high	4 Å²	4	27.8 Å²	27.8	4%	0.041	16%	0.159	C	C	.	.			trans	99.7	-172.5	176.6	0	0	0	0	0	114.8	D205 R226 L227 E489	D205-G224 CarbonylContact O-C 3.45Å; D205-G224 WeakPolarHBondContact O-CA 3.48Å; G224-R226 PolarHBondContact O-N 3.2Å; G224-L227 PolarHBondContact O-N 3.45Å; G224-E489 PolarHBondContact N-OE2 3.33Å
225	L	87.6	Confident	96.5	Very high	15 Å²	15	29.9 Å²	29.9	8%	0.079	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16	-160.6	-60.7	172.7	0	0	0	115	D205 A323 W397 E401	D205-L225 PolarHBondContact O-N 3.19Å; L225-A323 WeakPolarHBondContact O-CB 3.2Å; L225-W397 HydrophobicContact CB-CH2 4.32Å; L225-W397 HydrophobicContact CD1-CE3 4.48Å; L225-W397 HydrophobicContact CD1-CZ3 4.22Å; L225-W397 HydrophobicContact CD2-CH2 4.38Å; L225-W397 HydrophobicContact CD2-CZ3 3.9Å; L225-W397 HydrophobicContact CG-CZ3 4.47Å; L225-E401 HydrophobicContact CD1-CG 4.1Å; L225-E401 WeakPolarHBondContact CD1-OE1 3.37Å
226	R	91.3	Very high	96.5	Very high	42 Å²	42	30.2 Å²	30.2	16%	0.158	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	10.6	-173.1	-63.7	176.5	162.3	170	3.6	113.3	G224 L228 R229 Y230 E355	G224-R226 PolarHBondContact O-N 3.2Å; R226-L228 VanDerWaalsContact C-N 3.25Å; R226-L228 PolarHBondContact O-N 3.31Å; R226-R229 PolarHBondContact O-N 3.09Å; R226-R229 VanDerWaalsContact O-N 3.12Å; R226-Y230 HydrophobicContact CB-CD2 3.79Å; R226-Y230 HydrophobicContact CB-CE2 4.06Å; R226-Y230 HydrophobicContact CG-CE2 4.5Å; R226-Y230 PolarHBondContact O-N 3.23Å; R226-Y230 VanDerWaalsContact O-N 3.11Å; R226-E355 IonicContact NE-OE1 3.5Å; R226-E355 IonicContact NH2-OE1 3.93Å; R226-E355 IonicContact NH2-OE2 3.48Å
227	L	95.2	Very high	96.5	Very high	40 Å²	40	29.2 Å²	29.2	21%	0.209	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-38.6	179.8	-175	137.5	0	0	0	111.5	G224 R229 G231 D451	G224-L227 PolarHBondContact O-N 3.45Å; L227-R229 PolarHBondContact O-N 3.38Å; L227-G231 VanDerWaalsContact O-CA 3.22Å; L227-G231 WeakPolarHBondContact O-CA 3.32Å; L227-G231 PolarHBondContact O-N 2.98Å; L227-D451 HydrophobicContact CD2-CB 3.83Å; L227-D451 WeakPolarHBondContact CD2-OD2 3.3Å
228	L	95.3	Very high	96.5	Very high	52 Å²	52	29.5 Å²	29.5	27%	0.272	17%	0.172	S	C	.	.	H	α-helix	trans	-50.1	-34.4	175.6	-178.2	59	0	0	0	113.9	R226 L321 F324 D451	R226-L228 VanDerWaalsContact C-N 3.25Å; R226-L228 PolarHBondContact O-N 3.31Å; L228-L321 HydrophobicContact CD2-CD2 3.89Å; L228-L321 HydrophobicContact CD2-CG 3.99Å; L228-F324 HydrophobicContact CD2-CB 4.06Å; L228-D451 PolarHBondContact N-OD2 2.88Å
229	R	97.1	Very high	96.5	Very high	87 Å²	87	29.5 Å²	29.5	33%	0.328	17%	0.172	S	C	.	.	H	α-helix	trans	-99.2	-42.2	-176.2	178.6	58.1	172.8	-76.8	-2	114.1	R226 L227 E319 I320 L321 S357	R226-R229 PolarHBondContact O-N 3.09Å; R226-R229 VanDerWaalsContact O-N 3.12Å; L227-R229 PolarHBondContact O-N 3.38Å; R229-E319 PolarHBondContact NE-O 3.17Å; R229-E319 PolarHBondContact NH1-O 3.48Å; R229-E319 PolarHBondContact NH2-O 3.3Å; R229-E319 VanDerWaalsContact NH2-O 3.12Å; R229-I320 PolarHBondContact NH1-O 3.13Å; R229-L321 WeakPolarHBondContact CD-O 3.21Å; R229-L321 PolarHBondContact NH1-O 2.88Å; R229-S357 PolarHBondContact NH1-O 2.92Å; R229-S357 PolarHBondContact NH2-O 3.31Å
230	Y	97.6	Very high	96.5	Very high	39 Å²	39	28.8 Å²	28.8	15%	0.153	17%	0.166	C	C	.	.	H	α-helix	trans	-103.7	-9.3	-172.3	-56.3	-58.8	0	0	0	113.3	I201 P203 R226 T236 P287	I201-Y230 HydrophobicContact CD1-CE2 3.95Å; I201-Y230 WeakPolarHBondContact CD1-OH 3.36Å; P203-Y230 VanDerWaalsContact O-CB 3.24Å; P203-Y230 WeakPolarHBondContact O-CB 3.02Å; R226-Y230 HydrophobicContact CB-CD2 3.79Å; R226-Y230 HydrophobicContact CB-CE2 4.06Å; R226-Y230 HydrophobicContact CG-CE2 4.5Å; R226-Y230 PolarHBondContact O-N 3.23Å; R226-Y230 VanDerWaalsContact O-N 3.11Å; Y230-T236 VanDerWaalsContact O-CG2 3.25Å; Y230-T236 WeakPolarHBondContact O-CG2 3.35Å; Y230-P287 HydrophobicContact CD1-CB 3.91Å; Y230-P287 HydrophobicContact CD1-CG 3.36Å; Y230-P287 HydrophobicContact CD2-CG 4.49Å; Y230-P287 HydrophobicContact CE1-CB 3.55Å; Y230-P287 HydrophobicContact CE1-CG 3.54Å; Y230-P287 HydrophobicContact CG-CG 3.9Å
231	G	97.2	Very high	96.5	Very high	36 Å²	36	28.3 Å²	28.3	37%	0.371	16%	0.161	S	C	.	.			trans	76.4	-173.3	175.9	0	0	0	0	0	114.1	L227	L227-G231 VanDerWaalsContact O-CA 3.22Å; L227-G231 WeakPolarHBondContact O-CA 3.32Å; L227-G231 PolarHBondContact O-N 2.98Å
232	S	98.1	Very high	96.5	Very high	37 Å²	37	26.3 Å²	26.3	26%	0.259	15%	0.15	S	C	.	.			trans	-71.4	154.5	-179.6	167.9	0	0	0	0	112.5	N221 H234 G235 T236	N221-S232 PolarHBondContact OD1-OG 2.87Å; S232-H234 PolarHBondContact O-N 2.71Å; S232-H234 VanDerWaalsContact O-N 3.17Å; S232-H234 PolarHBondContact OG-CD2 3.01Å; S232-H234 PolarHBondContact OG-N 2.91Å; S232-H234 VanDerWaalsContact OG-N 3.1Å; S232-G235 PolarHBondContact O-N 3.13Å; S232-T236 PolarHBondContact O-N 3.25Å; S232-T236 PolarHBondContact O-OG1 2.82Å
233	L	98.8	Very high	96.6	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-55.3	-26.7	168.4	-66.8	-179.1	0	0	0	113.3	L204 N217 V218 G235 T236 V237 I270 I284	L204-L233 HydrophobicContact CD1-CD1 4.22Å; L204-L233 HydrophobicContact CD1-CD2 4.13Å; L204-L233 HydrophobicContact CD2-CD2 4.09Å; N217-L233 HydrophobicContact CB-CD1 4.32Å; N217-L233 VanDerWaalsContact O-CD1 3.27Å; N217-L233 WeakPolarHBondContact O-CD1 3.32Å; V218-L233 HydrophobicContact CG2-CD1 4.31Å; L233-G235 PolarHBondContact O-N 3.5Å; L233-G235 VanDerWaalsContact O-N 3.14Å; L233-T236 WeakPolarHBondContact CA-OG1 3.38Å; L233-T236 PolarHBondContact O-N 2.93Å; L233-V237 HydrophobicContact CB-CG2 4.08Å; L233-V237 HydrophobicContact CD2-CG2 4.27Å; L233-V237 VanDerWaalsContact O-CB 3.26Å; L233-V237 WeakPolarHBondContact O-CB 3.26Å; L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 3.34Å; L233-I270 HydrophobicContact CB-CG2 4.15Å; L233-I284 HydrophobicContact CD2-CD1 4.04Å
234	H	98.6	Very high	96.8	Very high	73 Å²	73	26.3 Å²	26.3	34%	0.338	15%	0.148	S	C	.	.	H	α-helix	trans	-56.1	-27.3	171.2	-73.7	-65.5	0	0	0	113.5	N221 S232 Q267 I270	N221-H234 PolarHBondContact ND2-CD2 2.94Å; N221-H234 PolarHBondContact ND2-NE2 3.42Å; S232-H234 PolarHBondContact O-N 2.71Å; S232-H234 VanDerWaalsContact O-N 3.17Å; S232-H234 PolarHBondContact OG-CD2 3.01Å; S232-H234 PolarHBondContact OG-N 2.91Å; S232-H234 VanDerWaalsContact OG-N 3.1Å; H234-Q267 PolarHBondContact ND1-OE1 3.17Å; H234-Q267 PolarHBondContact O-NE2 2.89Å; H234-I270 PolarHBondContact CE1-O 3.15Å
235	G	98.4	Very high	97.3	Very high	45 Å²	45	26.1 Å²	26.1	46%	0.464	15%	0.146	S	C	.	.	H	α-helix	trans	-101.3	-27.3	178.7	0	0	0	0	0	115	S232 L233	S232-G235 PolarHBondContact O-N 3.13Å; L233-G235 PolarHBondContact O-N 3.5Å; L233-G235 VanDerWaalsContact O-N 3.14Å
236	T	98.7	Very high	97.9	Very high	14 Å²	14	28.9 Å²	28.9	9%	0.086	16%	0.161	C	C	.	.	H	α-helix	trans	-96.6	-26.2	-174.8	54.8	0	0	0	0	113.4	P203 Y230 S232 L233 L238 I284 L285	P203-T236 HydrophobicContact CB-CG2 3.87Å; P203-T236 HydrophobicContact CG-CG2 4.34Å; Y230-T236 VanDerWaalsContact O-CG2 3.25Å; Y230-T236 WeakPolarHBondContact O-CG2 3.35Å; S232-T236 PolarHBondContact O-N 3.25Å; S232-T236 PolarHBondContact O-OG1 2.82Å; L233-T236 WeakPolarHBondContact CA-OG1 3.38Å; L233-T236 PolarHBondContact O-N 2.93Å; T236-L238 PolarHBondContact O-N 3.24Å; T236-I284 WeakPolarHBondContact O-CG1 3.48Å; T236-L285 PolarHBondContact O-N 3.13Å
237	V	98.9	Very high	98.2	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.018	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	124.7	168.5	175.4	0	0	0	0	108.6	V218 L233 L240 K266 I270 V282 I284	V218-V237 HydrophobicContact CG2-CG2 3.92Å; L233-V237 HydrophobicContact CB-CG2 4.08Å; L233-V237 HydrophobicContact CD2-CG2 4.27Å; L233-V237 VanDerWaalsContact O-CB 3.26Å; L233-V237 WeakPolarHBondContact O-CB 3.26Å; L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 3.34Å; V237-L240 HydrophobicContact CG1-CD2 3.75Å; V237-L240 HydrophobicContact CG1-CG 3.92Å; V237-K266 HydrophobicContact CG1-CD 4.34Å; V237-K266 WeakPolarHBondContact O-CE 3.32Å; V237-I270 HydrophobicContact CB-CD1 3.94Å; V237-I270 HydrophobicContact CG1-CD1 4.12Å; V237-I270 HydrophobicContact CG2-CD1 4.33Å; V237-V282 HydrophobicContact CG1-CG1 4.34Å; V237-V282 HydrophobicContact CG2-CG1 4.41Å; V237-I284 HydrophobicContact CG2-CD1 4.39Å; V237-I284 HydrophobicContact CG2-CG1 4.48Å
238	L	98.9	Very high	98.4	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.063	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-33	179.4	-58	-176.8	0	0	0	111.8	I179 T236 S254 K266 S283 L285	I179-L238 HydrophobicContact CB-CD1 4.47Å; I179-L238 HydrophobicContact CD1-CD1 3.51Å; I179-L238 HydrophobicContact CG1-CD1 3.69Å; I179-L238 HydrophobicContact CG2-CD1 3.98Å; T236-L238 PolarHBondContact O-N 3.24Å; L238-S254 CarbonylContact C-O 3.55Å; L238-K266 WeakPolarHBondContact O-CD 2.93Å; L238-K266 WeakPolarHBondContact O-CE 3.4Å; L238-S283 PolarHBondContact N-O 2.92Å; L238-L285 HydrophobicContact CD1-CB 4.22Å; L238-L285 HydrophobicContact CD2-CB 4.34Å; L238-L285 HydrophobicContact CG-CB 4.27Å
239	G	98.9	Very high	98.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	158.3	-178.1	0	0	0	0	0	113.3	C252 S254 S283	G239-C252 CarbonylContact C-O 3.48Å; G239-C252 WeakPolarHBondContact CA-O 3.17Å; G239-S254 PolarHBondContact N-O 3.47Å; G239-S283 PolarHBondContact N-O 3.28Å; G239-S283 PolarHBondContact O-N 3.04Å
240	L	98.9	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141	178.2	-63.5	177.5	0	0	0	110.7	V218 V237 V242 C252 L253 K266 F269 I270 I279 A281 V282	V218-L240 HydrophobicContact CG1-CD1 3.95Å; V218-L240 HydrophobicContact CG1-CD2 3.95Å; V237-L240 HydrophobicContact CG1-CD2 3.75Å; V237-L240 HydrophobicContact CG1-CG 3.92Å; L240-V242 HydrophobicContact CB-CG2 3.97Å; L240-C252 PolarHBondContact N-O 3.06Å; L240-C252 CarbonylContact O-C 3.55Å; L240-C252 WeakPolarHBondContact O-CA 3.22Å; L240-C252 VanDerWaalsContact O-CB 3.3Å; L240-C252 WeakPolarHBondContact O-CB 3.21Å; L240-C252 PolarHBondContact O-N 3.09Å; L240-L253 PolarHBondContact O-N 3.21Å; L240-K266 HydrophobicContact CB-CB 4.32Å; L240-K266 HydrophobicContact CD1-CB 4.05Å; L240-K266 HydrophobicContact CG-CB 4.13Å; L240-F269 HydrophobicContact CD1-CB 4.11Å; L240-I270 HydrophobicContact CD1-CG1 4Å; L240-I279 HydrophobicContact CD1-CD1 4.31Å; L240-I279 HydrophobicContact CD2-CG2 4.07Å; L240-A281 WeakPolarHBondContact CA-O 3.34Å; L240-V282 HydrophobicContact CD2-CB 4.16Å; L240-V282 HydrophobicContact CD2-CG1 3.96Å; L240-V282 HydrophobicContact CD2-CG2 3.79Å
241	E	98.9	Very high	98.7	Very high	35 Å²	35	32.4 Å²	32.4	16%	0.164	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.6	161.2	-171.2	-178.3	-128.5	0	0	108	T123 V249 L253 T280 A281	T123-E241 WeakPolarHBondContact CB-OE2 3.42Å; T123-E241 HydrophobicContact CG2-CG 4.1Å; T123-E241 WeakPolarHBondContact CG2-OE2 3.38Å; T123-E241 PolarHBondContact OG1-OE2 2.89Å; E241-V249 HydrophobicContact CG-CG1 3.95Å; E241-L253 HydrophobicContact CB-CB 4.4Å; E241-L253 HydrophobicContact CB-CD1 4.49Å; E241-L253 HydrophobicContact CB-CD2 4.4Å; E241-T280 PolarHBondContact O-N 2.92Å; E241-T280 PolarHBondContact O-OG1 3.39Å; E241-T280 PolarHBondContact OE2-OG1 3.38Å; E241-A281 HydrophobicContact CB-CB 3.88Å; E241-A281 PolarHBondContact N-O 3.05Å; E241-A281 PolarHBondContact O-N 2.82Å
242	V	98.9	Very high	98.7	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.5	-174	-173.8	0	0	0	0	110.2	L240 L244 L250 F269 V278 I279	L240-V242 HydrophobicContact CB-CG2 3.97Å; V242-L244 HydrophobicContact CG1-CD2 4.5Å; V242-L250 PolarHBondContact N-O 3.08Å; V242-L250 PolarHBondContact O-N 3.39Å; V242-F269 HydrophobicContact CB-CE1 4.49Å; V242-F269 HydrophobicContact CG1-CD1 3.75Å; V242-F269 HydrophobicContact CG1-CE1 3.75Å; V242-F269 HydrophobicContact CG1-CG 4.27Å; V242-F269 HydrophobicContact CG1-CZ 4.28Å; V242-F269 HydrophobicContact CG2-CB 4.33Å; V242-F269 HydrophobicContact CG2-CD1 4.29Å; V242-F269 HydrophobicContact CG2-CD2 4.04Å; V242-F269 HydrophobicContact CG2-CE2 4.43Å; V242-F269 HydrophobicContact CG2-CG 3.95Å; V242-V278 CarbonylContact C-O 3.37Å; V242-V278 WeakPolarHBondContact CA-O 3.37Å; V242-I279 HydrophobicContact CG2-CG1 4.2Å
243	V	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.5	170.3	-170.8	0	0	0	0	109.3	T123 V126 L130 Q248 V249 G277 V278 T280	T123-V243 HydrophobicContact CG2-CG2 3.71Å; V126-V243 HydrophobicContact CB-CG2 4.07Å; V126-V243 HydrophobicContact CG1-CB 3.82Å; V126-V243 HydrophobicContact CG1-CG1 4.16Å; V126-V243 HydrophobicContact CG1-CG2 3.78Å; L130-V243 HydrophobicContact CB-CG1 4.46Å; L130-V243 HydrophobicContact CD1-CB 4.03Å; L130-V243 HydrophobicContact CD1-CG1 3.72Å; V243-Q248 WeakPolarHBondContact CA-O 3.21Å; V243-V249 HydrophobicContact CG2-CG2 4.32Å; V243-G277 CarbonylContact O-C 3.54Å; V243-G277 VanDerWaalsContact O-CA 3.32Å; V243-G277 WeakPolarHBondContact O-CA 3.32Å; V243-V278 PolarHBondContact N-O 3.09Å; V243-V278 PolarHBondContact O-N 2.91Å; V243-T280 HydrophobicContact CG2-CG2 3.76Å
244	L	98.9	Very high	98.6	Very high	14 Å²	14	33.8 Å²	33.8	7%	0.073	19%	0.192	C	C	.	.			trans	-75.9	169.3	178.9	-57.8	-175.2	0	0	0	111.7	L130 V242 D246 G247 Q248 F269 L519	L130-L244 WeakPolarHBondContact CD1-O 3.33Å; V242-L244 HydrophobicContact CG1-CD2 4.5Å; L244-D246 PolarHBondContact O-N 3.31Å; L244-G247 PolarHBondContact O-N 3.37Å; L244-Q248 HydrophobicContact CB-CB 4.48Å; L244-Q248 HydrophobicContact CD1-CB 4.47Å; L244-Q248 PolarHBondContact N-O 3.11Å; L244-F269 HydrophobicContact CD2-CE1 3.92Å; L244-F269 HydrophobicContact CD2-CZ 3.93Å; L244-L519 HydrophobicContact CD1-CD2 4.34Å; L244-L519 HydrophobicContact CD2-CD2 4.34Å
245	A	98.8	Very high	98.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.008	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.9	-174.7	0	0	0	0	0	113.4	H134 G247 D520 I524 L525	H134-A245 WeakPolarHBondContact CB-O 3.4Å; A245-G247 PolarHBondContact O-N 2.92Å; A245-D520 HydrophobicContact CB-CB 3.73Å; A245-D520 WeakPolarHBondContact CB-OD1 3.27Å; A245-I524 HydrophobicContact CB-CD1 4.28Å; A245-I524 HydrophobicContact CB-CG1 4.09Å; A245-I524 WeakPolarHBondContact O-CD1 2.97Å; A245-L525 HydrophobicContact CB-CD1 3.75Å; A245-L525 HydrophobicContact CB-CG 3.84Å
246	D	98.7	Very high	98.6	Very high	72 Å²	72	36.3 Å²	36.3	39%	0.385	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-1.3	178.2	67.9	-7.7	0	0	0	114.2	S131 L244 Q248	S131-D246 VanDerWaalsContact CA-O 3.29Å; S131-D246 WeakPolarHBondContact CA-O 3.38Å; S131-D246 WeakPolarHBondContact CB-O 3.41Å; S131-D246 PolarHBondContact OG-O 3.05Å; L244-D246 PolarHBondContact O-N 3.31Å; D246-Q248 VanDerWaalsContact OD1-CB 3.28Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.3Å; D246-Q248 PolarHBondContact OD1-N 3.1Å
247	G	98.8	Very high	98.5	Very high	5 Å²	5	42.9 Å²	42.9	5%	0.052	22%	0.222	C	C	.	.	S	Bend	trans	91.1	-1.2	-177.1	0	0	0	0	0	114.7	S127 L244 A245 V249	S127-G247 WeakPolarHBondContact CB-O 3.38Å; S127-G247 WeakPolarHBondContact O-CA 3.38Å; S127-G247 PolarHBondContact OG-O 3.14Å; L244-G247 PolarHBondContact O-N 3.37Å; A245-G247 PolarHBondContact O-N 2.92Å; G247-V249 PolarHBondContact O-N 3.2Å
248	Q	98.8	Very high	98.5	Very high	119 Å²	119	51.3 Å²	51.3	56%	0.556	26%	0.259	S	S	*	.			trans	-62	131	175.2	-175.9	174.8	57	0	0	110.6	V243 L244 D246	V243-Q248 WeakPolarHBondContact CA-O 3.21Å; L244-Q248 HydrophobicContact CB-CB 4.48Å; L244-Q248 HydrophobicContact CD1-CB 4.47Å; L244-Q248 PolarHBondContact N-O 3.11Å; D246-Q248 VanDerWaalsContact OD1-CB 3.28Å; D246-Q248 WeakPolarHBondContact OD1-CB 3.3Å; D246-Q248 PolarHBondContact OD1-N 3.1Å
249	V	98.9	Very high	98.5	Very high	53 Å²	53	54.3 Å²	54.3	32%	0.321	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	117.1	172.4	-174.9	0	0	0	0	108.7	T123 E241 V243 G247	T123-V249 HydrophobicContact CG2-CG1 3.81Å; T123-V249 HydrophobicContact CG2-CG2 4.01Å; E241-V249 HydrophobicContact CG-CG1 3.95Å; V243-V249 HydrophobicContact CG2-CG2 4.32Å; G247-V249 PolarHBondContact O-N 3.2Å
250	L	98.7	Very high	98.4	Very high	42 Å²	42	61.6 Å²	61.6	22%	0.22	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	105.8	171.3	-179.3	64.7	0	0	0	108.8	V242 C252 F269	V242-L250 PolarHBondContact N-O 3.08Å; V242-L250 PolarHBondContact O-N 3.39Å; L250-C252 PolarHBondContact O-N 3.35Å; L250-F269 HydrophobicContact CD2-CE2 3.59Å; L250-F269 HydrophobicContact CD2-CZ 3.67Å
251	D	98.4	Very high	98.3	Very high	115 Å²	115	67.7 Å²	67.7	62%	0.615	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	103.8	174.4	-176.6	7.7	0	0	0	110.2	L253	D251-L253 WeakPolarHBondContact OD1-CB 3.44Å; D251-L253 PolarHBondContact OD1-N 3.42Å
252	C	98.1	Very high	98.3	Very high	34 Å²	34	68.9 Å²	68.9	23%	0.23	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	28.1	167.3	-66.2	0	0	0	0	109.8	G239 L240 L250 S254	G239-C252 CarbonylContact C-O 3.48Å; G239-C252 WeakPolarHBondContact CA-O 3.17Å; L240-C252 PolarHBondContact N-O 3.06Å; L240-C252 CarbonylContact O-C 3.55Å; L240-C252 WeakPolarHBondContact O-CA 3.22Å; L240-C252 VanDerWaalsContact O-CB 3.3Å; L240-C252 WeakPolarHBondContact O-CB 3.21Å; L240-C252 PolarHBondContact O-N 3.09Å; L250-C252 PolarHBondContact O-N 3.35Å; C252-S254 PolarHBondContact O-N 3.45Å
253	L	98.2	Very high	98.3	Very high	41 Å²	41	79 Å²	79	22%	0.215	41%	0.412	C	S	.	.			trans	-80.7	51.2	-171.2	-164.4	65.6	0	0	0	112	T181 L240 E241 D251 A281	T181-L253 HydrophobicContact CG2-CD1 4.16Å; T181-L253 HydrophobicContact CG2-CD2 3.89Å; T181-L253 HydrophobicContact CG2-CG 4.14Å; L240-L253 PolarHBondContact O-N 3.21Å; E241-L253 HydrophobicContact CB-CB 4.4Å; E241-L253 HydrophobicContact CB-CD1 4.49Å; E241-L253 HydrophobicContact CB-CD2 4.4Å; D251-L253 WeakPolarHBondContact OD1-CB 3.44Å; D251-L253 PolarHBondContact OD1-N 3.42Å; L253-A281 HydrophobicContact CD1-CB 3.98Å; L253-A281 HydrophobicContact CD2-CB 3.94Å
254	S	97.3	Very high	98.3	Very high	29 Å²	29	82.9 Å²	82.9	20%	0.203	43%	0.433	C	S	.	.			trans	-65.1	143.6	176.9	-172.4	0	0	0	0	112	L238 G239 C252 L256 S283	L238-S254 CarbonylContact C-O 3.55Å; G239-S254 PolarHBondContact N-O 3.47Å; C252-S254 PolarHBondContact O-N 3.45Å; S254-L256 PolarHBondContact OG-N 3.45Å; S254-S283 WeakPolarHBondContact O-CB 3.48Å; S254-S283 PolarHBondContact O-OG 3.05Å
255	T	98.3	Very high	98.2	Very high	71 Å²	71	85.5 Å²	85.5	44%	0.436	45%	0.447	S	S	.	.			trans	-112.1	15.5	171.1	57.5	0	0	0	0	111.2	I179	I179-T255 WeakPolarHBondContact CD1-O 3.46Å; I179-T255 HydrophobicContact CG2-CG2 4.23Å
256	L	98.3	Very high	98.2	Very high	100 Å²	100	86.7 Å²	86.7	52%	0.524	45%	0.452	S	S	.	.			trans	-88.2	137.6	179.8	-61.7	178.3	0	0	0	110.9	S254 K258 D259	S254-L256 PolarHBondContact OG-N 3.45Å; L256-K258 PolarHBondContact O-N 3.33Å; L256-D259 HydrophobicContact CB-CB 4.35Å; L256-D259 HydrophobicContact CD1-CB 4.33Å
257	R	96.9	Very high	98.2	Very high	152 Å²	152	85.7 Å²	85.7	57%	0.574	45%	0.445	S	S	*	.	S	Bend	trans	-67.3	-26.6	175.2	-172.6	63.4	-171.3	99.9	-13.2	112.8
258	K	98.1	Very high	98.2	Very high	180 Å²	180	88.6 Å²	88.6	78%	0.783	46%	0.459	S	S	*	.			trans	-143.3	126.1	179.9	-67.6	175.8	62.7	-176.5	0	109.1	L256	L256-K258 PolarHBondContact O-N 3.33Å
259	D	97.8	Very high	98.2	Very high	75 Å²	75	83.1 Å²	83.1	40%	0.401	43%	0.433	S	S	.	.			trans	-153	112.5	176.4	-176.1	1.6	0	0	0	108.7	L256 T261	L256-D259 HydrophobicContact CB-CB 4.35Å; L256-D259 HydrophobicContact CD1-CB 4.33Å; D259-T261 WeakPolarHBondContact OD1-CB 3.45Å; D259-T261 VanDerWaalsContact OD1-CG2 3.31Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.37Å; D259-T261 PolarHBondContact OD1-N 3.22Å; D259-T261 PolarHBondContact OD1-OG1 3.02Å
260	N	97.9	Very high	98.2	Very high	153 Å²	153	80.9 Å²	80.9	82%	0.818	42%	0.42	S	S	*	.			trans	-115.4	33.6	-176.8	-70.5	-3.3	0	0	0	111.1	G262	N260-G262 PolarHBondContact O-N 2.76Å
261	T	97.5	Very high	98.2	Very high	129 Å²	129	80.4 Å²	80.4	79%	0.791	42%	0.424	S	S	*	.	S	Bend	trans	-87	40.7	-175.8	56.3	0	0	0	0	113.8	D259	D259-T261 WeakPolarHBondContact OD1-CB 3.45Å; D259-T261 VanDerWaalsContact OD1-CG2 3.31Å; D259-T261 WeakPolarHBondContact OD1-CG2 3.37Å; D259-T261 PolarHBondContact OD1-N 3.22Å; D259-T261 PolarHBondContact OD1-OG1 3.02Å
262	G	98.2	Very high	98.3	Very high	60 Å²	60	75.3 Å²	75.3	62%	0.619	40%	0.398	S	S	*	.	S	Bend	trans	133.2	-154.6	179.3	0	0	0	0	0	112.7	N260	N260-G262 PolarHBondContact O-N 2.76Å
263	Y	98.4	Very high	98.3	Very high	214 Å²	214	74.8 Å²	74.8	84%	0.839	39%	0.392	S	S	*	.			trans	-74.8	142.1	175.6	-56.4	-34.9	0	0	0	111.2	L265	Y263-L265 VanDerWaalsContact C-N 3.25Å; Y263-L265 PolarHBondContact O-N 3.32Å
264	D	98.5	Very high	98.3	Very high	82 Å²	82	73.2 Å²	73.2	44%	0.439	39%	0.385	S	S	.	.			trans	-79.7	71.8	176.9	-166.8	4.4	0	0	0	111.2	K266 Q267	D264-K266 PolarHBondContact O-N 3.17Å; D264-K266 WeakPolarHBondContact OD1-CG 3.2Å; D264-K266 IonicContact OD1-NZ 2.97Å; D264-K266 PolarHBondContact OD1-NZ 2.92Å; D264-K266 IonicContact OD2-NZ 2.83Å; D264-K266 PolarHBondContact OD2-NZ 3.2Å; D264-Q267 HydrophobicContact CB-CG 3.88Å; D264-Q267 VanDerWaalsContact CG-CG 3.41Å; D264-Q267 VanDerWaalsContact O-CB 3.31Å; D264-Q267 WeakPolarHBondContact O-CB 3.33Å; D264-Q267 VanDerWaalsContact O-CG 3.28Å; D264-Q267 WeakPolarHBondContact O-CG 3.32Å; D264-Q267 PolarHBondContact O-N 3.34Å; D264-Q267 VanDerWaalsContact O-N 3.13Å; D264-Q267 WeakPolarHBondContact OD2-CG 3.36Å; D264-Q267 PolarHBondContact OD2-NE2 3.39Å
265	L	98.6	Very high	98.4	Very high	69 Å²	69	72.1 Å²	72.1	36%	0.361	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-60.4	-30.1	-170.2	-67.5	179.5	0	0	0	113.7	Y263 Q267 L268 F269	Y263-L265 VanDerWaalsContact C-N 3.25Å; Y263-L265 PolarHBondContact O-N 3.32Å; L265-Q267 PolarHBondContact O-N 3.32Å; L265-Q267 VanDerWaalsContact O-N 3.09Å; L265-L268 HydrophobicContact CD2-CD1 4.28Å; L265-L268 WeakPolarHBondContact O-CB 3.32Å; L265-L268 PolarHBondContact O-N 2.96Å; L265-L268 VanDerWaalsContact O-N 3.08Å; L265-F269 WeakPolarHBondContact O-CD2 3.49Å; L265-F269 WeakPolarHBondContact O-CE2 3.49Å
266	K	98.6	Very high	98.4	Very high	25 Å²	25	69.5 Å²	69.5	11%	0.109	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-56.1	-31.4	178.9	83	-172.4	178.1	-79.2	0	111.5	V237 L238 L240 D264 L268 F269 I270	V237-K266 HydrophobicContact CG1-CD 4.34Å; V237-K266 WeakPolarHBondContact O-CE 3.32Å; L238-K266 WeakPolarHBondContact O-CD 2.93Å; L238-K266 WeakPolarHBondContact O-CE 3.4Å; L240-K266 HydrophobicContact CB-CB 4.32Å; L240-K266 HydrophobicContact CD1-CB 4.05Å; L240-K266 HydrophobicContact CG-CB 4.13Å; D264-K266 PolarHBondContact O-N 3.17Å; D264-K266 WeakPolarHBondContact OD1-CG 3.2Å; D264-K266 IonicContact OD1-NZ 2.97Å; D264-K266 PolarHBondContact OD1-NZ 2.92Å; D264-K266 IonicContact OD2-NZ 2.83Å; D264-K266 PolarHBondContact OD2-NZ 3.2Å; K266-L268 PolarHBondContact O-N 3.39Å; K266-F269 PolarHBondContact O-N 3.39Å; K266-I270 PolarHBondContact O-N 3.01Å
267	Q	98.8	Very high	98.5	Very high	52 Å²	52	64.8 Å²	64.8	24%	0.243	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-61.7	-27.9	-178.1	-58.9	-65.4	-7.4	0	0	113.1	H234 D264 L265 F269	H234-Q267 PolarHBondContact ND1-OE1 3.17Å; H234-Q267 PolarHBondContact O-NE2 2.89Å; D264-Q267 HydrophobicContact CB-CG 3.88Å; D264-Q267 VanDerWaalsContact CG-CG 3.41Å; D264-Q267 VanDerWaalsContact O-CB 3.31Å; D264-Q267 WeakPolarHBondContact O-CB 3.33Å; D264-Q267 VanDerWaalsContact O-CG 3.28Å; D264-Q267 WeakPolarHBondContact O-CG 3.32Å; D264-Q267 PolarHBondContact O-N 3.34Å; D264-Q267 VanDerWaalsContact O-N 3.13Å; D264-Q267 WeakPolarHBondContact OD2-CG 3.36Å; D264-Q267 PolarHBondContact OD2-NE2 3.39Å; L265-Q267 PolarHBondContact O-N 3.32Å; L265-Q267 VanDerWaalsContact O-N 3.09Å; Q267-F269 PolarHBondContact O-N 3.41Å
268	L	98.7	Very high	98.5	Very high	66 Å²	66	57.7 Å²	57.7	35%	0.346	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-66.4	-26.7	177.9	-63	175.9	0	0	0	112.2	L265 K266 S272 L276 M515	L265-L268 HydrophobicContact CD2-CD1 4.28Å; L265-L268 WeakPolarHBondContact O-CB 3.32Å; L265-L268 PolarHBondContact O-N 2.96Å; L265-L268 VanDerWaalsContact O-N 3.08Å; K266-L268 PolarHBondContact O-N 3.39Å; L268-S272 WeakPolarHBondContact O-CB 3.22Å; L268-L276 WeakPolarHBondContact O-CD1 3.07Å; L268-M515 HydrophobicContact CD2-CE 4.18Å; L268-M515 HydrophobicContact CD2-SD 4.05Å
269	F	98.9	Very high	98.6	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-18.4	-176	-54.4	-79.5	0	0	0	113	L240 V242 L244 L250 L265 K266 Q267 G271 S272 L276 L519	L240-F269 HydrophobicContact CD1-CB 4.11Å; V242-F269 HydrophobicContact CB-CE1 4.49Å; V242-F269 HydrophobicContact CG1-CD1 3.75Å; V242-F269 HydrophobicContact CG1-CE1 3.75Å; V242-F269 HydrophobicContact CG1-CG 4.27Å; V242-F269 HydrophobicContact CG1-CZ 4.28Å; V242-F269 HydrophobicContact CG2-CB 4.33Å; V242-F269 HydrophobicContact CG2-CD1 4.29Å; V242-F269 HydrophobicContact CG2-CD2 4.04Å; V242-F269 HydrophobicContact CG2-CE2 4.43Å; V242-F269 HydrophobicContact CG2-CG 3.95Å; L244-F269 HydrophobicContact CD2-CE1 3.92Å; L244-F269 HydrophobicContact CD2-CZ 3.93Å; L250-F269 HydrophobicContact CD2-CE2 3.59Å; L250-F269 HydrophobicContact CD2-CZ 3.67Å; L265-F269 WeakPolarHBondContact O-CD2 3.49Å; L265-F269 WeakPolarHBondContact O-CE2 3.49Å; K266-F269 PolarHBondContact O-N 3.39Å; Q267-F269 PolarHBondContact O-N 3.41Å; F269-G271 PolarHBondContact O-N 3.03Å; F269-S272 PolarHBondContact O-N 2.83Å; F269-S272 PolarHBondContact O-OG 3.47Å; F269-L276 HydrophobicContact CD1-CB 4.04Å; F269-L276 HydrophobicContact CE1-CB 4.01Å; F269-L519 HydrophobicContact CE1-CD1 4.44Å; F269-L519 HydrophobicContact CZ-CD1 4.49Å
270	I	98.9	Very high	98.6	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.036	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	114.4	172.7	-52.2	-177.6	0	0	0	108	V218 N221 L233 H234 V237 L240 K266	V218-I270 HydrophobicContact CG1-CB 4.31Å; V218-I270 HydrophobicContact CG1-CG1 3.79Å; V218-I270 HydrophobicContact CG1-CG2 4.37Å; V218-I270 WeakPolarHBondContact O-CA 3.36Å; N221-I270 HydrophobicContact CB-CG2 3.95Å; L233-I270 HydrophobicContact CB-CG2 4.15Å; H234-I270 PolarHBondContact CE1-O 3.15Å; V237-I270 HydrophobicContact CB-CD1 3.94Å; V237-I270 HydrophobicContact CG1-CD1 4.12Å; V237-I270 HydrophobicContact CG2-CD1 4.33Å; L240-I270 HydrophobicContact CD1-CG1 4Å; K266-I270 PolarHBondContact O-N 3.01Å
271	G	98.7	Very high	98.7	Very high	31 Å²	31	38.9 Å²	38.9	32%	0.32	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	9.7	-174.4	0	0	0	0	0	115.2	V218 A219 F269 E273	V218-G271 PolarHBondContact O-N 2.89Å; A219-G271 CarbonylContact O-C 3.57Å; A219-G271 WeakPolarHBondContact O-CA 3.43Å; A219-G271 PolarHBondContact O-N 3.24Å; F269-G271 PolarHBondContact O-N 3.03Å; G271-E273 VanDerWaalsContact C-N 3.31Å
272	S	98.8	Very high	98.8	Very high	9 Å²	9	32.8 Å²	32.8	6%	0.063	18%	0.181	C	C	.	.			trans	-82.4	-7	179.5	79.1	0	0	0	0	114.4	A219 L268 F269 G274 T275	A219-S272 PolarHBondContact O-N 2.98Å; A219-S272 VanDerWaalsContact O-N 3.16Å; L268-S272 WeakPolarHBondContact O-CB 3.22Å; F269-S272 PolarHBondContact O-N 2.83Å; F269-S272 PolarHBondContact O-OG 3.47Å; S272-G274 PolarHBondContact O-N 3.04Å; S272-G274 VanDerWaalsContact O-N 3.15Å; S272-T275 WeakPolarHBondContact O-CB 3.47Å; S272-T275 PolarHBondContact O-N 3.38Å; S272-T275 PolarHBondContact O-OG1 2.85Å
273	E	98.8	Very high	98.8	Very high	23 Å²	23	29.9 Å²	29.9	11%	0.107	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	38.7	177.2	-60.4	179.3	-128.4	0	0	113.5	A219 G271 T275 G491 L492 G493 N526 T530	A219-E273 WeakPolarHBondContact O-CA 3.29Å; A219-E273 PolarHBondContact O-N 3.35Å; G271-E273 VanDerWaalsContact C-N 3.31Å; E273-T275 PolarHBondContact O-N 2.95Å; E273-G491 WeakPolarHBondContact OE1-CA 3.1Å; E273-L492 PolarHBondContact OE1-N 3.11Å; E273-G493 WeakPolarHBondContact OE2-CA 3.3Å; E273-G493 PolarHBondContact OE2-N 3.18Å; E273-N526 PolarHBondContact O-ND2 3.36Å; E273-T530 HydrophobicContact CB-CG2 3.59Å; E273-T530 VanDerWaalsContact CD-CG2 3.44Å; E273-T530 HydrophobicContact CG-CG2 4.06Å; E273-T530 VanDerWaalsContact OE2-CG2 3.24Å; E273-T530 WeakPolarHBondContact OE2-CG2 3.2Å
274	G	98.7	Very high	98.8	Very high	7 Å²	7	19.7 Å²	19.7	7%	0.072	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	8.9	178.1	0	0	0	0	0	115.3	S272	S272-G274 PolarHBondContact O-N 3.04Å; S272-G274 VanDerWaalsContact O-N 3.15Å
275	T	98.9	Very high	98.8	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.043	10%	0.099	C	C	.	.	S	Bend	trans	-82	-20.7	-178.9	63.2	0	0	0	0	113.6	S272 E273 K516 N526 T530	S272-T275 WeakPolarHBondContact O-CB 3.47Å; S272-T275 PolarHBondContact O-N 3.38Å; S272-T275 PolarHBondContact O-OG1 2.85Å; E273-T275 PolarHBondContact O-N 2.95Å; T275-K516 VanDerWaalsContact O-CD 3.32Å; T275-K516 WeakPolarHBondContact O-CD 3.34Å; T275-K516 PolarHBondContact O-NZ 3.5Å; T275-N526 HydrophobicContact CG2-CB 4.22Å; T275-T530 HydrophobicContact CG2-CG2 4.09Å
276	L	98.9	Very high	98.8	Very high	15 Å²	15	14.4 Å²	14.4	8%	0.079	8%	0.083	C	C	.	.	S	Bend	trans	-106.6	-14.9	-176.9	-58.8	-176.1	0	0	0	113.5	L268 F269 K516 L519	L268-L276 WeakPolarHBondContact O-CD1 3.07Å; F269-L276 HydrophobicContact CD1-CB 4.04Å; F269-L276 HydrophobicContact CE1-CB 4.01Å; L276-K516 HydrophobicContact CD2-CB 4.09Å; L276-K516 HydrophobicContact CD2-CD 4.09Å; L276-L519 HydrophobicContact CB-CD1 3.97Å; L276-L519 HydrophobicContact CD1-CD1 4.14Å; L276-L519 HydrophobicContact CD2-CB 4.48Å; L276-L519 HydrophobicContact CD2-CD1 4.23Å; L276-L519 HydrophobicContact CG-CD1 4.33Å
277	G	98.9	Very high	98.8	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	9%	0.087	C	C	.	.			trans	170	167.1	-176.2	0	0	0	0	0	111.2	V243	V243-G277 CarbonylContact O-C 3.54Å; V243-G277 VanDerWaalsContact O-CA 3.32Å; V243-G277 WeakPolarHBondContact O-CA 3.32Å
278	V	98.9	Very high	98.8	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.024	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	113.4	175.3	179.6	0	0	0	0	109	V126 L130 P142 L162 V242 V243 T280 L525	V126-V278 HydrophobicContact CG1-CB 4.11Å; V126-V278 HydrophobicContact CG1-CG1 3.98Å; L130-V278 HydrophobicContact CD1-CB 4.25Å; L130-V278 HydrophobicContact CD1-CG2 3.81Å; P142-V278 HydrophobicContact CB-CG2 4.18Å; P142-V278 HydrophobicContact CG-CG2 3.77Å; L162-V278 HydrophobicContact CD2-CG1 3.93Å; V242-V278 CarbonylContact C-O 3.37Å; V242-V278 WeakPolarHBondContact CA-O 3.37Å; V243-V278 PolarHBondContact N-O 3.09Å; V243-V278 PolarHBondContact O-N 2.91Å; V278-T280 HydrophobicContact CG1-CG2 4.47Å; V278-T280 PolarHBondContact O-N 2.97Å; V278-L525 HydrophobicContact CG2-CD2 4.34Å
279	I	98.9	Very high	98.8	Very high	12 Å²	12	19.2 Å²	19.2	6%	0.062	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	129	173.9	-59.4	171.5	0	0	0	108.4	A184 V218 A219 L240 V242 V282	A184-I279 HydrophobicContact CB-CG2 4.31Å; A184-I279 WeakPolarHBondContact CB-O 3.41Å; V218-I279 HydrophobicContact CB-CD1 3.98Å; V218-I279 HydrophobicContact CG1-CD1 3.59Å; A219-I279 HydrophobicContact CB-CD1 4.24Å; L240-I279 HydrophobicContact CD1-CD1 4.31Å; L240-I279 HydrophobicContact CD2-CG2 4.07Å; V242-I279 HydrophobicContact CG2-CG1 4.2Å; I279-V282 HydrophobicContact CG2-CG2 3.84Å
280	T	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-28.9	-176.3	49.2	0	0	0	0	113.3	T123 V126 M167 Q183 A184 E241 V243 V278	T123-T280 HydrophobicContact CG2-CG2 4.23Å; T123-T280 WeakPolarHBondContact OG1-CB 3.23Å; T123-T280 PolarHBondContact OG1-OG1 3.31Å; V126-T280 HydrophobicContact CB-CG2 4.09Å; V126-T280 HydrophobicContact CG1-CG2 4.09Å; V126-T280 HydrophobicContact CG2-CG2 3.91Å; M167-T280 HydrophobicContact CE-CG2 3.87Å; M167-T280 HydrophobicContact SD-CG2 4.3Å; Q183-T280 WeakPolarHBondContact CA-O 3.49Å; A184-T280 WeakPolarHBondContact CB-O 3.5Å; A184-T280 PolarHBondContact N-O 3.4Å; E241-T280 PolarHBondContact O-N 2.92Å; E241-T280 PolarHBondContact O-OG1 3.39Å; E241-T280 PolarHBondContact OE2-OG1 3.38Å; V243-T280 HydrophobicContact CG2-CG2 3.76Å; V278-T280 HydrophobicContact CG1-CG2 4.47Å; V278-T280 PolarHBondContact O-N 2.97Å
281	A	98.9	Very high	98.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.4	170.3	0	0	0	0	0	111.9	L171 C182 L240 E241 L253	L171-A281 HydrophobicContact CD1-CB 4.25Å; C182-A281 CarbonylContact O-C 3.09Å; C182-A281 VanDerWaalsContact O-CA 3.32Å; C182-A281 WeakPolarHBondContact O-CA 3.41Å; L240-A281 WeakPolarHBondContact CA-O 3.34Å; E241-A281 HydrophobicContact CB-CB 3.88Å; E241-A281 PolarHBondContact N-O 3.05Å; E241-A281 PolarHBondContact O-N 2.82Å; L253-A281 HydrophobicContact CD1-CB 3.98Å; L253-A281 HydrophobicContact CD2-CB 3.94Å
282	V	98.9	Very high	98.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.2	-177.9	-176	0	0	0	0	109.4	T181 C182 I214 V218 V237 L240 I279 I284	T181-V282 WeakPolarHBondContact CA-O 3.47Å; C182-V282 PolarHBondContact N-O 3.4Å; C182-V282 PolarHBondContact O-N 3.03Å; I214-V282 HydrophobicContact CG1-CB 4.34Å; I214-V282 HydrophobicContact CG1-CG1 4.28Å; I214-V282 HydrophobicContact CG1-CG2 4.34Å; I214-V282 HydrophobicContact CG2-CG2 4.27Å; V218-V282 HydrophobicContact CG2-CG1 4.06Å; V218-V282 HydrophobicContact CG2-CG2 4.14Å; V237-V282 HydrophobicContact CG1-CG1 4.34Å; V237-V282 HydrophobicContact CG2-CG1 4.41Å; L240-V282 HydrophobicContact CD2-CB 4.16Å; L240-V282 HydrophobicContact CD2-CG1 3.96Å; L240-V282 HydrophobicContact CD2-CG2 3.79Å; I279-V282 HydrophobicContact CG2-CG2 3.84Å; V282-I284 HydrophobicContact CG1-CB 4.3Å
283	S	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	122.9	165.6	168.4	0	0	0	0	108.5	L180 L238 G239 S254	L180-S283 CarbonylContact O-C 3.57Å; L180-S283 WeakPolarHBondContact O-CA 3.32Å; L238-S283 PolarHBondContact N-O 2.92Å; G239-S283 PolarHBondContact N-O 3.28Å; G239-S283 PolarHBondContact O-N 3.04Å; S254-S283 WeakPolarHBondContact O-CB 3.48Å; S254-S283 PolarHBondContact O-OG 3.05Å
284	I	98.9	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	141.2	-172	-165.2	169.2	0	0	0	111.4	L180 M202 P203 L204 I214 L233 T236 V237 V282	L180-I284 HydrophobicContact CB-CG2 4.02Å; L180-I284 HydrophobicContact CD2-CG2 4.17Å; L180-I284 HydrophobicContact CG-CG2 4.39Å; L180-I284 PolarHBondContact N-O 2.9Å; L180-I284 PolarHBondContact O-N 3.31Å; M202-I284 HydrophobicContact CE-CD1 4.19Å; M202-I284 HydrophobicContact CE-CG2 4.41Å; P203-I284 HydrophobicContact CG-CD1 3.59Å; P203-I284 HydrophobicContact CG-CG1 3.92Å; L204-I284 HydrophobicContact CD2-CD1 4.29Å; I214-I284 HydrophobicContact CD1-CD1 4.35Å; L233-I284 HydrophobicContact CD2-CD1 4.04Å; T236-I284 WeakPolarHBondContact O-CG1 3.48Å; V237-I284 HydrophobicContact CG2-CD1 4.39Å; V237-I284 HydrophobicContact CG2-CG1 4.48Å; V282-I284 HydrophobicContact CG1-CB 4.3Å
285	L	98.9	Very high	98.4	Very high	36 Å²	36	28.2 Å²	28.2	19%	0.188	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.1	174.9	-177.8	66.2	0	0	0	110.5	I179 P203 T236 L238	I179-L285 HydrophobicContact CG1-CD1 4.04Å; P203-L285 WeakPolarHBondContact CG-O 3.42Å; T236-L285 PolarHBondContact O-N 3.13Å; L238-L285 HydrophobicContact CD1-CB 4.22Å; L238-L285 HydrophobicContact CD2-CB 4.34Å; L238-L285 HydrophobicContact CG-CB 4.27Å
286	C	98.8	Very high	98.3	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.027	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-98.8	124.6	178.8	-59	0	0	0	0	110.3	G178 L195 Y200 I201	G178-C286 WeakPolarHBondContact O-CA 3.24Å; G178-C286 WeakPolarHBondContact O-CB 3.27Å; G178-C286 PolarHBondContact O-N 3.19Å; L195-C286 HydrophobicContact CD1-CB 4.05Å; L195-C286 WeakPolarHBondContact CD1-SG 3.1Å; L195-C286 HydrophobicContact CD2-CB 4.17Å; Y200-C286 HydrophobicContact CD1-CB 4.19Å; Y200-C286 VanDerWaalsContact CD1-O 3.28Å; Y200-C286 WeakPolarHBondContact CD1-O 3.29Å; I201-C286 VanDerWaalsContact O-CB 3.29Å; I201-C286 WeakPolarHBondContact O-CB 3.4Å
287	P	98.4	Very high	98.3	Very high	28 Å²	28	27.2 Å²	27.2	18%	0.182	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-64.8	154.8	171.8	-21	32.6	0	0	0	112.2	Y200 I201 P203 Y230	Y200-P287 CarbonylContact C-O 3.58Å; Y200-P287 WeakPolarHBondContact CA-O 3.49Å; Y200-P287 WeakPolarHBondContact CD1-O 3.34Å; I201-P287 HydrophobicContact CD1-CB 4.4Å; I201-P287 HydrophobicContact CG1-CB 4.05Å; I201-P287 HydrophobicContact CG1-CG 4.47Å; I201-P287 PolarHBondContact N-O 3.27Å; I201-P287 VanDerWaalsContact O-CD 3.32Å; I201-P287 WeakPolarHBondContact O-CD 3.23Å; P203-P287 HydrophobicContact CB-CG 4.14Å; Y230-P287 HydrophobicContact CD1-CB 3.91Å; Y230-P287 HydrophobicContact CD1-CG 3.36Å; Y230-P287 HydrophobicContact CD2-CG 4.49Å; Y230-P287 HydrophobicContact CE1-CB 3.55Å; Y230-P287 HydrophobicContact CE1-CG 3.54Å; Y230-P287 HydrophobicContact CG-CG 3.9Å
288	R	97.9	Very high	98.3	Very high	132 Å²	132	27.2 Å²	27.2	50%	0.498	13%	0.128	S	C	.	.	B	Isolated β-bridge	trans	-62.5	141.2	168.8	-71.1	-67.5	-64	178	5.6	109.9	D199 Y200	D199-R288 PolarHBondContact O-NE 3.25Å; D199-R288 IonicContact OD2-NH2 2.62Å; Y200-R288 VanDerWaalsContact CE1-CD 3.43Å; Y200-R288 HydrophobicContact CE1-CG 4.12Å; Y200-R288 WeakPolarHBondContact OH-CD 3.46Å
289	K	97.9	Very high	98.3	Very high	83 Å²	83	27 Å²	27	36%	0.361	13%	0.127	S	C	.	.	P	Polyproline II helix	trans	-61.2	125.7	171.1	-175	170.2	-179.7	165.4	0	108.6	E196 D199 I201	E196-K289 HydrophobicContact CG-CD 4.37Å; E196-K289 IonicContact OE2-NZ 3.64Å; E196-K289 PolarHBondContact OE2-NZ 2.8Å; D199-K289 VanDerWaalsContact C-CB 3.46Å; D199-K289 WeakPolarHBondContact O-CB 3.43Å; D199-K289 PolarHBondContact O-N 2.85Å; I201-K289 HydrophobicContact CG2-CB 4.1Å; I201-K289 HydrophobicContact CG2-CG 4.11Å
290	P	97.3	Very high	98.2	Very high	29 Å²	29	26.4 Å²	26.4	19%	0.188	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-64.6	146.6	178.3	26.8	-34.7	0	0	0	110.6	V293	P290-V293 HydrophobicContact CB-CG2 4.09Å; P290-V293 HydrophobicContact CG-CG2 3.54Å
291	K	96.8	Very high	98.2	Very high	185 Å²	185	31 Å²	31	80%	0.804	15%	0.145	S	C	*	.	S	Bend	trans	-83.9	-22.8	176.8	-68.2	-174.3	178.5	178.4	0	112.2	G358 S359	K291-G358 PolarHBondContact N-O 3.23Å; K291-S359 WeakPolarHBondContact CD-O 3.46Å
292	S	97	Very high	98.1	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.063	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.1	-177.9	160.2	0	0	0	0	108.2	N294 S357 G358 D364	S292-N294 PolarHBondContact OG-ND2 2.81Å; S292-S357 WeakPolarHBondContact O-CA 3.37Å; S292-G358 PolarHBondContact N-O 3.25Å; S292-G358 VanDerWaalsContact N-O 3.13Å; S292-G358 PolarHBondContact O-N 3.1Å; S292-D364 WeakPolarHBondContact CB-OD2 3.24Å; S292-D364 PolarHBondContact OG-OD2 3.31Å
293	V	97.5	Very high	98	Very high	39 Å²	39	35.1 Å²	35.1	24%	0.236	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.3	175.2	-179.6	0	0	0	0	108	P290 E355 T356 I393	P290-V293 HydrophobicContact CB-CG2 4.09Å; P290-V293 HydrophobicContact CG-CG2 3.54Å; V293-E355 HydrophobicContact CG1-CG 4.03Å; V293-T356 VanDerWaalsContact CA-O 3.27Å; V293-T356 WeakPolarHBondContact CA-O 3.24Å; V293-I393 HydrophobicContact CG1-CD1 4.28Å
294	N	98.1	Very high	98	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.5	176.6	-45.2	-88.3	0	0	0	109	S292 E355 T356 L368 T388	S292-N294 PolarHBondContact OG-ND2 2.81Å; N294-E355 CarbonylContact O-C 3.49Å; N294-E355 WeakPolarHBondContact O-CA 3.49Å; N294-T356 WeakPolarHBondContact CB-OG1 3.34Å; N294-T356 PolarHBondContact N-O 3.19Å; N294-T356 VanDerWaalsContact N-O 3.09Å; N294-T356 PolarHBondContact ND2-OG1 3.2Å; N294-T356 VanDerWaalsContact ND2-OG1 3.13Å; N294-T356 PolarHBondContact O-N 2.82Å; N294-L368 HydrophobicContact CB-CD2 3.9Å; N294-T388 HydrophobicContact CB-CG2 4.41Å; N294-T388 WeakPolarHBondContact OD1-CG2 3.08Å
295	V	98.1	Very high	97.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135	172.5	176.9	0	0	0	0	109.9	V353 I354 E355 V386 A387 I393 L396	V295-V353 HydrophobicContact CG1-CG1 3.82Å; V295-I354 CarbonylContact C-O 3.41Å; V295-I354 VanDerWaalsContact CA-O 3.31Å; V295-I354 WeakPolarHBondContact CA-O 3.44Å; V295-E355 HydrophobicContact CG2-CB 4.34Å; V295-E355 HydrophobicContact CG2-CG 4.01Å; V295-V386 CarbonylContact O-C 3.57Å; V295-V386 WeakPolarHBondContact O-CA 3.23Å; V295-A387 PolarHBondContact N-O 3.49Å; V295-A387 PolarHBondContact O-N 3.45Å; V295-I393 HydrophobicContact CB-CG1 4.19Å; V295-I393 HydrophobicContact CG2-CB 4.32Å; V295-I393 HydrophobicContact CG2-CG1 4.02Å; V295-I393 HydrophobicContact CG2-CG2 3.81Å; V295-L396 HydrophobicContact CB-CD1 4.38Å; V295-L396 HydrophobicContact CG1-CB 3.78Å; V295-L396 HydrophobicContact CG1-CD1 3.9Å
296	V	97.8	Very high	97.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.1	176.5	-174.7	0	0	0	0	109.3	L298 V353 I354 L368 L372 T385 V386	V296-L298 HydrophobicContact CG1-CD1 4.03Å; V296-L298 HydrophobicContact CG1-CD2 3.31Å; V296-L298 HydrophobicContact CG1-CG 3.54Å; V296-V353 WeakPolarHBondContact O-CA 3.46Å; V296-I354 HydrophobicContact CB-CB 4.34Å; V296-I354 PolarHBondContact N-O 3.23Å; V296-I354 PolarHBondContact O-N 3.37Å; V296-L368 HydrophobicContact CG2-CD1 3.68Å; V296-L368 HydrophobicContact CG2-CD2 3.73Å; V296-L368 HydrophobicContact CG2-CG 4.08Å; V296-L372 HydrophobicContact CG1-CD2 3.83Å; V296-T385 WeakPolarHBondContact CA-O 3.46Å; V296-T385 WeakPolarHBondContact CG1-O 3.47Å; V296-V386 HydrophobicContact CG1-CG2 4.22Å; V296-V386 HydrophobicContact CG2-CG1 4.23Å; V296-V386 HydrophobicContact CG2-CG2 4.01Å
297	F	98.5	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.4	173.1	-166.5	-86.6	0	0	0	109.3	L327 M332 P344 I345 Y351 I352 V353 G384 T385 L396 M399	F297-L327 HydrophobicContact CE2-CD2 4.21Å; F297-L327 HydrophobicContact CZ-CD2 4.41Å; F297-M332 HydrophobicContact CE1-CE 4.16Å; F297-M332 HydrophobicContact CZ-CE 3.56Å; F297-P344 HydrophobicContact CD1-CG 3.85Å; F297-P344 HydrophobicContact CE1-CG 4.09Å; F297-P344 HydrophobicContact CG-CG 4.24Å; F297-I345 HydrophobicContact CD1-CD1 3.84Å; F297-I345 HydrophobicContact CD1-CG1 3.97Å; F297-I345 HydrophobicContact CD1-CG2 4.45Å; F297-I345 HydrophobicContact CE1-CD1 3.94Å; F297-I345 HydrophobicContact CE1-CG1 3.94Å; F297-Y351 AromaticContact CE1-CD1 3.48Å; F297-Y351 HydrophobicContact CE1-CD1 3.48Å; F297-Y351 VanDerWaalsContact CE1-CD1 3.48Å; F297-Y351 HydrophobicContact CE1-CE1 4.29Å; F297-Y351 HydrophobicContact CE1-CG 4.01Å; F297-Y351 AromaticContact CZ-CD1 3.81Å; F297-Y351 HydrophobicContact CZ-CD1 3.81Å; F297-Y351 AromaticContact CZ-CG 3.85Å; F297-Y351 HydrophobicContact CZ-CG 3.85Å; F297-I352 CarbonylContact C-O 3.59Å; F297-I352 VanDerWaalsContact CA-O 3.32Å; F297-I352 WeakPolarHBondContact CA-O 3.17Å; F297-V353 HydrophobicContact CD2-CG2 3.71Å; F297-V353 HydrophobicContact CE2-CG2 3.8Å; F297-G384 CarbonylContact O-C 3.12Å; F297-G384 WeakPolarHBondContact O-CA 3.33Å; F297-T385 HydrophobicContact CB-CG2 3.9Å; F297-T385 PolarHBondContact N-O 2.94Å; F297-T385 PolarHBondContact O-N 2.93Å; F297-L396 HydrophobicContact CB-CD1 4.19Å; F297-L396 HydrophobicContact CB-CD2 3.95Å; F297-L396 HydrophobicContact CG-CD2 4.42Å; F297-M399 HydrophobicContact CE2-CB 3.88Å; F297-M399 HydrophobicContact CE2-CG 4.23Å
298	L	98.6	Very high	97.9	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.3	-172.5	-55.7	177.5	0	0	0	111.4	V296 T309 Y351 I352 I354 F371 L372 V381	V296-L298 HydrophobicContact CG1-CD1 4.03Å; V296-L298 HydrophobicContact CG1-CD2 3.31Å; V296-L298 HydrophobicContact CG1-CG 3.54Å; L298-T309 HydrophobicContact CD1-CG2 4.38Å; L298-Y351 CarbonylContact O-C 3.57Å; L298-Y351 VanDerWaalsContact O-CA 3.27Å; L298-Y351 WeakPolarHBondContact O-CA 3.49Å; L298-I352 HydrophobicContact CB-CB 4.35Å; L298-I352 PolarHBondContact N-O 3.4Å; L298-I352 PolarHBondContact O-N 2.72Å; L298-I354 HydrophobicContact CD1-CD1 3.86Å; L298-F371 HydrophobicContact CD1-CE1 4.05Å; L298-F371 HydrophobicContact CD1-CZ 4.19Å; L298-L372 HydrophobicContact CD1-CD2 4.33Å; L298-L372 HydrophobicContact CD2-CD2 3.83Å; L298-V381 HydrophobicContact CB-CG1 3.93Å; L298-V381 HydrophobicContact CB-CG2 4.27Å; L298-V381 HydrophobicContact CD1-CG2 4.05Å; L298-V381 HydrophobicContact CD2-CG1 4.08Å; L298-V381 HydrophobicContact CG-CG1 4.42Å
299	G	98.4	Very high	97.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.8	174	0	0	0	0	0	113.4	F350 V381 T382 D383	G299-F350 WeakPolarHBondContact CA-O 3.28Å; G299-V381 WeakPolarHBondContact O-CA 3.41Å; G299-V381 WeakPolarHBondContact O-CG1 3.3Å; G299-T382 PolarHBondContact O-N 3.25Å; G299-T382 PolarHBondContact O-OG1 3.26Å; G299-D383 PolarHBondContact N-O 2.88Å
300	C	98.4	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	148.1	175.5	-62.6	0	0	0	0	111.4	Q305 L306 P349 F350 I352 L380	C300-Q305 HydrophobicContact CB-CB 4.25Å; C300-L306 HydrophobicContact CB-CB 4.44Å; C300-P349 WeakPolarHBondContact O-CD 3.48Å; C300-F350 HydrophobicContact CB-CB 4.36Å; C300-F350 PolarHBondContact N-O 2.9Å; C300-F350 PolarHBondContact O-N 2.7Å; C300-F350 VanDerWaalsContact O-N 3.15Å; C300-I352 VanDerWaalsContact SG-CD1 3.58Å; C300-L380 PolarHBondContact SG-O 3.27Å
301	E	98.1	Very high	97.9	Very high	96 Å²	96	39.2 Å²	39.2	45%	0.449	19%	0.19	S	C	.	.	S	Bend	trans	-81.4	-29.7	178.8	-63.7	-65.9	165.9	0	0	112.6	P349 T382	E301-P349 WeakPolarHBondContact O-CG 3.38Å; E301-P349 WeakPolarHBondContact OE2-CD 3.48Å; E301-T382 HydrophobicContact CG-CG2 3.57Å; E301-T382 WeakPolarHBondContact OE1-CG2 3.39Å
302	T	97.8	Very high	98	Very high	62 Å²	62	32.1 Å²	32.1	38%	0.38	16%	0.161	S	C	.	.	S	Bend	trans	-134.6	156.5	-177.3	67.7	0	0	0	0	111.7	D304 Q305 L306	T302-D304 VanDerWaalsContact C-N 3.28Å; T302-D304 PolarHBondContact O-N 3.34Å; T302-Q305 PolarHBondContact O-N 2.79Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.36Å; T302-Q305 PolarHBondContact OG1-N 3.4Å; T302-Q305 PolarHBondContact OG1-OE1 2.94Å; T302-L306 PolarHBondContact O-N 3.24Å
303	F	96.9	Very high	98	Very high	26 Å²	26	31.7 Å²	31.7	11%	0.114	16%	0.158	C	C	.	.	H	α-helix	trans	-67.8	-30.2	175.7	-162.1	-99.8	0	0	0	112.5	L306 L307 F326 F350 I425 Y426	F303-L306 HydrophobicContact CD2-CD1 4.19Å; F303-L306 HydrophobicContact CD2-CD2 4.34Å; F303-L306 HydrophobicContact CE2-CD1 4.01Å; F303-L306 HydrophobicContact CE2-CD2 3.78Å; F303-L306 HydrophobicContact CE2-CG 4.43Å; F303-L306 HydrophobicContact CZ-CD2 3.9Å; F303-L306 WeakPolarHBondContact O-CB 3.45Å; F303-L306 PolarHBondContact O-N 2.87Å; F303-L307 HydrophobicContact CD1-CD1 3.96Å; F303-L307 HydrophobicContact CD1-CG 4.02Å; F303-L307 HydrophobicContact CE1-CD1 3.83Å; F303-L307 HydrophobicContact CE1-CD2 3.77Å; F303-L307 HydrophobicContact CE1-CG 3.72Å; F303-L307 HydrophobicContact CZ-CD2 4.19Å; F303-L307 HydrophobicContact CZ-CG 4.45Å; F303-L307 WeakPolarHBondContact O-CG 3.46Å; F303-L307 PolarHBondContact O-N 2.83Å; F303-F326 HydrophobicContact CE2-CD2 4.02Å; F303-F326 AromaticContact CE2-CE2 3.9Å; F303-F326 HydrophobicContact CE2-CE2 3.9Å; F303-F326 HydrophobicContact CE2-CG 4.49Å; F303-F326 HydrophobicContact CE2-CZ 4.25Å; F303-F350 HydrophobicContact CB-CE1 4.15Å; F303-F350 HydrophobicContact CB-CE2 4.14Å; F303-F350 HydrophobicContact CB-CZ 3.82Å; F303-F350 AromaticContact CD2-CD1 3.88Å; F303-F350 HydrophobicContact CD2-CD1 3.88Å; F303-F350 AromaticContact CD2-CE1 3.62Å; F303-F350 HydrophobicContact CD2-CE1 3.62Å; F303-F350 HydrophobicContact CD2-CZ 4.19Å; F303-F350 HydrophobicContact CG-CE1 4.33Å; F303-F350 HydrophobicContact CG-CZ 4.48Å; F303-I425 HydrophobicContact CE1-CG2 3.41Å; F303-I425 VanDerWaalsContact CE1-CG2 3.41Å; F303-I425 HydrophobicContact CE2-CG2 4.24Å; F303-I425 HydrophobicContact CZ-CG2 3.14Å; F303-Y426 HydrophobicContact CD2-CD1 4.34Å; F303-Y426 HydrophobicContact CD2-CD2 4.3Å; F303-Y426 AromaticContact CD2-CG 3.81Å; F303-Y426 HydrophobicContact CD2-CG 3.81Å; F303-Y426 HydrophobicContact CE2-CD2 4.37Å; F303-Y426 HydrophobicContact CE2-CG 4.15Å; F303-Y426 HydrophobicContact CG-CD1 4.45Å; F303-Y426 HydrophobicContact CG-CG 4.16Å
304	D	97.4	Very high	98.1	Very high	86 Å²	86	35 Å²	35	46%	0.46	17%	0.169	S	C	.	.	H	α-helix	trans	-63.6	-42	173.8	176.5	71	0	0	0	112	T302 L306 L307 K308	T302-D304 VanDerWaalsContact C-N 3.28Å; T302-D304 PolarHBondContact O-N 3.34Å; D304-L306 VanDerWaalsContact C-N 3.31Å; D304-L306 PolarHBondContact O-N 3.13Å; D304-L307 PolarHBondContact O-N 3.32Å; D304-K308 WeakPolarHBondContact O-CG 3.04Å; D304-K308 PolarHBondContact O-N 3.08Å; D304-K308 IonicContact OD1-NZ 3.96Å; D304-K308 WeakPolarHBondContact OD2-CE 3.24Å; D304-K308 IonicContact OD2-NZ 3.75Å; D304-K308 PolarHBondContact OD2-NZ 3.29Å
305	Q	98.3	Very high	98.1	Very high	39 Å²	39	37.9 Å²	37.9	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-60.1	-42.1	172	-78.9	170.7	-34.8	0	0	111.7	C300 T302 L307 K308 T309 L379 L380	C300-Q305 HydrophobicContact CB-CB 4.25Å; T302-Q305 PolarHBondContact O-N 2.79Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.36Å; T302-Q305 PolarHBondContact OG1-N 3.4Å; T302-Q305 PolarHBondContact OG1-OE1 2.94Å; Q305-L307 VanDerWaalsContact C-N 3.34Å; Q305-L307 PolarHBondContact O-N 3.22Å; Q305-K308 PolarHBondContact O-N 3.16Å; Q305-T309 WeakPolarHBondContact O-CB 3.23Å; Q305-T309 PolarHBondContact O-N 2.91Å; Q305-T309 PolarHBondContact O-OG1 3.46Å; Q305-L379 PolarHBondContact NE2-O 3.23Å; Q305-L380 HydrophobicContact CG-CD2 4.41Å
306	L	98.1	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-43.3	175.9	175.4	158.4	0	0	0	112.1	C300 T302 F303 D304 T309 F310 F324 F326 F350 I352 V449	C300-L306 HydrophobicContact CB-CB 4.44Å; T302-L306 PolarHBondContact O-N 3.24Å; F303-L306 HydrophobicContact CD2-CD1 4.19Å; F303-L306 HydrophobicContact CD2-CD2 4.34Å; F303-L306 HydrophobicContact CE2-CD1 4.01Å; F303-L306 HydrophobicContact CE2-CD2 3.78Å; F303-L306 HydrophobicContact CE2-CG 4.43Å; F303-L306 HydrophobicContact CZ-CD2 3.9Å; F303-L306 WeakPolarHBondContact O-CB 3.45Å; F303-L306 PolarHBondContact O-N 2.87Å; D304-L306 VanDerWaalsContact C-N 3.31Å; D304-L306 PolarHBondContact O-N 3.13Å; L306-T309 WeakPolarHBondContact O-CB 3.37Å; L306-T309 PolarHBondContact O-N 3.01Å; L306-F310 PolarHBondContact O-N 2.99Å; L306-F324 HydrophobicContact CD2-CE1 4.39Å; L306-F326 HydrophobicContact CD1-CB 3.66Å; L306-F326 HydrophobicContact CD1-CD2 4.23Å; L306-F326 HydrophobicContact CD1-CG 4.17Å; L306-F350 HydrophobicContact CD1-CB 4.14Å; L306-I352 HydrophobicContact CB-CD1 4.21Å; L306-I352 HydrophobicContact CD1-CD1 4.3Å; L306-I352 HydrophobicContact CD1-CG1 3.82Å; L306-I352 HydrophobicContact CG-CD1 3.82Å; L306-I352 HydrophobicContact CG-CG1 3.86Å; L306-V449 HydrophobicContact CD2-CG1 4.19Å; L306-V449 HydrophobicContact CD2-CG2 3.99Å
307	L	97.8	Very high	98.1	Very high	29 Å²	29	40.8 Å²	40.8	15%	0.152	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-39	176.5	-67.4	177.4	0	0	0	112.6	F303 D304 Q305 F310 Q311 V422 V449	F303-L307 HydrophobicContact CD1-CD1 3.96Å; F303-L307 HydrophobicContact CD1-CG 4.02Å; F303-L307 HydrophobicContact CE1-CD1 3.83Å; F303-L307 HydrophobicContact CE1-CD2 3.77Å; F303-L307 HydrophobicContact CE1-CG 3.72Å; F303-L307 HydrophobicContact CZ-CD2 4.19Å; F303-L307 HydrophobicContact CZ-CG 4.45Å; F303-L307 WeakPolarHBondContact O-CG 3.46Å; F303-L307 PolarHBondContact O-N 2.83Å; D304-L307 PolarHBondContact O-N 3.32Å; Q305-L307 VanDerWaalsContact C-N 3.34Å; Q305-L307 PolarHBondContact O-N 3.22Å; L307-F310 WeakPolarHBondContact O-CB 3.13Å; L307-F310 PolarHBondContact O-N 2.92Å; L307-Q311 PolarHBondContact O-N 3.35Å; L307-V422 HydrophobicContact CD2-CG2 3.78Å; L307-V449 HydrophobicContact CD2-CG1 4.13Å
308	K	98.3	Very high	98.1	Very high	94 Å²	94	42.3 Å²	42.3	41%	0.409	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-39.5	173.3	-73.8	169.7	177.7	165	0	111.7	D304 Q305 F310 Q311 L312 L380	D304-K308 WeakPolarHBondContact O-CG 3.04Å; D304-K308 PolarHBondContact O-N 3.08Å; D304-K308 IonicContact OD1-NZ 3.96Å; D304-K308 WeakPolarHBondContact OD2-CE 3.24Å; D304-K308 IonicContact OD2-NZ 3.75Å; D304-K308 PolarHBondContact OD2-NZ 3.29Å; Q305-K308 PolarHBondContact O-N 3.16Å; K308-F310 VanDerWaalsContact C-N 3.31Å; K308-F310 PolarHBondContact O-N 3.18Å; K308-Q311 PolarHBondContact O-N 3.18Å; K308-L312 WeakPolarHBondContact O-CB 3.4Å; K308-L312 PolarHBondContact O-N 3.34Å; K308-L380 HydrophobicContact CB-CD1 4.11Å; K308-L380 HydrophobicContact CB-CD2 3.68Å; K308-L380 HydrophobicContact CD-CD2 4Å; K308-L380 HydrophobicContact CG-CD2 4.49Å
309	T	98.4	Very high	98	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-40.4	171.8	-59.5	0	0	0	0	110.9	L298 Q305 L306 L312 C313 F324 I352 F371 V381	L298-T309 HydrophobicContact CD1-CG2 4.38Å; Q305-T309 WeakPolarHBondContact O-CB 3.23Å; Q305-T309 PolarHBondContact O-N 2.91Å; Q305-T309 PolarHBondContact O-OG1 3.46Å; L306-T309 WeakPolarHBondContact O-CB 3.37Å; L306-T309 PolarHBondContact O-N 3.01Å; T309-L312 PolarHBondContact O-N 3.38Å; T309-C313 WeakPolarHBondContact O-CB 3.49Å; T309-C313 PolarHBondContact O-N 3.4Å; T309-F324 HydrophobicContact CG2-CZ 4.43Å; T309-I352 HydrophobicContact CG2-CD1 3.83Å; T309-F371 HydrophobicContact CG2-CE2 4.35Å; T309-F371 HydrophobicContact CG2-CZ 3.94Å; T309-V381 HydrophobicContact CG2-CG2 4.17Å
310	F	98	Very high	98	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.053	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-44.4	173.6	175.9	-126.5	0	0	0	112.4	L306 L307 K308 C313 K314 F324 V449	L306-F310 PolarHBondContact O-N 2.99Å; L307-F310 WeakPolarHBondContact O-CB 3.13Å; L307-F310 PolarHBondContact O-N 2.92Å; K308-F310 VanDerWaalsContact C-N 3.31Å; K308-F310 PolarHBondContact O-N 3.18Å; F310-C313 PolarHBondContact O-N 3.22Å; F310-K314 HydrophobicContact CD2-CG 4.31Å; F310-K314 HydrophobicContact CE1-CD 4.07Å; F310-K314 HydrophobicContact CE2-CD 3.81Å; F310-K314 HydrophobicContact CE2-CG 3.83Å; F310-K314 HydrophobicContact CZ-CD 3.53Å; F310-K314 HydrophobicContact CZ-CG 4.1Å; F310-K314 PolarHBondContact O-N 3.35Å; F310-F324 VanDerWaalsContact CA-CZ 3.5Å; F310-F324 HydrophobicContact CB-CD1 4.39Å; F310-F324 HydrophobicContact CB-CD2 4.48Å; F310-F324 HydrophobicContact CB-CE1 3.8Å; F310-F324 HydrophobicContact CB-CE2 3.91Å; F310-F324 HydrophobicContact CB-CZ 3.51Å; F310-F324 HydrophobicContact CD2-CB 4.16Å; F310-F324 AromaticContact CD2-CD1 3.95Å; F310-F324 HydrophobicContact CD2-CD1 3.95Å; F310-F324 AromaticContact CD2-CD2 3.68Å; F310-F324 HydrophobicContact CD2-CD2 3.68Å; F310-F324 HydrophobicContact CD2-CE1 4.2Å; F310-F324 AromaticContact CD2-CE2 3.96Å; F310-F324 HydrophobicContact CD2-CE2 3.96Å; F310-F324 AromaticContact CD2-CG 3.65Å; F310-F324 HydrophobicContact CD2-CG 3.65Å; F310-F324 HydrophobicContact CD2-CZ 4.2Å; F310-F324 HydrophobicContact CE2-CB 4.26Å; F310-F324 HydrophobicContact CE2-CD2 4.49Å; F310-F324 HydrophobicContact CE2-CG 4.26Å; F310-F324 HydrophobicContact CG-CD1 4.43Å; F310-F324 HydrophobicContact CG-CE1 4.31Å; F310-F324 HydrophobicContact CG-CE2 4.44Å; F310-F324 HydrophobicContact CG-CZ 4.3Å; F310-V449 HydrophobicContact CB-CG1 4.34Å; F310-V449 HydrophobicContact CD1-CG1 3.98Å; F310-V449 HydrophobicContact CE1-CG1 4.47Å; F310-V449 HydrophobicContact CG-CG1 4.08Å
311	Q	97.9	Very high	98	Very high	138 Å²	138	49 Å²	49	65%	0.645	26%	0.262	S	S	*	.	H	α-helix	trans	-60.7	-46.1	175.7	-176.4	179.3	6.3	0	0	111.7	L307 K308 K314 G315	L307-Q311 PolarHBondContact O-N 3.35Å; K308-Q311 PolarHBondContact O-N 3.18Å; Q311-K314 PolarHBondContact O-N 2.92Å; Q311-G315 PolarHBondContact O-N 3.42Å; Q311-G315 VanDerWaalsContact O-N 3.13Å
312	L	98.4	Very high	98	Very high	36 Å²	36	44.4 Å²	44.4	19%	0.188	24%	0.24	C	C	.	.	H	α-helix	trans	-61.9	-45.6	177.5	-173.9	67.8	0	0	0	111.3	K308 T309 K314 G315 M316 F371 E374 A375 L380	K308-L312 WeakPolarHBondContact O-CB 3.4Å; K308-L312 PolarHBondContact O-N 3.34Å; T309-L312 PolarHBondContact O-N 3.38Å; L312-K314 VanDerWaalsContact C-N 3.35Å; L312-K314 PolarHBondContact O-N 2.99Å; L312-G315 PolarHBondContact O-N 3.07Å; L312-M316 HydrophobicContact CD1-CG 4.05Å; L312-M316 HydrophobicContact CD1-SD 3.49Å; L312-M316 WeakPolarHBondContact CD1-SD 3.33Å; L312-M316 HydrophobicContact CD2-SD 4.26Å; L312-M316 HydrophobicContact CG-CG 4.35Å; L312-M316 HydrophobicContact CG-SD 3.73Å; L312-M316 WeakPolarHBondContact O-CG 3.5Å; L312-M316 PolarHBondContact O-N 3.14Å; L312-F371 HydrophobicContact CB-CE2 4.36Å; L312-F371 HydrophobicContact CD2-CD2 4.14Å; L312-F371 HydrophobicContact CD2-CE2 4.12Å; L312-F371 HydrophobicContact CG-CD2 4.08Å; L312-F371 HydrophobicContact CG-CE2 4.18Å; L312-E374 HydrophobicContact CD1-CG 3.91Å; L312-E374 HydrophobicContact CD2-CB 4.2Å; L312-E374 HydrophobicContact CD2-CG 3.84Å; L312-E374 HydrophobicContact CG-CG 4.47Å; L312-A375 HydrophobicContact CD2-CB 4Å; L312-L380 HydrophobicContact CD2-CD1 4.09Å
313	C	97.9	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56	-47.3	177.5	179.3	0	0	0	0	111.5	T309 F310 G315 M316 L317 L321 F324 F371	T309-C313 WeakPolarHBondContact O-CB 3.49Å; T309-C313 PolarHBondContact O-N 3.4Å; F310-C313 PolarHBondContact O-N 3.22Å; C313-G315 VanDerWaalsContact C-N 3.32Å; C313-G315 PolarHBondContact O-N 3.33Å; C313-M316 PolarHBondContact O-N 3.1Å; C313-L317 VanDerWaalsContact O-CB 3.3Å; C313-L317 WeakPolarHBondContact O-CB 3.36Å; C313-L317 PolarHBondContact O-N 2.75Å; C313-L317 VanDerWaalsContact SG-CD1 3.52Å; C313-L321 VanDerWaalsContact SG-CD1 3.56Å; C313-F324 HydrophobicContact CB-CD2 4.24Å; C313-F324 HydrophobicContact CB-CE2 3.95Å; C313-F371 HydrophobicContact CB-CD2 4.4Å; C313-F371 HydrophobicContact CB-CE2 3.71Å; C313-F371 HydrophobicContact CB-CZ 4.02Å
314	K	97.9	Very high	98	Very high	109 Å²	109	40.3 Å²	40.3	47%	0.474	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-38.9	174.8	-73.5	-170.7	-65.6	-175.8	0	113.1	F310 Q311 L312 G318 L321	F310-K314 HydrophobicContact CD2-CG 4.31Å; F310-K314 HydrophobicContact CE1-CD 4.07Å; F310-K314 HydrophobicContact CE2-CD 3.81Å; F310-K314 HydrophobicContact CE2-CG 3.83Å; F310-K314 HydrophobicContact CZ-CD 3.53Å; F310-K314 HydrophobicContact CZ-CG 4.1Å; F310-K314 PolarHBondContact O-N 3.35Å; Q311-K314 PolarHBondContact O-N 2.92Å; L312-K314 VanDerWaalsContact C-N 3.35Å; L312-K314 PolarHBondContact O-N 2.99Å; K314-G318 WeakPolarHBondContact O-CA 3.37Å; K314-G318 PolarHBondContact O-N 2.78Å; K314-L321 HydrophobicContact CG-CD2 4.21Å
315	G	98.3	Very high	98	Very high	67 Å²	67	36.4 Å²	36.4	69%	0.691	20%	0.196	S	C	*	.	H	α-helix	trans	-71.3	-37	-179.8	0	0	0	0	0	113.9	Q311 L312 C313	Q311-G315 PolarHBondContact O-N 3.42Å; Q311-G315 VanDerWaalsContact O-N 3.13Å; L312-G315 PolarHBondContact O-N 3.07Å; C313-G315 VanDerWaalsContact C-N 3.32Å; C313-G315 PolarHBondContact O-N 3.33Å
316	M	98.6	Very high	97.9	Very high	61 Å²	61	34.5 Å²	34.5	30%	0.3	19%	0.187	S	C	.	.	H	α-helix	trans	-99.5	-38.1	-171.7	-62.5	-174.4	78.6	0	0	113.9	L312 C313 N370 F371 E374	L312-M316 HydrophobicContact CD1-CG 4.05Å; L312-M316 HydrophobicContact CD1-SD 3.49Å; L312-M316 WeakPolarHBondContact CD1-SD 3.33Å; L312-M316 HydrophobicContact CD2-SD 4.26Å; L312-M316 HydrophobicContact CG-CG 4.35Å; L312-M316 HydrophobicContact CG-SD 3.73Å; L312-M316 WeakPolarHBondContact O-CG 3.5Å; L312-M316 PolarHBondContact O-N 3.14Å; C313-M316 PolarHBondContact O-N 3.1Å; M316-N370 VanDerWaalsContact CE-C 3.5Å; M316-N370 HydrophobicContact CE-CB 3.92Å; M316-N370 WeakPolarHBondContact CE-O 3.36Å; M316-F371 HydrophobicContact CB-CB 4.17Å; M316-F371 HydrophobicContact SD-CB 4.34Å; M316-F371 HydrophobicContact SD-CD2 4.43Å; M316-E374 HydrophobicContact CE-CB 4.08Å; M316-E374 HydrophobicContact SD-CB 3.94Å; M316-E374 HydrophobicContact SD-CG 4.16Å
317	L	98.4	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-38.7	177.4	-53.2	-172	0	0	0	110.5	C313 E319 I320 I354 T356 K367 L368 F371	C313-L317 VanDerWaalsContact O-CB 3.3Å; C313-L317 WeakPolarHBondContact O-CB 3.36Å; C313-L317 PolarHBondContact O-N 2.75Å; C313-L317 VanDerWaalsContact SG-CD1 3.52Å; L317-E319 PolarHBondContact O-N 2.94Å; L317-I320 HydrophobicContact CB-CG1 4.15Å; L317-I320 WeakPolarHBondContact O-CG1 3.34Å; L317-I320 PolarHBondContact O-N 3.33Å; L317-I354 HydrophobicContact CD1-CG2 4.15Å; L317-T356 HydrophobicContact CD1-CG2 3.75Å; L317-K367 HydrophobicContact CD2-CB 4.04Å; L317-K367 PolarHBondContact O-NZ 2.81Å; L317-L368 HydrophobicContact CD1-CD1 4.12Å; L317-L368 HydrophobicContact CD2-CD1 4.23Å; L317-F371 HydrophobicContact CD1-CD1 4.22Å; L317-F371 HydrophobicContact CD1-CG 4.39Å; L317-F371 HydrophobicContact CD2-CB 3.65Å; L317-F371 HydrophobicContact CD2-CD1 4.38Å; L317-F371 HydrophobicContact CD2-CG 4.07Å; L317-F371 HydrophobicContact CG-CB 4.27Å; L317-F371 HydrophobicContact CG-CG 4.21Å
318	G	97.6	Very high	98	Very high	32 Å²	32	33.1 Å²	33.1	33%	0.33	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	58.7	-121.3	174.3	0	0	0	0	0	112.3	K314 I320 L321	K314-G318 WeakPolarHBondContact O-CA 3.37Å; K314-G318 PolarHBondContact O-N 2.78Å; G318-I320 PolarHBondContact O-N 3.45Å; G318-L321 WeakPolarHBondContact O-CB 3.41Å; G318-L321 PolarHBondContact O-N 3.21Å
319	E	97.6	Very high	97.9	Very high	125 Å²	125	31.2 Å²	31.2	58%	0.584	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-69	-15.6	-170.9	81.3	-68.4	172.6	0	0	114.7	R229 L317 K367	R229-E319 PolarHBondContact NE-O 3.17Å; R229-E319 PolarHBondContact NH1-O 3.48Å; R229-E319 PolarHBondContact NH2-O 3.3Å; R229-E319 VanDerWaalsContact NH2-O 3.12Å; L317-E319 PolarHBondContact O-N 2.94Å; E319-K367 IonicContact OE1-NZ 2.8Å; E319-K367 PolarHBondContact OE1-NZ 3.09Å; E319-K367 IonicContact OE2-NZ 3.94Å; E319-K367 PolarHBondContact OE2-NZ 2.95Å
320	I	98.3	Very high	97.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-86.4	-13.4	178.5	68.9	165.5	0	0	0	112.4	R229 L317 G318 S322 T356 S357 D364 K367	R229-I320 PolarHBondContact NH1-O 3.13Å; L317-I320 HydrophobicContact CB-CG1 4.15Å; L317-I320 WeakPolarHBondContact O-CG1 3.34Å; L317-I320 PolarHBondContact O-N 3.33Å; G318-I320 PolarHBondContact O-N 3.45Å; I320-S322 PolarHBondContact O-N 2.88Å; I320-T356 HydrophobicContact CD1-CG2 3.91Å; I320-T356 HydrophobicContact CG1-CG2 3.98Å; I320-T356 CarbonylContact O-C 3.44Å; I320-T356 WeakPolarHBondContact O-CA 3.28Å; I320-T356 WeakPolarHBondContact O-CB 3.44Å; I320-S357 PolarHBondContact O-N 2.96Å; I320-D364 HydrophobicContact CD1-CB 3.99Å; I320-D364 WeakPolarHBondContact CG2-OD1 3.32Å; I320-K367 HydrophobicContact CD1-CB 4.13Å; I320-K367 HydrophobicContact CD1-CD 3.89Å; I320-K367 HydrophobicContact CG1-CD 4.23Å
321	L	98.3	Very high	97.9	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.063	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	128.1	176.7	-176.1	59.2	0	0	0	110.1	L228 R229 C313 K314 G318 A323 I354	L228-L321 HydrophobicContact CD2-CD2 3.89Å; L228-L321 HydrophobicContact CD2-CG 3.99Å; R229-L321 WeakPolarHBondContact CD-O 3.21Å; R229-L321 PolarHBondContact NH1-O 2.88Å; C313-L321 VanDerWaalsContact SG-CD1 3.56Å; K314-L321 HydrophobicContact CG-CD2 4.21Å; G318-L321 WeakPolarHBondContact O-CB 3.41Å; G318-L321 PolarHBondContact O-N 3.21Å; L321-A323 WeakPolarHBondContact CD1-O 3.07Å; L321-I354 HydrophobicContact CD1-CG2 3.67Å
322	S	96.9	Very high	98	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-26.5	178.5	57.3	0	0	0	0	114.8	I320 E355 S357	I320-S322 PolarHBondContact O-N 2.88Å; S322-E355 PolarHBondContact N-O 2.95Å; S322-E355 VanDerWaalsContact OG-C 3.3Å; S322-E355 WeakPolarHBondContact OG-CB 3.35Å; S322-E355 WeakPolarHBondContact OG-CG 3.43Å; S322-E355 PolarHBondContact OG-O 3.24Å; S322-E355 PolarHBondContact OG-OE1 3.1Å; S322-S357 PolarHBondContact OG-OG 3.35Å; S322-S357 VanDerWaalsContact OG-OG 3.1Å
323	A	97	Very high	97.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	149.8	172.6	0	0	0	0	0	111.6	L225 L321 I354 E355 W397	L225-A323 WeakPolarHBondContact O-CB 3.2Å; L321-A323 WeakPolarHBondContact CD1-O 3.07Å; A323-I354 WeakPolarHBondContact O-CA 3.39Å; A323-E355 HydrophobicContact CB-CB 3.81Å; A323-E355 PolarHBondContact N-O 2.83Å; A323-E355 PolarHBondContact O-N 3.08Å; A323-W397 HydrophobicContact CB-CH2 3.59Å; A323-W397 HydrophobicContact CB-CZ2 3.78Å
324	F	97.8	Very high	97.9	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	97.2	169	-165	-70.3	0	0	0	109.1	L228 L306 T309 F310 C313 I352 I354 V449	L228-F324 HydrophobicContact CD2-CB 4.06Å; L306-F324 HydrophobicContact CD2-CE1 4.39Å; T309-F324 HydrophobicContact CG2-CZ 4.43Å; F310-F324 VanDerWaalsContact CA-CZ 3.5Å; F310-F324 HydrophobicContact CB-CD1 4.39Å; F310-F324 HydrophobicContact CB-CD2 4.48Å; F310-F324 HydrophobicContact CB-CE1 3.8Å; F310-F324 HydrophobicContact CB-CE2 3.91Å; F310-F324 HydrophobicContact CB-CZ 3.51Å; F310-F324 HydrophobicContact CD2-CB 4.16Å; F310-F324 AromaticContact CD2-CD1 3.95Å; F310-F324 HydrophobicContact CD2-CD1 3.95Å; F310-F324 AromaticContact CD2-CD2 3.68Å; F310-F324 HydrophobicContact CD2-CD2 3.68Å; F310-F324 HydrophobicContact CD2-CE1 4.2Å; F310-F324 AromaticContact CD2-CE2 3.96Å; F310-F324 HydrophobicContact CD2-CE2 3.96Å; F310-F324 AromaticContact CD2-CG 3.65Å; F310-F324 HydrophobicContact CD2-CG 3.65Å; F310-F324 HydrophobicContact CD2-CZ 4.2Å; F310-F324 HydrophobicContact CE2-CB 4.26Å; F310-F324 HydrophobicContact CE2-CD2 4.49Å; F310-F324 HydrophobicContact CE2-CG 4.26Å; F310-F324 HydrophobicContact CG-CD1 4.43Å; F310-F324 HydrophobicContact CG-CE1 4.31Å; F310-F324 HydrophobicContact CG-CE2 4.44Å; F310-F324 HydrophobicContact CG-CZ 4.3Å; C313-F324 HydrophobicContact CB-CD2 4.24Å; C313-F324 HydrophobicContact CB-CE2 3.95Å; F324-I352 HydrophobicContact CD1-CG2 4.02Å; F324-I352 HydrophobicContact CD2-CG2 4.33Å; F324-I352 HydrophobicContact CE1-CD1 4.44Å; F324-I352 HydrophobicContact CE1-CG1 4.48Å; F324-I352 HydrophobicContact CE1-CG2 3.53Å; F324-I352 HydrophobicContact CE2-CG2 3.86Å; F324-I352 HydrophobicContact CG-CG2 4.43Å; F324-I352 HydrophobicContact CZ-CD1 3.97Å; F324-I352 HydrophobicContact CZ-CG1 4.42Å; F324-I352 HydrophobicContact CZ-CG2 3.45Å; F324-I352 VanDerWaalsContact CZ-CG2 3.45Å; F324-I354 HydrophobicContact CD2-CD1 4.01Å; F324-I354 HydrophobicContact CD2-CG1 3.8Å; F324-I354 HydrophobicContact CE2-CD1 3.68Å; F324-I354 HydrophobicContact CE2-CG1 3.88Å; F324-V449 HydrophobicContact CD1-CB 3.66Å; F324-V449 HydrophobicContact CD1-CG1 4.28Å; F324-V449 HydrophobicContact CD1-CG2 3.76Å; F324-V449 HydrophobicContact CE1-CB 4.04Å; F324-V449 HydrophobicContact CE1-CG1 4.27Å; F324-V449 HydrophobicContact CE1-CG2 3.9Å; F324-V449 PolarHBondContact O-N 3.38Å
325	E	97.4	Very high	97.9	Very high	4 Å²	4	24 Å²	24	2%	0.019	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	156.3	-177.1	-58.7	-65.4	127.7	0	0	110.7	I352 V353 W397 R400 G447 H448	E325-I352 CarbonylContact O-C 3Å; E325-I352 VanDerWaalsContact O-CA 3.3Å; E325-I352 WeakPolarHBondContact O-CA 3.27Å; E325-I352 WeakPolarHBondContact O-CG2 3.5Å; E325-V353 HydrophobicContact CB-CB 4.21Å; E325-V353 PolarHBondContact N-O 2.98Å; E325-V353 PolarHBondContact O-N 2.77Å; E325-W397 HydrophobicContact CG-CH2 3.98Å; E325-W397 HydrophobicContact CG-CZ3 3.88Å; E325-R400 HydrophobicContact CB-CG 3.94Å; E325-R400 HydrophobicContact CG-CG 4.06Å; E325-R400 IonicContact OE2-CZ 3.69Å; E325-R400 VanDerWaalsContact OE2-CZ 3.25Å; E325-R400 IonicContact OE2-NE 3.69Å; E325-R400 PolarHBondContact OE2-NE 3.44Å; E325-R400 IonicContact OE2-NH2 3.91Å; E325-R400 PolarHBondContact OE2-NH2 2.85Å; E325-G447 CarbonylContact C-O 3.55Å; E325-G447 VanDerWaalsContact CA-O 3.3Å; E325-G447 WeakPolarHBondContact CA-O 3.33Å; E325-H448 IonicContact OE1-CE1 2.72Å; E325-H448 IonicContact OE1-CG 2.67Å; E325-H448 IonicContact OE1-ND1 3.95Å; E325-H448 PolarHBondContact OE1-ND1 2.96Å; E325-H448 IonicContact OE2-CE1 3.88Å; E325-H448 PolarHBondContact OE2-CE1 3.28Å; E325-H448 VanDerWaalsContact OE2-CE1 3.31Å; E325-H448 IonicContact OE2-CG 2.68Å; E325-H448 IonicContact OE2-ND1 2.84Å; E325-H448 PolarHBondContact OE2-ND1 3.38Å
326	F	97.8	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	160.3	169.6	86.2	-74.1	0	0	0	112.9	F303 L306 Y351 Y426 Y446 G447 V449 L454	F303-F326 HydrophobicContact CE2-CD2 4.02Å; F303-F326 AromaticContact CE2-CE2 3.9Å; F303-F326 HydrophobicContact CE2-CE2 3.9Å; F303-F326 HydrophobicContact CE2-CG 4.49Å; F303-F326 HydrophobicContact CE2-CZ 4.25Å; L306-F326 HydrophobicContact CD1-CB 3.66Å; L306-F326 HydrophobicContact CD1-CD2 4.23Å; L306-F326 HydrophobicContact CD1-CG 4.17Å; F326-Y351 WeakPolarHBondContact CA-O 3.32Å; F326-Y351 WeakPolarHBondContact CB-O 3.49Å; F326-Y426 AromaticContact CE2-CD2 3.71Å; F326-Y426 HydrophobicContact CE2-CD2 3.71Å; F326-Y426 HydrophobicContact CE2-CE2 4.11Å; F326-Y426 HydrophobicContact CZ-CD2 4.17Å; F326-Y446 CarbonylContact O-C 3.59Å; F326-Y446 VanDerWaalsContact O-CA 3.22Å; F326-Y446 WeakPolarHBondContact O-CA 3.32Å; F326-Y446 WeakPolarHBondContact O-CB 3.07Å; F326-G447 WeakPolarHBondContact CD1-O 3.45Å; F326-G447 PolarHBondContact N-O 3.31Å; F326-G447 PolarHBondContact O-N 2.61Å; F326-V449 HydrophobicContact CB-CG2 3.91Å; F326-V449 HydrophobicContact CD1-CG2 3.45Å; F326-V449 VanDerWaalsContact CD1-CG2 3.45Å; F326-V449 HydrophobicContact CE1-CG2 4.32Å; F326-V449 HydrophobicContact CG-CG2 3.97Å; F326-L454 HydrophobicContact CE1-CD1 4.31Å; F326-L454 HydrophobicContact CZ-CD1 3.69Å
327	L	97.9	Very high	97.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	149	168	64.1	162.2	0	0	0	110	F297 C331 M332 L335 Y351 V353 V403	F297-L327 HydrophobicContact CE2-CD2 4.21Å; F297-L327 HydrophobicContact CZ-CD2 4.41Å; L327-C331 HydrophobicContact CB-CB 3.9Å; L327-C331 HydrophobicContact CD1-CB 4.04Å; L327-C331 HydrophobicContact CG-CB 4.47Å; L327-M332 HydrophobicContact CD1-CE 4.28Å; L327-L335 HydrophobicContact CD1-CD1 3.91Å; L327-Y351 HydrophobicContact CG-CD2 4.31Å; L327-Y351 PolarHBondContact N-O 2.86Å; L327-Y351 PolarHBondContact O-N 3.09Å; L327-V353 HydrophobicContact CD2-CG2 4.32Å; L327-V403 HydrophobicContact CD1-CG2 4.28Å
328	D	98.6	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	171.7	176.7	69.3	17.1	0	0	0	113.4	E330 C331 M332 Y426 R433 G445	D328-E330 PolarHBondContact O-N 2.83Å; D328-E330 PolarHBondContact OD1-N 3.16Å; D328-C331 WeakPolarHBondContact O-CB 3.19Å; D328-C331 PolarHBondContact O-N 2.86Å; D328-C331 PolarHBondContact OD1-N 3.37Å; D328-C331 PolarHBondContact OD1-SG 3.39Å; D328-M332 PolarHBondContact O-N 2.78Å; D328-Y426 HydrophobicContact CB-CE2 3.87Å; D328-Y426 WeakPolarHBondContact CB-OH 3.15Å; D328-Y426 PolarHBondContact OD2-OH 3.1Å; D328-Y426 VanDerWaalsContact OD2-OH 3.09Å; D328-R433 IonicContact OD2-CZ 2.83Å; D328-R433 IonicContact OD2-NH1 3.3Å; D328-R433 IonicContact OD2-NH2 3.57Å; D328-R433 PolarHBondContact OD2-NH2 3.09Å; D328-G445 PolarHBondContact N-O 2.73Å; D328-G445 PolarHBondContact OD2-N 2.91Å
329	S	97.9	Very high	97.7	Very high	53 Å²	53	26.7 Å²	26.7	37%	0.371	14%	0.135	S	C	.	.	H	α-helix	trans	-59.9	-30.4	178	58.1	0	0	0	0	114.2	M332 R333 C348 P349	S329-M332 PolarHBondContact O-N 2.94Å; S329-R333 PolarHBondContact O-N 3.05Å; S329-C348 WeakPolarHBondContact CB-O 3.48Å; S329-P349 PolarHBondContact N-O 2.92Å
330	E	98.1	Very high	97.7	Very high	42 Å²	42	28.4 Å²	28.4	20%	0.196	14%	0.14	C	C	.	.	H	α-helix	trans	-72.1	-36.5	177.8	-174.5	66.5	-179.2	0	0	110.8	D328 R333 L334 S442 V444	D328-E330 PolarHBondContact O-N 2.83Å; D328-E330 PolarHBondContact OD1-N 3.16Å; E330-R333 VanDerWaalsContact CD-NE 3.32Å; E330-R333 PolarHBondContact O-N 3.28Å; E330-R333 IonicContact OE1-CZ 3.31Å; E330-R333 IonicContact OE1-NE 2.71Å; E330-R333 PolarHBondContact OE1-NE 3.1Å; E330-R333 IonicContact OE1-NH2 2.82Å; E330-R333 PolarHBondContact OE1-NH2 3.38Å; E330-R333 IonicContact OE2-CZ 3.64Å; E330-R333 IonicContact OE2-NE 2.98Å; E330-R333 PolarHBondContact OE2-NE 2.96Å; E330-R333 IonicContact OE2-NH2 3.44Å; E330-L334 VanDerWaalsContact O-CG 3.31Å; E330-L334 WeakPolarHBondContact O-CG 3.28Å; E330-L334 PolarHBondContact O-N 3.5Å; E330-S442 WeakPolarHBondContact OE1-CB 3.47Å; E330-S442 PolarHBondContact OE1-OG 3.45Å; E330-V444 HydrophobicContact CB-CG1 3.85Å; E330-V444 HydrophobicContact CG-CG1 3.45Å; E330-V444 VanDerWaalsContact CG-CG1 3.45Å
331	C	98.4	Very high	97.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-57.6	-48.9	168.2	-64.3	0	0	0	0	111.2	L327 D328 R333 L334 L335 V403	L327-C331 HydrophobicContact CB-CB 3.9Å; L327-C331 HydrophobicContact CD1-CB 4.04Å; L327-C331 HydrophobicContact CG-CB 4.47Å; D328-C331 WeakPolarHBondContact O-CB 3.19Å; D328-C331 PolarHBondContact O-N 2.86Å; D328-C331 PolarHBondContact OD1-N 3.37Å; D328-C331 PolarHBondContact OD1-SG 3.39Å; C331-R333 VanDerWaalsContact C-N 3.32Å; C331-R333 PolarHBondContact O-N 2.9Å; C331-L334 PolarHBondContact O-N 2.76Å; C331-L334 VanDerWaalsContact O-N 3.14Å; C331-L335 WeakPolarHBondContact O-CG 3.16Å; C331-L335 PolarHBondContact O-N 2.89Å; C331-V403 HydrophobicContact CB-CG1 4.17Å; C331-V403 HydrophobicContact CB-CG2 4.32Å
332	M	98.1	Very high	97.2	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-60	-41.6	178.9	-173.1	57.7	72.7	0	0	112.1	F297 L327 D328 S329 L334 L335 N336 N343 Y351	F297-M332 HydrophobicContact CE1-CE 4.16Å; F297-M332 HydrophobicContact CZ-CE 3.56Å; L327-M332 HydrophobicContact CD1-CE 4.28Å; D328-M332 PolarHBondContact O-N 2.78Å; S329-M332 PolarHBondContact O-N 2.94Å; M332-L334 VanDerWaalsContact C-N 3.33Å; M332-L334 PolarHBondContact O-N 3.39Å; M332-L335 PolarHBondContact O-N 3.48Å; M332-L335 HydrophobicContact SD-CD1 4.44Å; M332-N336 PolarHBondContact O-N 2.84Å; M332-N343 HydrophobicContact CE-CB 4.46Å; M332-N343 HydrophobicContact CG-CB 4.19Å; M332-N343 HydrophobicContact SD-CB 3.86Å; M332-Y351 HydrophobicContact CB-CD2 4.16Å; M332-Y351 HydrophobicContact CB-CE2 3.55Å; M332-Y351 HydrophobicContact CE-CD1 4.25Å; M332-Y351 HydrophobicContact CE-CD2 4.08Å; M332-Y351 HydrophobicContact CE-CE1 4.27Å; M332-Y351 HydrophobicContact CE-CE2 4.12Å; M332-Y351 HydrophobicContact CE-CG 4.14Å; M332-Y351 HydrophobicContact CG-CE2 3.88Å
333	R	97.8	Very high	97.1	Very high	94 Å²	94	33.8 Å²	33.8	36%	0.355	18%	0.178	S	C	.	.	H	α-helix	trans	-59.2	-43.7	174.9	-169.5	-166.8	65.7	69.5	-2.9	111.6	S329 E330 C331 T337 S442	S329-R333 PolarHBondContact O-N 3.05Å; E330-R333 VanDerWaalsContact CD-NE 3.32Å; E330-R333 PolarHBondContact O-N 3.28Å; E330-R333 IonicContact OE1-CZ 3.31Å; E330-R333 IonicContact OE1-NE 2.71Å; E330-R333 PolarHBondContact OE1-NE 3.1Å; E330-R333 IonicContact OE1-NH2 2.82Å; E330-R333 PolarHBondContact OE1-NH2 3.38Å; E330-R333 IonicContact OE2-CZ 3.64Å; E330-R333 IonicContact OE2-NE 2.98Å; E330-R333 PolarHBondContact OE2-NE 2.96Å; E330-R333 IonicContact OE2-NH2 3.44Å; C331-R333 VanDerWaalsContact C-N 3.32Å; C331-R333 PolarHBondContact O-N 2.9Å; R333-T337 VanDerWaalsContact O-CB 3.27Å; R333-T337 WeakPolarHBondContact O-CB 3.44Å; R333-T337 PolarHBondContact O-N 3.45Å; R333-T337 PolarHBondContact O-OG1 2.98Å; R333-S442 PolarHBondContact NH2-OG 2.92Å; R333-S442 VanDerWaalsContact NH2-OG 3.12Å
334	L	98.1	Very high	97.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-66.1	-43.5	179.5	-69.2	177.3	0	0	0	112.1	E330 C331 M332 N336 T337 H338 A406 L407 D410 V444	E330-L334 VanDerWaalsContact O-CG 3.31Å; E330-L334 WeakPolarHBondContact O-CG 3.28Å; E330-L334 PolarHBondContact O-N 3.5Å; C331-L334 PolarHBondContact O-N 2.76Å; C331-L334 VanDerWaalsContact O-N 3.14Å; M332-L334 VanDerWaalsContact C-N 3.33Å; M332-L334 PolarHBondContact O-N 3.39Å; L334-N336 PolarHBondContact O-N 3.24Å; L334-T337 PolarHBondContact O-N 3.35Å; L334-H338 WeakPolarHBondContact O-CB 3.26Å; L334-H338 PolarHBondContact O-CD2 3.48Å; L334-H338 PolarHBondContact O-N 2.82Å; L334-A406 HydrophobicContact CB-CB 4.17Å; L334-L407 HydrophobicContact CD1-CD2 3.62Å; L334-L407 HydrophobicContact CD1-CG 4.32Å; L334-D410 HydrophobicContact CD2-CB 3.9Å; L334-V444 HydrophobicContact CD1-CG1 3.97Å
335	L	97.8	Very high	97	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-57.7	-48	175.5	-68.2	166	0	0	0	111.5	L327 C331 M332 L339 K340 L341 M399 R402 V403 A406	L327-L335 HydrophobicContact CD1-CD1 3.91Å; C331-L335 WeakPolarHBondContact O-CG 3.16Å; C331-L335 PolarHBondContact O-N 2.89Å; M332-L335 PolarHBondContact O-N 3.48Å; M332-L335 HydrophobicContact SD-CD1 4.44Å; L335-L339 HydrophobicContact CD2-CD1 4.06Å; L335-L339 CarbonylContact O-C 3.56Å; L335-L339 WeakPolarHBondContact O-CA 3.33Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 PolarHBondContact O-N 3.22Å; L335-K340 PolarHBondContact O-N 3.46Å; L335-L341 HydrophobicContact CB-CB 4.45Å; L335-L341 HydrophobicContact CD2-CD1 4.25Å; L335-L341 PolarHBondContact O-N 3.06Å; L335-M399 WeakPolarHBondContact CD1-O 3.28Å; L335-R402 HydrophobicContact CD2-CB 4.24Å; L335-V403 HydrophobicContact CD1-CG2 4.15Å; L335-V403 HydrophobicContact CD2-CG2 4.29Å; L335-V403 HydrophobicContact CG-CG2 4.46Å; L335-A406 HydrophobicContact CD2-CB 4.09Å
336	N	96.8	Very high	96.9	Very high	88 Å²	88	40.1 Å²	40.1	47%	0.471	22%	0.22	S	C	.	.	I	π-helix	trans	-65.3	-44.6	177.9	-176.5	25.3	0	0	0	111.7	M332 L334 K340 L341	M332-N336 PolarHBondContact O-N 2.84Å; L334-N336 PolarHBondContact O-N 3.24Å; N336-K340 WeakPolarHBondContact O-CA 3.49Å; N336-K340 PolarHBondContact O-N 3.04Å; N336-L341 WeakPolarHBondContact CA-O 3.49Å
337	T	97.1	Very high	96.9	Very high	58 Å²	58	46.8 Å²	46.8	36%	0.356	26%	0.255	S	S	.	.	I	π-helix	trans	-63.9	-51	-176.9	-59.1	0	0	0	0	111.6	R333 L334 K340	R333-T337 VanDerWaalsContact O-CB 3.27Å; R333-T337 WeakPolarHBondContact O-CB 3.44Å; R333-T337 PolarHBondContact O-N 3.45Å; R333-T337 PolarHBondContact O-OG1 2.98Å; L334-T337 PolarHBondContact O-N 3.35Å; T337-K340 PolarHBondContact O-NZ 3.43Å
338	H	97.4	Very high	96.9	Very high	48 Å²	48	47 Å²	47	22%	0.222	26%	0.257	C	S	.	.	I	π-helix	trans	-96.6	-33.6	-167.8	-63.9	-55.8	0	0	0	113.6	L334 A406 H409 D410	L334-H338 WeakPolarHBondContact O-CB 3.26Å; L334-H338 PolarHBondContact O-CD2 3.48Å; L334-H338 PolarHBondContact O-N 2.82Å; H338-A406 PolarHBondContact CD2-O 2.93Å; H338-H409 HydrophobicContact CB-CB 3.79Å; H338-D410 IonicContact CE1-OD1 2.71Å; H338-D410 WeakPolarHBondContact NE2-CA 3.36Å; H338-D410 WeakPolarHBondContact NE2-CB 3.49Å; H338-D410 IonicContact NE2-OD1 3.42Å; H338-D410 PolarHBondContact NE2-OD1 2.86Å
339	L	96.9	Very high	96.9	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.12	27%	0.271	C	S	.	.	I	π-helix	trans	-110.6	-3.9	-174.7	-52.6	-174.9	0	0	0	113.7	L335 L341 R402 E405 A406	L335-L339 HydrophobicContact CD2-CD1 4.06Å; L335-L339 CarbonylContact O-C 3.56Å; L335-L339 WeakPolarHBondContact O-CA 3.33Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 PolarHBondContact O-N 3.22Å; L339-L341 HydrophobicContact CB-CD1 4.15Å; L339-L341 HydrophobicContact CB-CG 3.98Å; L339-L341 HydrophobicContact CD1-CD1 4.28Å; L339-L341 PolarHBondContact O-N 3.32Å; L339-R402 HydrophobicContact CD1-CB 3.69Å; L339-R402 WeakPolarHBondContact CD1-O 3.46Å; L339-E405 HydrophobicContact CD1-CB 4.29Å; L339-E405 HydrophobicContact CD1-CG 4.36Å; L339-E405 HydrophobicContact CD2-CG 4.08Å; L339-A406 HydrophobicContact CD1-CB 3.91Å; L339-A406 HydrophobicContact CG-CB 4.06Å
340	K	96.8	Very high	96.9	Very high	161 Å²	161	47.4 Å²	47.4	70%	0.7	26%	0.257	S	S	*	.			trans	57.2	29.3	-178.2	-48.9	-53.4	-179.2	-162.4	0	113.3	L335 N336 T337	L335-K340 PolarHBondContact O-N 3.46Å; N336-K340 WeakPolarHBondContact O-CA 3.49Å; N336-K340 PolarHBondContact O-N 3.04Å; T337-K340 PolarHBondContact O-NZ 3.43Å
341	L	94.3	Very high	96.9	Very high	28 Å²	28	45.6 Å²	45.6	15%	0.147	25%	0.248	C	C	.	.			trans	-84.5	114.2	173.5	-62.8	178.1	0	0	0	108.9	L335 N336 L339 M399 R402	L335-L341 HydrophobicContact CB-CB 4.45Å; L335-L341 HydrophobicContact CD2-CD1 4.25Å; L335-L341 PolarHBondContact O-N 3.06Å; N336-L341 WeakPolarHBondContact CA-O 3.49Å; L339-L341 HydrophobicContact CB-CD1 4.15Å; L339-L341 HydrophobicContact CB-CG 3.98Å; L339-L341 HydrophobicContact CD1-CD1 4.28Å; L339-L341 PolarHBondContact O-N 3.32Å; L341-M399 HydrophobicContact CB-CE 4.13Å; L341-M399 HydrophobicContact CB-SD 4.04Å; L341-R402 HydrophobicContact CD1-CB 4.41Å
342	A	92.7	Very high	96.9	Very high	68 Å²	68	45.6 Å²	45.6	56%	0.562	25%	0.248	S	C	*	.			trans	-76.7	136.7	-179.6	0	0	0	0	0	111.1	P344 M399	A342-P344 WeakPolarHBondContact O-CD 3.33Å; A342-M399 WeakPolarHBondContact O-CE 3.3Å
343	N	95.4	Very high	96.9	Very high	32 Å²	32	45.3 Å²	45.3	17%	0.171	25%	0.246	C	C	.	.			trans	-58.5	121.8	171.2	-175.7	1.8	0	0	0	109	M332 I345 S346 D347 Y351	M332-N343 HydrophobicContact CE-CB 4.46Å; M332-N343 HydrophobicContact CG-CB 4.19Å; M332-N343 HydrophobicContact SD-CB 3.86Å; N343-I345 PolarHBondContact ND2-O 2.94Å; N343-I345 PolarHBondContact O-N 3.4Å; N343-I345 WeakPolarHBondContact OD1-CG1 3.18Å; N343-I345 PolarHBondContact OD1-N 3.23Å; N343-I345 PolarHBondContact OD1-O 2.99Å; N343-S346 PolarHBondContact ND2-O 3.44Å; N343-D347 PolarHBondContact ND2-OD1 2.78Å; N343-Y351 PolarHBondContact ND2-OH 2.71Å; N343-Y351 VanDerWaalsContact ND2-OH 3.11Å
344	P	95.2	Very high	96.9	Very high	55 Å²	55	40.8 Å²	40.8	36%	0.357	23%	0.23	S	C	.	.	S	Bend	trans	-77	-6.1	-176.3	32.2	-36.3	0	0	0	113.2	F297 A342 T385 L396	F297-P344 HydrophobicContact CD1-CG 3.85Å; F297-P344 HydrophobicContact CE1-CG 4.09Å; F297-P344 HydrophobicContact CG-CG 4.24Å; A342-P344 WeakPolarHBondContact O-CD 3.33Å; P344-T385 HydrophobicContact CB-CG2 4.25Å; P344-T385 HydrophobicContact CG-CG2 4.39Å; P344-L396 HydrophobicContact CB-CD2 4.3Å; P344-L396 HydrophobicContact CG-CD2 4Å
345	I	96.9	Very high	96.9	Very high	22 Å²	22	41 Å²	41	11%	0.113	23%	0.231	C	C	.	.	S	Bend	trans	-134.1	-175.1	179.8	63.7	166.5	0	0	0	110.3	F297 N343 Y351 D383 T385	F297-I345 HydrophobicContact CD1-CD1 3.84Å; F297-I345 HydrophobicContact CD1-CG1 3.97Å; F297-I345 HydrophobicContact CD1-CG2 4.45Å; F297-I345 HydrophobicContact CE1-CD1 3.94Å; F297-I345 HydrophobicContact CE1-CG1 3.94Å; N343-I345 PolarHBondContact ND2-O 2.94Å; N343-I345 PolarHBondContact O-N 3.4Å; N343-I345 WeakPolarHBondContact OD1-CG1 3.18Å; N343-I345 PolarHBondContact OD1-N 3.23Å; N343-I345 PolarHBondContact OD1-O 2.99Å; I345-Y351 HydrophobicContact CD1-CD1 4.03Å; I345-Y351 HydrophobicContact CD1-CE1 4.2Å; I345-Y351 HydrophobicContact CG1-CD1 4.4Å; I345-Y351 HydrophobicContact CG1-CE1 4.23Å; I345-D383 HydrophobicContact CB-CB 4.31Å; I345-D383 HydrophobicContact CD1-CB 4.38Å; I345-T385 HydrophobicContact CG2-CG2 3.93Å
346	S	95.7	Very high	96.9	Very high	62 Å²	62	41.1 Å²	41.1	43%	0.434	23%	0.231	S	C	.	.			trans	-65.3	153.1	173.9	-53.1	0	0	0	0	112.8	N343 C348 D383	N343-S346 PolarHBondContact ND2-O 3.44Å; S346-C348 PolarHBondContact O-N 3.48Å; S346-C348 PolarHBondContact O-SG 3.07Å; S346-C348 VanDerWaalsContact O-SG 3.38Å; S346-D383 VanDerWaalsContact CB-OD2 3.27Å; S346-D383 WeakPolarHBondContact CB-OD2 3.45Å; S346-D383 PolarHBondContact N-OD2 3.27Å; S346-D383 PolarHBondContact OG-OD2 3.4Å
347	D	97.1	Very high	97	Very high	140 Å²	140	37 Å²	37	75%	0.749	21%	0.209	S	C	*	.			trans	-63.5	125.7	177.4	-72.2	-23.8	0	0	0	111.8	N343 Y351	N343-D347 PolarHBondContact ND2-OD1 2.78Å; D347-Y351 WeakPolarHBondContact CA-OH 3.43Å
348	C	97.9	Very high	97	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.041	20%	0.196	C	C	.	.			trans	-131.4	152.4	178.8	-61.4	0	0	0	0	110.7	S329 S346 F350 Y351 T382	S329-C348 WeakPolarHBondContact CB-O 3.48Å; S346-C348 PolarHBondContact O-N 3.48Å; S346-C348 PolarHBondContact O-SG 3.07Å; S346-C348 VanDerWaalsContact O-SG 3.38Å; C348-F350 VanDerWaalsContact C-N 3.27Å; C348-F350 WeakPolarHBondContact CB-O 3.16Å; C348-F350 PolarHBondContact O-N 2.75Å; C348-Y351 HydrophobicContact CB-CD1 4.33Å; C348-Y351 HydrophobicContact CB-CE1 3.84Å; C348-Y351 PolarHBondContact N-OH 3.42Å; C348-Y351 VanDerWaalsContact O-CE2 3.22Å; C348-Y351 WeakPolarHBondContact O-CE2 3.38Å; C348-Y351 VanDerWaalsContact O-CZ 3.23Å; C348-Y351 PolarHBondContact O-OH 2.94Å; C348-Y351 VanDerWaalsContact O-OH 3.09Å; C348-T382 PolarHBondContact SG-OG1 3.41Å
349	P	98.1	Very high	97	Very high	43 Å²	43	36.9 Å²	36.9	28%	0.279	22%	0.217	S	C	.	.	S	Bend	trans	-60.7	-33.1	170.9	-27.2	36.6	0	0	0	114.2	C300 E301 S329	C300-P349 WeakPolarHBondContact O-CD 3.48Å; E301-P349 WeakPolarHBondContact O-CG 3.38Å; E301-P349 WeakPolarHBondContact OE2-CD 3.48Å; S329-P349 PolarHBondContact N-O 2.92Å
350	F	98.6	Very high	97.1	Very high	18 Å²	18	39 Å²	39	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.7	-179.4	-60.8	-83.3	0	0	0	111.3	G299 C300 F303 L306 C348 Y426	G299-F350 WeakPolarHBondContact CA-O 3.28Å; C300-F350 HydrophobicContact CB-CB 4.36Å; C300-F350 PolarHBondContact N-O 2.9Å; C300-F350 PolarHBondContact O-N 2.7Å; C300-F350 VanDerWaalsContact O-N 3.15Å; F303-F350 HydrophobicContact CB-CE1 4.15Å; F303-F350 HydrophobicContact CB-CE2 4.14Å; F303-F350 HydrophobicContact CB-CZ 3.82Å; F303-F350 AromaticContact CD2-CD1 3.88Å; F303-F350 HydrophobicContact CD2-CD1 3.88Å; F303-F350 AromaticContact CD2-CE1 3.62Å; F303-F350 HydrophobicContact CD2-CE1 3.62Å; F303-F350 HydrophobicContact CD2-CZ 4.19Å; F303-F350 HydrophobicContact CG-CE1 4.33Å; F303-F350 HydrophobicContact CG-CZ 4.48Å; L306-F350 HydrophobicContact CD1-CB 4.14Å; C348-F350 VanDerWaalsContact C-N 3.27Å; C348-F350 WeakPolarHBondContact CB-O 3.16Å; C348-F350 PolarHBondContact O-N 2.75Å; F350-Y426 AromaticContact CE1-CD1 3.57Å; F350-Y426 HydrophobicContact CE1-CD1 3.57Å; F350-Y426 AromaticContact CE1-CD2 3.92Å; F350-Y426 HydrophobicContact CE1-CD2 3.92Å; F350-Y426 AromaticContact CE1-CE1 3.29Å; F350-Y426 HydrophobicContact CE1-CE1 3.29Å; F350-Y426 AromaticContact CE1-CE2 3.68Å; F350-Y426 HydrophobicContact CE1-CE2 3.68Å; F350-Y426 AromaticContact CE1-CG 3.86Å; F350-Y426 HydrophobicContact CE1-CG 3.86Å; F350-Y426 AromaticContact CE1-CZ 3.32Å; F350-Y426 AromaticContact CZ-CD1 3.64Å; F350-Y426 HydrophobicContact CZ-CD1 3.64Å; F350-Y426 AromaticContact CZ-CE1 3.32Å; F350-Y426 HydrophobicContact CZ-CE1 3.32Å; F350-Y426 HydrophobicContact CZ-CG 4.35Å; F350-Y426 AromaticContact CZ-CZ 3.81Å
351	Y	98.6	Very high	97	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.9	175.8	-53.7	-85.5	0	0	0	110.5	F297 L298 F326 L327 M332 N343 I345 D347 C348	F297-Y351 AromaticContact CE1-CD1 3.48Å; F297-Y351 HydrophobicContact CE1-CD1 3.48Å; F297-Y351 VanDerWaalsContact CE1-CD1 3.48Å; F297-Y351 HydrophobicContact CE1-CE1 4.29Å; F297-Y351 HydrophobicContact CE1-CG 4.01Å; F297-Y351 AromaticContact CZ-CD1 3.81Å; F297-Y351 HydrophobicContact CZ-CD1 3.81Å; F297-Y351 AromaticContact CZ-CG 3.85Å; F297-Y351 HydrophobicContact CZ-CG 3.85Å; L298-Y351 CarbonylContact O-C 3.57Å; L298-Y351 VanDerWaalsContact O-CA 3.27Å; L298-Y351 WeakPolarHBondContact O-CA 3.49Å; F326-Y351 WeakPolarHBondContact CA-O 3.32Å; F326-Y351 WeakPolarHBondContact CB-O 3.49Å; L327-Y351 HydrophobicContact CG-CD2 4.31Å; L327-Y351 PolarHBondContact N-O 2.86Å; L327-Y351 PolarHBondContact O-N 3.09Å; M332-Y351 HydrophobicContact CB-CD2 4.16Å; M332-Y351 HydrophobicContact CB-CE2 3.55Å; M332-Y351 HydrophobicContact CE-CD1 4.25Å; M332-Y351 HydrophobicContact CE-CD2 4.08Å; M332-Y351 HydrophobicContact CE-CE1 4.27Å; M332-Y351 HydrophobicContact CE-CE2 4.12Å; M332-Y351 HydrophobicContact CE-CG 4.14Å; M332-Y351 HydrophobicContact CG-CE2 3.88Å; N343-Y351 PolarHBondContact ND2-OH 2.71Å; N343-Y351 VanDerWaalsContact ND2-OH 3.11Å; I345-Y351 HydrophobicContact CD1-CD1 4.03Å; I345-Y351 HydrophobicContact CD1-CE1 4.2Å; I345-Y351 HydrophobicContact CG1-CD1 4.4Å; I345-Y351 HydrophobicContact CG1-CE1 4.23Å; D347-Y351 WeakPolarHBondContact CA-OH 3.43Å; C348-Y351 HydrophobicContact CB-CD1 4.33Å; C348-Y351 HydrophobicContact CB-CE1 3.84Å; C348-Y351 PolarHBondContact N-OH 3.42Å; C348-Y351 VanDerWaalsContact O-CE2 3.22Å; C348-Y351 WeakPolarHBondContact O-CE2 3.38Å; C348-Y351 VanDerWaalsContact O-CZ 3.23Å; C348-Y351 PolarHBondContact O-OH 2.94Å; C348-Y351 VanDerWaalsContact O-OH 3.09Å
352	I	98.2	Very high	97.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.4	-179.5	-53.6	169.1	0	0	0	108.6	F297 L298 C300 L306 T309 F324 E325 I354	F297-I352 CarbonylContact C-O 3.59Å; F297-I352 VanDerWaalsContact CA-O 3.32Å; F297-I352 WeakPolarHBondContact CA-O 3.17Å; L298-I352 HydrophobicContact CB-CB 4.35Å; L298-I352 PolarHBondContact N-O 3.4Å; L298-I352 PolarHBondContact O-N 2.72Å; C300-I352 VanDerWaalsContact SG-CD1 3.58Å; L306-I352 HydrophobicContact CB-CD1 4.21Å; L306-I352 HydrophobicContact CD1-CD1 4.3Å; L306-I352 HydrophobicContact CD1-CG1 3.82Å; L306-I352 HydrophobicContact CG-CD1 3.82Å; L306-I352 HydrophobicContact CG-CG1 3.86Å; T309-I352 HydrophobicContact CG2-CD1 3.83Å; F324-I352 HydrophobicContact CD1-CG2 4.02Å; F324-I352 HydrophobicContact CD2-CG2 4.33Å; F324-I352 HydrophobicContact CE1-CD1 4.44Å; F324-I352 HydrophobicContact CE1-CG1 4.48Å; F324-I352 HydrophobicContact CE1-CG2 3.53Å; F324-I352 HydrophobicContact CE2-CG2 3.86Å; F324-I352 HydrophobicContact CG-CG2 4.43Å; F324-I352 HydrophobicContact CZ-CD1 3.97Å; F324-I352 HydrophobicContact CZ-CG1 4.42Å; F324-I352 HydrophobicContact CZ-CG2 3.45Å; F324-I352 VanDerWaalsContact CZ-CG2 3.45Å; E325-I352 CarbonylContact O-C 3Å; E325-I352 VanDerWaalsContact O-CA 3.3Å; E325-I352 WeakPolarHBondContact O-CA 3.27Å; E325-I352 WeakPolarHBondContact O-CG2 3.5Å; I352-I354 HydrophobicContact CG2-CD1 4.13Å; I352-I354 HydrophobicContact CG2-CG1 3.6Å
353	V	97.9	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.8	166.2	-167.4	0	0	0	0	108.5	V295 V296 F297 E325 L327 W397 R400	V295-V353 HydrophobicContact CG1-CG1 3.82Å; V296-V353 WeakPolarHBondContact O-CA 3.46Å; F297-V353 HydrophobicContact CD2-CG2 3.71Å; F297-V353 HydrophobicContact CE2-CG2 3.8Å; E325-V353 HydrophobicContact CB-CB 4.21Å; E325-V353 PolarHBondContact N-O 2.98Å; E325-V353 PolarHBondContact O-N 2.77Å; L327-V353 HydrophobicContact CD2-CG2 4.32Å; V353-W397 HydrophobicContact CG1-CD2 4.42Å; V353-W397 HydrophobicContact CG1-CE3 4.31Å; V353-W397 HydrophobicContact CG1-CZ3 4.41Å; V353-R400 HydrophobicContact CG2-CB 4.02Å
354	I	97.9	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.1	177.7	-53.9	179.4	0	0	0	107.9	V295 V296 L298 L317 L321 A323 F324 I352 F371	V295-I354 CarbonylContact C-O 3.41Å; V295-I354 VanDerWaalsContact CA-O 3.31Å; V295-I354 WeakPolarHBondContact CA-O 3.44Å; V296-I354 HydrophobicContact CB-CB 4.34Å; V296-I354 PolarHBondContact N-O 3.23Å; V296-I354 PolarHBondContact O-N 3.37Å; L298-I354 HydrophobicContact CD1-CD1 3.86Å; L317-I354 HydrophobicContact CD1-CG2 4.15Å; L321-I354 HydrophobicContact CD1-CG2 3.67Å; A323-I354 WeakPolarHBondContact O-CA 3.39Å; F324-I354 HydrophobicContact CD2-CD1 4.01Å; F324-I354 HydrophobicContact CD2-CG1 3.8Å; F324-I354 HydrophobicContact CE2-CD1 3.68Å; F324-I354 HydrophobicContact CE2-CG1 3.88Å; I352-I354 HydrophobicContact CG2-CD1 4.13Å; I352-I354 HydrophobicContact CG2-CG1 3.6Å; I354-F371 HydrophobicContact CD1-CE1 3.75Å; I354-F371 HydrophobicContact CD1-CZ 3.68Å
355	E	98.1	Very high	97.6	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.028	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140	168.5	-168.8	-171.9	81.9	0	0	109.6	R226 V293 N294 V295 S322 A323 W397	R226-E355 IonicContact NE-OE1 3.5Å; R226-E355 IonicContact NH2-OE1 3.93Å; R226-E355 IonicContact NH2-OE2 3.48Å; V293-E355 HydrophobicContact CG1-CG 4.03Å; N294-E355 CarbonylContact O-C 3.49Å; N294-E355 WeakPolarHBondContact O-CA 3.49Å; V295-E355 HydrophobicContact CG2-CB 4.34Å; V295-E355 HydrophobicContact CG2-CG 4.01Å; S322-E355 PolarHBondContact N-O 2.95Å; S322-E355 VanDerWaalsContact OG-C 3.3Å; S322-E355 WeakPolarHBondContact OG-CB 3.35Å; S322-E355 WeakPolarHBondContact OG-CG 3.43Å; S322-E355 PolarHBondContact OG-O 3.24Å; S322-E355 PolarHBondContact OG-OE1 3.1Å; A323-E355 HydrophobicContact CB-CB 3.81Å; A323-E355 PolarHBondContact N-O 2.83Å; A323-E355 PolarHBondContact O-N 3.08Å; E355-W397 HydrophobicContact CB-CZ2 3.8Å; E355-W397 HydrophobicContact CG-CZ2 4.36Å; E355-W397 PolarHBondContact OE2-NE1 3.27Å
356	T	98.3	Very high	97.7	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	145.2	165.6	57.5	0	0	0	0	110	V293 N294 L317 I320 L368	V293-T356 VanDerWaalsContact CA-O 3.27Å; V293-T356 WeakPolarHBondContact CA-O 3.24Å; N294-T356 WeakPolarHBondContact CB-OG1 3.34Å; N294-T356 PolarHBondContact N-O 3.19Å; N294-T356 VanDerWaalsContact N-O 3.09Å; N294-T356 PolarHBondContact ND2-OG1 3.2Å; N294-T356 VanDerWaalsContact ND2-OG1 3.13Å; N294-T356 PolarHBondContact O-N 2.82Å; L317-T356 HydrophobicContact CD1-CG2 3.75Å; I320-T356 HydrophobicContact CD1-CG2 3.91Å; I320-T356 HydrophobicContact CG1-CG2 3.98Å; I320-T356 CarbonylContact O-C 3.44Å; I320-T356 WeakPolarHBondContact O-CA 3.28Å; I320-T356 WeakPolarHBondContact O-CB 3.44Å; T356-L368 HydrophobicContact CG2-CD1 4.5Å
357	S	97.9	Very high	97.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	112.3	177	-69.9	0	0	0	0	109.1	R229 S292 I320 S322	R229-S357 PolarHBondContact NH1-O 2.92Å; R229-S357 PolarHBondContact NH2-O 3.31Å; S292-S357 WeakPolarHBondContact O-CA 3.37Å; I320-S357 PolarHBondContact O-N 2.96Å; S322-S357 PolarHBondContact OG-OG 3.35Å; S322-S357 VanDerWaalsContact OG-OG 3.1Å
358	G	97.6	Very high	97.9	Very high	9 Å²	9	35.9 Å²	35.9	9%	0.093	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	-179	-175.7	0	0	0	0	0	114	K291 S292 D364	K291-G358 PolarHBondContact N-O 3.23Å; S292-G358 PolarHBondContact N-O 3.25Å; S292-G358 VanDerWaalsContact N-O 3.13Å; S292-G358 PolarHBondContact O-N 3.1Å; G358-D364 WeakPolarHBondContact CA-OD2 3.38Å; G358-D364 PolarHBondContact N-OD2 3.04Å
359	S	97.4	Very high	97.9	Very high	95 Å²	95	37.8 Å²	37.8	66%	0.664	21%	0.208	S	C	*	.	S	Bend	trans	-100.7	-14.1	-174.5	57.9	0	0	0	0	113.8	K291	K291-S359 WeakPolarHBondContact CD-O 3.46Å
360	D	97.8	Very high	97.9	Very high	68 Å²	68	38.8 Å²	38.8	36%	0.364	21%	0.211	S	C	.	.			trans	-140	115.8	-174.5	-174.8	-66.5	0	0	0	109.5	D362 H363 D364	D360-D362 VanDerWaalsContact C-N 3.29Å; D360-D362 PolarHBondContact O-N 3.3Å; D360-D362 PolarHBondContact OD1-N 3.45Å; D360-H363 HydrophobicContact CB-CB 4.2Å; D360-H363 PolarHBondContact OD1-N 3.18Å; D360-D364 WeakPolarHBondContact O-CB 3.27Å; D360-D364 PolarHBondContact O-N 3.45Å
361	S	96.3	Very high	97.9	Very high	66 Å²	66	37.9 Å²	37.9	46%	0.462	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-29.7	-174.2	53.2	0	0	0	0	113.5	S365	S361-S365 WeakPolarHBondContact O-CB 3.34Å; S361-S365 PolarHBondContact O-N 2.86Å; S361-S365 PolarHBondContact O-OG 3.22Å
362	D	97.3	Very high	97.9	Very high	109 Å²	109	38 Å²	38	58%	0.583	21%	0.208	S	C	*	.	H	α-helix	trans	-78.2	-44.4	-176.2	-69.7	-22.2	0	0	0	110.2	D360 S365 Q366	D360-D362 VanDerWaalsContact C-N 3.29Å; D360-D362 PolarHBondContact O-N 3.3Å; D360-D362 PolarHBondContact OD1-N 3.45Å; D362-S365 PolarHBondContact O-N 3.34Å; D362-Q366 WeakPolarHBondContact O-CB 3.45Å; D362-Q366 PolarHBondContact O-N 3.02Å
363	H	98.1	Very high	97.9	Very high	133 Å²	133	42.9 Å²	42.9	62%	0.616	23%	0.231	S	C	*	.	H	α-helix	trans	-60.9	-45.9	171.6	-84.1	174	0	0	0	112.4	D360 S365 Q366 K367	D360-H363 HydrophobicContact CB-CB 4.2Å; D360-H363 PolarHBondContact OD1-N 3.18Å; H363-S365 VanDerWaalsContact C-N 3.33Å; H363-S365 PolarHBondContact O-N 3.22Å; H363-Q366 PolarHBondContact O-N 2.91Å; H363-K367 PolarHBondContact O-N 2.68Å
364	D	98	Very high	97.9	Very high	5 Å²	5	47 Å²	47	3%	0.027	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-44	179.5	-66.9	-6.1	0	0	0	111	S292 I320 G358 D360 Q366 K367 L368	S292-D364 WeakPolarHBondContact CB-OD2 3.24Å; S292-D364 PolarHBondContact OG-OD2 3.31Å; I320-D364 HydrophobicContact CD1-CB 3.99Å; I320-D364 WeakPolarHBondContact CG2-OD1 3.32Å; G358-D364 WeakPolarHBondContact CA-OD2 3.38Å; G358-D364 PolarHBondContact N-OD2 3.04Å; D360-D364 WeakPolarHBondContact O-CB 3.27Å; D360-D364 PolarHBondContact O-N 3.45Å; D364-Q366 PolarHBondContact O-N 3.32Å; D364-K367 PolarHBondContact O-N 2.92Å; D364-L368 WeakPolarHBondContact O-CB 3.46Å; D364-L368 PolarHBondContact O-N 3.4Å
365	S	96.9	Very high	97.9	Very high	29 Å²	29	47 Å²	47	20%	0.203	25%	0.25	C	S	.	.	H	α-helix	trans	-62.5	-40.5	176.9	-64.7	0	0	0	0	112.1	S361 D362 H363 L368 H369	S361-S365 WeakPolarHBondContact O-CB 3.34Å; S361-S365 PolarHBondContact O-N 2.86Å; S361-S365 PolarHBondContact O-OG 3.22Å; D362-S365 PolarHBondContact O-N 3.34Å; H363-S365 VanDerWaalsContact C-N 3.33Å; H363-S365 PolarHBondContact O-N 3.22Å; S365-L368 PolarHBondContact O-N 3.21Å; S365-H369 WeakPolarHBondContact O-CB 3.3Å; S365-H369 PolarHBondContact O-N 3.49Å
366	Q	98.1	Very high	97.8	Very high	104 Å²	104	48 Å²	48	49%	0.486	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-44.5	178.1	-173.9	64.8	60.1	0	0	111.8	D362 H363 D364 L368 H369 N370	D362-Q366 WeakPolarHBondContact O-CB 3.45Å; D362-Q366 PolarHBondContact O-N 3.02Å; H363-Q366 PolarHBondContact O-N 2.91Å; D364-Q366 PolarHBondContact O-N 3.32Å; Q366-L368 VanDerWaalsContact C-N 3.31Å; Q366-L368 PolarHBondContact O-N 3.39Å; Q366-H369 PolarHBondContact O-N 3.43Å; Q366-N370 PolarHBondContact NE2-OD1 3.46Å; Q366-N370 VanDerWaalsContact O-CG 3.22Å; Q366-N370 PolarHBondContact O-N 3.27Å; Q366-N370 PolarHBondContact O-OD1 3.05Å
367	K	98.6	Very high	97.7	Very high	55 Å²	55	52.9 Å²	52.9	24%	0.239	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-45.5	174.5	-75.7	-173.6	175.8	-173.9	0	111.1	L317 E319 I320 H363 D364 N370 F371	L317-K367 HydrophobicContact CD2-CB 4.04Å; L317-K367 PolarHBondContact O-NZ 2.81Å; E319-K367 IonicContact OE1-NZ 2.8Å; E319-K367 PolarHBondContact OE1-NZ 3.09Å; E319-K367 IonicContact OE2-NZ 3.94Å; E319-K367 PolarHBondContact OE2-NZ 2.95Å; I320-K367 HydrophobicContact CD1-CB 4.13Å; I320-K367 HydrophobicContact CD1-CD 3.89Å; I320-K367 HydrophobicContact CG1-CD 4.23Å; H363-K367 PolarHBondContact O-N 2.68Å; D364-K367 PolarHBondContact O-N 2.92Å; K367-N370 PolarHBondContact O-N 2.98Å; K367-F371 WeakPolarHBondContact O-CB 3.44Å; K367-F371 PolarHBondContact O-N 3.25Å
368	L	98.1	Very high	97.7	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-43.6	179.6	-164.9	66.3	0	0	0	111.8	M6 N294 V296 L317 T356 D364 S365 Q366 F371 L372 V386	M6-L368 HydrophobicContact CE-CD2 4.4Å; N294-L368 HydrophobicContact CB-CD2 3.9Å; V296-L368 HydrophobicContact CG2-CD1 3.68Å; V296-L368 HydrophobicContact CG2-CD2 3.73Å; V296-L368 HydrophobicContact CG2-CG 4.08Å; L317-L368 HydrophobicContact CD1-CD1 4.12Å; L317-L368 HydrophobicContact CD2-CD1 4.23Å; T356-L368 HydrophobicContact CG2-CD1 4.5Å; D364-L368 WeakPolarHBondContact O-CB 3.46Å; D364-L368 PolarHBondContact O-N 3.4Å; S365-L368 PolarHBondContact O-N 3.21Å; Q366-L368 VanDerWaalsContact C-N 3.31Å; Q366-L368 PolarHBondContact O-N 3.39Å; L368-F371 HydrophobicContact CD1-CD1 4.28Å; L368-F371 PolarHBondContact O-N 3.02Å; L368-L372 HydrophobicContact CG-CD1 4.12Å; L368-L372 WeakPolarHBondContact O-CB 3.45Å; L368-L372 VanDerWaalsContact O-CG 3.23Å; L368-L372 WeakPolarHBondContact O-CG 3.45Å; L368-L372 PolarHBondContact O-N 2.96Å; L368-V386 HydrophobicContact CD2-CG1 3.91Å
369	H	97.7	Very high	97.7	Very high	46 Å²	46	60.4 Å²	60.4	21%	0.213	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-51.5	176.4	-179.1	68.1	0	0	0	111.7	M6 S365 Q366 F371 L372 E373	M6-H369 HydrophobicContact CE-CB 4.28Å; S365-H369 WeakPolarHBondContact O-CB 3.3Å; S365-H369 PolarHBondContact O-N 3.49Å; Q366-H369 PolarHBondContact O-N 3.43Å; H369-F371 VanDerWaalsContact C-N 3.31Å; H369-F371 PolarHBondContact O-N 3.37Å; H369-L372 PolarHBondContact O-N 3.11Å; H369-E373 WeakPolarHBondContact O-CB 3.31Å; H369-E373 PolarHBondContact O-N 3.45Å
370	N	98.5	Very high	97.7	Very high	64 Å²	64	57 Å²	57	34%	0.342	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-41.2	179.9	-64.8	-2.3	0	0	0	111.5	M316 Q366 K367 E374	M316-N370 VanDerWaalsContact CE-C 3.5Å; M316-N370 HydrophobicContact CE-CB 3.92Å; M316-N370 WeakPolarHBondContact CE-O 3.36Å; Q366-N370 PolarHBondContact NE2-OD1 3.46Å; Q366-N370 VanDerWaalsContact O-CG 3.22Å; Q366-N370 PolarHBondContact O-N 3.27Å; Q366-N370 PolarHBondContact O-OD1 3.05Å; K367-N370 PolarHBondContact O-N 2.98Å; N370-E374 PolarHBondContact O-N 3.39Å
371	F	98.6	Very high	97.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-46.6	175.9	162.2	-104.9	0	0	0	112.2	L298 T309 L312 C313 M316 L317 I354 K367 L368 H369 E374 A375	L298-F371 HydrophobicContact CD1-CE1 4.05Å; L298-F371 HydrophobicContact CD1-CZ 4.19Å; T309-F371 HydrophobicContact CG2-CE2 4.35Å; T309-F371 HydrophobicContact CG2-CZ 3.94Å; L312-F371 HydrophobicContact CB-CE2 4.36Å; L312-F371 HydrophobicContact CD2-CD2 4.14Å; L312-F371 HydrophobicContact CD2-CE2 4.12Å; L312-F371 HydrophobicContact CG-CD2 4.08Å; L312-F371 HydrophobicContact CG-CE2 4.18Å; C313-F371 HydrophobicContact CB-CD2 4.4Å; C313-F371 HydrophobicContact CB-CE2 3.71Å; C313-F371 HydrophobicContact CB-CZ 4.02Å; M316-F371 HydrophobicContact CB-CB 4.17Å; M316-F371 HydrophobicContact SD-CB 4.34Å; M316-F371 HydrophobicContact SD-CD2 4.43Å; L317-F371 HydrophobicContact CD1-CD1 4.22Å; L317-F371 HydrophobicContact CD1-CG 4.39Å; L317-F371 HydrophobicContact CD2-CB 3.65Å; L317-F371 HydrophobicContact CD2-CD1 4.38Å; L317-F371 HydrophobicContact CD2-CG 4.07Å; L317-F371 HydrophobicContact CG-CB 4.27Å; L317-F371 HydrophobicContact CG-CG 4.21Å; I354-F371 HydrophobicContact CD1-CE1 3.75Å; I354-F371 HydrophobicContact CD1-CZ 3.68Å; K367-F371 WeakPolarHBondContact O-CB 3.44Å; K367-F371 PolarHBondContact O-N 3.25Å; L368-F371 HydrophobicContact CD1-CD1 4.28Å; L368-F371 PolarHBondContact O-N 3.02Å; H369-F371 VanDerWaalsContact C-N 3.31Å; H369-F371 PolarHBondContact O-N 3.37Å; F371-E374 PolarHBondContact O-N 3.09Å; F371-A375 HydrophobicContact CE2-CB 4.4Å; F371-A375 HydrophobicContact CZ-CB 4.48Å; F371-A375 VanDerWaalsContact O-CB 3.26Å; F371-A375 WeakPolarHBondContact O-CB 3.27Å; F371-A375 PolarHBondContact O-N 2.93Å
372	L	98.3	Very high	97.6	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-41	179.7	-69.5	172.3	0	0	0	111.6	M6 V296 L298 L368 H369 A375 M376 V386	M6-L372 HydrophobicContact SD-CD1 4.38Å; V296-L372 HydrophobicContact CG1-CD2 3.83Å; L298-L372 HydrophobicContact CD1-CD2 4.33Å; L298-L372 HydrophobicContact CD2-CD2 3.83Å; L368-L372 HydrophobicContact CG-CD1 4.12Å; L368-L372 WeakPolarHBondContact O-CB 3.45Å; L368-L372 VanDerWaalsContact O-CG 3.23Å; L368-L372 WeakPolarHBondContact O-CG 3.45Å; L368-L372 PolarHBondContact O-N 2.96Å; H369-L372 PolarHBondContact O-N 3.11Å; L372-A375 PolarHBondContact O-N 3.18Å; L372-M376 WeakPolarHBondContact O-CB 3.4Å; L372-M376 WeakPolarHBondContact O-CG 3.43Å; L372-M376 PolarHBondContact O-N 2.92Å; L372-V386 HydrophobicContact CD1-CG2 3.54Å
373	E	98	Very high	97.6	Very high	102 Å²	102	47.8 Å²	47.8	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-58.8	-49.1	175.6	-176.8	175.8	-154.8	0	0	111.5	H369 T377	H369-E373 WeakPolarHBondContact O-CB 3.31Å; H369-E373 PolarHBondContact O-N 3.45Å; E373-T377 VanDerWaalsContact O-CB 3.25Å; E373-T377 WeakPolarHBondContact O-CB 3.4Å; E373-T377 PolarHBondContact O-N 3.16Å; E373-T377 PolarHBondContact O-OG1 3.37Å
374	E	98.4	Very high	97.5	Very high	87 Å²	87	41.7 Å²	41.7	41%	0.407	22%	0.22	S	C	.	.	H	α-helix	trans	-64.2	-50.3	177.3	-176.6	61	-156.8	0	0	110.8	L312 M316 N370 F371 M376 T377 S378	L312-E374 HydrophobicContact CD1-CG 3.91Å; L312-E374 HydrophobicContact CD2-CB 4.2Å; L312-E374 HydrophobicContact CD2-CG 3.84Å; L312-E374 HydrophobicContact CG-CG 4.47Å; M316-E374 HydrophobicContact CE-CB 4.08Å; M316-E374 HydrophobicContact SD-CB 3.94Å; M316-E374 HydrophobicContact SD-CG 4.16Å; N370-E374 PolarHBondContact O-N 3.39Å; F371-E374 PolarHBondContact O-N 3.09Å; E374-M376 PolarHBondContact O-N 3.19Å; E374-M376 VanDerWaalsContact O-N 3.16Å; E374-T377 PolarHBondContact O-N 3.46Å; E374-S378 PolarHBondContact O-N 3.39Å; E374-S378 PolarHBondContact O-OG 2.98Å; E374-S378 PolarHBondContact OE1-OG 3.13Å
375	A	98.1	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.4	-36.6	-178.1	0	0	0	0	0	113.2	L312 F371 L372 L380 V381	L312-A375 HydrophobicContact CD2-CB 4Å; F371-A375 HydrophobicContact CE2-CB 4.4Å; F371-A375 HydrophobicContact CZ-CB 4.48Å; F371-A375 VanDerWaalsContact O-CB 3.26Å; F371-A375 WeakPolarHBondContact O-CB 3.27Å; F371-A375 PolarHBondContact O-N 2.93Å; L372-A375 PolarHBondContact O-N 3.18Å; A375-L380 PolarHBondContact O-N 3.2Å; A375-V381 HydrophobicContact CB-CG2 4.03Å; A375-V381 PolarHBondContact O-N 2.95Å
376	M	95.8	Very high	97.5	Very high	26 Å²	26	43.8 Å²	43.8	13%	0.128	23%	0.232	C	C	.	.	H	α-helix	trans	-75.2	-42.8	175.3	-67.2	-66.5	-72.2	0	0	112	V9 F10 L372 E374 L379 V381	V9-M376 HydrophobicContact CG1-CG 4.4Å; F10-M376 HydrophobicContact CD1-CE 4.02Å; F10-M376 HydrophobicContact CE1-CE 4.13Å; F10-M376 HydrophobicContact CE1-SD 4.04Å; L372-M376 WeakPolarHBondContact O-CB 3.4Å; L372-M376 WeakPolarHBondContact O-CG 3.43Å; L372-M376 PolarHBondContact O-N 2.92Å; E374-M376 PolarHBondContact O-N 3.19Å; E374-M376 VanDerWaalsContact O-N 3.16Å; M376-L379 PolarHBondContact O-N 3.05Å; M376-L379 VanDerWaalsContact O-N 3.15Å; M376-V381 HydrophobicContact SD-CB 4Å; M376-V381 HydrophobicContact SD-CG1 3.75Å
377	T	97.2	Very high	97.4	Very high	103 Å²	103	39 Å²	39	63%	0.632	21%	0.21	S	C	*	.	H	α-helix	trans	-68.4	-38.1	-178	-59.5	0	0	0	0	112	E373 E374 L379	E373-T377 VanDerWaalsContact O-CB 3.25Å; E373-T377 WeakPolarHBondContact O-CB 3.4Å; E373-T377 PolarHBondContact O-N 3.16Å; E373-T377 PolarHBondContact O-OG1 3.37Å; E374-T377 PolarHBondContact O-N 3.46Å; T377-L379 PolarHBondContact O-N 2.84Å
378	S	97	Very high	97.1	Very high	52 Å²	52	40.5 Å²	40.5	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	2.4	174.5	-31.6	0	0	0	0	113.2	E374 L380	E374-S378 PolarHBondContact O-N 3.39Å; E374-S378 PolarHBondContact O-OG 2.98Å; E374-S378 PolarHBondContact OE1-OG 3.13Å; S378-L380 PolarHBondContact O-N 3.44Å
379	L	96.7	Very high	96.9	Very high	117 Å²	117	45.3 Å²	45.3	61%	0.613	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	31	-178.8	-54.6	173.9	0	0	0	113.8	Q305 M376 T377	Q305-L379 PolarHBondContact NE2-O 3.23Å; M376-L379 PolarHBondContact O-N 3.05Å; M376-L379 VanDerWaalsContact O-N 3.15Å; T377-L379 PolarHBondContact O-N 2.84Å
380	L	97.7	Very high	96.6	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.12	27%	0.265	C	S	.	.	S	Bend	trans	-76.7	-31.5	172.1	-64.8	179	0	0	0	111.2	C300 Q305 K308 L312 A375 S378	C300-L380 PolarHBondContact SG-O 3.27Å; Q305-L380 HydrophobicContact CG-CD2 4.41Å; K308-L380 HydrophobicContact CB-CD1 4.11Å; K308-L380 HydrophobicContact CB-CD2 3.68Å; K308-L380 HydrophobicContact CD-CD2 4Å; K308-L380 HydrophobicContact CG-CD2 4.49Å; L312-L380 HydrophobicContact CD2-CD1 4.09Å; A375-L380 PolarHBondContact O-N 3.2Å; S378-L380 PolarHBondContact O-N 3.44Å
381	V	97.4	Very high	96.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	27%	0.274	C	S	.	.			trans	-118.2	141.1	-178.7	174.9	0	0	0	0	109.7	L298 G299 T309 A375 M376 D383	L298-V381 HydrophobicContact CB-CG1 3.93Å; L298-V381 HydrophobicContact CB-CG2 4.27Å; L298-V381 HydrophobicContact CD1-CG2 4.05Å; L298-V381 HydrophobicContact CD2-CG1 4.08Å; L298-V381 HydrophobicContact CG-CG1 4.42Å; G299-V381 WeakPolarHBondContact O-CA 3.41Å; G299-V381 WeakPolarHBondContact O-CG1 3.3Å; T309-V381 HydrophobicContact CG2-CG2 4.17Å; A375-V381 HydrophobicContact CB-CG2 4.03Å; A375-V381 PolarHBondContact O-N 2.95Å; M376-V381 HydrophobicContact SD-CB 4Å; M376-V381 HydrophobicContact SD-CG1 3.75Å; V381-D383 WeakPolarHBondContact CG1-O 3.37Å
382	T	95.6	Very high	96.1	Very high	13 Å²	13	54.8 Å²	54.8	8%	0.08	30%	0.295	C	S	.	.	S	Bend	trans	-98.8	-31.4	-177.6	48.7	0	0	0	0	114.4	R17 G299 E301 C348	R17-T382 PolarHBondContact NH1-O 3.45Å; R17-T382 VanDerWaalsContact NH1-O 3.16Å; G299-T382 PolarHBondContact O-N 3.25Å; G299-T382 PolarHBondContact O-OG1 3.26Å; E301-T382 HydrophobicContact CG-CG2 3.57Å; E301-T382 WeakPolarHBondContact OE1-CG2 3.39Å; C348-T382 PolarHBondContact SG-OG1 3.41Å
383	D	96.8	Very high	96	Very high	33 Å²	33	55.5 Å²	55.5	18%	0.176	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	160.1	-179.9	-161.2	4.8	0	0	0	109.4	G299 I345 S346 V381	G299-D383 PolarHBondContact N-O 2.88Å; I345-D383 HydrophobicContact CB-CB 4.31Å; I345-D383 HydrophobicContact CD1-CB 4.38Å; S346-D383 VanDerWaalsContact CB-OD2 3.27Å; S346-D383 WeakPolarHBondContact CB-OD2 3.45Å; S346-D383 PolarHBondContact N-OD2 3.27Å; S346-D383 PolarHBondContact OG-OD2 3.4Å; V381-D383 WeakPolarHBondContact CG1-O 3.37Å
384	G	96.9	Very high	95.7	Very high	5 Å²	5	56.5 Å²	56.5	5%	0.052	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	163.5	-177.8	0	0	0	0	0	114.7	F10 F297	F10-G384 VanDerWaalsContact CD1-O 3.27Å; F10-G384 WeakPolarHBondContact CD1-O 3.19Å; F10-G384 VanDerWaalsContact CE1-C 3.45Å; F10-G384 VanDerWaalsContact CE1-N 3.32Å; F10-G384 VanDerWaalsContact CE1-O 3.24Å; F10-G384 WeakPolarHBondContact CE1-O 3.46Å; F10-G384 WeakPolarHBondContact CG-O 3.44Å; F10-G384 VanDerWaalsContact CZ-C 3.47Å; F10-G384 WeakPolarHBondContact CZ-O 3.42Å; F297-G384 CarbonylContact O-C 3.12Å; F297-G384 WeakPolarHBondContact O-CA 3.33Å
385	T	97.2	Very high	95.5	Very high	47 Å²	47	56.1 Å²	56.1	29%	0.288	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.5	174.3	-171.2	0	0	0	0	110.9	V296 F297 P344 I345 L396	V296-T385 WeakPolarHBondContact CA-O 3.46Å; V296-T385 WeakPolarHBondContact CG1-O 3.47Å; F297-T385 HydrophobicContact CB-CG2 3.9Å; F297-T385 PolarHBondContact N-O 2.94Å; F297-T385 PolarHBondContact O-N 2.93Å; P344-T385 HydrophobicContact CB-CG2 4.25Å; P344-T385 HydrophobicContact CG-CG2 4.39Å; I345-T385 HydrophobicContact CG2-CG2 3.93Å; T385-L396 HydrophobicContact CG2-CD1 4.36Å; T385-L396 HydrophobicContact CG2-CD2 3.97Å
386	V	96.6	Very high	95.3	Very high	32 Å²	32	56.6 Å²	56.6	19%	0.194	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.1	-176.3	-177.6	0	0	0	0	109.3	M6 V295 V296 L368 L372	M6-V386 HydrophobicContact SD-CB 4.26Å; M6-V386 HydrophobicContact SD-CG1 4.1Å; M6-V386 HydrophobicContact SD-CG2 4.05Å; V295-V386 CarbonylContact O-C 3.57Å; V295-V386 WeakPolarHBondContact O-CA 3.23Å; V296-V386 HydrophobicContact CG1-CG2 4.22Å; V296-V386 HydrophobicContact CG2-CG1 4.23Å; V296-V386 HydrophobicContact CG2-CG2 4.01Å; L368-V386 HydrophobicContact CD2-CG1 3.91Å; L372-V386 HydrophobicContact CD1-CG2 3.54Å
387	A	96	Very high	95.3	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.033	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	132.5	173.8	0	0	0	0	0	111.3	V295 K392 I393 L396	V295-A387 PolarHBondContact N-O 3.49Å; V295-A387 PolarHBondContact O-N 3.45Å; A387-K392 HydrophobicContact CB-CB 3.58Å; A387-I393 HydrophobicContact CB-CG1 4Å; A387-L396 HydrophobicContact CB-CD1 3.62Å; A387-L396 HydrophobicContact CB-CG 4.34Å
388	T	92.8	Very high	95.1	Very high	86 Å²	86	52.3 Å²	52.3	53%	0.528	28%	0.282	S	S	.	.			trans	-121	-16.6	172.4	61.1	0	0	0	0	112.1	N294	N294-T388 HydrophobicContact CB-CG2 4.41Å; N294-T388 WeakPolarHBondContact OD1-CG2 3.08Å
389	E	93.6	Very high	95	Very high	101 Å²	101	50 Å²	50	47%	0.472	27%	0.266	S	S	.	.	S	Bend	trans	-81.9	135.1	173.8	-67	164.2	-148.2	0	0	110.3	S391 K392 I393	E389-S391 VanDerWaalsContact C-N 3.3Å; E389-S391 PolarHBondContact O-N 3.21Å; E389-K392 HydrophobicContact CB-CD 4.39Å; E389-K392 PolarHBondContact O-N 2.69Å; E389-K392 IonicContact OE1-NZ 3.43Å; E389-K392 PolarHBondContact OE1-NZ 2.72Å; E389-K392 VanDerWaalsContact OE2-CE 3.25Å; E389-K392 WeakPolarHBondContact OE2-CE 3.29Å; E389-K392 IonicContact OE2-NZ 3.57Å; E389-K392 PolarHBondContact OE2-NZ 2.7Å; E389-I393 WeakPolarHBondContact O-CG1 3.36Å; E389-I393 PolarHBondContact O-N 2.94Å
390	E	91.2	Very high	94.9	Very high	131 Å²	131	45.1 Å²	45.1	61%	0.612	24%	0.239	S	C	*	.	H	α-helix	trans	-53.7	-42.5	-174.7	-170.1	-171.8	160.1	0	0	113.5	K392 I393 K394	E390-K392 PolarHBondContact O-N 2.76Å; E390-I393 PolarHBondContact O-N 2.78Å; E390-K394 WeakPolarHBondContact O-CG 3.37Å; E390-K394 PolarHBondContact O-N 3.44Å; E390-K394 WeakPolarHBondContact OE1-CE 3.48Å; E390-K394 IonicContact OE1-NZ 2.7Å; E390-K394 PolarHBondContact OE1-NZ 3.04Å
391	S	92.9	Very high	94.6	Very high	76 Å²	76	46.9 Å²	46.9	53%	0.531	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-41.9	179.4	57.7	0	0	0	0	112.3	E389 T395	E389-S391 VanDerWaalsContact C-N 3.3Å; E389-S391 PolarHBondContact O-N 3.21Å; S391-T395 PolarHBondContact O-N 3.25Å; S391-T395 VanDerWaalsContact O-N 3.11Å; S391-T395 PolarHBondContact O-OG1 3.15Å; S391-T395 VanDerWaalsContact O-OG1 3.11Å
392	K	94.1	Very high	94.4	Very high	102 Å²	102	50.5 Å²	50.5	44%	0.443	26%	0.26	S	S	.	.	H	α-helix	trans	-72.3	-38.1	177.3	-68.8	175.3	-178.2	148.7	0	111.6	A387 E389 E390 K394 T395 L396	A387-K392 HydrophobicContact CB-CB 3.58Å; E389-K392 HydrophobicContact CB-CD 4.39Å; E389-K392 PolarHBondContact O-N 2.69Å; E389-K392 IonicContact OE1-NZ 3.43Å; E389-K392 PolarHBondContact OE1-NZ 2.72Å; E389-K392 VanDerWaalsContact OE2-CE 3.25Å; E389-K392 WeakPolarHBondContact OE2-CE 3.29Å; E389-K392 IonicContact OE2-NZ 3.57Å; E389-K392 PolarHBondContact OE2-NZ 2.7Å; E390-K392 PolarHBondContact O-N 2.76Å; K392-K394 VanDerWaalsContact C-N 3.34Å; K392-K394 PolarHBondContact O-N 2.91Å; K392-T395 WeakPolarHBondContact O-CB 3.41Å; K392-T395 PolarHBondContact O-N 3.48Å; K392-L396 WeakPolarHBondContact O-CG 3.42Å; K392-L396 PolarHBondContact O-N 2.94Å
393	I	94.9	Very high	94.5	Very high	22 Å²	22	49.9 Å²	49.9	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-55.9	-50	172.6	-76.8	174	0	0	0	110	V293 V295 A387 E389 E390 T395 L396 W397	V293-I393 HydrophobicContact CG1-CD1 4.28Å; V295-I393 HydrophobicContact CB-CG1 4.19Å; V295-I393 HydrophobicContact CG2-CB 4.32Å; V295-I393 HydrophobicContact CG2-CG1 4.02Å; V295-I393 HydrophobicContact CG2-CG2 3.81Å; A387-I393 HydrophobicContact CB-CG1 4Å; E389-I393 WeakPolarHBondContact O-CG1 3.36Å; E389-I393 PolarHBondContact O-N 2.94Å; E390-I393 PolarHBondContact O-N 2.78Å; I393-T395 VanDerWaalsContact C-N 3.32Å; I393-T395 PolarHBondContact O-N 3.08Å; I393-L396 PolarHBondContact O-N 2.93Å; I393-W397 WeakPolarHBondContact O-CB 3.21Å; I393-W397 PolarHBondContact O-N 2.55Å
394	K	92.4	Very high	94.2	Very high	124 Å²	124	50.9 Å²	50.9	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-59	-42.4	176.1	-73.4	176.3	-176	172.2	0	111.9	E390 K392 W397 S398	E390-K394 WeakPolarHBondContact O-CG 3.37Å; E390-K394 PolarHBondContact O-N 3.44Å; E390-K394 WeakPolarHBondContact OE1-CE 3.48Å; E390-K394 IonicContact OE1-NZ 2.7Å; E390-K394 PolarHBondContact OE1-NZ 3.04Å; K392-K394 VanDerWaalsContact C-N 3.34Å; K392-K394 PolarHBondContact O-N 2.91Å; K394-W397 PolarHBondContact O-N 2.85Å; K394-S398 WeakPolarHBondContact O-CB 3.43Å; K394-S398 PolarHBondContact O-N 3.47Å
395	T	93.6	Very high	94	Very high	79 Å²	79	54.1 Å²	54.1	49%	0.485	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-46.4	176	-61.2	0	0	0	0	112.1	S391 K392 I393 S398	S391-T395 PolarHBondContact O-N 3.25Å; S391-T395 VanDerWaalsContact O-N 3.11Å; S391-T395 PolarHBondContact O-OG1 3.15Å; S391-T395 VanDerWaalsContact O-OG1 3.11Å; K392-T395 WeakPolarHBondContact O-CB 3.41Å; K392-T395 PolarHBondContact O-N 3.48Å; I393-T395 VanDerWaalsContact C-N 3.32Å; I393-T395 PolarHBondContact O-N 3.08Å; T395-S398 WeakPolarHBondContact O-CB 3.46Å; T395-S398 PolarHBondContact O-N 3.3Å; T395-S398 PolarHBondContact O-OG 2.86Å
396	L	95.6	Very high	94	Very high	9 Å²	9	51.9 Å²	51.9	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-43.6	179	-66.1	-174.1	0	0	0	111.8	V295 F297 P344 T385 A387 K392 I393 S398 M399	V295-L396 HydrophobicContact CB-CD1 4.38Å; V295-L396 HydrophobicContact CG1-CB 3.78Å; V295-L396 HydrophobicContact CG1-CD1 3.9Å; F297-L396 HydrophobicContact CB-CD1 4.19Å; F297-L396 HydrophobicContact CB-CD2 3.95Å; F297-L396 HydrophobicContact CG-CD2 4.42Å; P344-L396 HydrophobicContact CB-CD2 4.3Å; P344-L396 HydrophobicContact CG-CD2 4Å; T385-L396 HydrophobicContact CG2-CD1 4.36Å; T385-L396 HydrophobicContact CG2-CD2 3.97Å; A387-L396 HydrophobicContact CB-CD1 3.62Å; A387-L396 HydrophobicContact CB-CG 4.34Å; K392-L396 WeakPolarHBondContact O-CG 3.42Å; K392-L396 PolarHBondContact O-N 2.94Å; I393-L396 PolarHBondContact O-N 2.93Å; L396-S398 VanDerWaalsContact C-N 3.26Å; L396-S398 PolarHBondContact O-N 3.23Å; L396-M399 WeakPolarHBondContact O-CB 3.24Å; L396-M399 PolarHBondContact O-N 2.85Å
397	W	95.1	Very high	93.9	Very high	19 Å²	19	50.3 Å²	50.3	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-35.3	175.1	-91.8	123.7	0	0	0	112.8	L225 A323 E325 V353 E355 I393 K394 M399 R400 E401	L225-W397 HydrophobicContact CB-CH2 4.32Å; L225-W397 HydrophobicContact CD1-CE3 4.48Å; L225-W397 HydrophobicContact CD1-CZ3 4.22Å; L225-W397 HydrophobicContact CD2-CH2 4.38Å; L225-W397 HydrophobicContact CD2-CZ3 3.9Å; L225-W397 HydrophobicContact CG-CZ3 4.47Å; A323-W397 HydrophobicContact CB-CH2 3.59Å; A323-W397 HydrophobicContact CB-CZ2 3.78Å; E325-W397 HydrophobicContact CG-CH2 3.98Å; E325-W397 HydrophobicContact CG-CZ3 3.88Å; V353-W397 HydrophobicContact CG1-CD2 4.42Å; V353-W397 HydrophobicContact CG1-CE3 4.31Å; V353-W397 HydrophobicContact CG1-CZ3 4.41Å; E355-W397 HydrophobicContact CB-CZ2 3.8Å; E355-W397 HydrophobicContact CG-CZ2 4.36Å; E355-W397 PolarHBondContact OE2-NE1 3.27Å; I393-W397 WeakPolarHBondContact O-CB 3.21Å; I393-W397 PolarHBondContact O-N 2.55Å; K394-W397 PolarHBondContact O-N 2.85Å; W397-M399 PolarHBondContact O-N 3.46Å; W397-M399 VanDerWaalsContact O-N 3.14Å; W397-R400 HydrophobicContact CE3-CB 4.3Å; W397-R400 HydrophobicContact CE3-CG 4.41Å; W397-R400 HydrophobicContact CZ3-CB 4.46Å; W397-R400 HydrophobicContact CZ3-CG 4.13Å; W397-R400 PolarHBondContact O-N 2.82Å; W397-E401 HydrophobicContact CE3-CG 4.47Å; W397-E401 PolarHBondContact O-N 2.99Å
398	S	93.1	Very high	93.7	Very high	20 Å²	20	53.9 Å²	53.9	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-27.9	178.1	81.3	0	0	0	0	113.2	K394 T395 L396 R400 R402	K394-S398 WeakPolarHBondContact O-CB 3.43Å; K394-S398 PolarHBondContact O-N 3.47Å; T395-S398 WeakPolarHBondContact O-CB 3.46Å; T395-S398 PolarHBondContact O-N 3.3Å; T395-S398 PolarHBondContact O-OG 2.86Å; L396-S398 VanDerWaalsContact C-N 3.26Å; L396-S398 PolarHBondContact O-N 3.23Å; S398-R400 PolarHBondContact O-N 3.43Å; S398-R402 VanDerWaalsContact O-CB 3.29Å; S398-R402 WeakPolarHBondContact O-CB 3.28Å; S398-R402 WeakPolarHBondContact O-CG 3.34Å; S398-R402 PolarHBondContact O-N 2.95Å; S398-R402 VanDerWaalsContact O-N 3.1Å
399	M	94.4	Very high	93.8	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-33.2	174.8	-60.5	-62.3	169.1	0	0	111.8	F297 L335 L341 A342 L396 W397 V403	F297-M399 HydrophobicContact CE2-CB 3.88Å; F297-M399 HydrophobicContact CE2-CG 4.23Å; L335-M399 WeakPolarHBondContact CD1-O 3.28Å; L341-M399 HydrophobicContact CB-CE 4.13Å; L341-M399 HydrophobicContact CB-SD 4.04Å; A342-M399 WeakPolarHBondContact O-CE 3.3Å; L396-M399 WeakPolarHBondContact O-CB 3.24Å; L396-M399 PolarHBondContact O-N 2.85Å; W397-M399 PolarHBondContact O-N 3.46Å; W397-M399 VanDerWaalsContact O-N 3.14Å; M399-V403 WeakPolarHBondContact O-CG2 3.34Å
400	R	94.8	Very high	93.9	Very high	13 Å²	13	50.5 Å²	50.5	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-91.3	-42.3	179.1	170.1	58.4	-173.5	80.4	5.9	112.4	E325 V353 W397 S398 H448	E325-R400 HydrophobicContact CB-CG 3.94Å; E325-R400 HydrophobicContact CG-CG 4.06Å; E325-R400 IonicContact OE2-CZ 3.69Å; E325-R400 VanDerWaalsContact OE2-CZ 3.25Å; E325-R400 IonicContact OE2-NE 3.69Å; E325-R400 PolarHBondContact OE2-NE 3.44Å; E325-R400 IonicContact OE2-NH2 3.91Å; E325-R400 PolarHBondContact OE2-NH2 2.85Å; V353-R400 HydrophobicContact CG2-CB 4.02Å; W397-R400 HydrophobicContact CE3-CB 4.3Å; W397-R400 HydrophobicContact CE3-CG 4.41Å; W397-R400 HydrophobicContact CZ3-CB 4.46Å; W397-R400 HydrophobicContact CZ3-CG 4.13Å; W397-R400 PolarHBondContact O-N 2.82Å; S398-R400 PolarHBondContact O-N 3.43Å; R400-H448 PolarHBondContact NH2-CE1 3.47Å; R400-H448 PolarHBondContact NH2-NE2 2.8Å
401	E	92.2	Very high	94.1	Very high	61 Å²	61	45.2 Å²	45.2	29%	0.285	24%	0.235	S	C	.	.	H	α-helix	trans	-70.2	-35.8	-175	-69.5	-174.9	131.7	0	0	112.4	K209 L225 W397 V403 T404	K209-E401 IonicContact NZ-OE1 2.89Å; L225-E401 HydrophobicContact CD1-CG 4.1Å; L225-E401 WeakPolarHBondContact CD1-OE1 3.37Å; W397-E401 HydrophobicContact CE3-CG 4.47Å; W397-E401 PolarHBondContact O-N 2.99Å; E401-V403 PolarHBondContact O-N 3.43Å; E401-T404 PolarHBondContact O-OG1 3.26Å
402	R	93.6	Very high	94.2	Very high	78 Å²	78	45 Å²	45	29%	0.294	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.4	-173.4	-57.9	-175.6	66.2	-164.6	0.2	114.7	L335 L339 L341 S398 T404 E405 A406	L335-R402 HydrophobicContact CD2-CB 4.24Å; L339-R402 HydrophobicContact CD1-CB 3.69Å; L339-R402 WeakPolarHBondContact CD1-O 3.46Å; L341-R402 HydrophobicContact CD1-CB 4.41Å; S398-R402 VanDerWaalsContact O-CB 3.29Å; S398-R402 WeakPolarHBondContact O-CB 3.28Å; S398-R402 WeakPolarHBondContact O-CG 3.34Å; S398-R402 PolarHBondContact O-N 2.95Å; S398-R402 VanDerWaalsContact O-N 3.1Å; R402-T404 PolarHBondContact O-N 2.86Å; R402-E405 IonicContact CZ-OE1 2.77Å; R402-E405 IonicContact CZ-OE2 3.6Å; R402-E405 IonicContact NE-OE1 3.78Å; R402-E405 IonicContact NE-OE2 3.4Å; R402-E405 PolarHBondContact NE-OE2 3Å; R402-E405 VanDerWaalsContact NH2-CD 3.3Å; R402-E405 IonicContact NH2-OE1 3.37Å; R402-E405 PolarHBondContact NH2-OE1 2.89Å; R402-E405 IonicContact NH2-OE2 3.55Å; R402-E405 PolarHBondContact NH2-OE2 2.75Å; R402-E405 VanDerWaalsContact NH2-OE2 3.1Å; R402-E405 WeakPolarHBondContact O-CB 3.5Å; R402-E405 PolarHBondContact O-N 2.85Å; R402-A406 PolarHBondContact O-N 3.01Å
403	V	95.8	Very high	94.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-40	173.8	177.2	0	0	0	0	110.9	L327 C331 L335 M399 E401 E405 A406 L407 Y446	L327-V403 HydrophobicContact CD1-CG2 4.28Å; C331-V403 HydrophobicContact CB-CG1 4.17Å; C331-V403 HydrophobicContact CB-CG2 4.32Å; L335-V403 HydrophobicContact CD1-CG2 4.15Å; L335-V403 HydrophobicContact CD2-CG2 4.29Å; L335-V403 HydrophobicContact CG-CG2 4.46Å; M399-V403 WeakPolarHBondContact O-CG2 3.34Å; E401-V403 PolarHBondContact O-N 3.43Å; V403-E405 VanDerWaalsContact C-N 3.34Å; V403-E405 PolarHBondContact O-N 2.9Å; V403-A406 PolarHBondContact O-N 3.31Å; V403-L407 HydrophobicContact CG1-CD1 4.08Å; V403-L407 VanDerWaalsContact O-CG 3.3Å; V403-L407 WeakPolarHBondContact O-CG 3.16Å; V403-L407 PolarHBondContact O-N 2.9Å; V403-Y446 HydrophobicContact CB-CD2 4.34Å; V403-Y446 HydrophobicContact CB-CE1 4.44Å; V403-Y446 HydrophobicContact CB-CE2 4.17Å; V403-Y446 HydrophobicContact CG1-CD1 3.62Å; V403-Y446 HydrophobicContact CG1-CD2 4.2Å; V403-Y446 HydrophobicContact CG1-CE1 3.48Å; V403-Y446 VanDerWaalsContact CG1-CE1 3.48Å; V403-Y446 HydrophobicContact CG1-CE2 4.07Å; V403-Y446 HydrophobicContact CG1-CG 3.98Å
404	T	92.1	Very high	94.2	Very high	53 Å²	53	40.7 Å²	40.7	33%	0.325	21%	0.206	S	C	.	.	H	α-helix	trans	-62.9	-38.9	178.4	51.6	0	0	0	0	112.6	E401 R402 T408 Y446	E401-T404 PolarHBondContact O-OG1 3.26Å; R402-T404 PolarHBondContact O-N 2.86Å; T404-T408 PolarHBondContact O-N 2.78Å; T404-T408 PolarHBondContact O-OG1 2.68Å; T404-Y446 VanDerWaalsContact CG2-OH 3.24Å; T404-Y446 WeakPolarHBondContact CG2-OH 3.43Å
405	E	92.3	Very high	94.3	Very high	73 Å²	73	36.7 Å²	36.7	34%	0.341	19%	0.189	S	C	.	.	H	α-helix	trans	-67.4	-47.3	175.1	-174.1	-169.6	160.8	0	0	111	L339 R402 V403 L407 T408 H409	L339-E405 HydrophobicContact CD1-CB 4.29Å; L339-E405 HydrophobicContact CD1-CG 4.36Å; L339-E405 HydrophobicContact CD2-CG 4.08Å; R402-E405 IonicContact CZ-OE1 2.77Å; R402-E405 IonicContact CZ-OE2 3.6Å; R402-E405 IonicContact NE-OE1 3.78Å; R402-E405 IonicContact NE-OE2 3.4Å; R402-E405 PolarHBondContact NE-OE2 3Å; R402-E405 VanDerWaalsContact NH2-CD 3.3Å; R402-E405 IonicContact NH2-OE1 3.37Å; R402-E405 PolarHBondContact NH2-OE1 2.89Å; R402-E405 IonicContact NH2-OE2 3.55Å; R402-E405 PolarHBondContact NH2-OE2 2.75Å; R402-E405 VanDerWaalsContact NH2-OE2 3.1Å; R402-E405 WeakPolarHBondContact O-CB 3.5Å; R402-E405 PolarHBondContact O-N 2.85Å; V403-E405 VanDerWaalsContact C-N 3.34Å; V403-E405 PolarHBondContact O-N 2.9Å; E405-L407 VanDerWaalsContact C-N 3.26Å; E405-L407 PolarHBondContact O-N 3.31Å; E405-T408 WeakPolarHBondContact O-CB 3.5Å; E405-T408 PolarHBondContact O-N 2.88Å; E405-T408 VanDerWaalsContact O-N 3.1Å; E405-H409 PolarHBondContact O-CD2 3Å; E405-H409 VanDerWaalsContact O-CD2 3.25Å; E405-H409 PolarHBondContact O-N 2.91Å
406	A	95.9	Very high	94.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-37.7	177.9	0	0	0	0	0	112.5	L334 L335 H338 L339 R402 V403 H409 D410	L334-A406 HydrophobicContact CB-CB 4.17Å; L335-A406 HydrophobicContact CD2-CB 4.09Å; H338-A406 PolarHBondContact CD2-O 2.93Å; L339-A406 HydrophobicContact CD1-CB 3.91Å; L339-A406 HydrophobicContact CG-CB 4.06Å; R402-A406 PolarHBondContact O-N 3.01Å; V403-A406 PolarHBondContact O-N 3.31Å; A406-H409 PolarHBondContact O-N 3.47Å; A406-D410 PolarHBondContact O-N 3.3Å
407	L	95.7	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-41.4	175.2	-74.6	163.9	0	0	0	112.5	L334 V403 E405 H409 D410 G411 T413 V444 Y446 N457 T459	L334-L407 HydrophobicContact CD1-CD2 3.62Å; L334-L407 HydrophobicContact CD1-CG 4.32Å; V403-L407 HydrophobicContact CG1-CD1 4.08Å; V403-L407 VanDerWaalsContact O-CG 3.3Å; V403-L407 WeakPolarHBondContact O-CG 3.16Å; V403-L407 PolarHBondContact O-N 2.9Å; E405-L407 VanDerWaalsContact C-N 3.26Å; E405-L407 PolarHBondContact O-N 3.31Å; L407-H409 PolarHBondContact O-N 3.01Å; L407-D410 PolarHBondContact O-N 2.81Å; L407-G411 PolarHBondContact O-N 2.97Å; L407-T413 HydrophobicContact CB-CG2 4.19Å; L407-T413 PolarHBondContact O-OG1 3.06Å; L407-V444 HydrophobicContact CD1-CG2 4.17Å; L407-V444 HydrophobicContact CD2-CG2 3.8Å; L407-Y446 HydrophobicContact CD1-CE1 3.94Å; L407-N457 HydrophobicContact CD1-CB 3.66Å; L407-N457 HydrophobicContact CD2-CB 4.14Å; L407-T459 HydrophobicContact CD2-CG2 3.59Å
408	T	91.6	Very high	94.5	Very high	78 Å²	78	32 Å²	32	48%	0.479	16%	0.162	S	C	.	.	H	α-helix	trans	-62.2	-33.6	176.9	-59.4	0	0	0	0	112	T404 E405	T404-T408 PolarHBondContact O-N 2.78Å; T404-T408 PolarHBondContact O-OG1 2.68Å; E405-T408 WeakPolarHBondContact O-CB 3.5Å; E405-T408 PolarHBondContact O-N 2.88Å; E405-T408 VanDerWaalsContact O-N 3.1Å
409	H	94.9	Very high	94.7	Very high	112 Å²	112	32.8 Å²	32.8	52%	0.519	17%	0.167	S	C	.	.	H	α-helix	trans	-75.7	-22.4	174.5	-71.9	-64.7	0	0	0	113.8	H338 E405 A406 L407	H338-H409 HydrophobicContact CB-CB 3.79Å; E405-H409 PolarHBondContact O-CD2 3Å; E405-H409 VanDerWaalsContact O-CD2 3.25Å; E405-H409 PolarHBondContact O-N 2.91Å; A406-H409 PolarHBondContact O-N 3.47Å; L407-H409 PolarHBondContact O-N 3.01Å
410	D	96.5	Very high	94.7	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-78	-24.3	178.9	-163.7	58.9	0	0	0	113.4	L334 H338 A406 L407 R441 T459	L334-D410 HydrophobicContact CD2-CB 3.9Å; H338-D410 IonicContact CE1-OD1 2.71Å; H338-D410 WeakPolarHBondContact NE2-CA 3.36Å; H338-D410 WeakPolarHBondContact NE2-CB 3.49Å; H338-D410 IonicContact NE2-OD1 3.42Å; H338-D410 PolarHBondContact NE2-OD1 2.86Å; A406-D410 PolarHBondContact O-N 3.3Å; L407-D410 PolarHBondContact O-N 2.81Å; D410-R441 WeakPolarHBondContact O-CD 3.46Å; D410-R441 PolarHBondContact O-NE 2.83Å; D410-R441 IonicContact OD1-CZ 3.32Å; D410-R441 VanDerWaalsContact OD1-CZ 3.3Å; D410-R441 IonicContact OD1-NE 3.49Å; D410-R441 PolarHBondContact OD1-NE 2.89Å; D410-R441 IonicContact OD1-NH2 3.39Å; D410-R441 PolarHBondContact OD1-NH2 3.09Å; D410-R441 VanDerWaalsContact OD2-CD 3.31Å; D410-R441 WeakPolarHBondContact OD2-CD 3.46Å; D410-R441 IonicContact OD2-NE 2.8Å; D410-R441 PolarHBondContact OD2-NE 3.39Å; D410-R441 VanDerWaalsContact OD2-NE 3.15Å; D410-T459 HydrophobicContact CB-CG2 4.26Å; D410-T459 WeakPolarHBondContact OD2-CB 3.48Å; D410-T459 PolarHBondContact OD2-OG1 3.41Å
411	G	94.6	Very high	94.7	Very high	21 Å²	21	34.5 Å²	34.5	22%	0.216	18%	0.18	C	C	.	.	S	Bend	trans	152.5	-158.8	173.4	0	0	0	0	0	113.5	L407 T413 S460	L407-G411 PolarHBondContact O-N 2.97Å; G411-T413 PolarHBondContact O-N 2.88Å; G411-T413 PolarHBondContact O-OG1 3.11Å; G411-S460 CarbonylContact C-O 3.33Å; G411-S460 WeakPolarHBondContact CA-O 3.37Å
412	F	94.1	Very high	94.8	Very high	72 Å²	72	33.8 Å²	33.8	32%	0.316	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	126.3	170.6	-172.5	-88.5	0	0	0	109.5	Y414 T459 S460 K463	F412-Y414 HydrophobicContact CD1-CD1 4.31Å; F412-Y414 HydrophobicContact CD1-CD2 4.34Å; F412-Y414 AromaticContact CD1-CE1 3.88Å; F412-Y414 HydrophobicContact CD1-CE1 3.88Å; F412-Y414 AromaticContact CD1-CE2 3.89Å; F412-Y414 HydrophobicContact CD1-CE2 3.89Å; F412-Y414 AromaticContact CD1-CZ 3.62Å; F412-Y414 AromaticContact CE1-CD1 3.81Å; F412-Y414 HydrophobicContact CE1-CD1 3.81Å; F412-Y414 AromaticContact CE1-CE1 3.52Å; F412-Y414 HydrophobicContact CE1-CE1 3.52Å; F412-Y414 HydrophobicContact CE1-CE2 4.34Å; F412-Y414 HydrophobicContact CE1-CG 4.33Å; F412-Y414 AromaticContact CE1-CZ 3.8Å; F412-T459 CarbonylContact O-C 3.48Å; F412-T459 VanDerWaalsContact O-CA 3.31Å; F412-T459 WeakPolarHBondContact O-CA 3.5Å; F412-S460 PolarHBondContact N-O 3.23Å; F412-S460 PolarHBondContact O-N 2.87Å; F412-K463 HydrophobicContact CD1-CB 4.15Å; F412-K463 HydrophobicContact CD1-CG 4.36Å; F412-K463 HydrophobicContact CD2-CB 3.8Å; F412-K463 HydrophobicContact CD2-CG 4.45Å; F412-K463 HydrophobicContact CE1-CB 4.2Å; F412-K463 HydrophobicContact CE1-CG 3.95Å; F412-K463 HydrophobicContact CE2-CB 3.85Å; F412-K463 HydrophobicContact CE2-CD 4.04Å; F412-K463 HydrophobicContact CE2-CG 4.04Å; F412-K463 HydrophobicContact CG-CB 3.96Å; F412-K463 HydrophobicContact CZ-CB 4.05Å; F412-K463 HydrophobicContact CZ-CD 3.89Å; F412-K463 HydrophobicContact CZ-CG 3.78Å
413	T	94.6	Very high	94.7	Very high	22 Å²	22	35.8 Å²	35.8	14%	0.135	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.5	-175.1	-52.1	0	0	0	0	111.3	L407 G411 K415 N457 V458 T459	L407-T413 HydrophobicContact CB-CG2 4.19Å; L407-T413 PolarHBondContact O-OG1 3.06Å; G411-T413 PolarHBondContact O-N 2.88Å; G411-T413 PolarHBondContact O-OG1 3.11Å; T413-K415 HydrophobicContact CG2-CG 3.79Å; T413-N457 HydrophobicContact CG2-CB 4.01Å; T413-N457 WeakPolarHBondContact CG2-OD1 3.49Å; T413-V458 CarbonylContact C-O 3.49Å; T413-V458 WeakPolarHBondContact CA-O 3.34Å; T413-T459 HydrophobicContact CG2-CG2 4.34Å
414	Y	95.1	Very high	94.5	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.039	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	115.5	165	-48.3	-90.9	0	0	0	108.3	F412 N457 V458 S460 D464 L467 L468 I471	F412-Y414 HydrophobicContact CD1-CD1 4.31Å; F412-Y414 HydrophobicContact CD1-CD2 4.34Å; F412-Y414 AromaticContact CD1-CE1 3.88Å; F412-Y414 HydrophobicContact CD1-CE1 3.88Å; F412-Y414 AromaticContact CD1-CE2 3.89Å; F412-Y414 HydrophobicContact CD1-CE2 3.89Å; F412-Y414 AromaticContact CD1-CZ 3.62Å; F412-Y414 AromaticContact CE1-CD1 3.81Å; F412-Y414 HydrophobicContact CE1-CD1 3.81Å; F412-Y414 AromaticContact CE1-CE1 3.52Å; F412-Y414 HydrophobicContact CE1-CE1 3.52Å; F412-Y414 HydrophobicContact CE1-CE2 4.34Å; F412-Y414 HydrophobicContact CE1-CG 4.33Å; F412-Y414 AromaticContact CE1-CZ 3.8Å; Y414-N457 WeakPolarHBondContact O-CA 3.38Å; Y414-V458 HydrophobicContact CD2-CB 4.1Å; Y414-V458 HydrophobicContact CD2-CG1 4.23Å; Y414-V458 WeakPolarHBondContact CD2-O 3.47Å; Y414-V458 PolarHBondContact N-O 3.28Å; Y414-V458 PolarHBondContact O-N 2.91Å; Y414-S460 VanDerWaalsContact CE2-OG 3.3Å; Y414-S460 WeakPolarHBondContact CE2-OG 3.42Å; Y414-S460 PolarHBondContact OH-OG 3.48Å; Y414-D464 PolarHBondContact OH-N 2.87Å; Y414-D464 PolarHBondContact OH-O 2.77Å; Y414-L467 HydrophobicContact CD2-CD2 4.37Å; Y414-L467 HydrophobicContact CE2-CD2 3.61Å; Y414-L467 HydrophobicContact CE2-CG 4.12Å; Y414-L468 HydrophobicContact CD1-CB 4.45Å; Y414-L468 HydrophobicContact CD1-CD1 3.94Å; Y414-L468 HydrophobicContact CE1-CB 3.94Å; Y414-L468 HydrophobicContact CE1-CD1 4.25Å; Y414-I471 HydrophobicContact CD1-CD1 4.29Å; Y414-I471 HydrophobicContact CD2-CD1 3.89Å; Y414-I471 HydrophobicContact CE2-CD1 4.49Å; Y414-I471 HydrophobicContact CG-CD1 3.8Å
415	K	94.2	Very high	94.5	Very high	41 Å²	41	38.1 Å²	38.1	18%	0.178	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.8	-172.9	-55.1	-167.1	175.4	-76.3	0	110.9	L107 T413 N457	L107-K415 HydrophobicContact CD1-CD 4.37Å; L107-K415 HydrophobicContact CD2-CD 4.03Å; T413-K415 HydrophobicContact CG2-CG 3.79Å; K415-N457 VanDerWaalsContact CG-OD1 3.3Å; K415-N457 WeakPolarHBondContact CG-OD1 3.45Å
416	Y	96.4	Very high	94.7	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.1	173.6	-55.2	-90.4	0	0	0	109.6	H455 L456 I471 E472 I475 Y476	Y416-H455 CarbonylContact O-C 3.56Å; Y416-H455 WeakPolarHBondContact O-CA 3.18Å; Y416-L456 HydrophobicContact CD2-CD2 4.12Å; Y416-L456 PolarHBondContact N-O 2.79Å; Y416-L456 PolarHBondContact O-N 3.35Å; Y416-I471 HydrophobicContact CD2-CG2 4.39Å; Y416-I471 HydrophobicContact CE1-CG2 4.28Å; Y416-I471 HydrophobicContact CE2-CG2 3.45Å; Y416-I471 VanDerWaalsContact CE2-CG2 3.45Å; Y416-I471 WeakPolarHBondContact OH-CG2 3.36Å; Y416-E472 HydrophobicContact CE1-CG 4.06Å; Y416-E472 WeakPolarHBondContact CE1-OE1 3.38Å; Y416-E472 WeakPolarHBondContact OH-CG 3.45Å; Y416-E472 PolarHBondContact OH-OE1 3.21Å; Y416-I475 HydrophobicContact CD1-CD1 3.48Å; Y416-I475 VanDerWaalsContact CD1-CD1 3.48Å; Y416-I475 HydrophobicContact CD1-CG2 3.93Å; Y416-I475 HydrophobicContact CD2-CD1 3.71Å; Y416-I475 HydrophobicContact CE1-CD1 4.2Å; Y416-I475 HydrophobicContact CE1-CG2 3.78Å; Y416-I475 HydrophobicContact CE2-CD1 4.4Å; Y416-I475 HydrophobicContact CG-CD1 3.19Å; Y416-Y476 HydrophobicContact CD1-CE1 4.27Å; Y416-Y476 HydrophobicContact CE1-CE1 4.44Å
417	D	95.4	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	110.6	-174.3	162.7	61.3	0	0	0	105.1	N453 L454 H455 I486 S487 A488 E489 H490	D417-N453 PolarHBondContact OD1-ND2 2.89Å; D417-N453 PolarHBondContact OD1-OD1 2.74Å; D417-L454 WeakPolarHBondContact CA-O 3.35Å; D417-H455 IonicContact OD1-CE1 3.15Å; D417-H455 PolarHBondContact OD1-CE1 3.39Å; D417-H455 IonicContact OD1-ND1 3.84Å; D417-I486 CarbonylContact O-C 3.54Å; D417-I486 VanDerWaalsContact O-O 3.09Å; D417-S487 WeakPolarHBondContact O-CA 3.41Å; D417-S487 PolarHBondContact O-N 2.8Å; D417-A488 PolarHBondContact O-N 3.17Å; D417-A488 PolarHBondContact OD2-N 3.39Å; D417-A488 VanDerWaalsContact OD2-N 3.1Å; D417-E489 PolarHBondContact OD2-N 2.9Å; D417-H490 VanDerWaalsContact CB-CE1 3.48Å; D417-H490 WeakPolarHBondContact CB-CE1 3.35Å; D417-H490 WeakPolarHBondContact CB-ND1 3.44Å; D417-H490 IonicContact OD2-CG 3.22Å; D417-H490 PolarHBondContact OD2-N 3.13Å; D417-H490 IonicContact OD2-ND1 2.86Å
418	I	96.4	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.8	-165.9	65.2	175.2	0	0	0	111.3	L420 L428 N453 L454 S485	I418-L420 HydrophobicContact CD1-CD1 3.6Å; I418-L420 HydrophobicContact CD1-CG 4Å; I418-L420 HydrophobicContact CG1-CD1 4.25Å; I418-L420 HydrophobicContact CG1-CG 4.3Å; I418-L428 HydrophobicContact CD1-CD2 3.06Å; I418-N453 WeakPolarHBondContact O-CA 3.45Å; I418-N453 PolarHBondContact O-OD1 3.07Å; I418-N453 VanDerWaalsContact O-OD1 3.05Å; I418-L454 HydrophobicContact CD1-CB 4.42Å; I418-L454 HydrophobicContact CD1-CD2 3.89Å; I418-L454 HydrophobicContact CG1-CB 3.83Å; I418-L454 HydrophobicContact CG1-CD2 4.18Å; I418-L454 HydrophobicContact CG1-CG 4.45Å; I418-L454 PolarHBondContact N-O 2.72Å; I418-L454 PolarHBondContact O-N 2.69Å; I418-S485 CarbonylContact C-O 3.53Å; I418-S485 WeakPolarHBondContact CA-O 3.36Å; I418-S485 VanDerWaalsContact CB-O 3.28Å; I418-S485 WeakPolarHBondContact CB-O 3.07Å
419	S	97.2	Very high	95.1	Very high	36 Å²	36	35.2 Å²	35.2	25%	0.252	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.8	170.4	-50	0	0	0	0	109.9	G452 G484 S485 A488	S419-G452 CarbonylContact C-O 3.42Å; S419-G452 VanDerWaalsContact CA-O 3.29Å; S419-G452 WeakPolarHBondContact CA-O 3.35Å; S419-G484 CarbonylContact O-C 3.44Å; S419-G484 WeakPolarHBondContact O-CA 3.36Å; S419-S485 PolarHBondContact N-O 3Å; S419-S485 PolarHBondContact O-N 3.26Å; S419-A488 WeakPolarHBondContact OG-CA 3.3Å; S419-A488 WeakPolarHBondContact OG-CB 3.49Å
420	L	96.2	Very high	95.3	Very high	11 Å²	11	33.2 Å²	33.2	6%	0.058	17%	0.171	C	C	.	.			trans	-136.3	159.1	178.7	-68.5	173.6	0	0	0	110.4	I418 V422 L428 G452 W478 T479	I418-L420 HydrophobicContact CD1-CD1 3.6Å; I418-L420 HydrophobicContact CD1-CG 4Å; I418-L420 HydrophobicContact CG1-CD1 4.25Å; I418-L420 HydrophobicContact CG1-CG 4.3Å; L420-V422 PolarHBondContact O-N 3.15Å; L420-L428 HydrophobicContact CD1-CB 4.33Å; L420-L428 HydrophobicContact CD1-CD2 4.38Å; L420-G452 PolarHBondContact N-O 2.91Å; L420-W478 HydrophobicContact CD1-CE3 4.35Å; L420-W478 HydrophobicContact CD1-CH2 4.11Å; L420-W478 HydrophobicContact CD1-CZ3 3.47Å; L420-W478 VanDerWaalsContact CD1-CZ3 3.47Å; L420-W478 HydrophobicContact CD2-CE3 4.22Å; L420-W478 HydrophobicContact CD2-CZ3 3.6Å; L420-W478 HydrophobicContact CG-CZ3 4.15Å; L420-T479 HydrophobicContact CD2-CG2 4.12Å
421	P	94.6	Very high	95.4	Very high	43 Å²	43	34.9 Å²	34.9	28%	0.279	18%	0.18	S	C	.	.			trans	-52.4	126.6	163.6	-23.1	33.5	0	0	0	109.9	E423 R424 I425	P421-E423 HydrophobicContact CB-CG 4.46Å; P421-E423 VanDerWaalsContact CB-OE1 3.32Å; P421-E423 WeakPolarHBondContact CB-OE1 3.32Å; P421-E423 PolarHBondContact O-N 2.83Å; P421-E423 VanDerWaalsContact O-N 3.12Å; P421-R424 PolarHBondContact O-N 3.12Å; P421-I425 PolarHBondContact O-N 2.63Å
422	V	92.8	Very high	95.5	Very high	45 Å²	45	33.9 Å²	33.9	27%	0.273	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-58	-32.9	-168.7	69.5	0	0	0	0	112.2	L307 L420 R424 I425 V449	L307-V422 HydrophobicContact CD2-CG2 3.78Å; L420-V422 PolarHBondContact O-N 3.15Å; V422-R424 PolarHBondContact O-N 2.94Å; V422-I425 VanDerWaalsContact O-CG2 3.23Å; V422-I425 WeakPolarHBondContact O-CG2 3.36Å; V422-I425 PolarHBondContact O-N 2.68Å; V422-V449 HydrophobicContact CG2-CG1 3.67Å; V422-V449 WeakPolarHBondContact CG2-O 3.2Å
423	E	93.1	Very high	95.7	Very high	121 Å²	121	34.1 Å²	34.1	57%	0.565	17%	0.168	S	C	*	.	G	3₁₀ helix	trans	-65.1	-15.9	177	65.5	-86.1	-164.5	0	0	114.4	P421	P421-E423 HydrophobicContact CB-CG 4.46Å; P421-E423 VanDerWaalsContact CB-OE1 3.32Å; P421-E423 WeakPolarHBondContact CB-OE1 3.32Å; P421-E423 PolarHBondContact O-N 2.83Å; P421-E423 VanDerWaalsContact O-N 3.12Å
424	R	90.9	Very high	95.9	Very high	103 Å²	103	40.6 Å²	40.6	39%	0.389	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-120.8	-0.8	-178.7	-71.3	-179.5	-169.1	-73.7	-4.7	113.8	P421 V422 Y426 Q427 F482	P421-R424 PolarHBondContact O-N 3.12Å; V422-R424 PolarHBondContact O-N 2.94Å; R424-Y426 PolarHBondContact O-N 2.87Å; R424-Y426 VanDerWaalsContact O-N 3.1Å; R424-Q427 VanDerWaalsContact NH1-OE1 3.14Å; R424-Q427 VanDerWaalsContact O-CB 3.26Å; R424-Q427 WeakPolarHBondContact O-CB 3.35Å; R424-Q427 PolarHBondContact O-N 2.9Å; R424-F482 VanDerWaalsContact CD-CD1 3.44Å
425	I	91.4	Very high	96	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-40.1	-169.8	-165.9	175.6	0	0	0	112.6	F303 P421 V422 L454	F303-I425 HydrophobicContact CE1-CG2 3.41Å; F303-I425 VanDerWaalsContact CE1-CG2 3.41Å; F303-I425 HydrophobicContact CE2-CG2 4.24Å; F303-I425 HydrophobicContact CZ-CG2 3.14Å; P421-I425 PolarHBondContact O-N 2.63Å; V422-I425 VanDerWaalsContact O-CG2 3.23Å; V422-I425 WeakPolarHBondContact O-CG2 3.36Å; V422-I425 PolarHBondContact O-N 2.68Å; I425-L454 HydrophobicContact CD1-CB 4.1Å; I425-L454 HydrophobicContact CG1-CB 3.68Å; I425-L454 HydrophobicContact CG1-CD1 4.34Å; I425-L454 HydrophobicContact CG1-CG 4.45Å; I425-L454 WeakPolarHBondContact O-CD2 3.24Å
426	Y	96.9	Very high	96.2	Very high	15 Å²	15	41.5 Å²	41.5	6%	0.059	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-12.5	179.5	-161.8	-102.9	0	0	0	114.7	F303 F326 D328 F350 R424 L428 V429 T430 R433	F303-Y426 HydrophobicContact CD2-CD1 4.34Å; F303-Y426 HydrophobicContact CD2-CD2 4.3Å; F303-Y426 AromaticContact CD2-CG 3.81Å; F303-Y426 HydrophobicContact CD2-CG 3.81Å; F303-Y426 HydrophobicContact CE2-CD2 4.37Å; F303-Y426 HydrophobicContact CE2-CG 4.15Å; F303-Y426 HydrophobicContact CG-CD1 4.45Å; F303-Y426 HydrophobicContact CG-CG 4.16Å; F326-Y426 AromaticContact CE2-CD2 3.71Å; F326-Y426 HydrophobicContact CE2-CD2 3.71Å; F326-Y426 HydrophobicContact CE2-CE2 4.11Å; F326-Y426 HydrophobicContact CZ-CD2 4.17Å; D328-Y426 HydrophobicContact CB-CE2 3.87Å; D328-Y426 WeakPolarHBondContact CB-OH 3.15Å; D328-Y426 PolarHBondContact OD2-OH 3.1Å; D328-Y426 VanDerWaalsContact OD2-OH 3.09Å; F350-Y426 AromaticContact CE1-CD1 3.57Å; F350-Y426 HydrophobicContact CE1-CD1 3.57Å; F350-Y426 AromaticContact CE1-CD2 3.92Å; F350-Y426 HydrophobicContact CE1-CD2 3.92Å; F350-Y426 AromaticContact CE1-CE1 3.29Å; F350-Y426 HydrophobicContact CE1-CE1 3.29Å; F350-Y426 AromaticContact CE1-CE2 3.68Å; F350-Y426 HydrophobicContact CE1-CE2 3.68Å; F350-Y426 AromaticContact CE1-CG 3.86Å; F350-Y426 HydrophobicContact CE1-CG 3.86Å; F350-Y426 AromaticContact CE1-CZ 3.32Å; F350-Y426 AromaticContact CZ-CD1 3.64Å; F350-Y426 HydrophobicContact CZ-CD1 3.64Å; F350-Y426 AromaticContact CZ-CE1 3.32Å; F350-Y426 HydrophobicContact CZ-CE1 3.32Å; F350-Y426 HydrophobicContact CZ-CG 4.35Å; F350-Y426 AromaticContact CZ-CZ 3.81Å; R424-Y426 PolarHBondContact O-N 2.87Å; R424-Y426 VanDerWaalsContact O-N 3.1Å; Y426-L428 PolarHBondContact O-N 2.93Å; Y426-V429 HydrophobicContact CD2-CB 4.01Å; Y426-V429 HydrophobicContact CD2-CG2 3.64Å; Y426-V429 HydrophobicContact CE1-CB 4.39Å; Y426-V429 HydrophobicContact CE2-CB 3.85Å; Y426-V429 HydrophobicContact CE2-CG1 3.86Å; Y426-V429 HydrophobicContact CE2-CG2 3.74Å; Y426-V429 HydrophobicContact CG-CB 4.36Å; Y426-V429 HydrophobicContact CG-CG2 4.28Å; Y426-V429 WeakPolarHBondContact O-CB 3.37Å; Y426-V429 PolarHBondContact O-N 3.17Å; Y426-T430 PolarHBondContact O-N 3.35Å; Y426-R433 PolarHBondContact OH-NH1 3.48Å
427	Q	97	Very high	96.1	Very high	75 Å²	75	43.4 Å²	43.4	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-59.1	-38.5	179.3	-172.7	178.5	-3.3	0	0	111.1	R424 V429 T430 D431 W478	R424-Q427 VanDerWaalsContact NH1-OE1 3.14Å; R424-Q427 VanDerWaalsContact O-CB 3.26Å; R424-Q427 WeakPolarHBondContact O-CB 3.35Å; R424-Q427 PolarHBondContact O-N 2.9Å; Q427-V429 VanDerWaalsContact C-N 3.28Å; Q427-V429 PolarHBondContact O-N 3.33Å; Q427-T430 PolarHBondContact O-N 3.44Å; Q427-D431 PolarHBondContact O-N 3.17Å; Q427-W478 HydrophobicContact CB-CH2 4.29Å; Q427-W478 HydrophobicContact CB-CZ2 3.95Å; Q427-W478 HydrophobicContact CG-CZ2 4.01Å
428	L	97.3	Very high	96.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-37.2	176.5	177.4	65.1	0	0	0	112.8	I418 L420 Y426 T430 D431 M432 L454 L456 F474 I475 W478	I418-L428 HydrophobicContact CD1-CD2 3.06Å; L420-L428 HydrophobicContact CD1-CB 4.33Å; L420-L428 HydrophobicContact CD1-CD2 4.38Å; Y426-L428 PolarHBondContact O-N 2.93Å; L428-T430 VanDerWaalsContact C-N 3.34Å; L428-D431 PolarHBondContact O-N 3.05Å; L428-M432 WeakPolarHBondContact O-CB 3.44Å; L428-M432 PolarHBondContact O-N 3.09Å; L428-L454 HydrophobicContact CB-CD2 4.47Å; L428-L454 HydrophobicContact CD2-CD2 4.15Å; L428-L456 HydrophobicContact CD2-CD1 4.26Å; L428-L456 HydrophobicContact CG-CD1 4.09Å; L428-F474 HydrophobicContact CD1-CE1 4.41Å; L428-I475 HydrophobicContact CD1-CG1 4.38Å; L428-I475 HydrophobicContact CD2-CD1 4.42Å; L428-I475 HydrophobicContact CD2-CG1 3.96Å; L428-W478 HydrophobicContact CB-CD2 4.09Å; L428-W478 HydrophobicContact CB-CE3 3.93Å; L428-W478 HydrophobicContact CB-CH2 3.84Å; L428-W478 HydrophobicContact CB-CZ2 3.94Å; L428-W478 HydrophobicContact CB-CZ3 3.83Å; L428-W478 HydrophobicContact CD1-CB 3.89Å; L428-W478 HydrophobicContact CD1-CD2 3.49Å; L428-W478 VanDerWaalsContact CD1-CD2 3.49Å; L428-W478 HydrophobicContact CD1-CE3 3.8Å; L428-W478 HydrophobicContact CD1-CG 3.51Å; L428-W478 HydrophobicContact CD2-CE3 4.29Å; L428-W478 HydrophobicContact CG-CD2 4.28Å; L428-W478 HydrophobicContact CG-CE3 4.21Å
429	V	98.2	Very high	96	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-45.2	179.4	-176.5	0	0	0	0	109.8	Y426 Q427 M432 R433 V443 L454 L456	Y426-V429 HydrophobicContact CD2-CB 4.01Å; Y426-V429 HydrophobicContact CD2-CG2 3.64Å; Y426-V429 HydrophobicContact CE1-CB 4.39Å; Y426-V429 HydrophobicContact CE2-CB 3.85Å; Y426-V429 HydrophobicContact CE2-CG1 3.86Å; Y426-V429 HydrophobicContact CE2-CG2 3.74Å; Y426-V429 HydrophobicContact CG-CB 4.36Å; Y426-V429 HydrophobicContact CG-CG2 4.28Å; Y426-V429 WeakPolarHBondContact O-CB 3.37Å; Y426-V429 PolarHBondContact O-N 3.17Å; Q427-V429 VanDerWaalsContact C-N 3.28Å; Q427-V429 PolarHBondContact O-N 3.33Å; V429-M432 PolarHBondContact O-N 3.01Å; V429-R433 WeakPolarHBondContact O-CG 3.45Å; V429-R433 PolarHBondContact O-N 2.95Å; V429-V443 HydrophobicContact CG1-CG1 4.41Å; V429-L454 HydrophobicContact CG2-CD1 4.07Å; V429-L454 HydrophobicContact CG2-CD2 4.05Å; V429-L456 HydrophobicContact CB-CD1 4.26Å; V429-L456 HydrophobicContact CG2-CD1 3.84Å
430	T	98.1	Very high	96	Very high	69 Å²	69	58.3 Å²	58.3	42%	0.423	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-47.9	177.1	-56.5	0	0	0	0	111.5	Y426 Q427 L428 M432 R433 Q434	Y426-T430 PolarHBondContact O-N 3.35Å; Q427-T430 PolarHBondContact O-N 3.44Å; L428-T430 VanDerWaalsContact C-N 3.34Å; T430-M432 VanDerWaalsContact C-N 3.32Å; T430-M432 PolarHBondContact O-N 3.45Å; T430-R433 WeakPolarHBondContact O-CB 3.37Å; T430-R433 PolarHBondContact O-N 3.18Å; T430-Q434 PolarHBondContact O-N 3.01Å
431	D	98.1	Very high	96	Very high	40 Å²	40	64.2 Å²	64.2	21%	0.214	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-38.6	179.4	-69	-6.4	0	0	0	111.1	Q427 L428 Q434 H435 F474 W478	Q427-D431 PolarHBondContact O-N 3.17Å; L428-D431 PolarHBondContact O-N 3.05Å; D431-Q434 PolarHBondContact O-N 2.79Å; D431-H435 WeakPolarHBondContact O-CB 3.4Å; D431-H435 PolarHBondContact O-N 2.8Å; D431-F474 HydrophobicContact CB-CZ 4.46Å; D431-W478 PolarHBondContact OD2-NE1 3.42Å
432	M	98.3	Very high	96.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-42.4	175.4	-175.8	63.8	73.5	0	0	111.9	L428 V429 T430 Q434 H435 L436 V443 L456 V458 I471 F474 I475	L428-M432 WeakPolarHBondContact O-CB 3.44Å; L428-M432 PolarHBondContact O-N 3.09Å; V429-M432 PolarHBondContact O-N 3.01Å; T430-M432 VanDerWaalsContact C-N 3.32Å; T430-M432 PolarHBondContact O-N 3.45Å; M432-Q434 VanDerWaalsContact C-N 3.34Å; M432-Q434 PolarHBondContact O-N 2.88Å; M432-H435 PolarHBondContact O-N 3.34Å; M432-L436 HydrophobicContact CG-CD1 3.81Å; M432-L436 HydrophobicContact CG-CG 4.21Å; M432-L436 WeakPolarHBondContact O-CB 3.31Å; M432-L436 WeakPolarHBondContact O-CG 3.46Å; M432-L436 PolarHBondContact O-N 2.99Å; M432-L436 HydrophobicContact SD-CD1 3.58Å; M432-L436 VanDerWaalsContact SD-CD1 3.58Å; M432-L436 HydrophobicContact SD-CD2 4.19Å; M432-L436 HydrophobicContact SD-CG 3.68Å; M432-V443 HydrophobicContact CB-CG1 4.11Å; M432-V443 HydrophobicContact CG-CG1 3.8Å; M432-L456 HydrophobicContact CB-CD1 4.35Å; M432-L456 HydrophobicContact CE-CD2 3.98Å; M432-L456 HydrophobicContact CG-CD2 4.36Å; M432-V458 HydrophobicContact CG-CG2 4.35Å; M432-I471 HydrophobicContact CE-CG2 3.88Å; M432-I471 HydrophobicContact SD-CG1 4.46Å; M432-I471 HydrophobicContact SD-CG2 4.46Å; M432-F474 HydrophobicContact CE-CD1 3.61Å; M432-F474 HydrophobicContact CE-CE1 3.9Å; M432-F474 HydrophobicContact SD-CD1 4.15Å; M432-F474 HydrophobicContact SD-CE1 4.25Å; M432-I475 HydrophobicContact CE-CB 3.9Å; M432-I475 HydrophobicContact CE-CG1 4.17Å
433	R	98.3	Very high	96.5	Very high	76 Å²	76	60.7 Å²	60.7	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-46.6	174	-79.1	172.7	177.9	149.8	2.9	111.3	D328 Y426 V429 T430 G437 V443	D328-R433 IonicContact OD2-CZ 2.83Å; D328-R433 IonicContact OD2-NH1 3.3Å; D328-R433 IonicContact OD2-NH2 3.57Å; D328-R433 PolarHBondContact OD2-NH2 3.09Å; Y426-R433 PolarHBondContact OH-NH1 3.48Å; V429-R433 WeakPolarHBondContact O-CG 3.45Å; V429-R433 PolarHBondContact O-N 2.95Å; T430-R433 WeakPolarHBondContact O-CB 3.37Å; T430-R433 PolarHBondContact O-N 3.18Å; R433-G437 PolarHBondContact O-N 3.1Å; R433-V443 HydrophobicContact CG-CB 3.65Å; R433-V443 HydrophobicContact CG-CG1 3.87Å; R433-V443 HydrophobicContact CG-CG2 4.24Å; R433-V443 VanDerWaalsContact CZ-O 3.28Å; R433-V443 PolarHBondContact NE-O 3.09Å; R433-V443 PolarHBondContact NH2-O 2.98Å
434	Q	98.1	Very high	96.7	Very high	158 Å²	158	55 Å²	55	74%	0.738	26%	0.257	S	S	*	.	H	α-helix	trans	-63.3	-46.4	177.4	-178.2	179	-2.5	0	0	111.5	T430 D431 M432	T430-Q434 PolarHBondContact O-N 3.01Å; D431-Q434 PolarHBondContact O-N 2.79Å; M432-Q434 VanDerWaalsContact C-N 3.34Å; M432-Q434 PolarHBondContact O-N 2.88Å
435	H	98	Very high	97.1	Very high	69 Å²	69	50 Å²	50	32%	0.319	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-51	-179.6	178.2	62.8	0	0	0	111.3	D431 M432 R439 S470 F474	D431-H435 WeakPolarHBondContact O-CB 3.4Å; D431-H435 PolarHBondContact O-N 2.8Å; M432-H435 PolarHBondContact O-N 3.34Å; H435-R439 PolarHBondContact O-NH2 2.92Å; H435-S470 PolarHBondContact CD2-O 2.94Å; H435-S470 PolarHBondContact NE2-O 2.98Å; H435-F474 HydrophobicContact CB-CE1 4.36Å; H435-F474 HydrophobicContact CB-CE2 4.38Å; H435-F474 HydrophobicContact CB-CZ 4.08Å; H435-F474 AromaticContact CD2-CD1 3.97Å; H435-F474 AromaticContact CD2-CG 3.89Å; H435-F474 AromaticContact NE2-CD2 3.97Å; H435-F474 AromaticContact NE2-CG 3.86Å
436	L	97.7	Very high	97.4	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-75	-30.5	-176.2	-62.7	-178.2	0	0	0	113.2	M432 K438 R439 A440 V443 V458 L467 I471	M432-L436 HydrophobicContact CG-CD1 3.81Å; M432-L436 HydrophobicContact CG-CG 4.21Å; M432-L436 WeakPolarHBondContact O-CB 3.31Å; M432-L436 WeakPolarHBondContact O-CG 3.46Å; M432-L436 PolarHBondContact O-N 2.99Å; M432-L436 HydrophobicContact SD-CD1 3.58Å; M432-L436 VanDerWaalsContact SD-CD1 3.58Å; M432-L436 HydrophobicContact SD-CD2 4.19Å; M432-L436 HydrophobicContact SD-CG 3.68Å; L436-K438 PolarHBondContact O-N 3.37Å; L436-R439 WeakPolarHBondContact O-CB 3.42Å; L436-R439 WeakPolarHBondContact O-CG 3.25Å; L436-R439 PolarHBondContact O-N 2.65Å; L436-R439 PolarHBondContact O-NE 3.42Å; L436-A440 HydrophobicContact CB-CB 4.34Å; L436-A440 HydrophobicContact CD1-CB 3.99Å; L436-V443 HydrophobicContact CD1-CG2 3.99Å; L436-V458 HydrophobicContact CD1-CG1 3.86Å; L436-V458 HydrophobicContact CD1-CG2 4.04Å; L436-L467 HydrophobicContact CD1-CD1 4.17Å; L436-L467 HydrophobicContact CD2-CD1 3.85Å; L436-I471 HydrophobicContact CD1-CG1 4.06Å; L436-I471 HydrophobicContact CD2-CG1 4.1Å
437	G	94.9	Very high	97.3	Very high	48 Å²	48	49.5 Å²	49.5	50%	0.495	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	57	-127.6	-175.7	0	0	0	0	0	111.2	R433 R439	R433-G437 PolarHBondContact O-N 3.1Å; G437-R439 VanDerWaalsContact C-N 3.32Å; G437-R439 PolarHBondContact O-N 3.15Å
438	K	94.6	Very high	97.1	Very high	210 Å²	210	46.2 Å²	46.2	91%	0.913	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-85	3.6	-178.9	-61.6	-174	179.5	-178.5	0	114.8	L436	L436-K438 PolarHBondContact O-N 3.37Å
439	R	95.3	Very high	96.9	Very high	125 Å²	125	46.2 Å²	46.2	47%	0.472	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-73.9	-31.2	-177.8	-66.6	176.4	-76	174.5	-7	112.7	H435 L436 G437 L467 S470	H435-R439 PolarHBondContact O-NH2 2.92Å; L436-R439 WeakPolarHBondContact O-CB 3.42Å; L436-R439 WeakPolarHBondContact O-CG 3.25Å; L436-R439 PolarHBondContact O-N 2.65Å; L436-R439 PolarHBondContact O-NE 3.42Å; G437-R439 VanDerWaalsContact C-N 3.32Å; G437-R439 PolarHBondContact O-N 3.15Å; R439-L467 HydrophobicContact CB-CD1 4.15Å; R439-S470 PolarHBondContact NH1-OG 3.03Å
440	A	96.6	Very high	96.3	Very high	15 Å²	15	47.3 Å²	47.3	12%	0.124	23%	0.232	C	C	.	.	S	Bend	trans	-88.9	148.7	172.3	0	0	0	0	0	110.4	L436 V443 V458	L436-A440 HydrophobicContact CB-CB 4.34Å; L436-A440 HydrophobicContact CD1-CB 3.99Å; A440-V443 HydrophobicContact CB-CG2 3.73Å; A440-V458 HydrophobicContact CB-CG1 3.54Å
441	R	96.6	Very high	95.8	Very high	134 Å²	134	46.7 Å²	46.7	51%	0.506	23%	0.226	S	C	.	.	S	Bend	trans	-75.5	-52.1	169.9	176.2	175.5	171.8	133.6	-6	110.5	D410 T459	D410-R441 WeakPolarHBondContact O-CD 3.46Å; D410-R441 PolarHBondContact O-NE 2.83Å; D410-R441 IonicContact OD1-CZ 3.32Å; D410-R441 VanDerWaalsContact OD1-CZ 3.3Å; D410-R441 IonicContact OD1-NE 3.49Å; D410-R441 PolarHBondContact OD1-NE 2.89Å; D410-R441 IonicContact OD1-NH2 3.39Å; D410-R441 PolarHBondContact OD1-NH2 3.09Å; D410-R441 VanDerWaalsContact OD2-CD 3.31Å; D410-R441 WeakPolarHBondContact OD2-CD 3.46Å; D410-R441 IonicContact OD2-NE 2.8Å; D410-R441 PolarHBondContact OD2-NE 3.39Å; D410-R441 VanDerWaalsContact OD2-NE 3.15Å; R441-T459 WeakPolarHBondContact CB-O 3.41Å; R441-T459 PolarHBondContact N-O 2.83Å
442	S	97.8	Very high	95.5	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.2	171.6	-66.6	0	0	0	0	110.4	E330 R333 V458 T459	E330-S442 WeakPolarHBondContact OE1-CB 3.47Å; E330-S442 PolarHBondContact OE1-OG 3.45Å; R333-S442 PolarHBondContact NH2-OG 2.92Å; R333-S442 VanDerWaalsContact NH2-OG 3.12Å; S442-V458 CarbonylContact O-C 3.56Å; S442-V458 WeakPolarHBondContact O-CA 3.45Å; S442-T459 WeakPolarHBondContact CB-OG1 3.39Å; S442-T459 PolarHBondContact N-OG1 3.47Å; S442-T459 PolarHBondContact O-N 2.92Å
443	V	98.4	Very high	95.5	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	121.2	167.2	180	0	0	0	0	105.8	V429 M432 R433 L436 A440 N457 V458	V429-V443 HydrophobicContact CG1-CG1 4.41Å; M432-V443 HydrophobicContact CB-CG1 4.11Å; M432-V443 HydrophobicContact CG-CG1 3.8Å; R433-V443 HydrophobicContact CG-CB 3.65Å; R433-V443 HydrophobicContact CG-CG1 3.87Å; R433-V443 HydrophobicContact CG-CG2 4.24Å; R433-V443 VanDerWaalsContact CZ-O 3.28Å; R433-V443 PolarHBondContact NE-O 3.09Å; R433-V443 PolarHBondContact NH2-O 2.98Å; L436-V443 HydrophobicContact CD1-CG2 3.99Å; A440-V443 HydrophobicContact CB-CG2 3.73Å; V443-N457 WeakPolarHBondContact CA-O 3.44Å; V443-V458 HydrophobicContact CG1-CG2 4.33Å; V443-V458 HydrophobicContact CG2-CG1 4.26Å; V443-V458 HydrophobicContact CG2-CG2 4.23Å
444	V	98.4	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	151.6	-174.7	-54.7	0	0	0	0	112.1	E330 L334 L407 Y446 N457	E330-V444 HydrophobicContact CB-CG1 3.85Å; E330-V444 HydrophobicContact CG-CG1 3.45Å; E330-V444 VanDerWaalsContact CG-CG1 3.45Å; L334-V444 HydrophobicContact CD1-CG1 3.97Å; L407-V444 HydrophobicContact CD1-CG2 4.17Å; L407-V444 HydrophobicContact CD2-CG2 3.8Å; V444-Y446 HydrophobicContact CG2-CD1 4.23Å; V444-Y446 HydrophobicContact CG2-CE1 4.24Å; V444-N457 HydrophobicContact CG2-CB 3.75Å; V444-N457 PolarHBondContact N-O 2.89Å; V444-N457 PolarHBondContact O-N 3.11Å; V444-N457 VanDerWaalsContact O-N 3.07Å
445	G	98.2	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131.7	168.6	0	0	0	0	0	111.8	D328	D328-G445 PolarHBondContact N-O 2.73Å; D328-G445 PolarHBondContact OD2-N 2.91Å
446	Y	97.7	Very high	95.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	168.1	173.2	64.2	-80.1	0	0	0	108.8	F326 V403 T404 L407 V444 H455 N457	F326-Y446 CarbonylContact O-C 3.59Å; F326-Y446 VanDerWaalsContact O-CA 3.22Å; F326-Y446 WeakPolarHBondContact O-CA 3.32Å; F326-Y446 WeakPolarHBondContact O-CB 3.07Å; V403-Y446 HydrophobicContact CB-CD2 4.34Å; V403-Y446 HydrophobicContact CB-CE1 4.44Å; V403-Y446 HydrophobicContact CB-CE2 4.17Å; V403-Y446 HydrophobicContact CG1-CD1 3.62Å; V403-Y446 HydrophobicContact CG1-CD2 4.2Å; V403-Y446 HydrophobicContact CG1-CE1 3.48Å; V403-Y446 VanDerWaalsContact CG1-CE1 3.48Å; V403-Y446 HydrophobicContact CG1-CE2 4.07Å; V403-Y446 HydrophobicContact CG1-CG 3.98Å; T404-Y446 VanDerWaalsContact CG2-OH 3.24Å; T404-Y446 WeakPolarHBondContact CG2-OH 3.43Å; L407-Y446 HydrophobicContact CD1-CE1 3.94Å; V444-Y446 HydrophobicContact CG2-CD1 4.23Å; V444-Y446 HydrophobicContact CG2-CE1 4.24Å; Y446-H455 HydrophobicContact CD1-CB 4.06Å; Y446-H455 HydrophobicContact CD2-CB 3.98Å; Y446-H455 HydrophobicContact CE1-CB 3.72Å; Y446-H455 HydrophobicContact CE2-CB 3.64Å; Y446-H455 AromaticContact CE2-CG 3.89Å; Y446-H455 HydrophobicContact CG-CB 4.18Å; Y446-H455 VanDerWaalsContact CZ-CB 3.5Å; Y446-H455 PolarHBondContact N-O 3.32Å; Y446-H455 WeakPolarHBondContact O-CA 3.47Å; Y446-H455 WeakPolarHBondContact O-CB 3.32Å; Y446-H455 PolarHBondContact O-N 2.79Å; Y446-N457 WeakPolarHBondContact CE1-ND2 3.23Å; Y446-N457 PolarHBondContact OH-ND2 3.36Å
447	G	94.8	Very high	95.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-152.4	173.5	0	0	0	0	0	115	E325 F326	E325-G447 CarbonylContact C-O 3.55Å; E325-G447 VanDerWaalsContact CA-O 3.3Å; E325-G447 WeakPolarHBondContact CA-O 3.33Å; F326-G447 WeakPolarHBondContact CD1-O 3.45Å; F326-G447 PolarHBondContact N-O 3.31Å; F326-G447 PolarHBondContact O-N 2.61Å
448	H	94.8	Very high	95.6	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.023	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	97.6	-165.7	-43.2	-82.6	0	0	0	109	E325 R400 G450 G452 N453 H455 E489	E325-H448 IonicContact OE1-CE1 2.72Å; E325-H448 IonicContact OE1-CG 2.67Å; E325-H448 IonicContact OE1-ND1 3.95Å; E325-H448 PolarHBondContact OE1-ND1 2.96Å; E325-H448 IonicContact OE2-CE1 3.88Å; E325-H448 PolarHBondContact OE2-CE1 3.28Å; E325-H448 VanDerWaalsContact OE2-CE1 3.31Å; E325-H448 IonicContact OE2-CG 2.68Å; E325-H448 IonicContact OE2-ND1 2.84Å; E325-H448 PolarHBondContact OE2-ND1 3.38Å; R400-H448 PolarHBondContact NH2-CE1 3.47Å; R400-H448 PolarHBondContact NH2-NE2 2.8Å; H448-G450 VanDerWaalsContact C-N 3.27Å; H448-G450 PolarHBondContact O-N 2.88Å; H448-G452 PolarHBondContact O-N 3.13Å; H448-N453 HydrophobicContact CB-CB 4.15Å; H448-N453 PolarHBondContact CD2-ND2 2.99Å; H448-N453 PolarHBondContact N-O 3.31Å; H448-N453 PolarHBondContact O-N 3.41Å; H448-H455 AromaticContact CD2-NE2 3.53Å; H448-H455 AromaticContact NE2-CD2 3.87Å; H448-H455 AromaticContact NE2-NE2 3.13Å; H448-H455 PolarHBondContact NE2-NE2 3.41Å; H448-H455 VanDerWaalsContact NE2-NE2 3.13Å; H448-E489 IonicContact CD2-OE1 2.71Å; H448-E489 IonicContact NE2-OE1 3.61Å
449	V	92.9	Very high	95.7	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-38	-179.4	-174.1	0	0	0	0	110.2	L306 L307 F310 F324 F326 V422 D451 G452	L306-V449 HydrophobicContact CD2-CG1 4.19Å; L306-V449 HydrophobicContact CD2-CG2 3.99Å; L307-V449 HydrophobicContact CD2-CG1 4.13Å; F310-V449 HydrophobicContact CB-CG1 4.34Å; F310-V449 HydrophobicContact CD1-CG1 3.98Å; F310-V449 HydrophobicContact CE1-CG1 4.47Å; F310-V449 HydrophobicContact CG-CG1 4.08Å; F324-V449 HydrophobicContact CD1-CB 3.66Å; F324-V449 HydrophobicContact CD1-CG1 4.28Å; F324-V449 HydrophobicContact CD1-CG2 3.76Å; F324-V449 HydrophobicContact CE1-CB 4.04Å; F324-V449 HydrophobicContact CE1-CG1 4.27Å; F324-V449 HydrophobicContact CE1-CG2 3.9Å; F324-V449 PolarHBondContact O-N 3.38Å; F326-V449 HydrophobicContact CB-CG2 3.91Å; F326-V449 HydrophobicContact CD1-CG2 3.45Å; F326-V449 VanDerWaalsContact CD1-CG2 3.45Å; F326-V449 HydrophobicContact CE1-CG2 4.32Å; F326-V449 HydrophobicContact CG-CG2 3.97Å; V422-V449 HydrophobicContact CG2-CG1 3.67Å; V422-V449 WeakPolarHBondContact CG2-O 3.2Å; V449-D451 PolarHBondContact O-N 2.79Å; V449-D451 VanDerWaalsContact O-N 3.16Å; V449-G452 PolarHBondContact O-N 3.42Å
450	G	84	Confident	95.8	Very high	23 Å²	23	13.5 Å²	13.5	24%	0.237	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.9	-177	0	0	0	0	0	114.3	H448	H448-G450 VanDerWaalsContact C-N 3.27Å; H448-G450 PolarHBondContact O-N 2.88Å
451	D	87.3	Confident	95.8	Very high	55 Å²	55	18 Å²	18	29%	0.294	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	8.5	-170.1	-45.9	-42	0	0	0	111.7	L227 L228 V449 N453	L227-D451 HydrophobicContact CD2-CB 3.83Å; L227-D451 WeakPolarHBondContact CD2-OD2 3.3Å; L228-D451 PolarHBondContact N-OD2 2.88Å; V449-D451 PolarHBondContact O-N 2.79Å; V449-D451 VanDerWaalsContact O-N 3.16Å; D451-N453 VanDerWaalsContact C-N 3.31Å; D451-N453 PolarHBondContact O-N 2.82Å
452	G	93.3	Very high	95.7	Very high	7 Å²	7	14.6 Å²	14.6	7%	0.072	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	23.3	178.6	0	0	0	0	0	114.5	S419 L420 H448 V449	S419-G452 CarbonylContact C-O 3.42Å; S419-G452 VanDerWaalsContact CA-O 3.29Å; S419-G452 WeakPolarHBondContact CA-O 3.35Å; L420-G452 PolarHBondContact N-O 2.91Å; H448-G452 PolarHBondContact O-N 3.13Å; V449-G452 PolarHBondContact O-N 3.42Å
453	N	97	Very high	95.4	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.011	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.3	-176.3	-175.8	17.2	0	0	0	112.9	D417 I418 H448 D451 A488 E489	D417-N453 PolarHBondContact OD1-ND2 2.89Å; D417-N453 PolarHBondContact OD1-OD1 2.74Å; I418-N453 WeakPolarHBondContact O-CA 3.45Å; I418-N453 PolarHBondContact O-OD1 3.07Å; I418-N453 VanDerWaalsContact O-OD1 3.05Å; H448-N453 HydrophobicContact CB-CB 4.15Å; H448-N453 PolarHBondContact CD2-ND2 2.99Å; H448-N453 PolarHBondContact N-O 3.31Å; H448-N453 PolarHBondContact O-N 3.41Å; D451-N453 VanDerWaalsContact C-N 3.31Å; D451-N453 PolarHBondContact O-N 2.82Å; N453-A488 HydrophobicContact CB-CB 4.13Å; N453-A488 WeakPolarHBondContact OD1-CB 3.28Å; N453-E489 PolarHBondContact ND2-OE1 2.71Å
454	L	97.4	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.1	176.6	-179.3	72.9	0	0	0	111.6	F326 D417 I418 I425 L428 V429 L456	F326-L454 HydrophobicContact CE1-CD1 4.31Å; F326-L454 HydrophobicContact CZ-CD1 3.69Å; D417-L454 WeakPolarHBondContact CA-O 3.35Å; I418-L454 HydrophobicContact CD1-CB 4.42Å; I418-L454 HydrophobicContact CD1-CD2 3.89Å; I418-L454 HydrophobicContact CG1-CB 3.83Å; I418-L454 HydrophobicContact CG1-CD2 4.18Å; I418-L454 HydrophobicContact CG1-CG 4.45Å; I418-L454 PolarHBondContact N-O 2.72Å; I418-L454 PolarHBondContact O-N 2.69Å; I425-L454 HydrophobicContact CD1-CB 4.1Å; I425-L454 HydrophobicContact CG1-CB 3.68Å; I425-L454 HydrophobicContact CG1-CD1 4.34Å; I425-L454 HydrophobicContact CG1-CG 4.45Å; I425-L454 WeakPolarHBondContact O-CD2 3.24Å; L428-L454 HydrophobicContact CB-CD2 4.47Å; L428-L454 HydrophobicContact CD2-CD2 4.15Å; V429-L454 HydrophobicContact CG2-CD1 4.07Å; V429-L454 HydrophobicContact CG2-CD2 4.05Å; L454-L456 HydrophobicContact CD2-CB 3.94Å; L454-L456 HydrophobicContact CD2-CD1 4.29Å; L454-L456 HydrophobicContact CG-CB 4.28Å; L454-L456 PolarHBondContact O-N 3.47Å
455	H	97.4	Very high	95	Very high	15 Å²	15	28 Å²	28	7%	0.069	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	93.1	161.3	-62.8	-77.5	0	0	0	109.7	Y416 D417 Y446 H448 N457 H490	Y416-H455 CarbonylContact O-C 3.56Å; Y416-H455 WeakPolarHBondContact O-CA 3.18Å; D417-H455 IonicContact OD1-CE1 3.15Å; D417-H455 PolarHBondContact OD1-CE1 3.39Å; D417-H455 IonicContact OD1-ND1 3.84Å; Y446-H455 HydrophobicContact CD1-CB 4.06Å; Y446-H455 HydrophobicContact CD2-CB 3.98Å; Y446-H455 HydrophobicContact CE1-CB 3.72Å; Y446-H455 HydrophobicContact CE2-CB 3.64Å; Y446-H455 AromaticContact CE2-CG 3.89Å; Y446-H455 HydrophobicContact CG-CB 4.18Å; Y446-H455 VanDerWaalsContact CZ-CB 3.5Å; Y446-H455 PolarHBondContact N-O 3.32Å; Y446-H455 WeakPolarHBondContact O-CA 3.47Å; Y446-H455 WeakPolarHBondContact O-CB 3.32Å; Y446-H455 PolarHBondContact O-N 2.79Å; H448-H455 AromaticContact CD2-NE2 3.53Å; H448-H455 AromaticContact NE2-CD2 3.87Å; H448-H455 AromaticContact NE2-NE2 3.13Å; H448-H455 PolarHBondContact NE2-NE2 3.41Å; H448-H455 VanDerWaalsContact NE2-NE2 3.13Å; H455-N457 PolarHBondContact O-ND2 3.49Å; H455-H490 AromaticContact CE1-CE1 3.9Å; H455-H490 AromaticContact CE1-NE2 3.98Å; H455-H490 AromaticContact ND1-CE1 3.92Å
456	L	98.2	Very high	94.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.1	172.4	-178	111.6	0	0	0	109.3	Y416 L428 V429 M432 L454 I475	Y416-L456 HydrophobicContact CD2-CD2 4.12Å; Y416-L456 PolarHBondContact N-O 2.79Å; Y416-L456 PolarHBondContact O-N 3.35Å; L428-L456 HydrophobicContact CD2-CD1 4.26Å; L428-L456 HydrophobicContact CG-CD1 4.09Å; V429-L456 HydrophobicContact CB-CD1 4.26Å; V429-L456 HydrophobicContact CG2-CD1 3.84Å; M432-L456 HydrophobicContact CB-CD1 4.35Å; M432-L456 HydrophobicContact CE-CD2 3.98Å; M432-L456 HydrophobicContact CG-CD2 4.36Å; L454-L456 HydrophobicContact CD2-CB 3.94Å; L454-L456 HydrophobicContact CD2-CD1 4.29Å; L454-L456 HydrophobicContact CG-CB 4.28Å; L454-L456 PolarHBondContact O-N 3.47Å; L456-I475 HydrophobicContact CD2-CD1 3.43Å; L456-I475 VanDerWaalsContact CD2-CD1 3.43Å; L456-I475 HydrophobicContact CD2-CG1 4.21Å
457	N	98.1	Very high	94.8	Very high	3 Å²	3	31 Å²	31	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.5	179.5	-68.5	-108.5	0	0	0	110.7	L407 T413 Y414 K415 V443 V444 Y446 H455	L407-N457 HydrophobicContact CD1-CB 3.66Å; L407-N457 HydrophobicContact CD2-CB 4.14Å; T413-N457 HydrophobicContact CG2-CB 4.01Å; T413-N457 WeakPolarHBondContact CG2-OD1 3.49Å; Y414-N457 WeakPolarHBondContact O-CA 3.38Å; K415-N457 VanDerWaalsContact CG-OD1 3.3Å; K415-N457 WeakPolarHBondContact CG-OD1 3.45Å; V443-N457 WeakPolarHBondContact CA-O 3.44Å; V444-N457 HydrophobicContact CG2-CB 3.75Å; V444-N457 PolarHBondContact N-O 2.89Å; V444-N457 PolarHBondContact O-N 3.11Å; V444-N457 VanDerWaalsContact O-N 3.07Å; Y446-N457 WeakPolarHBondContact CE1-ND2 3.23Å; Y446-N457 PolarHBondContact OH-ND2 3.36Å; H455-N457 PolarHBondContact O-ND2 3.49Å
458	V	98.3	Very high	94.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.1	173.9	-176.8	0	0	0	0	108.1	T413 Y414 M432 L436 A440 S442 V443 L467 I471	T413-V458 CarbonylContact C-O 3.49Å; T413-V458 WeakPolarHBondContact CA-O 3.34Å; Y414-V458 HydrophobicContact CD2-CB 4.1Å; Y414-V458 HydrophobicContact CD2-CG1 4.23Å; Y414-V458 WeakPolarHBondContact CD2-O 3.47Å; Y414-V458 PolarHBondContact N-O 3.28Å; Y414-V458 PolarHBondContact O-N 2.91Å; M432-V458 HydrophobicContact CG-CG2 4.35Å; L436-V458 HydrophobicContact CD1-CG1 3.86Å; L436-V458 HydrophobicContact CD1-CG2 4.04Å; A440-V458 HydrophobicContact CB-CG1 3.54Å; S442-V458 CarbonylContact O-C 3.56Å; S442-V458 WeakPolarHBondContact O-CA 3.45Å; V443-V458 HydrophobicContact CG1-CG2 4.33Å; V443-V458 HydrophobicContact CG2-CG1 4.26Å; V443-V458 HydrophobicContact CG2-CG2 4.23Å; V458-L467 HydrophobicContact CG1-CD2 4.35Å; V458-I471 HydrophobicContact CB-CD1 3.96Å; V458-I471 HydrophobicContact CG1-CD1 3.99Å; V458-I471 HydrophobicContact CG2-CD1 4.07Å
459	T	97.8	Very high	94.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	149.6	176.2	65.4	0	0	0	0	111.7	L407 D410 F412 T413 R441 S442	L407-T459 HydrophobicContact CD2-CG2 3.59Å; D410-T459 HydrophobicContact CB-CG2 4.26Å; D410-T459 WeakPolarHBondContact OD2-CB 3.48Å; D410-T459 PolarHBondContact OD2-OG1 3.41Å; F412-T459 CarbonylContact O-C 3.48Å; F412-T459 VanDerWaalsContact O-CA 3.31Å; F412-T459 WeakPolarHBondContact O-CA 3.5Å; T413-T459 HydrophobicContact CG2-CG2 4.34Å; R441-T459 WeakPolarHBondContact CB-O 3.41Å; R441-T459 PolarHBondContact N-O 2.83Å; S442-T459 WeakPolarHBondContact CB-OG1 3.39Å; S442-T459 PolarHBondContact N-OG1 3.47Å; S442-T459 PolarHBondContact O-N 2.92Å
460	S	96.9	Very high	95	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.028	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.4	168.3	56.8	0	0	0	0	110.1	G411 F412 Y414 A462	G411-S460 CarbonylContact C-O 3.33Å; G411-S460 WeakPolarHBondContact CA-O 3.37Å; F412-S460 PolarHBondContact N-O 3.23Å; F412-S460 PolarHBondContact O-N 2.87Å; Y414-S460 VanDerWaalsContact CE2-OG 3.3Å; Y414-S460 WeakPolarHBondContact CE2-OG 3.42Å; Y414-S460 PolarHBondContact OH-OG 3.48Å; S460-A462 WeakPolarHBondContact CB-O 3.49Å; S460-A462 PolarHBondContact O-N 2.79Å; S460-A462 VanDerWaalsContact O-N 3.17Å; S460-A462 PolarHBondContact OG-O 2.69Å
461	P	95.6	Very high	95.7	Very high	109 Å²	109	36.5 Å²	36.5	71%	0.708	23%	0.231	S	C	*	.	S	Bend	trans	-56.1	-34.6	-179.4	-27.3	35.6	0	0	0	114
462	A	94.7	Very high	96.1	Very high	64 Å²	64	35.6 Å²	35.6	53%	0.529	23%	0.225	S	C	.	.	S	Bend	trans	-144.8	170.9	174.5	0	0	0	0	0	109.8	S460 D464	S460-A462 WeakPolarHBondContact CB-O 3.49Å; S460-A462 PolarHBondContact O-N 2.79Å; S460-A462 VanDerWaalsContact O-N 3.17Å; S460-A462 PolarHBondContact OG-O 2.69Å; A462-D464 PolarHBondContact O-N 3.2Å
463	K	92.7	Very high	96.2	Very high	133 Å²	133	37.7 Å²	37.7	58%	0.578	24%	0.238	S	C	*	.			trans	-60.6	125.9	173	-172.2	176.3	-178.5	179.6	0	109.7	F412	F412-K463 HydrophobicContact CD1-CB 4.15Å; F412-K463 HydrophobicContact CD1-CG 4.36Å; F412-K463 HydrophobicContact CD2-CB 3.8Å; F412-K463 HydrophobicContact CD2-CG 4.45Å; F412-K463 HydrophobicContact CE1-CB 4.2Å; F412-K463 HydrophobicContact CE1-CG 3.95Å; F412-K463 HydrophobicContact CE2-CB 3.85Å; F412-K463 HydrophobicContact CE2-CD 4.04Å; F412-K463 HydrophobicContact CE2-CG 4.04Å; F412-K463 HydrophobicContact CG-CB 3.96Å; F412-K463 HydrophobicContact CZ-CB 4.05Å; F412-K463 HydrophobicContact CZ-CD 3.89Å; F412-K463 HydrophobicContact CZ-CG 3.78Å
464	D	94.6	Very high	96.2	Very high	64 Å²	64	40 Å²	40	34%	0.342	25%	0.248	S	C	.	.			trans	-128.1	107.9	-175.8	177.9	-4.5	0	0	0	109.3	Y414 A462 A466 L467 L468	Y414-D464 PolarHBondContact OH-N 2.87Å; Y414-D464 PolarHBondContact OH-O 2.77Å; A462-D464 PolarHBondContact O-N 3.2Å; D464-A466 VanDerWaalsContact C-N 3.27Å; D464-A466 PolarHBondContact O-N 2.84Å; D464-A466 WeakPolarHBondContact OD1-CB 3.18Å; D464-A466 PolarHBondContact OD1-N 2.97Å; D464-L467 HydrophobicContact CB-CB 3.87Å; D464-L467 PolarHBondContact O-N 3.49Å; D464-L467 PolarHBondContact OD1-N 2.87Å; D464-L468 PolarHBondContact O-N 3.38Å
465	P	93.6	Very high	96.2	Very high	99 Å²	99	40 Å²	40	64%	0.643	25%	0.248	S	C	*	.	H	α-helix	trans	-59.8	-32.3	177.6	-24.8	35	0	0	0	114.3	L468 A469	P465-L468 PolarHBondContact O-N 2.96Å; P465-A469 WeakPolarHBondContact O-CB 3.24Å; P465-A469 PolarHBondContact O-N 3.24Å
466	A	95.8	Very high	96.2	Very high	65 Å²	65	39.4 Å²	39.4	54%	0.537	25%	0.245	S	C	.	.	H	α-helix	trans	-73.6	-37.4	-179.8	0	0	0	0	0	111.3	D464 S470	D464-A466 VanDerWaalsContact C-N 3.27Å; D464-A466 PolarHBondContact O-N 2.84Å; D464-A466 WeakPolarHBondContact OD1-CB 3.18Å; D464-A466 PolarHBondContact OD1-N 2.97Å; A466-S470 PolarHBondContact O-N 3.39Å; A466-S470 VanDerWaalsContact O-N 3.1Å; A466-S470 PolarHBondContact O-OG 2.83Å
467	L	96.5	Very high	96.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-45.5	171	-178.6	56.9	0	0	0	110.9	Y414 L436 R439 V458 D464 A469 S470 I471	Y414-L467 HydrophobicContact CD2-CD2 4.37Å; Y414-L467 HydrophobicContact CE2-CD2 3.61Å; Y414-L467 HydrophobicContact CE2-CG 4.12Å; L436-L467 HydrophobicContact CD1-CD1 4.17Å; L436-L467 HydrophobicContact CD2-CD1 3.85Å; R439-L467 HydrophobicContact CB-CD1 4.15Å; V458-L467 HydrophobicContact CG1-CD2 4.35Å; D464-L467 HydrophobicContact CB-CB 3.87Å; D464-L467 PolarHBondContact O-N 3.49Å; D464-L467 PolarHBondContact OD1-N 2.87Å; L467-A469 PolarHBondContact O-N 2.93Å; L467-S470 WeakPolarHBondContact O-CA 3.39Å; L467-S470 WeakPolarHBondContact O-CB 3.46Å; L467-S470 PolarHBondContact O-N 2.93Å; L467-I471 HydrophobicContact CD1-CD1 4.26Å; L467-I471 HydrophobicContact CD1-CG1 4.38Å; L467-I471 HydrophobicContact CG-CD1 4Å; L467-I471 WeakPolarHBondContact O-CG1 3.42Å; L467-I471 PolarHBondContact O-N 3.06Å
468	L	95	Very high	96.2	Very high	47 Å²	47	45 Å²	45	25%	0.246	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-48.3	175.3	179.2	60.4	0	0	0	111.7	Y414 D464 P465 S470 I471 E472	Y414-L468 HydrophobicContact CD1-CB 4.45Å; Y414-L468 HydrophobicContact CD1-CD1 3.94Å; Y414-L468 HydrophobicContact CE1-CB 3.94Å; Y414-L468 HydrophobicContact CE1-CD1 4.25Å; D464-L468 PolarHBondContact O-N 3.38Å; P465-L468 PolarHBondContact O-N 2.96Å; L468-S470 PolarHBondContact O-N 3.17Å; L468-I471 PolarHBondContact O-N 3.12Å; L468-E472 HydrophobicContact CD1-CG 4.04Å; L468-E472 PolarHBondContact O-N 2.71Å
469	A	94.8	Very high	96.1	Very high	73 Å²	73	45 Å²	45	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-66.7	-14.3	176.8	0	0	0	0	0	113.9	P465 L467 E472	P465-A469 WeakPolarHBondContact O-CB 3.24Å; P465-A469 PolarHBondContact O-N 3.24Å; L467-A469 PolarHBondContact O-N 2.93Å; A469-E472 CarbonylContact C-O 3.58Å
470	S	96.8	Very high	96.1	Very high	24 Å²	24	46.5 Å²	46.5	17%	0.168	28%	0.283	C	S	.	.	H	α-helix	trans	-87	-28.6	171.3	-58.4	0	0	0	0	111.9	H435 R439 A466 L467 L468	H435-S470 PolarHBondContact CD2-O 2.94Å; H435-S470 PolarHBondContact NE2-O 2.98Å; R439-S470 PolarHBondContact NH1-OG 3.03Å; A466-S470 PolarHBondContact O-N 3.39Å; A466-S470 VanDerWaalsContact O-N 3.1Å; A466-S470 PolarHBondContact O-OG 2.83Å; L467-S470 WeakPolarHBondContact O-CA 3.39Å; L467-S470 WeakPolarHBondContact O-CB 3.46Å; L467-S470 PolarHBondContact O-N 2.93Å; L468-S470 PolarHBondContact O-N 3.17Å
471	I	97.3	Very high	96.2	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-82.6	-44.8	177.5	-60.2	162.3	0	0	0	110.7	Y414 Y416 M432 L436 V458 L467 L468 F474 I475	Y414-I471 HydrophobicContact CD1-CD1 4.29Å; Y414-I471 HydrophobicContact CD2-CD1 3.89Å; Y414-I471 HydrophobicContact CE2-CD1 4.49Å; Y414-I471 HydrophobicContact CG-CD1 3.8Å; Y416-I471 HydrophobicContact CD2-CG2 4.39Å; Y416-I471 HydrophobicContact CE1-CG2 4.28Å; Y416-I471 HydrophobicContact CE2-CG2 3.45Å; Y416-I471 VanDerWaalsContact CE2-CG2 3.45Å; Y416-I471 WeakPolarHBondContact OH-CG2 3.36Å; M432-I471 HydrophobicContact CE-CG2 3.88Å; M432-I471 HydrophobicContact SD-CG1 4.46Å; M432-I471 HydrophobicContact SD-CG2 4.46Å; L436-I471 HydrophobicContact CD1-CG1 4.06Å; L436-I471 HydrophobicContact CD2-CG1 4.1Å; V458-I471 HydrophobicContact CB-CD1 3.96Å; V458-I471 HydrophobicContact CG1-CD1 3.99Å; V458-I471 HydrophobicContact CG2-CD1 4.07Å; L467-I471 HydrophobicContact CD1-CD1 4.26Å; L467-I471 HydrophobicContact CD1-CG1 4.38Å; L467-I471 HydrophobicContact CG-CD1 4Å; L467-I471 WeakPolarHBondContact O-CG1 3.42Å; L467-I471 PolarHBondContact O-N 3.06Å; L468-I471 PolarHBondContact O-N 3.12Å; I471-F474 WeakPolarHBondContact O-CB 3.16Å; I471-F474 PolarHBondContact O-N 2.86Å; I471-F474 VanDerWaalsContact O-N 3.13Å; I471-I475 HydrophobicContact CG2-CB 4.36Å; I471-I475 HydrophobicContact CG2-CG2 4.21Å; I471-I475 PolarHBondContact O-N 3.12Å
472	E	95.5	Very high	96.2	Very high	36 Å²	36	50.7 Å²	50.7	17%	0.168	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	129.3	177.1	-56.7	-170	161.3	0	0	109.7	Y416 L468 A469 Y476 Y499	Y416-E472 HydrophobicContact CE1-CG 4.06Å; Y416-E472 WeakPolarHBondContact CE1-OE1 3.38Å; Y416-E472 WeakPolarHBondContact OH-CG 3.45Å; Y416-E472 PolarHBondContact OH-OE1 3.21Å; L468-E472 HydrophobicContact CD1-CG 4.04Å; L468-E472 PolarHBondContact O-N 2.71Å; A469-E472 CarbonylContact C-O 3.58Å; E472-Y476 HydrophobicContact CB-CE2 4.18Å; E472-Y476 HydrophobicContact CG-CD2 4.42Å; E472-Y476 HydrophobicContact CG-CE2 3.7Å; E472-Y476 WeakPolarHBondContact OE1-CE2 3.35Å; E472-Y476 PolarHBondContact OE1-OH 3.46Å; E472-Y499 PolarHBondContact OE2-OH 2.87Å
473	P	95.3	Very high	96.3	Very high	52 Å²	52	56.6 Å²	56.6	34%	0.338	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.7	3.3	9.7	36.4	-36.9	0	0	0	115.2	I475 Y476 E477 Y502	P473-I475 VanDerWaalsContact C-N 3.27Å; P473-I475 PolarHBondContact O-N 2.81Å; P473-I475 VanDerWaalsContact O-N 3.11Å; P473-Y476 PolarHBondContact O-N 3.32Å; P473-E477 HydrophobicContact CB-CG 4.3Å; P473-E477 PolarHBondContact O-N 3.4Å; P473-Y502 WeakPolarHBondContact CB-OH 3.28Å
474	F	97.5	Very high	96.5	Very high	49 Å²	49	50.7 Å²	50.7	22%	0.215	28%	0.283	C	S	.	.	H	α-helix	trans	-46.8	-47.2	-173.9	172.2	-89.9	0	0	0	113.3	L428 D431 M432 H435 I471 Y476 E477 W478	L428-F474 HydrophobicContact CD1-CE1 4.41Å; D431-F474 HydrophobicContact CB-CZ 4.46Å; M432-F474 HydrophobicContact CE-CD1 3.61Å; M432-F474 HydrophobicContact CE-CE1 3.9Å; M432-F474 HydrophobicContact SD-CD1 4.15Å; M432-F474 HydrophobicContact SD-CE1 4.25Å; H435-F474 HydrophobicContact CB-CE1 4.36Å; H435-F474 HydrophobicContact CB-CE2 4.38Å; H435-F474 HydrophobicContact CB-CZ 4.08Å; H435-F474 AromaticContact CD2-CD1 3.97Å; H435-F474 AromaticContact CD2-CG 3.89Å; H435-F474 AromaticContact NE2-CD2 3.97Å; H435-F474 AromaticContact NE2-CG 3.86Å; I471-F474 WeakPolarHBondContact O-CB 3.16Å; I471-F474 PolarHBondContact O-N 2.86Å; I471-F474 VanDerWaalsContact O-N 3.13Å; F474-Y476 PolarHBondContact O-N 2.96Å; F474-E477 PolarHBondContact O-N 3.06Å; F474-W478 VanDerWaalsContact O-CB 3.28Å; F474-W478 WeakPolarHBondContact O-CB 3.41Å; F474-W478 PolarHBondContact O-N 3.1Å
475	I	97.5	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-40.1	-179.8	-164.6	-173.9	0	0	0	112.7	Y416 L428 M432 L456 I471 P473 T479	Y416-I475 HydrophobicContact CD1-CD1 3.48Å; Y416-I475 VanDerWaalsContact CD1-CD1 3.48Å; Y416-I475 HydrophobicContact CD1-CG2 3.93Å; Y416-I475 HydrophobicContact CD2-CD1 3.71Å; Y416-I475 HydrophobicContact CE1-CD1 4.2Å; Y416-I475 HydrophobicContact CE1-CG2 3.78Å; Y416-I475 HydrophobicContact CE2-CD1 4.4Å; Y416-I475 HydrophobicContact CG-CD1 3.19Å; L428-I475 HydrophobicContact CD1-CG1 4.38Å; L428-I475 HydrophobicContact CD2-CD1 4.42Å; L428-I475 HydrophobicContact CD2-CG1 3.96Å; M432-I475 HydrophobicContact CE-CB 3.9Å; M432-I475 HydrophobicContact CE-CG1 4.17Å; L456-I475 HydrophobicContact CD2-CD1 3.43Å; L456-I475 VanDerWaalsContact CD2-CD1 3.43Å; L456-I475 HydrophobicContact CD2-CG1 4.21Å; I471-I475 HydrophobicContact CG2-CB 4.36Å; I471-I475 HydrophobicContact CG2-CG2 4.21Å; I471-I475 PolarHBondContact O-N 3.12Å; P473-I475 VanDerWaalsContact C-N 3.27Å; P473-I475 PolarHBondContact O-N 2.81Å; P473-I475 VanDerWaalsContact O-N 3.11Å; I475-T479 WeakPolarHBondContact O-CB 3.34Å; I475-T479 PolarHBondContact O-N 3.25Å; I475-T479 PolarHBondContact O-OG1 3Å
476	Y	97.6	Very high	96.8	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-73.6	-39.9	-179.1	-57.9	-49.3	0	0	0	111.1	Y416 E472 P473 F474 T479 A480 I486 Y499 Y502	Y416-Y476 HydrophobicContact CD1-CE1 4.27Å; Y416-Y476 HydrophobicContact CE1-CE1 4.44Å; E472-Y476 HydrophobicContact CB-CE2 4.18Å; E472-Y476 HydrophobicContact CG-CD2 4.42Å; E472-Y476 HydrophobicContact CG-CE2 3.7Å; E472-Y476 WeakPolarHBondContact OE1-CE2 3.35Å; E472-Y476 PolarHBondContact OE1-OH 3.46Å; P473-Y476 PolarHBondContact O-N 3.32Å; F474-Y476 PolarHBondContact O-N 2.96Å; Y476-T479 PolarHBondContact O-N 2.86Å; Y476-A480 WeakPolarHBondContact O-CB 3.45Å; Y476-A480 PolarHBondContact O-N 3.2Å; Y476-I486 HydrophobicContact CD1-CB 3.76Å; Y476-I486 HydrophobicContact CD1-CD1 4.4Å; Y476-I486 HydrophobicContact CD1-CG2 3.53Å; Y476-I486 HydrophobicContact CE1-CB 4.07Å; Y476-I486 HydrophobicContact CE1-CD1 4.4Å; Y476-I486 HydrophobicContact CE1-CG2 4.34Å; Y476-I486 HydrophobicContact CG-CG2 4.27Å; Y476-Y499 AromaticContact CD2-CD1 3.46Å; Y476-Y499 HydrophobicContact CD2-CD1 3.46Å; Y476-Y499 VanDerWaalsContact CD2-CD1 3.46Å; Y476-Y499 HydrophobicContact CD2-CD2 4.38Å; Y476-Y499 AromaticContact CD2-CE1 3.71Å; Y476-Y499 HydrophobicContact CD2-CE1 3.71Å; Y476-Y499 AromaticContact CD2-CG 3.83Å; Y476-Y499 HydrophobicContact CD2-CG 3.83Å; Y476-Y499 AromaticContact CE2-CD1 3.57Å; Y476-Y499 HydrophobicContact CE2-CD1 3.57Å; Y476-Y499 AromaticContact CE2-CD2 3.68Å; Y476-Y499 HydrophobicContact CE2-CD2 3.68Å; Y476-Y499 AromaticContact CE2-CE1 3.63Å; Y476-Y499 HydrophobicContact CE2-CE1 3.63Å; Y476-Y499 AromaticContact CE2-CE2 3.71Å; Y476-Y499 HydrophobicContact CE2-CE2 3.71Å; Y476-Y499 AromaticContact CE2-CG 3.6Å; Y476-Y499 HydrophobicContact CE2-CG 3.6Å; Y476-Y499 AromaticContact CE2-CZ 3.68Å; Y476-Y499 HydrophobicContact CG-CD1 4.33Å; Y476-Y499 AromaticContact CZ-CD2 3.98Å; Y476-Y502 HydrophobicContact CG-CD2 4.34Å; Y476-Y502 WeakPolarHBondContact O-CD1 3.38Å
477	E	97.9	Very high	96.9	Very high	103 Å²	103	42.4 Å²	42.4	48%	0.481	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-44.6	173.2	-72.7	175.3	170.8	0	0	111.8	P473 F474 T479 A480 K481 Y502	P473-E477 HydrophobicContact CB-CG 4.3Å; P473-E477 PolarHBondContact O-N 3.4Å; F474-E477 PolarHBondContact O-N 3.06Å; E477-T479 VanDerWaalsContact C-N 3.35Å; E477-A480 PolarHBondContact O-N 2.97Å; E477-K481 WeakPolarHBondContact O-CB 3.26Å; E477-K481 PolarHBondContact O-N 3.17Å; E477-Y502 HydrophobicContact CB-CE1 4.37Å; E477-Y502 HydrophobicContact CG-CE1 3.62Å
478	W	97.7	Very high	96.9	Very high	17 Å²	17	44 Å²	44	6%	0.064	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-47.4	175.1	-167.1	110.4	0	0	0	110.4	L420 Q427 L428 D431 F474 A480 K481 F482	L420-W478 HydrophobicContact CD1-CE3 4.35Å; L420-W478 HydrophobicContact CD1-CH2 4.11Å; L420-W478 HydrophobicContact CD1-CZ3 3.47Å; L420-W478 VanDerWaalsContact CD1-CZ3 3.47Å; L420-W478 HydrophobicContact CD2-CE3 4.22Å; L420-W478 HydrophobicContact CD2-CZ3 3.6Å; L420-W478 HydrophobicContact CG-CZ3 4.15Å; Q427-W478 HydrophobicContact CB-CH2 4.29Å; Q427-W478 HydrophobicContact CB-CZ2 3.95Å; Q427-W478 HydrophobicContact CG-CZ2 4.01Å; L428-W478 HydrophobicContact CB-CD2 4.09Å; L428-W478 HydrophobicContact CB-CE3 3.93Å; L428-W478 HydrophobicContact CB-CH2 3.84Å; L428-W478 HydrophobicContact CB-CZ2 3.94Å; L428-W478 HydrophobicContact CB-CZ3 3.83Å; L428-W478 HydrophobicContact CD1-CB 3.89Å; L428-W478 HydrophobicContact CD1-CD2 3.49Å; L428-W478 VanDerWaalsContact CD1-CD2 3.49Å; L428-W478 HydrophobicContact CD1-CE3 3.8Å; L428-W478 HydrophobicContact CD1-CG 3.51Å; L428-W478 HydrophobicContact CD2-CE3 4.29Å; L428-W478 HydrophobicContact CG-CD2 4.28Å; L428-W478 HydrophobicContact CG-CE3 4.21Å; D431-W478 PolarHBondContact OD2-NE1 3.42Å; F474-W478 VanDerWaalsContact O-CB 3.28Å; F474-W478 WeakPolarHBondContact O-CB 3.41Å; F474-W478 PolarHBondContact O-N 3.1Å; W478-A480 PolarHBondContact O-N 2.88Å; W478-K481 WeakPolarHBondContact O-CB 3.21Å; W478-K481 PolarHBondContact O-N 3.22Å; W478-F482 AromaticContact CD2-CD2 3.87Å; W478-F482 HydrophobicContact CD2-CD2 3.87Å; W478-F482 AromaticContact CD2-CE2 3.87Å; W478-F482 HydrophobicContact CD2-CE2 3.87Å; W478-F482 AromaticContact CE2-CD2 3.95Å; W478-F482 AromaticContact CE2-CE2 3.52Å; W478-F482 AromaticContact CE3-CD2 3.65Å; W478-F482 HydrophobicContact CE3-CD2 3.65Å; W478-F482 HydrophobicContact CE3-CE2 4.11Å; W478-F482 AromaticContact CH2-CD2 3.56Å; W478-F482 HydrophobicContact CH2-CD2 3.56Å; W478-F482 AromaticContact CH2-CE2 3.67Å; W478-F482 HydrophobicContact CH2-CE2 3.67Å; W478-F482 HydrophobicContact CH2-CG 4.35Å; W478-F482 AromaticContact CZ2-CD2 3.82Å; W478-F482 HydrophobicContact CZ2-CD2 3.82Å; W478-F482 AromaticContact CZ2-CE2 3.43Å; W478-F482 HydrophobicContact CZ2-CE2 3.43Å; W478-F482 VanDerWaalsContact CZ2-CE2 3.43Å; W478-F482 HydrophobicContact CZ2-CZ 4.24Å; W478-F482 AromaticContact CZ3-CD2 3.46Å; W478-F482 HydrophobicContact CZ3-CD2 3.46Å; W478-F482 VanDerWaalsContact CZ3-CD2 3.46Å; W478-F482 AromaticContact CZ3-CE2 3.99Å; W478-F482 HydrophobicContact CZ3-CE2 3.99Å; W478-F482 HydrophobicContact CZ3-CG 4.26Å; W478-F482 WeakPolarHBondContact O-CD2 3.43Å
479	T	98.1	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-46.7	178.9	-59.1	0	0	0	0	111.4	L420 I475 Y476 E477 K481 F482 Q483 G484 I486	L420-T479 HydrophobicContact CD2-CG2 4.12Å; I475-T479 WeakPolarHBondContact O-CB 3.34Å; I475-T479 PolarHBondContact O-N 3.25Å; I475-T479 PolarHBondContact O-OG1 3Å; Y476-T479 PolarHBondContact O-N 2.86Å; E477-T479 VanDerWaalsContact C-N 3.35Å; T479-K481 PolarHBondContact O-N 3.11Å; T479-F482 CarbonylContact O-C 3.42Å; T479-F482 PolarHBondContact O-N 3.49Å; T479-Q483 PolarHBondContact O-N 3.18Å; T479-G484 PolarHBondContact O-N 3.44Å; T479-I486 HydrophobicContact CG2-CG2 4.06Å
480	A	97.8	Very high	96.7	Very high	32 Å²	32	42 Å²	42	26%	0.264	22%	0.218	S	C	.	.	H	α-helix	trans	-64.8	-36	179	0	0	0	0	0	113.1	Y476 E477 W478 F482 Q483 Y502	Y476-A480 WeakPolarHBondContact O-CB 3.45Å; Y476-A480 PolarHBondContact O-N 3.2Å; E477-A480 PolarHBondContact O-N 2.97Å; W478-A480 PolarHBondContact O-N 2.88Å; A480-F482 PolarHBondContact O-N 2.79Å; A480-Q483 PolarHBondContact O-N 3.1Å; A480-Y502 HydrophobicContact CB-CD1 3.74Å; A480-Y502 HydrophobicContact CB-CG 4.44Å; A480-Y502 VanDerWaalsContact CB-O 3.3Å; A480-Y502 WeakPolarHBondContact CB-O 3.49Å
481	K	97.4	Very high	96.7	Very high	160 Å²	160	41.5 Å²	41.5	70%	0.696	22%	0.217	S	C	*	.	H	α-helix	trans	-55.9	-32.5	175.4	178.5	-176.8	174	-175.6	0	112.3	E477 W478 T479	E477-K481 WeakPolarHBondContact O-CB 3.26Å; E477-K481 PolarHBondContact O-N 3.17Å; W478-K481 WeakPolarHBondContact O-CB 3.21Å; W478-K481 PolarHBondContact O-N 3.22Å; T479-K481 PolarHBondContact O-N 3.11Å
482	F	96.6	Very high	96.7	Very high	40 Å²	40	42.9 Å²	42.9	18%	0.175	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	17.2	177.7	-64.5	-76.5	0	0	0	113.4	R424 W478 T479 A480 G484	R424-F482 VanDerWaalsContact CD-CD1 3.44Å; W478-F482 AromaticContact CD2-CD2 3.87Å; W478-F482 HydrophobicContact CD2-CD2 3.87Å; W478-F482 AromaticContact CD2-CE2 3.87Å; W478-F482 HydrophobicContact CD2-CE2 3.87Å; W478-F482 AromaticContact CE2-CD2 3.95Å; W478-F482 AromaticContact CE2-CE2 3.52Å; W478-F482 AromaticContact CE3-CD2 3.65Å; W478-F482 HydrophobicContact CE3-CD2 3.65Å; W478-F482 HydrophobicContact CE3-CE2 4.11Å; W478-F482 AromaticContact CH2-CD2 3.56Å; W478-F482 HydrophobicContact CH2-CD2 3.56Å; W478-F482 AromaticContact CH2-CE2 3.67Å; W478-F482 HydrophobicContact CH2-CE2 3.67Å; W478-F482 HydrophobicContact CH2-CG 4.35Å; W478-F482 AromaticContact CZ2-CD2 3.82Å; W478-F482 HydrophobicContact CZ2-CD2 3.82Å; W478-F482 AromaticContact CZ2-CE2 3.43Å; W478-F482 HydrophobicContact CZ2-CE2 3.43Å; W478-F482 VanDerWaalsContact CZ2-CE2 3.43Å; W478-F482 HydrophobicContact CZ2-CZ 4.24Å; W478-F482 AromaticContact CZ3-CD2 3.46Å; W478-F482 HydrophobicContact CZ3-CD2 3.46Å; W478-F482 VanDerWaalsContact CZ3-CD2 3.46Å; W478-F482 AromaticContact CZ3-CE2 3.99Å; W478-F482 HydrophobicContact CZ3-CE2 3.99Å; W478-F482 HydrophobicContact CZ3-CG 4.26Å; W478-F482 WeakPolarHBondContact O-CD2 3.43Å; T479-F482 CarbonylContact O-C 3.42Å; T479-F482 PolarHBondContact O-N 3.49Å; A480-F482 PolarHBondContact O-N 2.79Å; F482-G484 PolarHBondContact O-N 2.84Å
483	Q	96.8	Very high	96.8	Very high	188 Å²	188	41.1 Å²	41.1	88%	0.879	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	33.3	179.2	-54.6	177.4	40.2	0	0	113	T479 A480	T479-Q483 PolarHBondContact O-N 3.18Å; A480-Q483 PolarHBondContact O-N 3.1Å
484	G	97.1	Very high	96.8	Very high	9 Å²	9	39.7 Å²	39.7	9%	0.093	21%	0.205	C	C	.	.			trans	-83.5	174.6	179.3	0	0	0	0	0	114.8	S419 T479 F482 S503	S419-G484 CarbonylContact O-C 3.44Å; S419-G484 WeakPolarHBondContact O-CA 3.36Å; T479-G484 PolarHBondContact O-N 3.44Å; F482-G484 PolarHBondContact O-N 2.84Å; G484-S503 PolarHBondContact O-OG 3.31Å
485	S	97.8	Very high	96.6	Very high	37 Å²	37	40.7 Å²	40.7	26%	0.259	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-97.5	130.5	170.7	-170.3	0	0	0	0	111	I418 S419 S487 S503	I418-S485 CarbonylContact C-O 3.53Å; I418-S485 WeakPolarHBondContact CA-O 3.36Å; I418-S485 VanDerWaalsContact CB-O 3.28Å; I418-S485 WeakPolarHBondContact CB-O 3.07Å; S419-S485 PolarHBondContact N-O 3Å; S419-S485 PolarHBondContact O-N 3.26Å; S485-S487 PolarHBondContact O-N 2.71Å; S485-S487 PolarHBondContact OG-N 3.38Å; S485-S487 PolarHBondContact OG-O 3.32Å; S485-S503 VanDerWaalsContact CA-OG 3.32Å; S485-S503 WeakPolarHBondContact CA-OG 3.24Å
486	I	97.3	Very high	96.5	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.015	21%	0.212	C	C	.	.	S	Bend	trans	-76.9	-6.3	174	62.8	150.8	0	0	0	114.1	D417 Y476 T479 L492 K496 Y499 S503	D417-I486 CarbonylContact O-C 3.54Å; D417-I486 VanDerWaalsContact O-O 3.09Å; Y476-I486 HydrophobicContact CD1-CB 3.76Å; Y476-I486 HydrophobicContact CD1-CD1 4.4Å; Y476-I486 HydrophobicContact CD1-CG2 3.53Å; Y476-I486 HydrophobicContact CE1-CB 4.07Å; Y476-I486 HydrophobicContact CE1-CD1 4.4Å; Y476-I486 HydrophobicContact CE1-CG2 4.34Å; Y476-I486 HydrophobicContact CG-CG2 4.27Å; T479-I486 HydrophobicContact CG2-CG2 4.06Å; I486-L492 HydrophobicContact CD1-CD2 4.38Å; I486-K496 PolarHBondContact O-NZ 3.38Å; I486-Y499 VanDerWaalsContact CD1-CB 3.49Å; I486-Y499 WeakPolarHBondContact CD1-O 3.38Å; I486-S503 PolarHBondContact N-OG 3.2Å
487	S	97	Very high	96.4	Very high	15 Å²	15	41.5 Å²	41.5	11%	0.105	21%	0.213	C	C	.	.			trans	-148.8	107.4	173.2	-143.3	0	0	0	0	108.5	D417 S485 G491 K496	D417-S487 WeakPolarHBondContact O-CA 3.41Å; D417-S487 PolarHBondContact O-N 2.8Å; S485-S487 PolarHBondContact O-N 2.71Å; S485-S487 PolarHBondContact OG-N 3.38Å; S485-S487 PolarHBondContact OG-O 3.32Å; S487-G491 VanDerWaalsContact CB-O 3.28Å; S487-G491 WeakPolarHBondContact CB-O 3.49Å; S487-G491 PolarHBondContact OG-N 2.85Å; S487-G491 PolarHBondContact OG-O 3Å; S487-K496 PolarHBondContact OG-NZ 3.01Å
488	A	95.4	Very high	96.3	Very high	34 Å²	34	38.9 Å²	38.9	28%	0.281	20%	0.202	S	C	.	.	S	Bend	trans	-79	-47.9	-178.7	0	0	0	0	0	111	D417 S419 N453	D417-A488 PolarHBondContact O-N 3.17Å; D417-A488 PolarHBondContact OD2-N 3.39Å; D417-A488 VanDerWaalsContact OD2-N 3.1Å; S419-A488 WeakPolarHBondContact OG-CA 3.3Å; S419-A488 WeakPolarHBondContact OG-CB 3.49Å; N453-A488 HydrophobicContact CB-CB 4.13Å; N453-A488 WeakPolarHBondContact OD1-CB 3.28Å
489	E	92	Very high	96.2	Very high	30 Å²	30	39.5 Å²	39.5	14%	0.14	21%	0.205	C	C	.	.	S	Bend	trans	-131.1	-32.9	-170.2	-65.1	178.8	-163.1	0	0	112.8	G224 D417 H448 N453 G491	G224-E489 PolarHBondContact N-OE2 3.33Å; D417-E489 PolarHBondContact OD2-N 2.9Å; H448-E489 IonicContact CD2-OE1 2.71Å; H448-E489 IonicContact NE2-OE1 3.61Å; N453-E489 PolarHBondContact ND2-OE1 2.71Å; E489-G491 VanDerWaalsContact C-N 3.26Å; E489-G491 PolarHBondContact O-N 2.82Å
490	H	94.4	Very high	96.1	Very high	49 Å²	49	39.7 Å²	39.7	23%	0.227	21%	0.206	C	C	.	.	S	Bend	trans	-76.7	-7.6	-169.7	-61.9	153.5	0	0	0	115	V150 D417 H455	V150-H490 HydrophobicContact CG1-CB 4.02Å; V150-H490 WeakPolarHBondContact CG2-O 3.42Å; D417-H490 VanDerWaalsContact CB-CE1 3.48Å; D417-H490 WeakPolarHBondContact CB-CE1 3.35Å; D417-H490 WeakPolarHBondContact CB-ND1 3.44Å; D417-H490 IonicContact OD2-CG 3.22Å; D417-H490 PolarHBondContact OD2-N 3.13Å; D417-H490 IonicContact OD2-ND1 2.86Å; H455-H490 AromaticContact CE1-CE1 3.9Å; H455-H490 AromaticContact CE1-NE2 3.98Å; H455-H490 AromaticContact ND1-CE1 3.92Å
491	G	96.6	Very high	96.1	Very high	14 Å²	14	41.2 Å²	41.2	14%	0.144	21%	0.205	C	C	.	.			trans	79.3	-170.8	-176.8	0	0	0	0	0	113.9	V150 E273 S487 E489	V150-G491 WeakPolarHBondContact CG1-O 3.41Å; E273-G491 WeakPolarHBondContact OE1-CA 3.1Å; S487-G491 VanDerWaalsContact CB-O 3.28Å; S487-G491 WeakPolarHBondContact CB-O 3.49Å; S487-G491 PolarHBondContact OG-N 2.85Å; S487-G491 PolarHBondContact OG-O 3Å; E489-G491 VanDerWaalsContact C-N 3.26Å; E489-G491 PolarHBondContact O-N 2.82Å
492	L	97.3	Very high	96.1	Very high	28 Å²	28	37 Å²	37	15%	0.147	19%	0.185	C	C	.	.			trans	-101.1	-40.6	-179.4	-65.9	179.2	0	0	0	113.1	E273 I486 K496 I500	E273-L492 PolarHBondContact OE1-N 3.11Å; I486-L492 HydrophobicContact CD1-CD2 4.38Å; L492-K496 HydrophobicContact CB-CB 4.42Å; L492-K496 HydrophobicContact CD2-CB 3.85Å; L492-K496 WeakPolarHBondContact O-CA 3.31Å; L492-K496 WeakPolarHBondContact O-CB 3.36Å; L492-K496 PolarHBondContact O-N 2.82Å; L492-I500 HydrophobicContact CD1-CB 4.08Å; L492-I500 HydrophobicContact CD1-CD1 3.51Å; L492-I500 HydrophobicContact CD1-CG1 3.74Å
493	G	97.1	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	-143.1	-177.5	0	0	0	0	0	114	E273	E273-G493 WeakPolarHBondContact OE2-CA 3.3Å; E273-G493 PolarHBondContact OE2-N 3.18Å
494	L	96.4	Very high	96.2	Very high	21 Å²	21	33 Å²	33	11%	0.11	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-42.7	173.5	-175.7	69	0	0	0	110.6	P68 V110 V150 V156 K496 R497 Y528 K529	P68-L494 HydrophobicContact CG-CD1 4.29Å; V110-L494 HydrophobicContact CG1-CD2 3.88Å; V110-L494 HydrophobicContact CG2-CD2 4.36Å; V150-L494 PolarHBondContact O-N 3.42Å; V156-L494 HydrophobicContact CG2-CD1 3.75Å; V156-L494 HydrophobicContact CG2-CD2 3.99Å; V156-L494 HydrophobicContact CG2-CG 4.46Å; L494-K496 PolarHBondContact O-N 3.02Å; L494-R497 VanDerWaalsContact CD1-NH1 3.29Å; L494-R497 PolarHBondContact O-NH1 3.3Å; L494-Y528 WeakPolarHBondContact CD1-O 3.26Å; L494-K529 HydrophobicContact CB-CG 4.09Å; L494-K529 HydrophobicContact CD1-CG 4.35Å
495	K	93.7	Very high	96.2	Very high	71 Å²	71	36 Å²	36	31%	0.309	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-33.9	-166.1	-66.1	-179.7	-163.9	166.8	0	113.3	D105 S109 L149 V150	D105-K495 IonicContact OD2-NZ 3.25Å; D105-K495 PolarHBondContact OD2-NZ 2.92Å; S109-K495 VanDerWaalsContact OG-CE 3.26Å; S109-K495 WeakPolarHBondContact OG-CE 3.43Å; S109-K495 PolarHBondContact OG-NZ 2.7Å; L149-K495 PolarHBondContact O-NZ 3.49Å; V150-K495 WeakPolarHBondContact O-CG 3.34Å; V150-K495 PolarHBondContact O-N 2.92Å
496	K	95.3	Very high	96.2	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.048	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-3.2	-171.6	-55.1	-178.1	179.8	-174.7	0	115.2	V150 I486 S487 L492 L494 N498 Y499	V150-K496 HydrophobicContact CG1-CD 4.2Å; V150-K496 HydrophobicContact CG1-CG 4.45Å; I486-K496 PolarHBondContact O-NZ 3.38Å; S487-K496 PolarHBondContact OG-NZ 3.01Å; L492-K496 HydrophobicContact CB-CB 4.42Å; L492-K496 HydrophobicContact CD2-CB 3.85Å; L492-K496 WeakPolarHBondContact O-CA 3.31Å; L492-K496 WeakPolarHBondContact O-CB 3.36Å; L492-K496 PolarHBondContact O-N 2.82Å; L494-K496 PolarHBondContact O-N 3.02Å; K496-N498 VanDerWaalsContact C-N 3.28Å; K496-N498 PolarHBondContact O-N 2.8Å; K496-N498 VanDerWaalsContact O-N 3.15Å; K496-Y499 PolarHBondContact O-N 2.65Å
497	R	95.3	Very high	96.2	Very high	10 Å²	10	45.9 Å²	45.9	4%	0.038	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-52	-41.4	-173.8	73.8	-170.9	-173.6	-76.2	-2.4	114.3	L494 Y499 I500 Y528 T530 D533	L494-R497 VanDerWaalsContact CD1-NH1 3.29Å; L494-R497 PolarHBondContact O-NH1 3.3Å; R497-Y499 VanDerWaalsContact C-N 3.29Å; R497-Y499 PolarHBondContact O-N 3.19Å; R497-I500 WeakPolarHBondContact O-CB 3.34Å; R497-I500 WeakPolarHBondContact O-CG2 3.3Å; R497-I500 PolarHBondContact O-N 3.46Å; R497-Y528 WeakPolarHBondContact CD-O 3.43Å; R497-Y528 PolarHBondContact NE-O 3.1Å; R497-T530 WeakPolarHBondContact CA-O 3.41Å; R497-T530 VanDerWaalsContact CB-O 3.23Å; R497-T530 WeakPolarHBondContact CB-O 3.42Å; R497-D533 IonicContact CZ-OD1 3.4Å; R497-D533 IonicContact CZ-OD2 3.58Å; R497-D533 IonicContact NE-OD1 3.67Å; R497-D533 PolarHBondContact NE-OD1 3.3Å; R497-D533 IonicContact NE-OD2 2.87Å; R497-D533 PolarHBondContact NE-OD2 2.98Å; R497-D533 IonicContact NH2-OD1 3.58Å; R497-D533 PolarHBondContact NH2-OD1 3.33Å; R497-D533 IonicContact NH2-OD2 3.27Å; R497-D533 PolarHBondContact NH2-OD2 2.85Å
498	N	95	Very high	96.3	Very high	47 Å²	47	46.9 Å²	46.9	25%	0.251	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-81.2	-8.3	-177.6	-69.5	-28.6	0	0	0	113.2	K496 P532 D533	K496-N498 VanDerWaalsContact C-N 3.28Å; K496-N498 PolarHBondContact O-N 2.8Å; K496-N498 VanDerWaalsContact O-N 3.15Å; N498-P532 WeakPolarHBondContact OD1-CA 3.42Å; N498-D533 PolarHBondContact ND2-OD2 3.34Å; N498-D533 PolarHBondContact OD1-N 2.73Å
499	Y	95.5	Very high	96.4	Very high	30 Å²	30	45.3 Å²	45.3	12%	0.118	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-96.4	0.4	175.6	-60.2	-69.7	0	0	0	112.7	E472 Y476 I486 K496 R497 Y501 Y502	E472-Y499 PolarHBondContact OE2-OH 2.87Å; Y476-Y499 AromaticContact CD2-CD1 3.46Å; Y476-Y499 HydrophobicContact CD2-CD1 3.46Å; Y476-Y499 VanDerWaalsContact CD2-CD1 3.46Å; Y476-Y499 HydrophobicContact CD2-CD2 4.38Å; Y476-Y499 AromaticContact CD2-CE1 3.71Å; Y476-Y499 HydrophobicContact CD2-CE1 3.71Å; Y476-Y499 AromaticContact CD2-CG 3.83Å; Y476-Y499 HydrophobicContact CD2-CG 3.83Å; Y476-Y499 AromaticContact CE2-CD1 3.57Å; Y476-Y499 HydrophobicContact CE2-CD1 3.57Å; Y476-Y499 AromaticContact CE2-CD2 3.68Å; Y476-Y499 HydrophobicContact CE2-CD2 3.68Å; Y476-Y499 AromaticContact CE2-CE1 3.63Å; Y476-Y499 HydrophobicContact CE2-CE1 3.63Å; Y476-Y499 AromaticContact CE2-CE2 3.71Å; Y476-Y499 HydrophobicContact CE2-CE2 3.71Å; Y476-Y499 AromaticContact CE2-CG 3.6Å; Y476-Y499 HydrophobicContact CE2-CG 3.6Å; Y476-Y499 AromaticContact CE2-CZ 3.68Å; Y476-Y499 HydrophobicContact CG-CD1 4.33Å; Y476-Y499 AromaticContact CZ-CD2 3.98Å; I486-Y499 VanDerWaalsContact CD1-CB 3.49Å; I486-Y499 WeakPolarHBondContact CD1-O 3.38Å; K496-Y499 PolarHBondContact O-N 2.65Å; R497-Y499 VanDerWaalsContact C-N 3.29Å; R497-Y499 PolarHBondContact O-N 3.19Å; Y499-Y501 PolarHBondContact O-N 2.81Å; Y499-Y502 HydrophobicContact CD1-CD2 4.28Å; Y499-Y502 AromaticContact CD1-CE2 3.93Å; Y499-Y502 HydrophobicContact CD1-CE2 3.93Å; Y499-Y502 WeakPolarHBondContact O-CD2 3.44Å; Y499-Y502 PolarHBondContact O-N 3.35Å; Y499-Y502 VanDerWaalsContact O-N 3.09Å
500	I	96.8	Very high	96.7	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-52.2	-32.3	-176.2	-167.3	171.3	0	0	0	114	L492 R497 Y502 S503 K504 V509 M512 P532	L492-I500 HydrophobicContact CD1-CB 4.08Å; L492-I500 HydrophobicContact CD1-CD1 3.51Å; L492-I500 HydrophobicContact CD1-CG1 3.74Å; R497-I500 WeakPolarHBondContact O-CB 3.34Å; R497-I500 WeakPolarHBondContact O-CG2 3.3Å; R497-I500 PolarHBondContact O-N 3.46Å; I500-Y502 PolarHBondContact O-N 3.26Å; I500-S503 PolarHBondContact O-N 2.74Å; I500-K504 HydrophobicContact CD1-CG 4.46Å; I500-K504 HydrophobicContact CG1-CB 4.11Å; I500-K504 HydrophobicContact CG1-CG 3.94Å; I500-K504 PolarHBondContact O-N 3.01Å; I500-V509 HydrophobicContact CD1-CG1 4.44Å; I500-V509 HydrophobicContact CD1-CG2 3.84Å; I500-V509 HydrophobicContact CG1-CG2 4.1Å; I500-V509 HydrophobicContact CG2-CG1 4.5Å; I500-V509 HydrophobicContact CG2-CG2 4.18Å; I500-M512 HydrophobicContact CD1-SD 4.25Å; I500-P532 HydrophobicContact CG2-CB 4.2Å; I500-P532 HydrophobicContact CG2-CG 3.9Å
501	Y	97.2	Very high	96.9	Very high	64 Å²	64	47.1 Å²	47.1	25%	0.251	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-72	-10.6	-175.7	-61	-64.2	0	0	0	114.6	Y499 S503 K504 R506 V509 P532 D534	Y499-Y501 PolarHBondContact O-N 2.81Å; Y501-S503 PolarHBondContact O-N 3.32Å; Y501-K504 WeakPolarHBondContact CA-O 2.93Å; Y501-R506 HydrophobicContact CD1-CG 3.99Å; Y501-R506 HydrophobicContact CE1-CB 4.43Å; Y501-R506 HydrophobicContact CE1-CG 3.81Å; Y501-V509 HydrophobicContact CD1-CG2 4.07Å; Y501-V509 HydrophobicContact CE1-CB 3.86Å; Y501-V509 HydrophobicContact CE1-CG1 3.96Å; Y501-V509 HydrophobicContact CE1-CG2 3.78Å; Y501-P532 HydrophobicContact CE2-CB 4.13Å; Y501-P532 HydrophobicContact CE2-CG 3.93Å; Y501-P532 WeakPolarHBondContact OH-CG 3.45Å; Y501-D534 WeakPolarHBondContact CE2-OD1 3.37Å; Y501-D534 PolarHBondContact OH-OD1 2.67Å
502	Y	97.8	Very high	97	Very high	71 Å²	71	49.4 Å²	49.4	28%	0.278	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-70	-19.8	168.9	-73.7	-77.5	0	0	0	112.3	P473 Y476 E477 A480 Y499 I500	P473-Y502 WeakPolarHBondContact CB-OH 3.28Å; Y476-Y502 HydrophobicContact CG-CD2 4.34Å; Y476-Y502 WeakPolarHBondContact O-CD1 3.38Å; E477-Y502 HydrophobicContact CB-CE1 4.37Å; E477-Y502 HydrophobicContact CG-CE1 3.62Å; A480-Y502 HydrophobicContact CB-CD1 3.74Å; A480-Y502 HydrophobicContact CB-CG 4.44Å; A480-Y502 VanDerWaalsContact CB-O 3.3Å; A480-Y502 WeakPolarHBondContact CB-O 3.49Å; Y499-Y502 HydrophobicContact CD1-CD2 4.28Å; Y499-Y502 AromaticContact CD1-CE2 3.93Å; Y499-Y502 HydrophobicContact CD1-CE2 3.93Å; Y499-Y502 WeakPolarHBondContact O-CD2 3.44Å; Y499-Y502 PolarHBondContact O-N 3.35Å; Y499-Y502 VanDerWaalsContact O-N 3.09Å; I500-Y502 PolarHBondContact O-N 3.26Å
503	S	98.1	Very high	97	Very high	40 Å²	40	48.3 Å²	48.3	28%	0.28	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	-12.4	-178.6	-58.3	0	0	0	0	114.4	G484 S485 I486 I500 Y501	G484-S503 PolarHBondContact O-OG 3.31Å; S485-S503 VanDerWaalsContact CA-OG 3.32Å; S485-S503 WeakPolarHBondContact CA-OG 3.24Å; I486-S503 PolarHBondContact N-OG 3.2Å; I500-S503 PolarHBondContact O-N 2.74Å; Y501-S503 PolarHBondContact O-N 3.32Å
504	K	97.7	Very high	97.1	Very high	104 Å²	104	55.7 Å²	55.7	45%	0.452	29%	0.285	S	S	.	.	S	Bend	trans	-128.4	140.4	-179.7	-60.2	-67.5	179.5	170.4	0	111.4	I500 Y501 V509 M512	I500-K504 HydrophobicContact CD1-CG 4.46Å; I500-K504 HydrophobicContact CG1-CB 4.11Å; I500-K504 HydrophobicContact CG1-CG 3.94Å; I500-K504 PolarHBondContact O-N 3.01Å; Y501-K504 WeakPolarHBondContact CA-O 2.93Å; K504-V509 HydrophobicContact CB-CG2 3.69Å; K504-M512 HydrophobicContact CD-CE 4.27Å; K504-M512 HydrophobicContact CG-CE 4.48Å
505	S	97.2	Very high	97.2	Very high	71 Å²	71	58.2 Å²	58.2	50%	0.497	30%	0.297	S	S	.	.			trans	-71.2	151.8	173.3	71.1	0	0	0	0	110.9	P507 A508 V509	S505-P507 VanDerWaalsContact C-N 3.34Å; S505-A508 PolarHBondContact O-N 3.42Å; S505-A508 VanDerWaalsContact O-N 3.11Å; S505-A508 PolarHBondContact OG-N 2.94Å; S505-V509 PolarHBondContact O-N 2.87Å; S505-V509 VanDerWaalsContact O-N 3.13Å
506	R	96.9	Very high	97.4	Very high	157 Å²	157	56.2 Å²	56.2	59%	0.592	29%	0.289	S	S	*	.	H	α-helix	trans	-53.7	-42.6	175.4	-68.3	-173.9	175.6	-83	1.9	113.4	Y501 A508 V509 A510 D534	Y501-R506 HydrophobicContact CD1-CG 3.99Å; Y501-R506 HydrophobicContact CE1-CB 4.43Å; Y501-R506 HydrophobicContact CE1-CG 3.81Å; R506-A508 PolarHBondContact O-N 3.48Å; R506-V509 PolarHBondContact O-N 2.77Å; R506-A510 WeakPolarHBondContact O-CB 3.18Å; R506-A510 PolarHBondContact O-N 3.24Å; R506-D534 IonicContact NH1-OD2 3.96Å; R506-D534 PolarHBondContact NH1-OD2 3.04Å
507	P	97.9	Very high	97.6	Very high	92 Å²	92	60.1 Å²	60.1	60%	0.597	31%	0.314	S	S	*	.	H	α-helix	trans	-60.2	-40	175.6	-26.6	36.2	0	0	0	114	S505 A510 V511	S505-P507 VanDerWaalsContact C-N 3.34Å; P507-A510 PolarHBondContact O-N 3.41Å; P507-V511 WeakPolarHBondContact O-CG2 3.45Å; P507-V511 PolarHBondContact O-N 2.8Å; P507-V511 VanDerWaalsContact O-N 3.09Å
508	A	98.1	Very high	97.7	Very high	36 Å²	36	66.5 Å²	66.5	30%	0.298	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-45.7	178.1	0	0	0	0	0	111.2	S505 R506 A510 V511 M512	S505-A508 PolarHBondContact O-N 3.42Å; S505-A508 VanDerWaalsContact O-N 3.11Å; S505-A508 PolarHBondContact OG-N 2.94Å; R506-A508 PolarHBondContact O-N 3.48Å; A508-A510 VanDerWaalsContact C-N 3.33Å; A508-A510 PolarHBondContact O-N 2.97Å; A508-V511 PolarHBondContact O-N 2.94Å; A508-M512 WeakPolarHBondContact O-CG 3.24Å; A508-M512 PolarHBondContact O-N 3.19Å; A508-M512 VanDerWaalsContact O-N 3.09Å
509	V	98.3	Very high	97.9	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-39	176.9	179.2	0	0	0	0	111.5	I500 Y501 K504 S505 R506 V511 M512 G513 P532 L535	I500-V509 HydrophobicContact CD1-CG1 4.44Å; I500-V509 HydrophobicContact CD1-CG2 3.84Å; I500-V509 HydrophobicContact CG1-CG2 4.1Å; I500-V509 HydrophobicContact CG2-CG1 4.5Å; I500-V509 HydrophobicContact CG2-CG2 4.18Å; Y501-V509 HydrophobicContact CD1-CG2 4.07Å; Y501-V509 HydrophobicContact CE1-CB 3.86Å; Y501-V509 HydrophobicContact CE1-CG1 3.96Å; Y501-V509 HydrophobicContact CE1-CG2 3.78Å; K504-V509 HydrophobicContact CB-CG2 3.69Å; S505-V509 PolarHBondContact O-N 2.87Å; S505-V509 VanDerWaalsContact O-N 3.13Å; R506-V509 PolarHBondContact O-N 2.77Å; V509-V511 VanDerWaalsContact C-N 3.32Å; V509-V511 PolarHBondContact O-N 3.2Å; V509-M512 WeakPolarHBondContact O-CB 3.19Å; V509-M512 PolarHBondContact O-N 2.91Å; V509-G513 PolarHBondContact O-N 3.4Å; V509-P532 HydrophobicContact CG1-CG 3.85Å; V509-L535 HydrophobicContact CG1-CD1 3.93Å
510	A	97.9	Very high	98	Very high	45 Å²	45	64.6 Å²	64.6	37%	0.372	34%	0.34	S	S	.	.	H	α-helix	trans	-62.3	-37.2	175.3	0	0	0	0	0	112.6	R506 P507 A508 G513 K514	R506-A510 WeakPolarHBondContact O-CB 3.18Å; R506-A510 PolarHBondContact O-N 3.24Å; P507-A510 PolarHBondContact O-N 3.41Å; A508-A510 VanDerWaalsContact C-N 3.33Å; A508-A510 PolarHBondContact O-N 2.97Å; A510-G513 PolarHBondContact O-N 3.42Å; A510-K514 WeakPolarHBondContact O-CG 3.45Å; A510-K514 PolarHBondContact O-N 3.41Å
511	V	98.5	Very high	98.1	Very high	73 Å²	73	68.6 Å²	68.6	44%	0.442	37%	0.366	S	S	.	.	H	α-helix	trans	-66.7	-41.4	174	171.7	0	0	0	0	111.3	P507 A508 V509 G513 K514 M515	P507-V511 WeakPolarHBondContact O-CG2 3.45Å; P507-V511 PolarHBondContact O-N 2.8Å; P507-V511 VanDerWaalsContact O-N 3.09Å; A508-V511 PolarHBondContact O-N 2.94Å; V509-V511 VanDerWaalsContact C-N 3.32Å; V509-V511 PolarHBondContact O-N 3.2Å; V511-G513 PolarHBondContact O-N 3.35Å; V511-K514 PolarHBondContact O-N 2.81Å; V511-K514 VanDerWaalsContact O-N 3.16Å; V511-M515 HydrophobicContact CG1-CE 3.85Å; V511-M515 HydrophobicContact CG1-SD 4.43Å; V511-M515 WeakPolarHBondContact O-CG 3.33Å; V511-M515 PolarHBondContact O-N 2.91Å
512	M	98.6	Very high	98.2	Very high	61 Å²	61	69.6 Å²	69.6	30%	0.3	37%	0.371	S	S	.	.	H	α-helix	trans	-57.9	-41.5	173.1	-61.6	167.7	-175	0	0	111.1	I500 K504 A508 V509 M515 K516 L531	I500-M512 HydrophobicContact CD1-SD 4.25Å; K504-M512 HydrophobicContact CD-CE 4.27Å; K504-M512 HydrophobicContact CG-CE 4.48Å; A508-M512 WeakPolarHBondContact O-CG 3.24Å; A508-M512 PolarHBondContact O-N 3.19Å; A508-M512 VanDerWaalsContact O-N 3.09Å; V509-M512 WeakPolarHBondContact O-CB 3.19Å; V509-M512 PolarHBondContact O-N 2.91Å; M512-M515 PolarHBondContact O-N 3.3Å; M512-K516 PolarHBondContact O-N 3.5Å; M512-L531 HydrophobicContact CB-CD1 4.24Å; M512-L531 HydrophobicContact CB-CD2 3.78Å; M512-L531 HydrophobicContact SD-CD2 4.14Å
513	G	98.3	Very high	98.2	Very high	6 Å²	6	67 Å²	67	6%	0.062	37%	0.367	C	S	.	.	H	α-helix	trans	-57.3	-48	173.3	0	0	0	0	0	113.5	V509 A510 V511 M515 K516 T517	V509-G513 PolarHBondContact O-N 3.4Å; A510-G513 PolarHBondContact O-N 3.42Å; V511-G513 PolarHBondContact O-N 3.35Å; G513-M515 VanDerWaalsContact C-N 3.3Å; G513-M515 PolarHBondContact O-N 3.32Å; G513-K516 WeakPolarHBondContact O-CB 3.45Å; G513-K516 PolarHBondContact O-N 3.06Å; G513-K516 VanDerWaalsContact O-N 3.17Å; G513-T517 PolarHBondContact O-N 3.24Å; G513-T517 PolarHBondContact O-OG1 3.23Å
514	K	98.4	Very high	98.2	Very high	154 Å²	154	65.1 Å²	65.1	67%	0.67	35%	0.354	S	S	*	.	H	α-helix	trans	-60.4	-39	176.5	-68.9	175.6	-177.9	-177.1	0	112.5	A510 V511 T517 L518	A510-K514 WeakPolarHBondContact O-CG 3.45Å; A510-K514 PolarHBondContact O-N 3.41Å; V511-K514 PolarHBondContact O-N 2.81Å; V511-K514 VanDerWaalsContact O-N 3.16Å; K514-T517 PolarHBondContact O-N 2.94Å; K514-L518 WeakPolarHBondContact O-CB 3.28Å; K514-L518 PolarHBondContact O-N 2.62Å
515	M	98.5	Very high	98.3	Very high	74 Å²	74	60.2 Å²	60.2	37%	0.365	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-42.7	175.3	-67.7	172.8	173	0	0	111.7	L268 V511 M512 G513 L518 L519	L268-M515 HydrophobicContact CD2-CE 4.18Å; L268-M515 HydrophobicContact CD2-SD 4.05Å; V511-M515 HydrophobicContact CG1-CE 3.85Å; V511-M515 HydrophobicContact CG1-SD 4.43Å; V511-M515 WeakPolarHBondContact O-CG 3.33Å; V511-M515 PolarHBondContact O-N 2.91Å; M512-M515 PolarHBondContact O-N 3.3Å; G513-M515 VanDerWaalsContact C-N 3.3Å; G513-M515 PolarHBondContact O-N 3.32Å; M515-L518 PolarHBondContact O-N 3.27Å; M515-L519 PolarHBondContact O-N 2.81Å
516	K	98.6	Very high	98.4	Very high	29 Å²	29	56.9 Å²	56.9	13%	0.126	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-47.6	174.3	173.9	62.4	-176.7	-177.1	0	111.5	T275 L276 M512 G513 L518 L519 D520 L525 L531	T275-K516 VanDerWaalsContact O-CD 3.32Å; T275-K516 WeakPolarHBondContact O-CD 3.34Å; T275-K516 PolarHBondContact O-NZ 3.5Å; L276-K516 HydrophobicContact CD2-CB 4.09Å; L276-K516 HydrophobicContact CD2-CD 4.09Å; M512-K516 PolarHBondContact O-N 3.5Å; G513-K516 WeakPolarHBondContact O-CB 3.45Å; G513-K516 PolarHBondContact O-N 3.06Å; G513-K516 VanDerWaalsContact O-N 3.17Å; K516-L518 VanDerWaalsContact C-N 3.29Å; K516-L518 PolarHBondContact O-N 3.02Å; K516-L519 PolarHBondContact O-N 3.44Å; K516-D520 HydrophobicContact CD-CB 4.23Å; K516-D520 WeakPolarHBondContact CE-OD2 3.11Å; K516-D520 IonicContact NZ-OD2 2.85Å; K516-D520 PolarHBondContact NZ-OD2 3.4Å; K516-D520 CarbonylContact O-C 3.57Å; K516-D520 WeakPolarHBondContact O-CA 3.31Å; K516-D520 PolarHBondContact O-N 3.24Å; K516-L525 PolarHBondContact NZ-O 2.76Å; K516-L531 HydrophobicContact CB-CD1 4.04Å
517	T	98.1	Very high	98.4	Very high	94 Å²	94	49.8 Å²	49.8	58%	0.577	28%	0.283	S	S	*	.	H	α-helix	trans	-62.4	-36.3	177.2	-55.6	0	0	0	0	112.5	G513 K514 P521	G513-T517 PolarHBondContact O-N 3.24Å; G513-T517 PolarHBondContact O-OG1 3.23Å; K514-T517 PolarHBondContact O-N 2.94Å; T517-P521 VanDerWaalsContact O-CA 3.25Å; T517-P521 WeakPolarHBondContact O-CA 3.1Å; T517-P521 WeakPolarHBondContact O-CB 3.33Å
518	L	98.4	Very high	98.4	Very high	143 Å²	143	46.3 Å²	46.3	75%	0.749	26%	0.258	S	S	*	.	H	α-helix	trans	-66.3	-45.5	178.1	178.2	65.3	0	0	0	112.3	K514 M515 K516	K514-L518 WeakPolarHBondContact O-CB 3.28Å; K514-L518 PolarHBondContact O-N 2.62Å; M515-L518 PolarHBondContact O-N 3.27Å; K516-L518 VanDerWaalsContact C-N 3.29Å; K516-L518 PolarHBondContact O-N 3.02Å
519	L	98.6	Very high	98.4	Very high	36 Å²	36	45.1 Å²	45.1	19%	0.188	25%	0.246	C	C	.	.	H	α-helix	trans	-91.4	-22	-172.5	-66.2	172.2	0	0	0	113.8	L244 F269 L276 M515 K516	L244-L519 HydrophobicContact CD1-CD2 4.34Å; L244-L519 HydrophobicContact CD2-CD2 4.34Å; F269-L519 HydrophobicContact CE1-CD1 4.44Å; F269-L519 HydrophobicContact CZ-CD1 4.49Å; L276-L519 HydrophobicContact CB-CD1 3.97Å; L276-L519 HydrophobicContact CD1-CD1 4.14Å; L276-L519 HydrophobicContact CD2-CB 4.48Å; L276-L519 HydrophobicContact CD2-CD1 4.23Å; L276-L519 HydrophobicContact CG-CD1 4.33Å; M515-L519 PolarHBondContact O-N 2.81Å; K516-L519 PolarHBondContact O-N 3.44Å
520	D	98.8	Very high	98.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.011	25%	0.25	C	C	.	.			trans	-144.4	75.1	176	-180	15	0	0	0	110.4	A245 K516 K522 G523 I524 L525	A245-D520 HydrophobicContact CB-CB 3.73Å; A245-D520 WeakPolarHBondContact CB-OD1 3.27Å; K516-D520 HydrophobicContact CD-CB 4.23Å; K516-D520 WeakPolarHBondContact CE-OD2 3.11Å; K516-D520 IonicContact NZ-OD2 2.85Å; K516-D520 PolarHBondContact NZ-OD2 3.4Å; K516-D520 CarbonylContact O-C 3.57Å; K516-D520 WeakPolarHBondContact O-CA 3.31Å; K516-D520 PolarHBondContact O-N 3.24Å; D520-K522 PolarHBondContact O-N 3.21Å; D520-G523 PolarHBondContact O-N 3.29Å; D520-G523 PolarHBondContact OD1-N 3.23Å; D520-G523 WeakPolarHBondContact OD2-CA 3.36Å; D520-I524 PolarHBondContact OD1-N 3.28Å; D520-I524 VanDerWaalsContact OD1-N 3.09Å; D520-I524 PolarHBondContact OD2-N 2.82Å; D520-L525 WeakPolarHBondContact OD2-CB 3.45Å; D520-L525 PolarHBondContact OD2-N 3.18Å
521	P	98.3	Very high	98.2	Very high	89 Å²	89	44.8 Å²	44.8	58%	0.578	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.1	-175.8	24.9	-34.9	0	0	0	113.7	T517	T517-P521 VanDerWaalsContact O-CA 3.25Å; T517-P521 WeakPolarHBondContact O-CA 3.1Å; T517-P521 WeakPolarHBondContact O-CB 3.33Å
522	K	98.6	Very high	98.1	Very high	84 Å²	84	41.6 Å²	41.6	37%	0.365	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-10.4	175.6	-64.8	-166.7	-175.4	-176.2	0	113.1	H134 D520 I524	H134-K522 WeakPolarHBondContact NE2-CE 3.2Å; H134-K522 PolarHBondContact O-NZ 3.34Å; D520-K522 PolarHBondContact O-N 3.21Å; K522-I524 HydrophobicContact CB-CG2 3.84Å; K522-I524 PolarHBondContact O-N 2.8Å
523	G	98.4	Very high	97.7	Very high	18 Å²	18	42.8 Å²	42.8	19%	0.186	23%	0.227	C	C	.	.			trans	64.6	25.9	-177.7	0	0	0	0	0	113.6	F73 D520 L525	F73-G523 VanDerWaalsContact CZ-O 3.28Å; F73-G523 WeakPolarHBondContact CZ-O 3.47Å; D520-G523 PolarHBondContact O-N 3.29Å; D520-G523 PolarHBondContact OD1-N 3.23Å; D520-G523 WeakPolarHBondContact OD2-CA 3.36Å; G523-L525 VanDerWaalsContact C-N 3.34Å
524	I	98.9	Very high	97.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.			trans	-73.4	-26.4	-176.4	64	169.9	0	0	0	112.7	F73 C133 H134 A139 V140 A245 D520 K522 N526	F73-I524 HydrophobicContact CD1-CG2 4.44Å; F73-I524 HydrophobicContact CE1-CG2 4.19Å; C133-I524 HydrophobicContact CB-CD1 4.38Å; H134-I524 HydrophobicContact CB-CD1 3.89Å; A139-I524 CarbonylContact C-O 3.52Å; A139-I524 WeakPolarHBondContact CA-O 3.44Å; V140-I524 PolarHBondContact N-O 2.98Å; A245-I524 HydrophobicContact CB-CD1 4.28Å; A245-I524 HydrophobicContact CB-CG1 4.09Å; A245-I524 WeakPolarHBondContact O-CD1 2.97Å; D520-I524 PolarHBondContact OD1-N 3.28Å; D520-I524 VanDerWaalsContact OD1-N 3.09Å; D520-I524 PolarHBondContact OD2-N 2.82Å; K522-I524 HydrophobicContact CB-CG2 3.84Å; K522-I524 PolarHBondContact O-N 2.8Å; I524-N526 PolarHBondContact O-N 3.49Å
525	L	98.9	Very high	96.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-85	114.4	-176.9	-68.2	-175.2	0	0	0	111	L130 V140 A245 V278 K516 D520 G523	L130-L525 HydrophobicContact CD1-CD2 4.32Å; L130-L525 HydrophobicContact CD2-CD2 3.73Å; V140-L525 HydrophobicContact CB-CD2 4.29Å; A245-L525 HydrophobicContact CB-CD1 3.75Å; A245-L525 HydrophobicContact CB-CG 3.84Å; V278-L525 HydrophobicContact CG2-CD2 4.34Å; K516-L525 PolarHBondContact NZ-O 2.76Å; D520-L525 WeakPolarHBondContact OD2-CB 3.45Å; D520-L525 PolarHBondContact OD2-N 3.18Å; G523-L525 VanDerWaalsContact C-N 3.34Å
526	N	98.7	Very high	94.6	Very high	2 Å²	2	51 Å²	51	1%	0.011	27%	0.265	C	S	.	.	S	Bend	trans	47.2	56.3	176.4	-151.5	18	0	0	0	113.3	V140 N141 G152 E273 T275 I524 K529	V140-N526 WeakPolarHBondContact O-CA 3.43Å; V140-N526 PolarHBondContact O-N 3.18Å; N141-N526 PolarHBondContact OD1-OD1 2.92Å; N141-N526 VanDerWaalsContact OD1-OD1 3.13Å; G152-N526 PolarHBondContact O-ND2 2.89Å; G152-N526 PolarHBondContact O-OD1 2.66Å; E273-N526 PolarHBondContact O-ND2 3.36Å; T275-N526 HydrophobicContact CG2-CB 4.22Å; I524-N526 PolarHBondContact O-N 3.49Å; N526-K529 WeakPolarHBondContact OD1-CD 3.48Å; N526-K529 PolarHBondContact OD1-NZ 3.37Å
527	P	98.3	Very high	94.4	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.045	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	168.3	-176.5	28.7	-37	0	0	0	112.2	L71 F73 A139 E159 K529	L71-P527 HydrophobicContact CD1-CB 4.47Å; F73-P527 HydrophobicContact CE2-CB 3.67Å; F73-P527 HydrophobicContact CE2-CG 3.73Å; F73-P527 HydrophobicContact CZ-CB 3.8Å; F73-P527 HydrophobicContact CZ-CG 4.1Å; A139-P527 HydrophobicContact CB-CG 3.86Å; E159-P527 HydrophobicContact CG-CG 3.79Å; P527-K529 PolarHBondContact O-N 2.95Å; P527-K529 VanDerWaalsContact O-N 3.1Å
528	Y	97.6	Very high	94.2	Very high	19 Å²	19	49.8 Å²	49.8	8%	0.075	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	6.1	-178.1	-40.3	-67.9	0	0	0	114.3	P68 R69 R70 L71 V156 Y157 E159 L494 R497	P68-Y528 HydrophobicContact CB-CD1 4.1Å; P68-Y528 HydrophobicContact CG-CD1 3.82Å; P68-Y528 HydrophobicContact CG-CG 3.96Å; R69-Y528 WeakPolarHBondContact O-CE1 3.49Å; R70-Y528 WeakPolarHBondContact CA-OH 3.38Å; R70-Y528 WeakPolarHBondContact CG-OH 3.16Å; L71-Y528 HydrophobicContact CB-CE1 4.15Å; L71-Y528 HydrophobicContact CD1-CE1 4.07Å; L71-Y528 HydrophobicContact CG-CE1 3.76Å; L71-Y528 PolarHBondContact N-OH 3.45Å; V156-Y528 HydrophobicContact CB-CD2 3.68Å; V156-Y528 HydrophobicContact CB-CE2 4.2Å; V156-Y528 HydrophobicContact CB-CG 4.3Å; V156-Y528 HydrophobicContact CG1-CD2 4.36Å; V156-Y528 HydrophobicContact CG2-CD2 3.69Å; V156-Y528 HydrophobicContact CG2-CG 4.09Å; Y157-Y528 HydrophobicContact CD2-CE1 4.34Å; Y157-Y528 AromaticContact CD2-CE2 3.8Å; Y157-Y528 HydrophobicContact CD2-CE2 3.8Å; Y157-Y528 AromaticContact CD2-CZ 3.71Å; Y157-Y528 HydrophobicContact CE2-CE1 4.26Å; Y157-Y528 HydrophobicContact CE2-CE2 4.46Å; E159-Y528 HydrophobicContact CG-CE2 4.44Å; E159-Y528 VanDerWaalsContact OE1-CD2 3.24Å; E159-Y528 WeakPolarHBondContact OE1-CD2 3.41Å; E159-Y528 WeakPolarHBondContact OE1-CE2 3.49Å; L494-Y528 WeakPolarHBondContact CD1-O 3.26Å; R497-Y528 WeakPolarHBondContact CD-O 3.43Å; R497-Y528 PolarHBondContact NE-O 3.1Å
529	K	97.4	Very high	94	Very high	12 Å²	12	44.7 Å²	44.7	5%	0.052	23%	0.228	C	C	.	.			trans	-146.8	167.7	-177.1	-51	152.2	-176.3	174.7	0	106.9	N141 G151 G152 V154 L494 N526 P527	N141-K529 PolarHBondContact OD1-NZ 2.82Å; G151-K529 VanDerWaalsContact O-CE 3.24Å; G151-K529 WeakPolarHBondContact O-CE 3.46Å; G152-K529 PolarHBondContact O-NZ 3.39Å; V154-K529 PolarHBondContact O-NZ 3.01Å; L494-K529 HydrophobicContact CB-CG 4.09Å; L494-K529 HydrophobicContact CD1-CG 4.35Å; N526-K529 WeakPolarHBondContact OD1-CD 3.48Å; N526-K529 PolarHBondContact OD1-NZ 3.37Å; P527-K529 PolarHBondContact O-N 2.95Å; P527-K529 VanDerWaalsContact O-N 3.1Å
530	T	96.3	Very high	93.7	Very high	11 Å²	11	45.2 Å²	45.2	7%	0.067	23%	0.23	C	C	.	.	S	Bend	cis	-93.6	-3.4	-24.1	46.9	0	0	0	0	111.7	E273 T275 R497	E273-T530 HydrophobicContact CB-CG2 3.59Å; E273-T530 VanDerWaalsContact CD-CG2 3.44Å; E273-T530 HydrophobicContact CG-CG2 4.06Å; E273-T530 VanDerWaalsContact OE2-CG2 3.24Å; E273-T530 WeakPolarHBondContact OE2-CG2 3.2Å; T275-T530 HydrophobicContact CG2-CG2 4.09Å; R497-T530 WeakPolarHBondContact CA-O 3.41Å; R497-T530 VanDerWaalsContact CB-O 3.23Å; R497-T530 WeakPolarHBondContact CB-O 3.42Å
531	L	96.9	Very high	93.4	Very high	27 Å²	27	47.9 Å²	47.9	14%	0.141	24%	0.244	C	C	.	.	S	Bend	trans	-83.5	156.2	178.7	-60	-178.2	0	0	0	110.4	M512 K516 L535	M512-L531 HydrophobicContact CB-CD1 4.24Å; M512-L531 HydrophobicContact CB-CD2 3.78Å; M512-L531 HydrophobicContact SD-CD2 4.14Å; K516-L531 HydrophobicContact CB-CD1 4.04Å; L531-L535 HydrophobicContact CB-CD2 4.1Å; L531-L535 HydrophobicContact CD1-CD2 3.86Å
532	P	95	Very high	93.1	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.039	22%	0.222	C	C	.	.			trans	-70.7	154.8	-173.5	29.7	-34.7	0	0	0	111.9	N498 I500 Y501 V509 D534 L535	N498-P532 WeakPolarHBondContact OD1-CA 3.42Å; I500-P532 HydrophobicContact CG2-CB 4.2Å; I500-P532 HydrophobicContact CG2-CG 3.9Å; Y501-P532 HydrophobicContact CE2-CB 4.13Å; Y501-P532 HydrophobicContact CE2-CG 3.93Å; Y501-P532 WeakPolarHBondContact OH-CG 3.45Å; V509-P532 HydrophobicContact CG1-CG 3.85Å; P532-D534 WeakPolarHBondContact CB-OD1 3.24Å; P532-D534 WeakPolarHBondContact CG-OD1 3.35Å; P532-D534 PolarHBondContact O-N 3.36Å; P532-L535 HydrophobicContact CG-CB 4.46Å; P532-L535 VanDerWaalsContact O-CB 3.3Å; P532-L535 WeakPolarHBondContact O-CB 3.4Å; P532-L535 PolarHBondContact O-N 3.31Å
533	D	91.1	Very high	92.7	Very high	85 Å²	85	42.4 Å²	42.4	46%	0.455	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.3	-178.6	-57	-34.5	0	0	0	112.7	R497 N498 L535	R497-D533 IonicContact CZ-OD1 3.4Å; R497-D533 IonicContact CZ-OD2 3.58Å; R497-D533 IonicContact NE-OD1 3.67Å; R497-D533 PolarHBondContact NE-OD1 3.3Å; R497-D533 IonicContact NE-OD2 2.87Å; R497-D533 PolarHBondContact NE-OD2 2.98Å; R497-D533 IonicContact NH2-OD1 3.58Å; R497-D533 PolarHBondContact NH2-OD1 3.33Å; R497-D533 IonicContact NH2-OD2 3.27Å; R497-D533 PolarHBondContact NH2-OD2 2.85Å; N498-D533 PolarHBondContact ND2-OD2 3.34Å; N498-D533 PolarHBondContact OD1-N 2.73Å; D533-L535 VanDerWaalsContact C-N 3.29Å
534	D	86.5	Confident	92.2	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.9	-179.1	81.7	-27.7	0	0	0	113.9	Y501 R506 P532 K536	Y501-D534 WeakPolarHBondContact CE2-OD1 3.37Å; Y501-D534 PolarHBondContact OH-OD1 2.67Å; R506-D534 IonicContact NH1-OD2 3.96Å; R506-D534 PolarHBondContact NH1-OD2 3.04Å; P532-D534 WeakPolarHBondContact CB-OD1 3.24Å; P532-D534 WeakPolarHBondContact CG-OD1 3.35Å; P532-D534 PolarHBondContact O-N 3.36Å; D534-K536 PolarHBondContact O-N 3Å; D534-K536 VanDerWaalsContact O-N 3.1Å
535	L	85.3	Confident	91.7	Very high	58 Å²	58	47.9 Å²	47.9	30%	0.304	23%	0.232	S	C	.	.			trans	-64.9	110.4	-179.4	-171.1	74	0	0	0	109.9	V509 L531 P532 D533	V509-L535 HydrophobicContact CG1-CD1 3.93Å; L531-L535 HydrophobicContact CB-CD2 4.1Å; L531-L535 HydrophobicContact CD1-CD2 3.86Å; P532-L535 HydrophobicContact CG-CB 4.46Å; P532-L535 VanDerWaalsContact O-CB 3.3Å; P532-L535 WeakPolarHBondContact O-CB 3.4Å; P532-L535 PolarHBondContact O-N 3.31Å; D533-L535 VanDerWaalsContact C-N 3.29Å
536	K	58.2	Low	91	Very high	271 Å²	271	52.3 Å²	52.3	100%	1.178	25%	0.253	S	S	*	.			trans	-85.1	0	179.7	-68.7	-172	179.4	-176.6	0	113.1	D534	D534-K536 PolarHBondContact O-N 3Å; D534-K536 VanDerWaalsContact O-N 3.1Å

Retrieved 536 of 536 residues in 399.6 ms (Link to these results)

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