A0A060WR13_ONCMY Loading...

Choline dehydrogenase

AlphaFold DB , UniProt , Accession A0A060WR13, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene chdh, Length 610 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	25	Very low	246 Å²	246	129.9 Å²	129.9	100%	1.212	85%	0.849	S	S	*	*				0	78.2	0	-65.1	-176.8	-164	0	0	106.7
2	L	22.5	Very low	24.8	Very low	176 Å²	176	136.8 Å²	136.8	92%	0.921	86%	0.856	S	S	*	*				65.4	128.7	81.9	-98	163.4	0	0	0	115.6
3	S	23.3	Very low	24.8	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	86%	0.857	S	S	*	*			trans	101	105.3	167.2	-152.6	0	0	0	0	114.8
4	A	23.9	Very low	24.9	Very low	89 Å²	89	141.2 Å²	141.2	74%	0.736	86%	0.857	S	S	*	*			cis	80.3	136.5	28.4	0	0	0	0	0	117.1
5	A	24.9	Very low	24.8	Very low	97 Å²	97	136.3 Å²	136.3	80%	0.802	85%	0.846	S	S	*	*			trans	83.3	113.4	163.2	0	0	0	0	0	118.3
6	A	24	Very low	24.9	Very low	98 Å²	98	138.8 Å²	138.8	81%	0.81	85%	0.848	S	S	*	*				74.3	138.3	82.4	0	0	0	0	0	111.3
7	S	24.3	Very low	24.8	Very low	123 Å²	123	134.6 Å²	134.6	86%	0.86	84%	0.839	S	S	*	*			cis	176.1	165.5	37.2	44.2	0	0	0	0	107.7
8	G	23	Very low	24.9	Very low	76 Å²	76	135.7 Å²	135.7	78%	0.784	84%	0.844	S	S	*	*			trans	141.9	85.6	151.1	0	0	0	0	0	118
9	K	25.9	Very low	24.8	Very low	212 Å²	212	132.3 Å²	132.3	92%	0.922	84%	0.838	S	S	*	*			trans	-77.2	139	153.6	-78	178.5	174.5	177.5	0	108.7
10	V	25.8	Very low	24.9	Very low	129 Å²	129	137.7 Å²	137.7	78%	0.782	84%	0.842	S	S	*	*			trans	-134.8	117.6	159.3	-180	0	0	0	0	108.4
11	G	23.7	Very low	24.8	Very low	71 Å²	71	137.5 Å²	137.5	73%	0.732	85%	0.845	S	S	*	*			trans	-88.4	155.8	162.8	0	0	0	0	0	110.4
12	F	23.2	Very low	24.5	Very low	212 Å²	212	131.7 Å²	131.7	93%	0.93	82%	0.823	S	S	*	*			trans	-110.2	123.5	168.2	-110.1	-96.3	0	0	0	108.7
13	N	24.4	Very low	24.6	Very low	162 Å²	162	129.2 Å²	129.2	87%	0.866	82%	0.82	S	S	*	*			trans	-150.4	129.8	165.4	-152.8	9.4	0	0	0	108.5
14	M	25.6	Very low	24.7	Very low	174 Å²	174	127.6 Å²	127.6	86%	0.857	81%	0.813	S	S	*	*			trans	172.6	137.7	154.1	-104.8	-170.7	166.3	0	0	106.9
15	G	24.4	Very low	24.6	Very low	68 Å²	68	134.4 Å²	134.4	70%	0.701	82%	0.82	S	S	*	*			cis	-175.3	-173.5	6	0	0	0	0	0	105.4
16	M	25.7	Very low	24.6	Very low	176 Å²	176	135.5 Å²	135.5	87%	0.867	81%	0.812	S	S	*	*			cis	-173.2	156.7	0.6	-111.2	-165.4	-73.7	0	0	104.6
17	G	22.8	Very low	24.7	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	81%	0.812	S	S	*	*			trans	163.6	54.8	167.2	0	0	0	0	0	119.9
18	V	26.8	Very low	24.8	Very low	153 Å²	153	139 Å²	139	93%	0.927	81%	0.81	S	S	*	*			trans	55.1	132.4	131.8	-161.4	0	0	0	0	118.9
19	G	24.3	Very low	25	Very low	71 Å²	71	141.1 Å²	141.1	73%	0.732	81%	0.813	S	S	*	*			cis	-179.9	151.6	7.7	0	0	0	0	0	108.6
20	R	25.9	Very low	25.6	Very low	240 Å²	240	137 Å²	137	91%	0.906	81%	0.808	S	S	*	*			trans	-86.9	152.4	172.6	-75.7	179.8	169.4	-154.3	-2.2	109.9
21	C	23	Very low	25.8	Very low	135 Å²	135	138.6 Å²	138.6	91%	0.912	81%	0.812	S	S	*	*			trans	-157	144.1	130.9	-128.8	0	0	0	0	112.6
22	V	26.5	Very low	26.1	Very low	124 Å²	124	139 Å²	139	75%	0.752	81%	0.808	S	S	*	*			trans	-103	144.8	-178.8	171.3	0	0	0	0	108.1
23	S	24.6	Very low	26.4	Very low	123 Å²	123	136.1 Å²	136.1	86%	0.86	80%	0.801	S	S	*	*			trans	-154.2	147.4	150.5	57.4	0	0	0	0	111.2
24	A	25.6	Very low	26.5	Very low	78 Å²	78	135 Å²	135	65%	0.645	80%	0.795	S	S	*	*			trans	-125	164.2	-172.7	0	0	0	0	0	110.8
25	W	22.6	Very low	26.7	Very low	232 Å²	232	138.2 Å²	138.2	88%	0.879	80%	0.798	S	S	*	*			trans	77.4	123.4	166	-70.4	83.9	0	0	0	119
26	L	25.3	Very low	27	Very low	121 Å²	121	146.3 Å²	146.3	63%	0.634	81%	0.807	S	S	*	*				-179.5	127.7	104.6	-86.7	-176.2	0	0	0	113.5
27	R	26	Very low	27.2	Very low	216 Å²	216	148.2 Å²	148.2	82%	0.815	81%	0.805	S	S	*	*			trans	46.7	132.2	137.3	-72.7	-175.2	-90.8	-116.4	-2.9	122.6
28	G	25.2	Very low	27.7	Very low	78 Å²	78	152.8 Å²	152.8	80%	0.804	81%	0.813	S	S	*	*			trans	150	100.4	135.2	0	0	0	0	0	117.3
29	S	27.9	Very low	27.9	Very low	121 Å²	121	155.1 Å²	155.1	85%	0.846	81%	0.806	S	S	*	*			trans	-93.7	158	153.1	-65	0	0	0	0	109.9
30	P	39.2	Very low	28.3	Very low	126 Å²	126	158.6 Å²	158.6	82%	0.818	81%	0.808	S	S	*	*				-143.8	163.9	117.7	30.6	-11.9	0	0	0	115.9
31	N	29.3	Very low	28.5	Very low	162 Å²	162	154.7 Å²	154.7	87%	0.866	80%	0.804	S	S	*	*			trans	-54.3	171.5	172.5	-58.4	-40.9	0	0	0	113.1
32	A	29.7	Very low	28.8	Very low	79 Å²	79	152.4 Å²	152.4	65%	0.653	79%	0.789	S	S	*	*			cis	-174.1	158.9	29.5	0	0	0	0	0	112.8
33	L	28.7	Very low	29	Very low	151 Å²	151	151.2 Å²	151.2	79%	0.791	78%	0.784	S	S	*	*			trans	77.2	119.3	136.9	-74	157.6	0	0	0	124.3
34	N	27.7	Very low	29.5	Very low	138 Å²	138	156.8 Å²	156.8	74%	0.738	79%	0.786	S	S	*	*			trans	73.2	113.6	134.9	-89.9	-10.4	0	0	0	121.6
35	R	29.1	Very low	29.7	Very low	243 Å²	243	162.4 Å²	162.4	92%	0.917	79%	0.792	S	S	*	*				177.6	141.6	103.2	-93.1	174.9	-149.4	-147	5.2	112.2
36	R	32	Very low	30.3	Very low	237 Å²	237	156.3 Å²	156.3	89%	0.894	79%	0.785	S	S	*	*			trans	-52	147.8	174.3	-66.1	176.3	176	-179.8	-3.3	113.6
37	R	29.7	Very low	30.6	Very low	216 Å²	216	155.5 Å²	155.5	82%	0.815	79%	0.785	S	S	*	*			trans	-167.2	113.9	139.5	-104.4	169.6	-159.4	-169.5	4.3	109.6	W39	R37-W39 PolarHBondContact O-N 3.45Å
38	D	33.5	Very low	31	Very low	164 Å²	164	151.7 Å²	151.7	88%	0.877	79%	0.786	S	S	*	*			trans	-62.5	124	165.2	-65.3	-48.7	0	0	0	109.1
39	W	29.5	Very low	31.5	Very low	203 Å²	203	153.7 Å²	153.7	77%	0.769	78%	0.783	S	S	*	*			trans	-140	115.6	164.1	-71.8	102.3	0	0	0	108.6	R37 L41	R37-W39 PolarHBondContact O-N 3.45Å; W39-L41 PolarHBondContact O-N 2.86Å
40	D	32.6	Very low	31.7	Very low	144 Å²	144	152 Å²	152	77%	0.77	78%	0.776	S	S	*	*			trans	-51.1	114	164.3	-179.9	6.2	0	0	0	109.7
41	L	30.1	Very low	31.5	Very low	158 Å²	158	156.2 Å²	156.2	83%	0.827	78%	0.781	S	S	*	*			trans	-118.4	77.5	175.4	-74.7	173.4	0	0	0	108.7	W39 P43	W39-L41 PolarHBondContact O-N 2.86Å; L41-P43 WeakPolarHBondContact O-CD 3.37Å
42	S	30.1	Very low	32	Very low	86 Å²	86	153.3 Å²	153.3	60%	0.601	77%	0.773	S	S	*	*			trans	-82.2	112.6	152.5	42.1	0	0	0	0	108.5	R44	S42-R44 PolarHBondContact O-N 3.35Å; S42-R44 VanDerWaalsContact O-N 3.14Å
43	P	31.6	Very low	32.9	Very low	100 Å²	100	154.1 Å²	154.1	65%	0.649	78%	0.775	S	S	*	*			trans	-77.1	105.3	172.8	17.2	-6.9	0	0	0	108.5	L41 Y45	L41-P43 WeakPolarHBondContact O-CD 3.37Å; P43-Y45 VanDerWaalsContact C-N 3.31Å; P43-Y45 HydrophobicContact CB-CD2 4.04Å; P43-Y45 HydrophobicContact CB-CE2 3.91Å; P43-Y45 HydrophobicContact CG-CD2 4.5Å; P43-Y45 HydrophobicContact CG-CE2 4.15Å; P43-Y45 PolarHBondContact O-N 3.13Å
44	R	33.8	Very low	34.8	Very low	240 Å²	240	151.9 Å²	151.9	91%	0.906	77%	0.767	S	S	*	*			trans	-65.9	95.3	157.2	-68.9	-173.7	-171.3	-157.8	2.3	107.6	S42 S46	S42-R44 PolarHBondContact O-N 3.35Å; S42-R44 VanDerWaalsContact O-N 3.14Å; R44-S46 VanDerWaalsContact C-N 3.28Å; R44-S46 PolarHBondContact O-N 3Å
45	Y	30.5	Very low	37.6	Very low	196 Å²	196	148.8 Å²	148.8	77%	0.769	75%	0.748	S	S	*	*			trans	-69.5	88.9	165.4	-84.7	-88.3	0	0	0	108.9	P43 T47	P43-Y45 VanDerWaalsContact C-N 3.31Å; P43-Y45 HydrophobicContact CB-CD2 4.04Å; P43-Y45 HydrophobicContact CB-CE2 3.91Å; P43-Y45 HydrophobicContact CG-CD2 4.5Å; P43-Y45 HydrophobicContact CG-CE2 4.15Å; P43-Y45 PolarHBondContact O-N 3.13Å; Y45-T47 HydrophobicContact CD1-CG2 4.5Å; Y45-T47 PolarHBondContact O-N 3.47Å
46	S	35.2	Very low	40.8	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	72%	0.723	S	S	*	*			trans	-90.1	80.4	157.6	174.9	0	0	0	0	107.6	R44 T48	R44-S46 VanDerWaalsContact C-N 3.28Å; R44-S46 PolarHBondContact O-N 3Å; S46-T48 PolarHBondContact O-N 2.82Å
47	T	32.3	Very low	43.9	Very low	103 Å²	103	129.7 Å²	129.7	63%	0.632	69%	0.686	S	S	*	*			trans	-81.7	101.6	164	31.1	0	0	0	0	108.2	Y45 V49	Y45-T47 HydrophobicContact CD1-CG2 4.5Å; Y45-T47 PolarHBondContact O-N 3.47Å; T47-V49 PolarHBondContact O-N 2.6Å
48	T	33.4	Very low	47.2	Very low	136 Å²	136	120.3 Å²	120.3	83%	0.834	65%	0.651	S	S	*	*			trans	-62	88.4	156.4	14.9	0	0	0	0	107.7	S46 A50	S46-T48 PolarHBondContact O-N 2.82Å; T48-A50 PolarHBondContact O-N 3.16Å
49	V	36.3	Very low	50.3	Low	121 Å²	121	113 Å²	113	73%	0.733	61%	0.612	S	S	*	*			trans	-62	116.1	166.1	177.8	0	0	0	0	106.3	T47 K51	T47-V49 PolarHBondContact O-N 2.6Å; V49-K51 PolarHBondContact O-N 2.89Å
50	A	31.5	Very low	53.6	Low	85 Å²	85	103.4 Å²	103.4	70%	0.702	58%	0.575	S	S	*	*			trans	-50	128.4	166.9	0	0	0	0	0	108	T48 S52	T48-A50 PolarHBondContact O-N 3.16Å; A50-S52 PolarHBondContact O-N 3.47Å
51	K	34.2	Very low	56.8	Low	214 Å²	214	96.5 Å²	96.5	93%	0.93	54%	0.539	S	S	*	.			trans	-60.1	81.7	173.9	-84.9	-180	173	178.1	0	109.4	V49 S53	V49-K51 PolarHBondContact O-N 2.89Å; K51-S53 PolarHBondContact O-N 2.68Å
52	S	40.4	Very low	60.1	Low	101 Å²	101	89.7 Å²	89.7	71%	0.706	50%	0.503	S	S	*	.			trans	-60.3	113.9	148.5	175.4	0	0	0	0	104.6	A50 T54	A50-S52 PolarHBondContact O-N 3.47Å; S52-T54 PolarHBondContact O-N 2.69Å
53	S	49.8	Very low	63.4	Low	97 Å²	97	86 Å²	86	68%	0.678	48%	0.479	S	S	*	.			trans	-57.3	104.5	173.4	56.3	0	0	0	0	107.4	K51 Q55	K51-S53 PolarHBondContact O-N 2.68Å; S53-Q55 PolarHBondContact O-N 2.75Å
54	T	66.8	Low	66.5	Low	103 Å²	103	81.3 Å²	81.3	63%	0.632	45%	0.449	S	S	*	.			trans	-58.6	111.4	175.4	32.4	0	0	0	0	107.7	S52 S56 F303	S52-T54 PolarHBondContact O-N 2.69Å; T54-S56 PolarHBondContact O-N 2.96Å; T54-F303 HydrophobicContact CG2-CD2 4.24Å; T54-F303 HydrophobicContact CG2-CE2 3.76Å
55	Q	87.8	Confident	69.6	Low	73 Å²	73	70.4 Å²	70.4	34%	0.341	41%	0.411	S	S	.	.			trans	-70	124.2	177.8	-70.1	-178.4	-0.4	0	0	108.1	S53 F57 R271 V302 F303	S53-Q55 PolarHBondContact O-N 2.75Å; Q55-F57 HydrophobicContact CB-CE2 4.25Å; Q55-R271 VanDerWaalsContact CD-NH1 3.35Å; Q55-R271 VanDerWaalsContact OE1-NH1 3.09Å; Q55-V302 HydrophobicContact CB-CG2 4.23Å; Q55-V302 WeakPolarHBondContact O-CG2 3.49Å; Q55-F303 PolarHBondContact O-N 3.5Å
56	S	95.3	Very high	72.9	Confident	56 Å²	56	61.7 Å²	61.7	39%	0.392	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	149.8	173.8	66.7	0	0	0	0	110.5	T54 F303 E305	T54-S56 PolarHBondContact O-N 2.96Å; S56-F303 WeakPolarHBondContact CA-O 3.16Å; S56-E305 WeakPolarHBondContact CB-OE1 3.29Å; S56-E305 PolarHBondContact OG-OE1 3.05Å
57	F	98.6	Very high	75.9	Confident	24 Å²	24	56.8 Å²	56.8	11%	0.105	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.9	174.4	-65.1	-91.8	0	0	0	108.4	Q55 Y59 V60 S82 L84 R271 V302 F303 A304 E305	Q55-F57 HydrophobicContact CB-CE2 4.25Å; F57-Y59 VanDerWaalsContact C-N 3.32Å; F57-V60 HydrophobicContact CB-CG2 4.42Å; F57-S82 WeakPolarHBondContact CA-OG 3.49Å; F57-L84 HydrophobicContact CB-CB 4.34Å; F57-L84 HydrophobicContact CD1-CB 4.01Å; F57-L84 HydrophobicContact CD2-CB 3.6Å; F57-L84 HydrophobicContact CD2-CD2 4.01Å; F57-L84 HydrophobicContact CD2-CG 4.42Å; F57-L84 HydrophobicContact CE1-CB 4.25Å; F57-L84 HydrophobicContact CE2-CB 3.87Å; F57-L84 HydrophobicContact CE2-CD2 3.85Å; F57-L84 HydrophobicContact CE2-CG 4.33Å; F57-L84 HydrophobicContact CG-CB 3.7Å; F57-L84 HydrophobicContact CZ-CB 4.21Å; F57-R271 HydrophobicContact CE1-CB 3.85Å; F57-R271 HydrophobicContact CZ-CB 4.1Å; F57-R271 HydrophobicContact CZ-CG 4.46Å; F57-V302 HydrophobicContact CD2-CG2 3.7Å; F57-V302 HydrophobicContact CE2-CG2 3.86Å; F57-F303 PolarHBondContact N-O 3.24Å; F57-A304 CarbonylContact O-C 3.43Å; F57-A304 VanDerWaalsContact O-CA 3.32Å; F57-A304 WeakPolarHBondContact O-CA 3.08Å; F57-E305 PolarHBondContact O-N 3.13Å
58	N	98.6	Very high	79.1	Confident	18 Å²	18	51.9 Å²	51.9	10%	0.096	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	-43.3	172.8	-59.1	115.4	0	0	0	110.6	Q80 E81 S82 E305 K306 E307	N58-Q80 PolarHBondContact OD1-O 3.27Å; N58-E81 WeakPolarHBondContact CB-OE2 3.32Å; N58-S82 WeakPolarHBondContact CB-O 3.3Å; N58-S82 PolarHBondContact N-O 3.32Å; N58-S82 PolarHBondContact N-OG 3.07Å; N58-S82 PolarHBondContact OD1-N 3.18Å; N58-S82 PolarHBondContact OD1-OG 2.91Å; N58-E305 PolarHBondContact ND2-OE2 3.48Å; N58-K306 HydrophobicContact CB-CD 4.11Å; N58-K306 HydrophobicContact CB-CG 4.2Å; N58-K306 WeakPolarHBondContact O-CA 3.41Å; N58-K306 VanDerWaalsContact O-CB 3.28Å; N58-K306 WeakPolarHBondContact O-CB 3.16Å; N58-K306 PolarHBondContact O-N 3.27Å; N58-E307 PolarHBondContact O-N 2.7Å
59	Y	98.9	Very high	82.2	Confident	12 Å²	12	45.4 Å²	45.4	5%	0.047	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	137.7	176.4	-51.7	-82.6	0	0	0	112	F57 L75 E81 S82 V83 L84 K306 E307 I309 I587	F57-Y59 VanDerWaalsContact C-N 3.32Å; Y59-L75 HydrophobicContact CD1-CD1 4.27Å; Y59-L75 HydrophobicContact CD2-CD1 4.08Å; Y59-L75 HydrophobicContact CG-CD1 3.94Å; Y59-E81 HydrophobicContact CE2-CB 4.1Å; Y59-E81 HydrophobicContact CE2-CG 4.18Å; Y59-E81 VanDerWaalsContact CE2-OE2 3.22Å; Y59-E81 WeakPolarHBondContact CE2-OE2 3.46Å; Y59-S82 PolarHBondContact N-O 2.78Å; Y59-V83 HydrophobicContact CD2-CG2 4.06Å; Y59-V83 WeakPolarHBondContact O-CA 3.34Å; Y59-L84 PolarHBondContact O-N 2.77Å; Y59-K306 HydrophobicContact CD1-CB 4.4Å; Y59-K306 HydrophobicContact CE1-CB 3.96Å; Y59-K306 HydrophobicContact CE1-CD 4.31Å; Y59-K306 HydrophobicContact CE2-CD 4.32Å; Y59-K306 WeakPolarHBondContact OH-CD 3.21Å; Y59-E307 WeakPolarHBondContact CA-O 3.49Å; Y59-E307 HydrophobicContact CD1-CB 4.12Å; Y59-E307 HydrophobicContact CE1-CB 4.38Å; Y59-E307 HydrophobicContact CE1-CG 4.46Å; Y59-I309 HydrophobicContact CD1-CD1 4.01Å; Y59-I309 HydrophobicContact CG-CD1 4.5Å; Y59-I587 HydrophobicContact CD1-CG2 4.39Å; Y59-I587 HydrophobicContact CE1-CG2 3.59Å
60	V	98.9	Very high	85.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.2	167	179.9	0	0	0	0	108.4	F57 L84 L86 V291 V302 A304 E307 V308 I309	F57-V60 HydrophobicContact CB-CG2 4.42Å; V60-L84 WeakPolarHBondContact CA-O 3.37Å; V60-L84 HydrophobicContact CG2-CB 4.44Å; V60-L86 HydrophobicContact CG1-CD1 4.09Å; V60-V291 HydrophobicContact CG1-CG2 3.85Å; V60-V302 HydrophobicContact CG1-CG1 4.12Å; V60-V302 HydrophobicContact CG2-CG1 4.26Å; V60-V302 HydrophobicContact CG2-CG2 4.38Å; V60-A304 HydrophobicContact CB-CB 4.32Å; V60-A304 HydrophobicContact CG2-CB 3.92Å; V60-E307 PolarHBondContact N-O 3.44Å; V60-V308 WeakPolarHBondContact O-CA 3.5Å; V60-I309 PolarHBondContact O-N 3.46Å
61	I	98.9	Very high	88.4	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.9	179.5	-55.4	169.2	0	0	0	109	L71 A72 L75 V83 L84 L85 L86 I309	I61-L71 HydrophobicContact CD1-CB 3.74Å; I61-A72 HydrophobicContact CD1-CB 4.09Å; I61-L75 HydrophobicContact CD1-CD1 4.35Å; I61-V83 HydrophobicContact CD1-CG1 3.59Å; I61-V83 HydrophobicContact CG1-CG1 4.14Å; I61-L84 PolarHBondContact N-O 2.75Å; I61-L85 HydrophobicContact CB-CD1 3.74Å; I61-L85 HydrophobicContact CG2-CD1 3.56Å; I61-L86 PolarHBondContact O-N 3.1Å; I61-I309 CarbonylContact C-O 3.52Å; I61-I309 WeakPolarHBondContact CA-O 3.29Å; I61-I309 HydrophobicContact CG1-CB 4.4Å; I61-I309 HydrophobicContact CG1-CD1 4.34Å
62	V	98.9	Very high	91.5	Very high	14 Å²	14	25.4 Å²	25.4	9%	0.085	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110	179.1	-178.5	0	0	0	0	110.1	T278 V291 V308 I309 L310 S311 G312 L320	V62-T278 HydrophobicContact CG1-CG2 4Å; V62-T278 WeakPolarHBondContact CG1-OG1 3.02Å; V62-T278 HydrophobicContact CG2-CG2 4.09Å; V62-V291 HydrophobicContact CG2-CG1 4.05Å; V62-V308 HydrophobicContact CG2-CG1 4.5Å; V62-I309 PolarHBondContact N-O 3.39Å; V62-L310 HydrophobicContact CB-CD2 3.98Å; V62-L310 HydrophobicContact CG2-CD2 3.99Å; V62-S311 CarbonylContact O-C 3.56Å; V62-S311 VanDerWaalsContact O-C 3.26Å; V62-S311 WeakPolarHBondContact O-CA 3.39Å; V62-S311 PolarHBondContact O-N 2.86Å; V62-G312 PolarHBondContact O-N 3.35Å; V62-L320 HydrophobicContact CG1-CD2 3.84Å
63	G	98.8	Very high	94.3	Very high	10 Å²	10	21.2 Å²	21.2	10%	0.103	13%	0.132	C	C	.	.			trans	103.6	116.1	-179.8	0	0	0	0	0	112.1	G65 G68 L86	G63-G65 PolarHBondContact O-N 3.24Å; G63-G65 VanDerWaalsContact O-N 3.13Å; G63-G68 WeakPolarHBondContact O-CA 3.28Å; G63-L86 CarbonylContact C-O 3.55Å; G63-L86 VanDerWaalsContact CA-O 3.26Å; G63-L86 WeakPolarHBondContact CA-O 3.41Å; G63-L86 PolarHBondContact N-O 3.24Å
64	A	98.6	Very high	96.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.			trans	-87.3	45	172.7	0	0	0	0	0	111.3	C69 L85 E87 G145 G146	A64-C69 PolarHBondContact O-SG 3.31Å; A64-L85 HydrophobicContact CB-CD1 4.21Å; A64-L85 HydrophobicContact CB-CD2 3.76Å; A64-L85 HydrophobicContact CB-CG 3.99Å; A64-E87 HydrophobicContact CB-CB 3.68Å; A64-E87 HydrophobicContact CB-CG 4.02Å; A64-E87 PolarHBondContact N-OE2 3.41Å; A64-G145 CarbonylContact O-C 3.52Å; A64-G145 VanDerWaalsContact O-CA 3.3Å; A64-G145 WeakPolarHBondContact O-CA 3.24Å; A64-G145 PolarHBondContact O-N 2.94Å; A64-G146 PolarHBondContact O-N 3.45Å
65	G	98.4	Very high	98.1	Very high	11 Å²	11	13.3 Å²	13.3	11%	0.113	8%	0.075	C	C	.	.	S	Bend	trans	-80.9	-160.1	-179.9	0	0	0	0	0	114.1	G63 A67 C69 G145 T256	G63-G65 PolarHBondContact O-N 3.24Å; G63-G65 VanDerWaalsContact O-N 3.13Å; G65-A67 VanDerWaalsContact C-N 3.34Å; G65-A67 PolarHBondContact O-N 3.3Å; G65-C69 PolarHBondContact O-N 2.85Å; G65-C69 PolarHBondContact O-SG 3.2Å; G65-C69 VanDerWaalsContact O-SG 3.4Å; G65-G145 CarbonylContact C-O 3.44Å; G65-T256 PolarHBondContact O-OG1 2.87Å
66	S	98.8	Very high	98.6	Very high	13 Å²	13	10 Å²	10	9%	0.091	6%	0.06	C	C	.	.	H	α-helix	trans	-55.7	-47.6	176.2	-59.5	0	0	0	0	112	V70 T256 N573	S66-V70 WeakPolarHBondContact O-CG2 3.13Å; S66-T256 WeakPolarHBondContact CA-OG1 3.43Å; S66-T256 WeakPolarHBondContact O-CG2 3.34Å; S66-N573 WeakPolarHBondContact CB-OD1 3.37Å; S66-N573 PolarHBondContact OG-OD1 3.49Å
67	A	98.9	Very high	98.8	Very high	2 Å²	2	10.3 Å²	10.3	2%	0.017	6%	0.056	C	C	.	.	H	α-helix	trans	-77.3	-46.2	179.1	0	0	0	0	0	113.3	G65 C69 V70 L71 V559 D560 T576 A580	G65-A67 VanDerWaalsContact C-N 3.34Å; G65-A67 PolarHBondContact O-N 3.3Å; A67-C69 VanDerWaalsContact C-N 3.32Å; A67-C69 PolarHBondContact O-N 3.05Å; A67-V70 WeakPolarHBondContact O-CB 3.18Å; A67-V70 PolarHBondContact O-N 2.77Å; A67-L71 PolarHBondContact O-N 3.04Å; A67-V559 HydrophobicContact CB-CG1 4.45Å; A67-V559 WeakPolarHBondContact CB-O 3.46Å; A67-D560 HydrophobicContact CB-CB 4.23Å; A67-T576 HydrophobicContact CB-CG2 3.95Å; A67-A580 HydrophobicContact CB-CB 3.75Å
68	G	98.8	Very high	98.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.8	-35.6	-174.8	0	0	0	0	0	114.1	G63 V70 L71 A72	G63-G68 WeakPolarHBondContact O-CA 3.28Å; G68-V70 VanDerWaalsContact C-N 3.34Å; G68-V70 PolarHBondContact O-N 3.16Å; G68-L71 PolarHBondContact O-N 3.44Å; G68-A72 WeakPolarHBondContact O-CB 3.44Å; G68-A72 PolarHBondContact O-N 3.01Å
69	C	98.9	Very high	98.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-63.8	-37.6	173.1	-70.9	0	0	0	0	112.8	A64 G65 A67 N73 Y260 L261	A64-C69 PolarHBondContact O-SG 3.31Å; G65-C69 PolarHBondContact O-N 2.85Å; G65-C69 PolarHBondContact O-SG 3.2Å; G65-C69 VanDerWaalsContact O-SG 3.4Å; A67-C69 VanDerWaalsContact C-N 3.32Å; A67-C69 PolarHBondContact O-N 3.05Å; C69-N73 WeakPolarHBondContact O-CB 3.48Å; C69-N73 PolarHBondContact O-N 3.36Å; C69-Y260 WeakPolarHBondContact O-CB 3.47Å; C69-L261 HydrophobicContact CB-CB 4.15Å
70	V	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.2	-48.8	177.4	176	0	0	0	0	109.8	S66 A67 G68 A72 N73 R74 Y260 I577 A580 E581	S66-V70 WeakPolarHBondContact O-CG2 3.13Å; A67-V70 WeakPolarHBondContact O-CB 3.18Å; A67-V70 PolarHBondContact O-N 2.77Å; G68-V70 VanDerWaalsContact C-N 3.34Å; G68-V70 PolarHBondContact O-N 3.16Å; V70-A72 PolarHBondContact O-N 2.95Å; V70-N73 WeakPolarHBondContact O-CB 3.28Å; V70-N73 PolarHBondContact O-N 2.93Å; V70-N73 VanDerWaalsContact O-N 3.16Å; V70-R74 HydrophobicContact CG1-CG 4.16Å; V70-R74 WeakPolarHBondContact O-CG 3.44Å; V70-R74 PolarHBondContact O-N 2.72Å; V70-Y260 HydrophobicContact CB-CD1 4.22Å; V70-Y260 HydrophobicContact CB-CE1 4.33Å; V70-Y260 HydrophobicContact CB-CG 4.43Å; V70-Y260 HydrophobicContact CG1-CD1 4.23Å; V70-Y260 HydrophobicContact CG1-CE1 3.98Å; V70-Y260 HydrophobicContact CG2-CD1 3.97Å; V70-Y260 HydrophobicContact CG2-CD2 3.76Å; V70-Y260 HydrophobicContact CG2-CE1 3.94Å; V70-Y260 HydrophobicContact CG2-CE2 3.75Å; V70-Y260 HydrophobicContact CG2-CG 3.87Å; V70-I577 HydrophobicContact CG2-CG1 4.49Å; V70-I577 HydrophobicContact CG2-CG2 4.06Å; V70-A580 HydrophobicContact CB-CB 3.72Å; V70-A580 HydrophobicContact CG1-CB 3.8Å; V70-A580 HydrophobicContact CG2-CB 4.28Å; V70-E581 HydrophobicContact CG1-CG 3.88Å
71	L	98.9	Very high	98.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-47.4	178.4	-71.5	166.4	0	0	0	111.9	I61 A67 G68 N73 R74 L75 I309 S311 V559 A580 A584 I587	I61-L71 HydrophobicContact CD1-CB 3.74Å; A67-L71 PolarHBondContact O-N 3.04Å; G68-L71 PolarHBondContact O-N 3.44Å; L71-N73 PolarHBondContact O-N 2.83Å; L71-R74 PolarHBondContact O-N 3.12Å; L71-L75 WeakPolarHBondContact O-CB 3.38Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.49Å; L71-L75 PolarHBondContact O-N 2.89Å; L71-I309 HydrophobicContact CD1-CG2 3.72Å; L71-S311 WeakPolarHBondContact CD1-OG 3.22Å; L71-V559 HydrophobicContact CD1-CB 3.87Å; L71-V559 HydrophobicContact CD1-CG1 3.9Å; L71-V559 HydrophobicContact CD1-CG2 4.4Å; L71-V559 HydrophobicContact CD2-CG1 4.33Å; L71-V559 HydrophobicContact CG-CG1 4.38Å; L71-A580 HydrophobicContact CG-CB 4.43Å; L71-A584 HydrophobicContact CD2-CB 4.22Å; L71-I587 HydrophobicContact CD2-CD1 3.94Å
72	A	98.9	Very high	98.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-39.1	177.2	0	0	0	0	0	111.9	I61 G68 V70 T76 L85 L261 L270	I61-A72 HydrophobicContact CD1-CB 4.09Å; G68-A72 WeakPolarHBondContact O-CB 3.44Å; G68-A72 PolarHBondContact O-N 3.01Å; V70-A72 PolarHBondContact O-N 2.95Å; A72-T76 WeakPolarHBondContact O-CB 3.37Å; A72-T76 VanDerWaalsContact O-CG2 3.24Å; A72-T76 WeakPolarHBondContact O-CG2 3.46Å; A72-T76 PolarHBondContact O-N 3.2Å; A72-T76 PolarHBondContact O-OG1 3.17Å; A72-L85 HydrophobicContact CB-CB 4.46Å; A72-L85 HydrophobicContact CB-CD2 3.93Å; A72-L261 HydrophobicContact CB-CD1 4.46Å; A72-L270 HydrophobicContact CB-CD1 4.09Å
73	N	98.8	Very high	98.6	Very high	12 Å²	12	25.3 Å²	25.3	6%	0.064	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-51.6	174.8	179.9	-64.7	0	0	0	112.1	C69 V70 L71 T76 E77 Y260 V264 R267	C69-N73 WeakPolarHBondContact O-CB 3.48Å; C69-N73 PolarHBondContact O-N 3.36Å; V70-N73 WeakPolarHBondContact O-CB 3.28Å; V70-N73 PolarHBondContact O-N 2.93Å; V70-N73 VanDerWaalsContact O-N 3.16Å; L71-N73 PolarHBondContact O-N 2.83Å; N73-T76 PolarHBondContact O-OG1 2.82Å; N73-E77 PolarHBondContact O-N 2.83Å; N73-Y260 HydrophobicContact CB-CD1 4.06Å; N73-Y260 PolarHBondContact ND2-O 2.87Å; N73-V264 HydrophobicContact CB-CG2 4.33Å; N73-V264 WeakPolarHBondContact ND2-CG1 3.43Å; N73-R267 PolarHBondContact O-NH1 3.34Å
74	R	98.8	Very high	98.6	Very high	32 Å²	32	24.9 Å²	24.9	12%	0.121	14%	0.135	C	C	.	.	H	α-helix	trans	-72.3	-40.2	-172.1	-65.7	-55	-172.6	-165.8	-4.8	113.1	V70 L71 T76 E77 E581 A584 R588	V70-R74 HydrophobicContact CG1-CG 4.16Å; V70-R74 WeakPolarHBondContact O-CG 3.44Å; V70-R74 PolarHBondContact O-N 2.72Å; L71-R74 PolarHBondContact O-N 3.12Å; R74-T76 VanDerWaalsContact C-N 3.34Å; R74-E77 VanDerWaalsContact CD-OE1 3.23Å; R74-E77 WeakPolarHBondContact CD-OE1 3.4Å; R74-E77 IonicContact CZ-OE1 2.78Å; R74-E77 IonicContact NE-OE1 3.38Å; R74-E77 IonicContact NH1-OE1 3.68Å; R74-E77 PolarHBondContact NH1-OE1 2.87Å; R74-E77 WeakPolarHBondContact O-CB 3.42Å; R74-E77 PolarHBondContact O-N 3.2Å; R74-E581 IonicContact CZ-OE1 3.71Å; R74-E581 IonicContact CZ-OE2 3.76Å; R74-E581 IonicContact NE-OE1 3.93Å; R74-E581 PolarHBondContact NE-OE1 3.07Å; R74-E581 VanDerWaalsContact NE-OE1 3.14Å; R74-E581 IonicContact NE-OE2 2.77Å; R74-E581 PolarHBondContact NE-OE2 3.02Å; R74-E581 IonicContact NH2-OE1 3.02Å; R74-E581 PolarHBondContact NH2-OE1 2.78Å; R74-E581 IonicContact NH2-OE2 3.05Å; R74-E581 PolarHBondContact NH2-OE2 3.42Å; R74-A584 HydrophobicContact CB-CB 3.46Å; R74-A584 VanDerWaalsContact CB-CB 3.46Å; R74-A584 HydrophobicContact CG-CB 3.91Å; R74-R588 PolarHBondContact O-NH1 2.84Å
75	L	98.8	Very high	98.6	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-68.4	-35.1	179.6	-63.4	-179.5	0	0	0	111.6	Y59 I61 L71 E77 V83 I309 I587 R588	Y59-L75 HydrophobicContact CD1-CD1 4.27Å; Y59-L75 HydrophobicContact CD2-CD1 4.08Å; Y59-L75 HydrophobicContact CG-CD1 3.94Å; I61-L75 HydrophobicContact CD1-CD1 4.35Å; L71-L75 WeakPolarHBondContact O-CB 3.38Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.49Å; L71-L75 PolarHBondContact O-N 2.89Å; L75-E77 VanDerWaalsContact C-N 3.26Å; L75-E77 PolarHBondContact O-N 2.78Å; L75-V83 HydrophobicContact CB-CG2 3.94Å; L75-I309 HydrophobicContact CD1-CD1 3.78Å; L75-I587 HydrophobicContact CD1-CG2 4.49Å; L75-I587 HydrophobicContact CD2-CB 4.06Å; L75-I587 HydrophobicContact CD2-CG2 3.62Å; L75-R588 HydrophobicContact CD2-CG 3.8Å
76	T	98.8	Very high	98.6	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.018	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.9	178.6	62.7	0	0	0	0	114.3	A72 N73 R74 D78 V83 R267 N269 L270	A72-T76 WeakPolarHBondContact O-CB 3.37Å; A72-T76 VanDerWaalsContact O-CG2 3.24Å; A72-T76 WeakPolarHBondContact O-CG2 3.46Å; A72-T76 PolarHBondContact O-N 3.2Å; A72-T76 PolarHBondContact O-OG1 3.17Å; N73-T76 PolarHBondContact O-OG1 2.82Å; R74-T76 VanDerWaalsContact C-N 3.34Å; T76-D78 PolarHBondContact O-N 2.78Å; T76-V83 HydrophobicContact CG2-CB 3.58Å; T76-V83 HydrophobicContact CG2-CG1 4.44Å; T76-V83 HydrophobicContact CG2-CG2 3.43Å; T76-V83 VanDerWaalsContact CG2-CG2 3.43Å; T76-R267 PolarHBondContact O-NH1 3.2Å; T76-R267 PolarHBondContact OG1-NH1 3.33Å; T76-N269 WeakPolarHBondContact CA-ND2 3.39Å; T76-N269 PolarHBondContact O-ND2 3.41Å; T76-L270 HydrophobicContact CG2-CB 3.96Å; T76-L270 HydrophobicContact CG2-CD1 4.08Å; T76-L270 HydrophobicContact CG2-CG 4.49Å
77	E	98.6	Very high	98.6	Very high	63 Å²	63	24.2 Å²	24.2	29%	0.294	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.8	167.1	-71.7	177.1	-178.9	0	0	111.5	N73 R74 L75 R588 R590	N73-E77 PolarHBondContact O-N 2.83Å; R74-E77 VanDerWaalsContact CD-OE1 3.23Å; R74-E77 WeakPolarHBondContact CD-OE1 3.4Å; R74-E77 IonicContact CZ-OE1 2.78Å; R74-E77 IonicContact NE-OE1 3.38Å; R74-E77 IonicContact NH1-OE1 3.68Å; R74-E77 PolarHBondContact NH1-OE1 2.87Å; R74-E77 WeakPolarHBondContact O-CB 3.42Å; R74-E77 PolarHBondContact O-N 3.2Å; L75-E77 VanDerWaalsContact C-N 3.26Å; L75-E77 PolarHBondContact O-N 2.78Å; E77-R588 IonicContact OE2-CZ 2.76Å; E77-R588 IonicContact OE2-NH1 2.8Å; E77-R588 PolarHBondContact OE2-NH1 2.96Å; E77-R588 IonicContact OE2-NH2 2.91Å; E77-R590 IonicContact OE2-NH1 2.77Å; E77-R590 IonicContact OE2-NH2 2.75Å
78	D	98	Very high	98.6	Very high	54 Å²	54	25.4 Å²	25.4	29%	0.289	14%	0.137	S	C	.	.	S	Bend	trans	-86.3	115.6	169.4	-170.6	-26.1	0	0	0	109.4	T76 Q80 E81 N269	T76-D78 PolarHBondContact O-N 2.78Å; D78-Q80 PolarHBondContact O-N 3.08Å; D78-Q80 VanDerWaalsContact O-N 3.17Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.48Å; D78-Q80 PolarHBondContact OD1-N 2.99Å; D78-E81 HydrophobicContact CB-CB 4.35Å; D78-E81 HydrophobicContact CB-CG 3.8Å; D78-E81 PolarHBondContact O-N 3.43Å; D78-E81 VanDerWaalsContact O-N 3.12Å; D78-N269 PolarHBondContact O-ND2 3.09Å
79	P	97.6	Very high	98.6	Very high	107 Å²	107	25.5 Å²	25.5	70%	0.695	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.8	-178.9	28.9	-36.1	0	0	0	113.8
80	Q	97.4	Very high	98.5	Very high	163 Å²	163	27.1 Å²	27.1	76%	0.762	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-17.3	175.5	-58.4	-170.9	7.3	0	0	112.9	N58 D78	N58-Q80 PolarHBondContact OD1-O 3.27Å; D78-Q80 PolarHBondContact O-N 3.08Å; D78-Q80 VanDerWaalsContact O-N 3.17Å; D78-Q80 WeakPolarHBondContact OD1-CB 3.48Å; D78-Q80 PolarHBondContact OD1-N 2.99Å
81	E	98.1	Very high	98.4	Very high	28 Å²	28	32.2 Å²	32.2	13%	0.131	17%	0.171	C	C	.	.			trans	-94.5	114.4	-178.2	-59.2	-63.5	170.1	0	0	110.5	N58 Y59 D78 N269 K306	N58-E81 WeakPolarHBondContact CB-OE2 3.32Å; Y59-E81 HydrophobicContact CE2-CB 4.1Å; Y59-E81 HydrophobicContact CE2-CG 4.18Å; Y59-E81 VanDerWaalsContact CE2-OE2 3.22Å; Y59-E81 WeakPolarHBondContact CE2-OE2 3.46Å; D78-E81 HydrophobicContact CB-CB 4.35Å; D78-E81 HydrophobicContact CB-CG 3.8Å; D78-E81 PolarHBondContact O-N 3.43Å; D78-E81 VanDerWaalsContact O-N 3.12Å; E81-N269 WeakPolarHBondContact O-CB 3.49Å; E81-N269 PolarHBondContact O-ND2 3.47Å; E81-K306 IonicContact OE1-NZ 2.6Å; E81-K306 PolarHBondContact OE1-NZ 2.91Å; E81-K306 WeakPolarHBondContact OE2-CE 3.24Å; E81-K306 IonicContact OE2-NZ 2.82Å; E81-K306 PolarHBondContact OE2-NZ 3.44Å
82	S	98.6	Very high	98.3	Very high	31 Å²	31	32.3 Å²	32.3	22%	0.217	17%	0.171	C	C	.	.			trans	-88.1	131.7	174.1	60.9	0	0	0	0	111.4	F57 N58 Y59 N269	F57-S82 WeakPolarHBondContact CA-OG 3.49Å; N58-S82 WeakPolarHBondContact CB-O 3.3Å; N58-S82 PolarHBondContact N-O 3.32Å; N58-S82 PolarHBondContact N-OG 3.07Å; N58-S82 PolarHBondContact OD1-N 3.18Å; N58-S82 PolarHBondContact OD1-OG 2.91Å; Y59-S82 PolarHBondContact N-O 2.78Å; S82-N269 WeakPolarHBondContact CA-O 2.92Å
83	V	98.9	Very high	98.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.3	-176.6	178.2	0	0	0	0	110.7	Y59 I61 L75 T76 N269 L270 R271	Y59-V83 HydrophobicContact CD2-CG2 4.06Å; Y59-V83 WeakPolarHBondContact O-CA 3.34Å; I61-V83 HydrophobicContact CD1-CG1 3.59Å; I61-V83 HydrophobicContact CG1-CG1 4.14Å; L75-V83 HydrophobicContact CB-CG2 3.94Å; T76-V83 HydrophobicContact CG2-CB 3.58Å; T76-V83 HydrophobicContact CG2-CG1 4.44Å; T76-V83 HydrophobicContact CG2-CG2 3.43Å; T76-V83 VanDerWaalsContact CG2-CG2 3.43Å; V83-N269 PolarHBondContact N-O 3.28Å; V83-L270 HydrophobicContact CB-CD1 4.14Å; V83-L270 HydrophobicContact CG1-CD1 4.04Å; V83-R271 PolarHBondContact O-N 3.2Å
84	L	98.8	Very high	97.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.1	163.3	176.8	63	0	0	0	110.3	F57 Y59 V60 I61 L86 R271 E273 V302	F57-L84 HydrophobicContact CB-CB 4.34Å; F57-L84 HydrophobicContact CD1-CB 4.01Å; F57-L84 HydrophobicContact CD2-CB 3.6Å; F57-L84 HydrophobicContact CD2-CD2 4.01Å; F57-L84 HydrophobicContact CD2-CG 4.42Å; F57-L84 HydrophobicContact CE1-CB 4.25Å; F57-L84 HydrophobicContact CE2-CB 3.87Å; F57-L84 HydrophobicContact CE2-CD2 3.85Å; F57-L84 HydrophobicContact CE2-CG 4.33Å; F57-L84 HydrophobicContact CG-CB 3.7Å; F57-L84 HydrophobicContact CZ-CB 4.21Å; Y59-L84 PolarHBondContact O-N 2.77Å; V60-L84 WeakPolarHBondContact CA-O 3.37Å; V60-L84 HydrophobicContact CG2-CB 4.44Å; I61-L84 PolarHBondContact N-O 2.75Å; L84-L86 HydrophobicContact CD1-CD2 4.07Å; L84-L86 HydrophobicContact CD2-CD2 3.81Å; L84-L86 HydrophobicContact CD2-CG 4.27Å; L84-L86 HydrophobicContact CG-CD2 3.84Å; L84-L86 HydrophobicContact CG-CG 4.17Å; L84-R271 CarbonylContact C-O 3.51Å; L84-R271 WeakPolarHBondContact CA-O 3.46Å; L84-R271 HydrophobicContact CD1-CB 3.93Å; L84-R271 HydrophobicContact CD1-CG 3.77Å; L84-E273 HydrophobicContact CD1-CG 3.84Å; L84-V302 HydrophobicContact CD2-CB 4.09Å; L84-V302 HydrophobicContact CD2-CG1 3.77Å; L84-V302 HydrophobicContact CD2-CG2 3.58Å
85	L	98.9	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.8	172.4	-179	65.7	0	0	0	110.3	I61 A64 A72 L261 R271 T272 E273	I61-L85 HydrophobicContact CB-CD1 3.74Å; I61-L85 HydrophobicContact CG2-CD1 3.56Å; A64-L85 HydrophobicContact CB-CD1 4.21Å; A64-L85 HydrophobicContact CB-CD2 3.76Å; A64-L85 HydrophobicContact CB-CG 3.99Å; A72-L85 HydrophobicContact CB-CB 4.46Å; A72-L85 HydrophobicContact CB-CD2 3.93Å; L85-L261 HydrophobicContact CD2-CD1 3.71Å; L85-L261 HydrophobicContact CD2-CD2 3.99Å; L85-R271 PolarHBondContact N-O 2.81Å; L85-T272 HydrophobicContact CB-CG2 4.33Å; L85-T272 HydrophobicContact CD2-CG2 4.43Å; L85-T272 CarbonylContact O-C 3.2Å; L85-T272 WeakPolarHBondContact O-CA 3.43Å; L85-E273 PolarHBondContact O-N 3.34Å
86	L	98.8	Very high	97	Very high	1 Å²	1	48 Å²	48	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	133.1	178.7	-60.5	-179.8	0	0	0	110.9	V60 I61 G63 L84 E273 V291 Y293 V302	V60-L86 HydrophobicContact CG1-CD1 4.09Å; I61-L86 PolarHBondContact O-N 3.1Å; G63-L86 CarbonylContact C-O 3.55Å; G63-L86 VanDerWaalsContact CA-O 3.26Å; G63-L86 WeakPolarHBondContact CA-O 3.41Å; G63-L86 PolarHBondContact N-O 3.24Å; L84-L86 HydrophobicContact CD1-CD2 4.07Å; L84-L86 HydrophobicContact CD2-CD2 3.81Å; L84-L86 HydrophobicContact CD2-CG 4.27Å; L84-L86 HydrophobicContact CG-CD2 3.84Å; L84-L86 HydrophobicContact CG-CG 4.17Å; L86-E273 HydrophobicContact CD2-CB 3.79Å; L86-E273 HydrophobicContact CD2-CG 4.2Å; L86-V291 HydrophobicContact CD1-CG2 3.68Å; L86-Y293 HydrophobicContact CD1-CD1 4.12Å; L86-Y293 HydrophobicContact CD1-CG 4.42Å; L86-V302 HydrophobicContact CD1-CG1 4.49Å
87	E	98.8	Very high	96.7	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.047	28%	0.278	C	S	.	.			trans	-131	131.1	173.7	176.2	48.9	-138.3	0	0	112.4	A64 G89 V143 E273 V274 Q275 C276	A64-E87 HydrophobicContact CB-CB 3.68Å; A64-E87 HydrophobicContact CB-CG 4.02Å; A64-E87 PolarHBondContact N-OE2 3.41Å; E87-G89 VanDerWaalsContact C-N 3.32Å; E87-G89 PolarHBondContact O-N 3.43Å; E87-G89 PolarHBondContact OE1-N 3.05Å; E87-V143 PolarHBondContact OE1-N 2.55Å; E87-E273 PolarHBondContact N-O 3Å; E87-V274 HydrophobicContact CB-CG1 4.49Å; E87-V274 CarbonylContact O-C 3.31Å; E87-V274 WeakPolarHBondContact O-CA 3.4Å; E87-Q275 PolarHBondContact O-N 3Å; E87-C276 CarbonylContact C-O 3.6Å; E87-C276 PolarHBondContact N-SG 2.84Å; E87-C276 PolarHBondContact O-N 3.4Å; E87-C276 PolarHBondContact O-SG 3.42Å
88	A	98.4	Very high	96.4	Very high	27 Å²	27	48.4 Å²	48.4	22%	0.223	27%	0.268	C	S	.	.	S	Bend	trans	-68.7	-31	177.8	0	0	0	0	0	112.8	W121 R142 Q275 C276 L277	A88-W121 HydrophobicContact CB-CH2 3.64Å; A88-W121 HydrophobicContact CB-CZ2 3.6Å; A88-R142 HydrophobicContact CB-CG 4.26Å; A88-Q275 WeakPolarHBondContact O-CA 3.45Å; A88-C276 WeakPolarHBondContact CA-O 3.34Å; A88-C276 PolarHBondContact N-O 3.31Å; A88-L277 HydrophobicContact CB-CD1 4.23Å
89	G	97.9	Very high	96.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.01	27%	0.272	C	S	.	.	S	Bend	trans	-85.4	179.6	176.7	0	0	0	0	0	116	E87 R142 V274 Q275	E87-G89 VanDerWaalsContact C-N 3.32Å; E87-G89 PolarHBondContact O-N 3.43Å; E87-G89 PolarHBondContact OE1-N 3.05Å; G89-R142 VanDerWaalsContact CA-O 3.24Å; G89-R142 WeakPolarHBondContact CA-O 3.42Å; G89-V274 WeakPolarHBondContact O-CB 3.14Å; G89-Q275 PolarHBondContact O-N 3.23Å
90	P	97.4	Very high	96	Very high	35 Å²	35	50.1 Å²	50.1	23%	0.227	26%	0.263	C	S	.	.			trans	-76.9	177.6	173.1	34.2	-35.2	0	0	0	111.8	K118 V119 R142 V143 W144	P90-K118 VanDerWaalsContact CD-O 3.31Å; P90-K118 WeakPolarHBondContact CD-O 3.42Å; P90-V119 HydrophobicContact CG-CG1 3.99Å; P90-R142 WeakPolarHBondContact CD-O 3.32Å; P90-V143 HydrophobicContact CG-CG2 4.37Å; P90-V143 WeakPolarHBondContact O-CA 3.19Å; P90-V143 WeakPolarHBondContact O-CG2 3.23Å; P90-W144 PolarHBondContact O-N 3.48Å
91	K	97.8	Very high	95.9	Very high	107 Å²	107	42.9 Å²	42.9	47%	0.465	23%	0.231	S	C	.	.			trans	-65.1	155.5	165.4	-58.5	-174.6	178.4	-179.6	0	110.4	R93 W144 V274	K91-R93 PolarHBondContact O-N 3.08Å; K91-W144 HydrophobicContact CB-CD2 4.04Å; K91-W144 HydrophobicContact CB-CE3 3.81Å; K91-W144 HydrophobicContact CB-CZ3 4.11Å; K91-W144 HydrophobicContact CD-CE3 4.28Å; K91-W144 HydrophobicContact CD-CH2 3.58Å; K91-W144 HydrophobicContact CD-CZ2 4.03Å; K91-W144 HydrophobicContact CD-CZ3 3.71Å; K91-W144 VanDerWaalsContact CE-CH2 3.46Å; K91-W144 HydrophobicContact CG-CD2 3.89Å; K91-W144 HydrophobicContact CG-CE3 3.82Å; K91-W144 HydrophobicContact CG-CH2 3.76Å; K91-W144 HydrophobicContact CG-CZ2 3.79Å; K91-W144 HydrophobicContact CG-CZ3 3.76Å; K91-V274 HydrophobicContact CG-CG1 3.86Å; K91-V274 HydrophobicContact CG-CG2 4.37Å
92	D	96	Very high	95.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.24	C	C	.	.	S	Bend	trans	-74.9	-4.7	177	70.9	-43.5	0	0	0	113.6	S101 H105 V143 W144 R262	D92-S101 WeakPolarHBondContact O-CB 3.34Å; D92-H105 PolarHBondContact O-NE2 3.26Å; D92-H105 IonicContact OD2-CE1 2.65Å; D92-H105 PolarHBondContact OD2-CE1 2.89Å; D92-H105 VanDerWaalsContact OD2-CE1 3.27Å; D92-H105 IonicContact OD2-NE2 3.59Å; D92-V143 HydrophobicContact CB-CG2 4.22Å; D92-W144 HydrophobicContact CB-CB 4.14Å; D92-R262 IonicContact OD2-CZ 3.24Å; D92-R262 IonicContact OD2-NH1 3.69Å; D92-R262 PolarHBondContact OD2-NH1 2.81Å
93	R	95.7	Very high	95.6	Very high	92 Å²	92	47.7 Å²	47.7	35%	0.347	25%	0.245	S	C	.	.	S	Bend	trans	-129.2	125.1	-179.8	-68.1	171.1	71.7	172.3	8.4	111.5	K91 G96 V98 S101	K91-R93 PolarHBondContact O-N 3.08Å; R93-G96 VanDerWaalsContact NE-C 3.32Å; R93-G96 PolarHBondContact NE-O 3.04Å; R93-G96 VanDerWaalsContact NE-O 3.1Å; R93-G96 PolarHBondContact NH2-O 3.34Å; R93-V98 HydrophobicContact CG-CG2 4.33Å; R93-S101 WeakPolarHBondContact CA-OG 3.5Å
94	T	92.1	Very high	95.5	Very high	77 Å²	77	48.2 Å²	48.2	47%	0.472	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-79.1	126	170.8	-56.5	0	0	0	0	109.2	G96 N97 L100 S101	T94-G96 PolarHBondContact O-N 3.02Å; T94-N97 PolarHBondContact O-N 2.98Å; T94-L100 HydrophobicContact CG2-CB 4.48Å; T94-S101 PolarHBondContact N-OG 2.83Å; T94-S101 PolarHBondContact OG1-OG 2.99Å; T94-S101 VanDerWaalsContact OG1-OG 3.12Å
95	L	91.1	Very high	95.4	Very high	162 Å²	162	48.2 Å²	48.2	85%	0.848	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	30.4	-175.9	-58.5	175.3	0	0	0	113.4	N97 L100	L95-N97 VanDerWaalsContact C-N 3.26Å; L95-N97 PolarHBondContact O-N 2.86Å; L95-L100 HydrophobicContact CB-CD1 4.29Å; L95-L100 HydrophobicContact CD1-CD1 4.23Å
96	G	89.8	Confident	95.3	Very high	46 Å²	46	48.9 Å²	48.9	47%	0.474	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	26.9	-175.7	0	0	0	0	0	113.7	R93 T94	R93-G96 VanDerWaalsContact NE-C 3.32Å; R93-G96 PolarHBondContact NE-O 3.04Å; R93-G96 VanDerWaalsContact NE-O 3.1Å; R93-G96 PolarHBondContact NH2-O 3.34Å; T94-G96 PolarHBondContact O-N 3.02Å
97	N	91.9	Very high	95.2	Very high	58 Å²	58	48.8 Å²	48.8	31%	0.31	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-121.7	125.9	-180	-167.2	-46	0	0	0	111.9	T94 L95 R99 L100	T94-N97 PolarHBondContact O-N 2.98Å; L95-N97 VanDerWaalsContact C-N 3.26Å; L95-N97 PolarHBondContact O-N 2.86Å; N97-R99 VanDerWaalsContact OD1-CB 3.29Å; N97-R99 WeakPolarHBondContact OD1-CB 3.4Å; N97-R99 PolarHBondContact OD1-N 3.24Å; N97-L100 HydrophobicContact CB-CB 4.23Å; N97-L100 HydrophobicContact CB-CD1 3.9Å; N97-L100 HydrophobicContact CB-CG 3.89Å
98	V	92.6	Very high	95	Very high	16 Å²	16	50.1 Å²	50.1	10%	0.097	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-38.8	178.7	163.4	0	0	0	0	112.1	R93 S101 W102 H105 K252 W384 Y388	R93-V98 HydrophobicContact CG-CG2 4.33Å; V98-S101 CarbonylContact O-C 3.58Å; V98-S101 VanDerWaalsContact O-C 3.31Å; V98-S101 PolarHBondContact O-N 3.12Å; V98-S101 VanDerWaalsContact O-N 3.14Å; V98-W102 PolarHBondContact O-N 3.09Å; V98-H105 HydrophobicContact CG1-CB 3.6Å; V98-K252 HydrophobicContact CG1-CD 4.4Å; V98-W384 HydrophobicContact CG1-CH2 4.1Å; V98-Y388 HydrophobicContact CG1-CE1 4.39Å
99	R	93.7	Very high	94.7	Very high	99 Å²	99	48.9 Å²	48.9	37%	0.374	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-68.3	-36.1	-178	-61.9	178.7	171.3	105.2	-4	112.4	N97 S101 W102 L385 Y388	N97-R99 VanDerWaalsContact OD1-CB 3.29Å; N97-R99 WeakPolarHBondContact OD1-CB 3.4Å; N97-R99 PolarHBondContact OD1-N 3.24Å; R99-S101 PolarHBondContact O-N 2.93Å; R99-W102 WeakPolarHBondContact O-CB 3.37Å; R99-W102 PolarHBondContact O-N 2.88Å; R99-L385 HydrophobicContact CB-CD2 3.78Å; R99-L385 WeakPolarHBondContact CD-O 2.91Å; R99-L385 HydrophobicContact CG-CD2 4.24Å; R99-L385 PolarHBondContact NE-O 3.49Å; R99-Y388 HydrophobicContact CG-CE1 4.07Å; R99-Y388 VanDerWaalsContact CG-OH 3.29Å; R99-Y388 WeakPolarHBondContact CG-OH 3.35Å; R99-Y388 PolarHBondContact NE-OH 2.98Å
100	L	93.8	Very high	94.4	Very high	97 Å²	97	50.8 Å²	50.8	51%	0.508	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-68.7	-19.7	175.6	-62.5	-177.1	0	0	0	112.4	T94 L95 N97	T94-L100 HydrophobicContact CG2-CB 4.48Å; L95-L100 HydrophobicContact CB-CD1 4.29Å; L95-L100 HydrophobicContact CD1-CD1 4.23Å; N97-L100 HydrophobicContact CB-CB 4.23Å; N97-L100 HydrophobicContact CB-CD1 3.9Å; N97-L100 HydrophobicContact CB-CG 3.89Å
101	S	95	Very high	93.9	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.084	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-108.5	35.4	175.9	-60.1	0	0	0	0	111.9	D92 R93 T94 V98 R99 K103 I104 H105	D92-S101 WeakPolarHBondContact O-CB 3.34Å; R93-S101 WeakPolarHBondContact CA-OG 3.5Å; T94-S101 PolarHBondContact N-OG 2.83Å; T94-S101 PolarHBondContact OG1-OG 2.99Å; T94-S101 VanDerWaalsContact OG1-OG 3.12Å; V98-S101 CarbonylContact O-C 3.58Å; V98-S101 VanDerWaalsContact O-C 3.31Å; V98-S101 PolarHBondContact O-N 3.12Å; V98-S101 VanDerWaalsContact O-N 3.14Å; R99-S101 PolarHBondContact O-N 2.93Å; S101-K103 PolarHBondContact O-N 3.3Å; S101-K103 VanDerWaalsContact O-N 3.1Å; S101-I104 PolarHBondContact O-N 3.11Å; S101-H105 PolarHBondContact O-CD2 3.01Å; S101-H105 PolarHBondContact O-N 3.41Å
102	W	95.2	Very high	93.5	Very high	87 Å²	87	51.1 Å²	51.1	33%	0.33	26%	0.263	S	S	.	.	H	α-helix	trans	-53.4	-32.9	-175.2	65.5	-92.4	0	0	0	114.2	V98 R99 I104 H105 M106 A109 Y112 W384	V98-W102 PolarHBondContact O-N 3.09Å; R99-W102 WeakPolarHBondContact O-CB 3.37Å; R99-W102 PolarHBondContact O-N 2.88Å; W102-I104 PolarHBondContact O-N 2.62Å; W102-H105 PolarHBondContact O-N 2.75Å; W102-M106 HydrophobicContact CB-CE 4.4Å; W102-M106 HydrophobicContact CE3-CE 4.25Å; W102-M106 WeakPolarHBondContact O-CB 3.5Å; W102-M106 PolarHBondContact O-N 2.83Å; W102-A109 HydrophobicContact CE3-CB 3.75Å; W102-A109 HydrophobicContact CZ3-CB 3.7Å; W102-Y112 HydrophobicContact CH2-CD1 4.17Å; W102-Y112 HydrophobicContact CH2-CD2 4.2Å; W102-Y112 HydrophobicContact CH2-CE1 4.49Å; W102-Y112 HydrophobicContact CH2-CG 4.01Å; W102-Y112 AromaticContact CZ3-CD2 3.94Å; W102-Y112 HydrophobicContact CZ3-CD2 3.94Å; W102-Y112 HydrophobicContact CZ3-CE2 4.35Å; W102-Y112 HydrophobicContact CZ3-CG 4.13Å; W102-W384 HydrophobicContact CB-CZ3 3.99Å
103	K	94.8	Very high	93.1	Very high	73 Å²	73	51.1 Å²	51.1	32%	0.317	26%	0.262	S	S	.	.	H	α-helix	trans	-57	-32.1	176.8	-61.1	-174.7	-173.5	-179.7	0	113.1	S101 N113 D116	S101-K103 PolarHBondContact O-N 3.3Å; S101-K103 VanDerWaalsContact O-N 3.1Å; K103-N113 HydrophobicContact CB-CB 4.43Å; K103-N113 WeakPolarHBondContact O-CB 3.35Å; K103-N113 PolarHBondContact O-ND2 3.03Å; K103-D116 IonicContact NZ-OD2 2.64Å; K103-D116 PolarHBondContact NZ-OD2 2.87Å
104	I	96.3	Very high	92.8	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.051	25%	0.25	C	C	.	.	H	α-helix	trans	-84.5	-52.2	175.6	-65.8	173.5	0	0	0	109.1	S101 W102 V119 V143 R253	S101-I104 PolarHBondContact O-N 3.11Å; W102-I104 PolarHBondContact O-N 2.62Å; I104-V119 HydrophobicContact CD1-CG1 4.29Å; I104-V143 HydrophobicContact CD1-CG2 4.08Å; I104-R253 WeakPolarHBondContact O-CD 3.1Å; I104-R253 PolarHBondContact O-NE 3.37Å
105	H	97.3	Very high	92.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	25%	0.25	C	S	.	.	H	α-helix	trans	-87	-20.6	-163.3	-65.1	-72.3	0	0	0	115.4	D92 V98 S101 W102 P107 K252 R253 R262 W384	D92-H105 PolarHBondContact O-NE2 3.26Å; D92-H105 IonicContact OD2-CE1 2.65Å; D92-H105 PolarHBondContact OD2-CE1 2.89Å; D92-H105 VanDerWaalsContact OD2-CE1 3.27Å; D92-H105 IonicContact OD2-NE2 3.59Å; V98-H105 HydrophobicContact CG1-CB 3.6Å; S101-H105 PolarHBondContact O-CD2 3.01Å; S101-H105 PolarHBondContact O-N 3.41Å; W102-H105 PolarHBondContact O-N 2.75Å; H105-P107 VanDerWaalsContact O-CD 3.26Å; H105-P107 WeakPolarHBondContact O-CD 3.43Å; H105-K252 WeakPolarHBondContact O-CA 3.45Å; H105-R253 PolarHBondContact O-N 3.41Å; H105-R262 PolarHBondContact CE1-NH1 2.74Å; H105-W384 HydrophobicContact CB-CH2 3.94Å; H105-W384 HydrophobicContact CB-CZ2 4.21Å; H105-W384 WeakPolarHBondContact O-CZ2 3.21Å
106	M	97.5	Very high	92.4	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.064	22%	0.217	C	C	.	.	S	Bend	trans	-81.3	115	174.4	-177.5	-171.4	-60.3	0	0	109	W102 A108 A109 W384 G392	W102-M106 HydrophobicContact CB-CE 4.4Å; W102-M106 HydrophobicContact CE3-CE 4.25Å; W102-M106 WeakPolarHBondContact O-CB 3.5Å; W102-M106 PolarHBondContact O-N 2.83Å; M106-A108 VanDerWaalsContact C-N 3.33Å; M106-A108 PolarHBondContact O-N 2.81Å; M106-A109 HydrophobicContact CB-CB 3.88Å; M106-A109 HydrophobicContact CG-CB 4.18Å; M106-A109 WeakPolarHBondContact O-CB 3.24Å; M106-A109 PolarHBondContact O-N 2.84Å; M106-A109 HydrophobicContact SD-CB 4.1Å; M106-W384 HydrophobicContact CB-CD2 3.92Å; M106-W384 HydrophobicContact CB-CE3 4.2Å; M106-W384 HydrophobicContact CB-CG 4.49Å; M106-W384 HydrophobicContact CB-CH2 4.18Å; M106-W384 HydrophobicContact CB-CZ2 3.89Å; M106-W384 HydrophobicContact CB-CZ3 4.32Å; M106-W384 HydrophobicContact CE-CB 3.9Å; M106-W384 HydrophobicContact CE-CD2 3.71Å; M106-W384 HydrophobicContact CE-CE3 3.55Å; M106-W384 HydrophobicContact CE-CG 3.86Å; M106-W384 HydrophobicContact CE-CZ3 4.36Å; M106-W384 HydrophobicContact CG-CD2 3.87Å; M106-W384 HydrophobicContact CG-CE3 4.45Å; M106-W384 HydrophobicContact CG-CG 3.92Å; M106-W384 HydrophobicContact SD-CG 4.46Å; M106-G392 WeakPolarHBondContact CG-O 3.17Å
107	P	96.1	Very high	92.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-50.6	-45.9	-179.9	-34.8	40.4	0	0	0	114.9	H105 A109 L110 M153 I248 G251 G392 T394	H105-P107 VanDerWaalsContact O-CD 3.26Å; H105-P107 WeakPolarHBondContact O-CD 3.43Å; P107-A109 PolarHBondContact O-N 2.9Å; P107-L110 PolarHBondContact O-N 3.44Å; P107-M153 HydrophobicContact CB-CE 3.78Å; P107-M153 HydrophobicContact CB-SD 3.61Å; P107-M153 HydrophobicContact CG-SD 3.9Å; P107-M153 WeakPolarHBondContact O-CE 3.47Å; P107-I248 HydrophobicContact CB-CD1 3.78Å; P107-I248 HydrophobicContact CB-CG1 4.44Å; P107-I248 HydrophobicContact CG-CD1 3.81Å; P107-I248 HydrophobicContact CG-CG1 4.04Å; P107-I248 HydrophobicContact CG-CG2 4.24Å; P107-G251 WeakPolarHBondContact CD-O 3.13Å; P107-G392 WeakPolarHBondContact CD-O 3.28Å; P107-T394 CarbonylContact C-O 3.33Å; P107-T394 WeakPolarHBondContact CB-O 3.45Å
108	A	94.6	Very high	92.4	Very high	38 Å²	38	47.7 Å²	47.7	31%	0.314	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-69.6	-12	-179.4	0	0	0	0	0	114	M106 L110 Y391 G392 T394	M106-A108 VanDerWaalsContact C-N 3.33Å; M106-A108 PolarHBondContact O-N 2.81Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 3.15Å; A108-Y391 WeakPolarHBondContact CB-O 3.3Å; A108-G392 PolarHBondContact N-O 2.86Å; A108-T394 PolarHBondContact N-O 3.2Å
109	A	93.4	Very high	92.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.008	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-86.3	12.1	-179.8	0	0	0	0	0	113.9	W102 M106 P107 T111 Y112	W102-A109 HydrophobicContact CE3-CB 3.75Å; W102-A109 HydrophobicContact CZ3-CB 3.7Å; M106-A109 HydrophobicContact CB-CB 3.88Å; M106-A109 HydrophobicContact CG-CB 4.18Å; M106-A109 WeakPolarHBondContact O-CB 3.24Å; M106-A109 PolarHBondContact O-N 2.84Å; M106-A109 HydrophobicContact SD-CB 4.1Å; P107-A109 PolarHBondContact O-N 2.9Å; A109-T111 VanDerWaalsContact C-N 3.32Å; A109-T111 PolarHBondContact O-N 3.03Å; A109-Y112 HydrophobicContact CB-CD2 4.05Å; A109-Y112 WeakPolarHBondContact O-CB 3.4Å; A109-Y112 PolarHBondContact O-N 3.24Å
110	L	90.4	Very high	92.6	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.209	22%	0.217	C	C	.	.	H	α-helix	trans	-39.5	-55.3	-179.9	172	60.1	0	0	0	113.6	P107 A108 Y112 N113 L114 L150 N151 A152	P107-L110 PolarHBondContact O-N 3.44Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 3.15Å; L110-Y112 PolarHBondContact O-N 3.11Å; L110-N113 PolarHBondContact O-N 2.85Å; L110-N113 PolarHBondContact O-ND2 3.27Å; L110-N113 PolarHBondContact O-OD1 3.44Å; L110-L114 HydrophobicContact CD1-CD1 4.34Å; L110-L114 HydrophobicContact CD1-CG 4.42Å; L110-L114 HydrophobicContact CG-CD1 4.45Å; L110-L114 PolarHBondContact O-N 3.01Å; L110-L150 WeakPolarHBondContact CD1-O 3.39Å; L110-N151 WeakPolarHBondContact CD1-O 3.42Å; L110-A152 HydrophobicContact CD2-CB 3.85Å
111	T	86.8	Confident	92.8	Very high	46 Å²	46	39.9 Å²	39.9	28%	0.282	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-28.7	-174.5	55.3	0	0	0	0	113.2	A109 L114 C115	A109-T111 VanDerWaalsContact C-N 3.32Å; A109-T111 PolarHBondContact O-N 3.03Å; T111-L114 PolarHBondContact O-N 3.47Å; T111-C115 PolarHBondContact O-N 2.93Å; T111-C115 PolarHBondContact O-SG 3.24Å
112	Y	89.8	Confident	92.8	Very high	104 Å²	104	42.3 Å²	42.3	41%	0.408	21%	0.208	S	C	.	.	H	α-helix	trans	-70.6	-32.1	179.4	-65.6	-81.9	0	0	0	113	W102 A109 L110	W102-Y112 HydrophobicContact CH2-CD1 4.17Å; W102-Y112 HydrophobicContact CH2-CD2 4.2Å; W102-Y112 HydrophobicContact CH2-CE1 4.49Å; W102-Y112 HydrophobicContact CH2-CG 4.01Å; W102-Y112 AromaticContact CZ3-CD2 3.94Å; W102-Y112 HydrophobicContact CZ3-CD2 3.94Å; W102-Y112 HydrophobicContact CZ3-CE2 4.35Å; W102-Y112 HydrophobicContact CZ3-CG 4.13Å; A109-Y112 HydrophobicContact CB-CD2 4.05Å; A109-Y112 WeakPolarHBondContact O-CB 3.4Å; A109-Y112 PolarHBondContact O-N 3.24Å; L110-Y112 PolarHBondContact O-N 3.11Å
113	N	87	Confident	92.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-80.1	-28.3	176.9	68.1	46.8	0	0	0	112.4	K103 L110 C115 D116 L150	K103-N113 HydrophobicContact CB-CB 4.43Å; K103-N113 WeakPolarHBondContact O-CB 3.35Å; K103-N113 PolarHBondContact O-ND2 3.03Å; L110-N113 PolarHBondContact O-N 2.85Å; L110-N113 PolarHBondContact O-ND2 3.27Å; L110-N113 PolarHBondContact O-OD1 3.44Å; N113-C115 PolarHBondContact O-N 3.2Å; N113-D116 PolarHBondContact O-N 2.83Å; N113-L150 HydrophobicContact CB-CG 4.42Å; N113-L150 PolarHBondContact OD1-O 3.4Å
114	L	89.4	Confident	93	Very high	16 Å²	16	39.2 Å²	39.2	8%	0.084	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-19	172.5	-59.8	-178.3	0	0	0	112	L110 T111 N120 F122 Y137 P139 L150 Y526	L110-L114 HydrophobicContact CD1-CD1 4.34Å; L110-L114 HydrophobicContact CD1-CG 4.42Å; L110-L114 HydrophobicContact CG-CD1 4.45Å; L110-L114 PolarHBondContact O-N 3.01Å; T111-L114 PolarHBondContact O-N 3.47Å; L114-N120 PolarHBondContact O-ND2 2.87Å; L114-F122 WeakPolarHBondContact O-CZ 3.39Å; L114-Y137 PolarHBondContact O-OH 2.88Å; L114-P139 HydrophobicContact CD2-CB 3.82Å; L114-P139 HydrophobicContact CD2-CG 4.03Å; L114-L150 HydrophobicContact CD2-CB 4.3Å; L114-L150 HydrophobicContact CD2-CD2 4.31Å; L114-Y526 HydrophobicContact CD1-CE2 4.46Å
115	C	87.4	Confident	93	Very high	71 Å²	71	39.1 Å²	39.1	48%	0.48	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	12.3	178	-58.1	0	0	0	0	113.7	T111 N113	T111-C115 PolarHBondContact O-N 2.93Å; T111-C115 PolarHBondContact O-SG 3.24Å; N113-C115 PolarHBondContact O-N 3.2Å
116	D	88.8	Confident	93	Very high	29 Å²	29	42.2 Å²	42.2	16%	0.155	22%	0.215	C	C	.	.			trans	-110.5	105.3	-176.5	-165.1	-41	0	0	0	111.1	K103 N113 K118 V119 N120	K103-D116 IonicContact NZ-OD2 2.64Å; K103-D116 PolarHBondContact NZ-OD2 2.87Å; N113-D116 PolarHBondContact O-N 2.83Å; D116-K118 PolarHBondContact O-N 3.42Å; D116-K118 VanDerWaalsContact O-N 3.14Å; D116-K118 WeakPolarHBondContact OD1-CB 3.47Å; D116-K118 PolarHBondContact OD1-N 3.46Å; D116-V119 HydrophobicContact CB-CG2 3.85Å; D116-V119 PolarHBondContact O-N 2.83Å; D116-V119 VanDerWaalsContact O-N 3.15Å; D116-N120 VanDerWaalsContact O-CB 3.31Å; D116-N120 WeakPolarHBondContact O-CB 3.32Å; D116-N120 PolarHBondContact O-N 3.29Å; D116-N120 VanDerWaalsContact O-N 3.17Å
117	D	89	Confident	93.1	Very high	103 Å²	103	45 Å²	45	55%	0.551	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.5	-177.3	68.1	-19.8	0	0	0	113.4	V119 N120 F122 R142	D117-V119 VanDerWaalsContact C-N 3.28Å; D117-V119 PolarHBondContact O-N 3.35Å; D117-N120 VanDerWaalsContact O-O 3.08Å; D117-F122 HydrophobicContact CB-CD2 4.36Å; D117-F122 HydrophobicContact CB-CE2 4.01Å; D117-R142 PolarHBondContact O-NH2 3.37Å
118	K	92	Very high	93.1	Very high	144 Å²	144	45.1 Å²	45.1	63%	0.626	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.6	179.7	-60.4	176.7	-176.7	175.4	0	112.3	P90 D116	P90-K118 VanDerWaalsContact CD-O 3.31Å; P90-K118 WeakPolarHBondContact CD-O 3.42Å; D116-K118 PolarHBondContact O-N 3.42Å; D116-K118 VanDerWaalsContact O-N 3.14Å; D116-K118 WeakPolarHBondContact OD1-CB 3.47Å; D116-K118 PolarHBondContact OD1-N 3.46Å
119	V	95.1	Very high	93.2	Very high	13 Å²	13	49.9 Å²	49.9	8%	0.079	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	3.6	-172.5	-61.1	0	0	0	0	113.5	P90 I104 D116 D117 R142 V143	P90-V119 HydrophobicContact CG-CG1 3.99Å; I104-V119 HydrophobicContact CD1-CG1 4.29Å; D116-V119 HydrophobicContact CB-CG2 3.85Å; D116-V119 PolarHBondContact O-N 2.83Å; D116-V119 VanDerWaalsContact O-N 3.15Å; D117-V119 VanDerWaalsContact C-N 3.28Å; D117-V119 PolarHBondContact O-N 3.35Å; V119-R142 CarbonylContact C-O 3.56Å; V119-R142 VanDerWaalsContact CA-O 3.29Å; V119-R142 WeakPolarHBondContact CA-O 3.37Å; V119-R142 PolarHBondContact O-N 2.94Å; V119-V143 HydrophobicContact CB-CB 4.05Å; V119-V143 HydrophobicContact CB-CG1 4.29Å; V119-V143 HydrophobicContact CG1-CB 4.09Å; V119-V143 HydrophobicContact CG1-CG2 4.07Å
120	N	95.8	Very high	93.4	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-134.7	139.5	-176.4	-179.4	-0.4	0	0	0	110.5	L114 D116 D117 F122 Y137 P139 R140 L150	L114-N120 PolarHBondContact O-ND2 2.87Å; D116-N120 VanDerWaalsContact O-CB 3.31Å; D116-N120 WeakPolarHBondContact O-CB 3.32Å; D116-N120 PolarHBondContact O-N 3.29Å; D116-N120 VanDerWaalsContact O-N 3.17Å; D117-N120 VanDerWaalsContact O-O 3.08Å; N120-F122 HydrophobicContact CB-CD2 3.82Å; N120-F122 HydrophobicContact CB-CE2 3.63Å; N120-F122 WeakPolarHBondContact O-CD2 3.37Å; N120-F122 PolarHBondContact OD1-N 2.78Å; N120-Y137 PolarHBondContact ND2-OH 3.37Å; N120-P139 VanDerWaalsContact ND2-CB 3.33Å; N120-P139 WeakPolarHBondContact ND2-CB 3.4Å; N120-P139 VanDerWaalsContact OD1-CA 3.23Å; N120-P139 WeakPolarHBondContact OD1-CA 3.29Å; N120-R140 CarbonylContact C-O 3.6Å; N120-R140 VanDerWaalsContact CA-O 3.24Å; N120-R140 WeakPolarHBondContact CA-O 3.33Å; N120-R140 PolarHBondContact OD1-N 2.87Å; N120-R140 PolarHBondContact OD1-O 3.11Å; N120-R140 VanDerWaalsContact OD1-O 3.12Å; N120-L150 HydrophobicContact CB-CD2 4.01Å
121	W	96.4	Very high	93.7	Very high	35 Å²	35	51 Å²	51	13%	0.133	25%	0.254	C	S	.	.			trans	-72.7	-27.6	177.8	-73.1	107.7	0	0	0	114.6	A88 Y123 R140 G141 R142 L277 N316 H461	A88-W121 HydrophobicContact CB-CH2 3.64Å; A88-W121 HydrophobicContact CB-CZ2 3.6Å; W121-Y123 HydrophobicContact CB-CD2 3.66Å; W121-Y123 HydrophobicContact CB-CE1 4.24Å; W121-Y123 HydrophobicContact CB-CE2 3.18Å; W121-Y123 HydrophobicContact CB-CG 4.35Å; W121-Y123 VanDerWaalsContact CB-CZ 3.49Å; W121-Y123 AromaticContact CD1-CE2 3.91Å; W121-Y123 HydrophobicContact CD2-CE2 4.29Å; W121-Y123 AromaticContact CD2-CZ 3.93Å; W121-Y123 VanDerWaalsContact CD2-OH 3.23Å; W121-Y123 HydrophobicContact CG-CD2 4.44Å; W121-Y123 AromaticContact CG-CE2 3.51Å; W121-Y123 HydrophobicContact CG-CE2 3.51Å; W121-Y123 AromaticContact CG-CZ 3.63Å; W121-R140 HydrophobicContact CB-CB 4.3Å; W121-R140 VanDerWaalsContact CD1-O 3.28Å; W121-R140 HydrophobicContact CG-CB 4.48Å; W121-R140 PolarHBondContact N-O 3.11Å; W121-G141 PolarHBondContact NE1-O 3.03Å; W121-R142 HydrophobicContact CD2-CB 4Å; W121-R142 HydrophobicContact CD2-CG 4.07Å; W121-R142 HydrophobicContact CG-CB 4.02Å; W121-R142 HydrophobicContact CH2-CG 4.18Å; W121-R142 HydrophobicContact CZ2-CB 4.27Å; W121-R142 HydrophobicContact CZ2-CG 3.64Å; W121-L277 HydrophobicContact CH2-CD1 3.9Å; W121-N316 PolarHBondContact NE1-ND2 2.72Å; W121-H461 PolarHBondContact O-CE1 3.23Å; W121-H461 PolarHBondContact O-NE2 2.94Å
122	F	94.8	Very high	94.1	Very high	62 Å²	62	53 Å²	53	27%	0.272	26%	0.263	S	S	.	.			trans	56.1	50.1	-176.7	-74.1	-100.8	0	0	0	114.8	L114 D117 N120 H124 Y137	L114-F122 WeakPolarHBondContact O-CZ 3.39Å; D117-F122 HydrophobicContact CB-CD2 4.36Å; D117-F122 HydrophobicContact CB-CE2 4.01Å; N120-F122 HydrophobicContact CB-CD2 3.82Å; N120-F122 HydrophobicContact CB-CE2 3.63Å; N120-F122 WeakPolarHBondContact O-CD2 3.37Å; N120-F122 PolarHBondContact OD1-N 2.78Å; F122-H124 PolarHBondContact O-CE1 3.06Å; F122-H124 PolarHBondContact O-ND1 3.35Å; F122-H124 VanDerWaalsContact O-ND1 3.08Å; F122-Y137 HydrophobicContact CB-CE2 4.26Å; F122-Y137 HydrophobicContact CD1-CD2 4.48Å; F122-Y137 AromaticContact CD1-CE2 3.45Å; F122-Y137 HydrophobicContact CD1-CE2 3.45Å; F122-Y137 VanDerWaalsContact CD1-CE2 3.45Å; F122-Y137 AromaticContact CD1-CZ 3.85Å; F122-Y137 WeakPolarHBondContact CD1-OH 3.24Å; F122-Y137 HydrophobicContact CE1-CE2 4.04Å; F122-Y137 AromaticContact CE1-CZ 3.97Å; F122-Y137 VanDerWaalsContact CE1-OH 3.31Å; F122-Y137 WeakPolarHBondContact CE1-OH 3.42Å; F122-Y137 HydrophobicContact CG-CE2 4.03Å
123	Y	97.2	Very high	94.5	Very high	1 Å²	1	53 Å²	53	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	157.3	173.3	-61.4	-66.7	0	0	0	111.6	W121 W138 R140 I315 N316 H461 I464	W121-Y123 HydrophobicContact CB-CD2 3.66Å; W121-Y123 HydrophobicContact CB-CE1 4.24Å; W121-Y123 HydrophobicContact CB-CE2 3.18Å; W121-Y123 HydrophobicContact CB-CG 4.35Å; W121-Y123 VanDerWaalsContact CB-CZ 3.49Å; W121-Y123 AromaticContact CD1-CE2 3.91Å; W121-Y123 HydrophobicContact CD2-CE2 4.29Å; W121-Y123 AromaticContact CD2-CZ 3.93Å; W121-Y123 VanDerWaalsContact CD2-OH 3.23Å; W121-Y123 HydrophobicContact CG-CD2 4.44Å; W121-Y123 AromaticContact CG-CE2 3.51Å; W121-Y123 HydrophobicContact CG-CE2 3.51Å; W121-Y123 AromaticContact CG-CZ 3.63Å; Y123-W138 WeakPolarHBondContact CB-O 3.45Å; Y123-W138 PolarHBondContact N-O 2.77Å; Y123-W138 PolarHBondContact O-N 3.41Å; Y123-R140 HydrophobicContact CD2-CB 4Å; Y123-R140 HydrophobicContact CD2-CG 4.02Å; Y123-R140 HydrophobicContact CE2-CB 3.91Å; Y123-R140 HydrophobicContact CE2-CG 4.2Å; Y123-I315 HydrophobicContact CD1-CG2 4.35Å; Y123-I315 HydrophobicContact CD2-CD1 3.6Å; Y123-I315 HydrophobicContact CD2-CG2 4.37Å; Y123-I315 HydrophobicContact CE1-CG2 3.98Å; Y123-I315 HydrophobicContact CE2-CB 4.38Å; Y123-I315 HydrophobicContact CE2-CD1 3.9Å; Y123-I315 HydrophobicContact CE2-CG2 3.98Å; Y123-I315 HydrophobicContact CG-CD1 4.18Å; Y123-N316 VanDerWaalsContact OH-CG 3.24Å; Y123-N316 PolarHBondContact OH-ND2 3.44Å; Y123-N316 PolarHBondContact OH-OD1 2.78Å; Y123-H461 HydrophobicContact CD1-CB 4.06Å; Y123-H461 AromaticContact CD1-CE1 4Å; Y123-H461 AromaticContact CD1-CG 3.67Å; Y123-H461 AromaticContact CD1-ND1 3.59Å; Y123-H461 HydrophobicContact CE1-CB 4.26Å; Y123-H461 AromaticContact CE1-CD2 3.78Å; Y123-H461 AromaticContact CE1-CG 3.78Å; Y123-I464 HydrophobicContact CD1-CD1 4.13Å; Y123-I464 HydrophobicContact CG-CD1 4.02Å
124	H	97.1	Very high	95	Very high	94 Å²	94	55.7 Å²	55.7	44%	0.435	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	143.6	173.7	-67.5	77.6	0	0	0	108.7	F122 V135 M136 Y137	F122-H124 PolarHBondContact O-CE1 3.06Å; F122-H124 PolarHBondContact O-ND1 3.35Å; F122-H124 VanDerWaalsContact O-ND1 3.08Å; H124-V135 HydrophobicContact CB-CG1 3.85Å; H124-M136 VanDerWaalsContact CA-O 3.3Å; H124-M136 WeakPolarHBondContact CA-O 3.4Å; H124-Y137 AromaticContact NE2-CD2 3.85Å
125	T	97.6	Very high	95.3	Very high	9 Å²	9	58.8 Å²	58.8	6%	0.055	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-72	170.3	172.4	66.7	0	0	0	0	110.8	V135 M136 W138 I464 P466	T125-V135 WeakPolarHBondContact O-CG1 3.23Å; T125-M136 HydrophobicContact CG2-CB 3.96Å; T125-M136 PolarHBondContact N-O 3.43Å; T125-M136 PolarHBondContact OG1-N 2.74Å; T125-W138 HydrophobicContact CG2-CD2 4.18Å; T125-W138 HydrophobicContact CG2-CG 4.43Å; T125-W138 HydrophobicContact CG2-CZ2 3.9Å; T125-I464 CarbonylContact C-O 3.5Å; T125-I464 WeakPolarHBondContact CA-O 3.12Å; T125-I464 HydrophobicContact CG2-CG2 4.09Å; T125-P466 HydrophobicContact CG2-CG 3.98Å
126	L	97.6	Very high	95.6	Very high	66 Å²	66	55.5 Å²	55.5	35%	0.346	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-63.5	167.8	155.9	-69.6	-175.8	0	0	0	110.8	Q128 I463 I464 Q465	L126-Q128 PolarHBondContact O-N 3.31Å; L126-Q128 PolarHBondContact O-NE2 2.88Å; L126-I463 HydrophobicContact CD1-CG2 3.53Å; L126-I463 HydrophobicContact CD2-CG2 3.98Å; L126-I463 HydrophobicContact CG-CG2 3.71Å; L126-I464 PolarHBondContact N-O 3.21Å; L126-Q465 HydrophobicContact CD1-CB 4.34Å
127	P	98	Very high	95.9	Very high	72 Å²	72	54.9 Å²	54.9	47%	0.468	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-55.2	125.5	163.7	-24.6	35.4	0	0	0	110.2	N133 V135	P127-N133 HydrophobicContact CB-CB 4.32Å; P127-V135 HydrophobicContact CB-CG2 4.44Å; P127-V135 HydrophobicContact CG-CG2 3.98Å
128	Q	97.6	Very high	96.1	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-96.4	108.2	-175.8	-60.9	-55.7	-67.9	0	0	110.2	L126 H130 V131 N133 R134 Y468	L126-Q128 PolarHBondContact O-N 3.31Å; L126-Q128 PolarHBondContact O-NE2 2.88Å; Q128-H130 VanDerWaalsContact C-N 3.34Å; Q128-H130 PolarHBondContact O-N 2.97Å; Q128-V131 HydrophobicContact CB-CG2 3.14Å; Q128-V131 HydrophobicContact CG-CG2 4.06Å; Q128-V131 CarbonylContact O-C 3.54Å; Q128-V131 PolarHBondContact O-N 3.38Å; Q128-V131 VanDerWaalsContact O-N 3.15Å; Q128-N133 WeakPolarHBondContact O-CA 3.19Å; Q128-N133 PolarHBondContact O-N 3.17Å; Q128-R134 PolarHBondContact N-O 3.48Å; Q128-Y468 HydrophobicContact CG-CD2 4.21Å
129	E	96.8	Very high	96.3	Very high	138 Å²	138	43.2 Å²	43.2	65%	0.645	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-51.5	-48.9	-172.1	-178.1	177.3	169.1	0	0	112.9	V131	E129-V131 VanDerWaalsContact C-N 3.27Å; E129-V131 PolarHBondContact O-N 2.93Å
130	H	96.9	Very high	96.3	Very high	65 Å²	65	44 Å²	44	30%	0.301	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-83.3	2.7	-172.9	-49.5	-71.9	0	0	0	114.4	Q128 Y468 L469 S470 R519	Q128-H130 VanDerWaalsContact C-N 3.34Å; Q128-H130 PolarHBondContact O-N 2.97Å; H130-Y468 WeakPolarHBondContact CB-O 3.38Å; H130-L469 HydrophobicContact CB-CB 4.29Å; H130-L469 VanDerWaalsContact CB-O 3.25Å; H130-L469 WeakPolarHBondContact CB-O 3.44Å; H130-S470 VanDerWaalsContact CD2-CA 3.41Å; H130-S470 WeakPolarHBondContact CD2-CA 3.39Å; H130-R519 WeakPolarHBondContact O-CD 3.27Å; H130-R519 VanDerWaalsContact O-CG 3.3Å; H130-R519 WeakPolarHBondContact O-CG 3.42Å; H130-R519 PolarHBondContact O-NH1 3.14Å
131	V	95.8	Very high	96.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-128.2	46.6	175.8	-67	0	0	0	0	110.5	Q128 E129 N133 R134 M136 L469 R519	Q128-V131 HydrophobicContact CB-CG2 3.14Å; Q128-V131 HydrophobicContact CG-CG2 4.06Å; Q128-V131 CarbonylContact O-C 3.54Å; Q128-V131 PolarHBondContact O-N 3.38Å; Q128-V131 VanDerWaalsContact O-N 3.15Å; E129-V131 VanDerWaalsContact C-N 3.27Å; E129-V131 PolarHBondContact O-N 2.93Å; V131-N133 PolarHBondContact O-N 2.87Å; V131-R134 WeakPolarHBondContact O-CB 3.21Å; V131-R134 VanDerWaalsContact O-CG 3.29Å; V131-R134 WeakPolarHBondContact O-CG 3.48Å; V131-R134 PolarHBondContact O-N 3.46Å; V131-R134 PolarHBondContact O-NE 2.87Å; V131-M136 HydrophobicContact CB-CE 4.14Å; V131-M136 HydrophobicContact CG1-CE 4.4Å; V131-M136 HydrophobicContact CG2-CE 3.63Å; V131-L469 HydrophobicContact CG1-CB 4.21Å; V131-L469 HydrophobicContact CG1-CD1 3.55Å; V131-L469 HydrophobicContact CG1-CG 3.86Å; V131-R519 CarbonylContact C-O 3.43Å; V131-R519 WeakPolarHBondContact CA-O 3.32Å; V131-R519 WeakPolarHBondContact CB-O 3.45Å
132	N	97	Very high	96.5	Very high	88 Å²	88	46.1 Å²	46.1	47%	0.471	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	35.7	175.8	-59.2	-24.6	0	0	0	114.1	R134	N132-R134 PolarHBondContact O-N 3.23Å; N132-R134 VanDerWaalsContact O-N 3.08Å
133	N	97.2	Very high	96.7	Very high	105 Å²	105	43.2 Å²	43.2	56%	0.561	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	23.7	-179	-64.2	-62	0	0	0	113.9	P127 Q128 V131	P127-N133 HydrophobicContact CB-CB 4.32Å; Q128-N133 WeakPolarHBondContact O-CA 3.19Å; Q128-N133 PolarHBondContact O-N 3.17Å; V131-N133 PolarHBondContact O-N 2.87Å
134	R	96.6	Very high	96.7	Very high	55 Å²	55	43.5 Å²	43.5	21%	0.208	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-65.3	142.8	176.4	-69.6	-174.2	-63.4	139.1	-2.5	110.1	Q128 V131 N132 R519 D520 A522	Q128-R134 PolarHBondContact N-O 3.48Å; V131-R134 WeakPolarHBondContact O-CB 3.21Å; V131-R134 VanDerWaalsContact O-CG 3.29Å; V131-R134 WeakPolarHBondContact O-CG 3.48Å; V131-R134 PolarHBondContact O-N 3.46Å; V131-R134 PolarHBondContact O-NE 2.87Å; N132-R134 PolarHBondContact O-N 3.23Å; N132-R134 VanDerWaalsContact O-N 3.08Å; R134-R519 PolarHBondContact NE-O 3.27Å; R134-R519 PolarHBondContact NH2-O 3.17Å; R134-D520 VanDerWaalsContact CZ-C 3.46Å; R134-D520 PolarHBondContact NE-O 3.49Å; R134-D520 PolarHBondContact NH1-O 3.11Å; R134-A522 VanDerWaalsContact CZ-O 3.28Å; R134-A522 PolarHBondContact NH1-O 3.46Å; R134-A522 PolarHBondContact NH2-O 3.42Å
135	V	96.6	Very high	96.8	Very high	81 Å²	81	39 Å²	39	49%	0.491	20%	0.197	S	C	.	.			trans	-97.2	114.9	168.4	171.2	0	0	0	0	106.8	H124 T125 P127	H124-V135 HydrophobicContact CB-CG1 3.85Å; T125-V135 WeakPolarHBondContact O-CG1 3.23Å; P127-V135 HydrophobicContact CB-CG2 4.44Å; P127-V135 HydrophobicContact CG-CG2 3.98Å
136	M	94.4	Very high	96.8	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.015	20%	0.197	C	C	.	.			trans	-91	139.4	-174.6	-66.8	-174.5	176.1	0	0	111.2	H124 T125 V131 Y468 A522	H124-M136 VanDerWaalsContact CA-O 3.3Å; H124-M136 WeakPolarHBondContact CA-O 3.4Å; T125-M136 HydrophobicContact CG2-CB 3.96Å; T125-M136 PolarHBondContact N-O 3.43Å; T125-M136 PolarHBondContact OG1-N 2.74Å; V131-M136 HydrophobicContact CB-CE 4.14Å; V131-M136 HydrophobicContact CG1-CE 4.4Å; V131-M136 HydrophobicContact CG2-CE 3.63Å; M136-Y468 HydrophobicContact CE-CD2 4.02Å; M136-Y468 HydrophobicContact SD-CD2 3.32Å; M136-Y468 WeakPolarHBondContact SD-CD2 3.32Å; M136-Y468 HydrophobicContact SD-CE2 3.29Å; M136-Y468 WeakPolarHBondContact SD-CE2 3.43Å; M136-A522 WeakPolarHBondContact CE-O 3.46Å
137	Y	93.9	Very high	96.8	Very high	15 Å²	15	37.5 Å²	37.5	6%	0.059	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.6	178.6	170.4	-124.1	0	0	0	110.5	L114 N120 F122 H124 P139 Y526	L114-Y137 PolarHBondContact O-OH 2.88Å; N120-Y137 PolarHBondContact ND2-OH 3.37Å; F122-Y137 HydrophobicContact CB-CE2 4.26Å; F122-Y137 HydrophobicContact CD1-CD2 4.48Å; F122-Y137 AromaticContact CD1-CE2 3.45Å; F122-Y137 HydrophobicContact CD1-CE2 3.45Å; F122-Y137 VanDerWaalsContact CD1-CE2 3.45Å; F122-Y137 AromaticContact CD1-CZ 3.85Å; F122-Y137 WeakPolarHBondContact CD1-OH 3.24Å; F122-Y137 HydrophobicContact CE1-CE2 4.04Å; F122-Y137 AromaticContact CE1-CZ 3.97Å; F122-Y137 VanDerWaalsContact CE1-OH 3.31Å; F122-Y137 WeakPolarHBondContact CE1-OH 3.42Å; F122-Y137 HydrophobicContact CG-CE2 4.03Å; H124-Y137 AromaticContact NE2-CD2 3.85Å; Y137-P139 HydrophobicContact CD1-CG 4.41Å; Y137-P139 HydrophobicContact CE1-CB 3.87Å; Y137-P139 HydrophobicContact CE1-CG 3.86Å; Y137-P139 HydrophobicContact CE2-CB 4.45Å; Y137-P139 WeakPolarHBondContact O-CD 3.41Å; Y137-P139 WeakPolarHBondContact OH-CB 3.29Å; Y137-Y526 WeakPolarHBondContact O-CE1 3.46Å
138	W	94.5	Very high	96.9	Very high	3 Å²	3	34 Å²	34	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	88.1	177.4	-78.1	18.5	0	0	0	109.6	Y123 T125 I315 L350 I464 P466 Y468 P528	Y123-W138 WeakPolarHBondContact CB-O 3.45Å; Y123-W138 PolarHBondContact N-O 2.77Å; Y123-W138 PolarHBondContact O-N 3.41Å; T125-W138 HydrophobicContact CG2-CD2 4.18Å; T125-W138 HydrophobicContact CG2-CG 4.43Å; T125-W138 HydrophobicContact CG2-CZ2 3.9Å; W138-I315 HydrophobicContact CE3-CD1 3.84Å; W138-I315 HydrophobicContact CZ3-CD1 4.22Å; W138-L350 HydrophobicContact CH2-CD1 4.28Å; W138-L350 HydrophobicContact CH2-CD2 3.93Å; W138-L350 HydrophobicContact CH2-CG 4.41Å; W138-L350 HydrophobicContact CZ3-CD1 4.42Å; W138-L350 HydrophobicContact CZ3-CD2 4.33Å; W138-I464 HydrophobicContact CD2-CG2 4.3Å; W138-I464 HydrophobicContact CE3-CD1 4.24Å; W138-I464 HydrophobicContact CE3-CG2 3.72Å; W138-I464 HydrophobicContact CH2-CG2 3.54Å; W138-I464 HydrophobicContact CZ2-CG2 4.08Å; W138-I464 HydrophobicContact CZ3-CG2 3.32Å; W138-P466 HydrophobicContact CH2-CB 4.07Å; W138-P466 HydrophobicContact CH2-CG 4.36Å; W138-P466 HydrophobicContact CZ2-CB 3.86Å; W138-P466 HydrophobicContact CZ2-CG 3.82Å; W138-Y468 HydrophobicContact CZ2-CE2 4.16Å; W138-Y468 AromaticContact CZ2-CZ 3.75Å; W138-Y468 WeakPolarHBondContact CZ2-OH 3.29Å; W138-P528 HydrophobicContact CE3-CB 4.41Å; W138-P528 HydrophobicContact CE3-CG 4.42Å; W138-P528 HydrophobicContact CH2-CB 4.15Å; W138-P528 HydrophobicContact CZ3-CB 3.76Å; W138-P528 HydrophobicContact CZ3-CG 4.25Å
139	P	94.8	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.			trans	-58.9	147.5	168.5	25.7	-29.7	0	0	0	108	L114 N120 Y137 Y526	L114-P139 HydrophobicContact CD2-CB 3.82Å; L114-P139 HydrophobicContact CD2-CG 4.03Å; N120-P139 VanDerWaalsContact ND2-CB 3.33Å; N120-P139 WeakPolarHBondContact ND2-CB 3.4Å; N120-P139 VanDerWaalsContact OD1-CA 3.23Å; N120-P139 WeakPolarHBondContact OD1-CA 3.29Å; Y137-P139 HydrophobicContact CD1-CG 4.41Å; Y137-P139 HydrophobicContact CE1-CB 3.87Å; Y137-P139 HydrophobicContact CE1-CG 3.86Å; Y137-P139 HydrophobicContact CE2-CB 4.45Å; Y137-P139 WeakPolarHBondContact O-CD 3.41Å; Y137-P139 WeakPolarHBondContact OH-CB 3.29Å; P139-Y526 HydrophobicContact CG-CD1 3.97Å; P139-Y526 HydrophobicContact CG-CD2 3.93Å; P139-Y526 HydrophobicContact CG-CE1 3.75Å; P139-Y526 HydrophobicContact CG-CE2 3.67Å; P139-Y526 HydrophobicContact CG-CG 4.04Å
140	R	96.6	Very high	96.8	Very high	30 Å²	30	27.4 Å²	27.4	11%	0.113	14%	0.14	C	C	.	.			trans	-150.4	140	166.2	-79.2	-58	94.2	-105.2	-15.4	110.9	N120 W121 Y123 R142 S147 I315	N120-R140 CarbonylContact C-O 3.6Å; N120-R140 VanDerWaalsContact CA-O 3.24Å; N120-R140 WeakPolarHBondContact CA-O 3.33Å; N120-R140 PolarHBondContact OD1-N 2.87Å; N120-R140 PolarHBondContact OD1-O 3.11Å; N120-R140 VanDerWaalsContact OD1-O 3.12Å; W121-R140 HydrophobicContact CB-CB 4.3Å; W121-R140 VanDerWaalsContact CD1-O 3.28Å; W121-R140 HydrophobicContact CG-CB 4.48Å; W121-R140 PolarHBondContact N-O 3.11Å; Y123-R140 HydrophobicContact CD2-CB 4Å; Y123-R140 HydrophobicContact CD2-CG 4.02Å; Y123-R140 HydrophobicContact CE2-CB 3.91Å; Y123-R140 HydrophobicContact CE2-CG 4.2Å; R140-R142 PolarHBondContact O-N 2.65Å; R140-S147 VanDerWaalsContact NH1-CB 3.27Å; R140-S147 PolarHBondContact NH1-OG 3.27Å; R140-I315 HydrophobicContact CG-CD1 4.04Å
141	G	97.6	Very high	96.8	Very high	10 Å²	10	25.8 Å²	25.8	10%	0.103	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-65.3	125.3	-175.8	0	0	0	0	0	112.7	W121	W121-G141 PolarHBondContact NE1-O 3.03Å
142	R	97.9	Very high	96.7	Very high	70 Å²	70	27.2 Å²	27.2	26%	0.264	15%	0.145	S	C	.	.			trans	-120.4	71.1	171.5	-173.6	175.8	68.5	180	0.3	107.9	A88 G89 P90 D117 V119 W121 R140	A88-R142 HydrophobicContact CB-CG 4.26Å; G89-R142 VanDerWaalsContact CA-O 3.24Å; G89-R142 WeakPolarHBondContact CA-O 3.42Å; P90-R142 WeakPolarHBondContact CD-O 3.32Å; D117-R142 PolarHBondContact O-NH2 3.37Å; V119-R142 CarbonylContact C-O 3.56Å; V119-R142 VanDerWaalsContact CA-O 3.29Å; V119-R142 WeakPolarHBondContact CA-O 3.37Å; V119-R142 PolarHBondContact O-N 2.94Å; W121-R142 HydrophobicContact CD2-CB 4Å; W121-R142 HydrophobicContact CD2-CG 4.07Å; W121-R142 HydrophobicContact CG-CB 4.02Å; W121-R142 HydrophobicContact CH2-CG 4.18Å; W121-R142 HydrophobicContact CZ2-CB 4.27Å; W121-R142 HydrophobicContact CZ2-CG 3.64Å; R140-R142 PolarHBondContact O-N 2.65Å
143	V	98.3	Very high	96.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-168.8	161.1	-173	62.1	0	0	0	0	108	E87 P90 D92 I104 V119 G145 G146 L150	E87-V143 PolarHBondContact OE1-N 2.55Å; P90-V143 HydrophobicContact CG-CG2 4.37Å; P90-V143 WeakPolarHBondContact O-CA 3.19Å; P90-V143 WeakPolarHBondContact O-CG2 3.23Å; D92-V143 HydrophobicContact CB-CG2 4.22Å; I104-V143 HydrophobicContact CD1-CG2 4.08Å; V119-V143 HydrophobicContact CB-CB 4.05Å; V119-V143 HydrophobicContact CB-CG1 4.29Å; V119-V143 HydrophobicContact CG1-CB 4.09Å; V119-V143 HydrophobicContact CG1-CG2 4.07Å; V143-G145 PolarHBondContact O-N 3.25Å; V143-G146 VanDerWaalsContact O-CA 3.27Å; V143-G146 WeakPolarHBondContact O-CA 3.41Å; V143-G146 PolarHBondContact O-N 3.01Å; V143-L150 HydrophobicContact CG1-CD1 3.69Å
144	W	98.5	Very high	96.7	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.027	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	131.4	167.2	-78.4	-1.6	0	0	0	112.4	P90 K91 D92 G146 S149 A257 L261 L265 T272 V274	P90-W144 PolarHBondContact O-N 3.48Å; K91-W144 HydrophobicContact CB-CD2 4.04Å; K91-W144 HydrophobicContact CB-CE3 3.81Å; K91-W144 HydrophobicContact CB-CZ3 4.11Å; K91-W144 HydrophobicContact CD-CE3 4.28Å; K91-W144 HydrophobicContact CD-CH2 3.58Å; K91-W144 HydrophobicContact CD-CZ2 4.03Å; K91-W144 HydrophobicContact CD-CZ3 3.71Å; K91-W144 VanDerWaalsContact CE-CH2 3.46Å; K91-W144 HydrophobicContact CG-CD2 3.89Å; K91-W144 HydrophobicContact CG-CE3 3.82Å; K91-W144 HydrophobicContact CG-CH2 3.76Å; K91-W144 HydrophobicContact CG-CZ2 3.79Å; K91-W144 HydrophobicContact CG-CZ3 3.76Å; D92-W144 HydrophobicContact CB-CB 4.14Å; W144-G146 VanDerWaalsContact C-N 3.26Å; W144-S149 PolarHBondContact O-OG 2.73Å; W144-A257 HydrophobicContact CB-CB 4.05Å; W144-L261 HydrophobicContact CB-CD2 4.49Å; W144-L261 HydrophobicContact CD2-CD2 3.78Å; W144-L261 HydrophobicContact CE3-CD2 4.08Å; W144-L261 HydrophobicContact CG-CD2 4Å; W144-L265 HydrophobicContact CH2-CD1 4.14Å; W144-L265 HydrophobicContact CH2-CD2 4.04Å; W144-L265 HydrophobicContact CZ3-CD1 3.93Å; W144-L265 HydrophobicContact CZ3-CD2 4.45Å; W144-T272 HydrophobicContact CZ2-CG2 4.43Å; W144-V274 HydrophobicContact CD2-CG1 4.44Å; W144-V274 HydrophobicContact CZ2-CG1 3.84Å
145	G	98.4	Very high	96.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	-10	-171.4	0	0	0	0	0	113.6	A64 G65 V143 S147 S148 T256	A64-G145 CarbonylContact O-C 3.52Å; A64-G145 VanDerWaalsContact O-CA 3.3Å; A64-G145 WeakPolarHBondContact O-CA 3.24Å; A64-G145 PolarHBondContact O-N 2.94Å; G65-G145 CarbonylContact C-O 3.44Å; V143-G145 PolarHBondContact O-N 3.25Å; G145-S147 PolarHBondContact O-N 3.24Å; G145-S148 WeakPolarHBondContact O-CB 3.44Å; G145-S148 PolarHBondContact O-N 3.46Å; G145-S148 VanDerWaalsContact O-N 3.09Å; G145-S148 PolarHBondContact O-OG 3Å; G145-T256 WeakPolarHBondContact CA-OG1 3.48Å
146	G	98.3	Very high	96.9	Very high	4 Å²	4	12.2 Å²	12.2	4%	0.041	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	49.3	-130.7	-177.7	0	0	0	0	0	112	A64 V143 W144 S148 S149	A64-G146 PolarHBondContact O-N 3.45Å; V143-G146 VanDerWaalsContact O-CA 3.27Å; V143-G146 WeakPolarHBondContact O-CA 3.41Å; V143-G146 PolarHBondContact O-N 3.01Å; W144-G146 VanDerWaalsContact C-N 3.26Å; G146-S148 PolarHBondContact O-N 3.15Å; G146-S149 WeakPolarHBondContact O-CB 3.43Å; G146-S149 PolarHBondContact O-N 3.28Å
147	S	98.2	Very high	97	Very high	39 Å²	39	12.2 Å²	12.2	27%	0.273	7%	0.066	S	C	.	.	G	3₁₀ helix	trans	-60.6	-25.2	-179.9	-61.9	0	0	0	0	114.1	R140 G145 S149 L150 N151	R140-S147 VanDerWaalsContact NH1-CB 3.27Å; R140-S147 PolarHBondContact NH1-OG 3.27Å; G145-S147 PolarHBondContact O-N 3.24Å; S147-S149 PolarHBondContact O-N 3.12Å; S147-L150 PolarHBondContact O-N 2.82Å; S147-N151 WeakPolarHBondContact O-CB 3.39Å; S147-N151 PolarHBondContact O-N 3.15Å
148	S	98.3	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-67.1	-21.3	174.6	75.9	0	0	0	0	113.3	G145 G146 L150 N151 R253 S255 T256 N573	G145-S148 WeakPolarHBondContact O-CB 3.44Å; G145-S148 PolarHBondContact O-N 3.46Å; G145-S148 VanDerWaalsContact O-N 3.09Å; G145-S148 PolarHBondContact O-OG 3Å; G146-S148 PolarHBondContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.34Å; S148-N151 PolarHBondContact O-OD1 3.15Å; S148-R253 PolarHBondContact O-NH1 2.77Å; S148-S255 WeakPolarHBondContact OG-CB 3.45Å; S148-T256 PolarHBondContact OG-N 3.01Å; S148-T256 PolarHBondContact OG-OG1 3.38Å; S148-T256 VanDerWaalsContact OG-OG1 3.09Å; S148-N573 WeakPolarHBondContact CB-OD1 3.49Å
149	S	97.9	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-83.1	-10	173.7	-66.9	0	0	0	0	113	W144 G146 S147 R253 S255	W144-S149 PolarHBondContact O-OG 2.73Å; G146-S149 WeakPolarHBondContact O-CB 3.43Å; G146-S149 PolarHBondContact O-N 3.28Å; S147-S149 PolarHBondContact O-N 3.12Å; S149-R253 PolarHBondContact O-NE 3.05Å; S149-S255 WeakPolarHBondContact OG-CB 3.5Å
150	L	95.6	Very high	97.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-21.4	179.9	-82.8	68.2	0	0	0	113.5	L110 N113 L114 N120 V143 S147 S148	L110-L150 WeakPolarHBondContact CD1-O 3.39Å; N113-L150 HydrophobicContact CB-CG 4.42Å; N113-L150 PolarHBondContact OD1-O 3.4Å; L114-L150 HydrophobicContact CD2-CB 4.3Å; L114-L150 HydrophobicContact CD2-CD2 4.31Å; N120-L150 HydrophobicContact CB-CD2 4.01Å; V143-L150 HydrophobicContact CG1-CD1 3.69Å; S147-L150 PolarHBondContact O-N 2.82Å; S148-L150 VanDerWaalsContact C-N 3.34Å
151	N	95.9	Very high	97.5	Very high	31 Å²	31	13.7 Å²	13.7	17%	0.166	8%	0.078	C	C	.	.	S	Bend	trans	-62.9	173.6	-169.4	71.6	5.8	0	0	0	114.7	L110 S147 S148 M153 R253	L110-N151 WeakPolarHBondContact CD1-O 3.42Å; S147-N151 WeakPolarHBondContact O-CB 3.39Å; S147-N151 PolarHBondContact O-N 3.15Å; S148-N151 PolarHBondContact O-OD1 3.15Å; N151-M153 PolarHBondContact O-N 3.21Å; N151-M153 WeakPolarHBondContact OD1-CA 3.46Å; N151-M153 PolarHBondContact OD1-N 3.18Å; N151-R253 PolarHBondContact O-NH1 2.86Å; N151-R253 PolarHBondContact O-NH2 3.42Å; N151-R253 PolarHBondContact OD1-NH1 3.21Å
152	A	95.2	Very high	97.6	Very high	30 Å²	30	13.2 Å²	13.2	25%	0.248	7%	0.073	C	C	.	.			trans	-77.8	9.6	174.2	0	0	0	0	0	114.4	L110 V154 A395 L397	L110-A152 HydrophobicContact CD2-CB 3.85Å; A152-V154 PolarHBondContact O-N 3.38Å; A152-A395 WeakPolarHBondContact O-CB 3.35Å; A152-L397 HydrophobicContact CB-CD1 3.7Å
153	M	97.4	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.061	C	C	.	.			trans	62.7	-4.2	179	-59.3	148	-73.1	0	0	116.7	P107 N151 Y155 M246 T247 I248 R253 A395	P107-M153 HydrophobicContact CB-CE 3.78Å; P107-M153 HydrophobicContact CB-SD 3.61Å; P107-M153 HydrophobicContact CG-SD 3.9Å; P107-M153 WeakPolarHBondContact O-CE 3.47Å; N151-M153 PolarHBondContact O-N 3.21Å; N151-M153 WeakPolarHBondContact OD1-CA 3.46Å; N151-M153 PolarHBondContact OD1-N 3.18Å; M153-Y155 PolarHBondContact O-N 2.93Å; M153-M246 CarbonylContact O-C 3.48Å; M153-M246 WeakPolarHBondContact O-CA 3.35Å; M153-T247 PolarHBondContact O-N 3.24Å; M153-T247 PolarHBondContact O-OG1 2.9Å; M153-I248 HydrophobicContact CB-CD1 4.47Å; M153-I248 HydrophobicContact CB-CG1 4.11Å; M153-I248 HydrophobicContact CG-CG1 4.3Å; M153-I248 HydrophobicContact SD-CD1 3.96Å; M153-I248 HydrophobicContact SD-CG1 3.77Å; M153-R253 HydrophobicContact CG-CG 4.07Å; M153-R253 HydrophobicContact SD-CB 3.96Å; M153-R253 HydrophobicContact SD-CG 4.14Å; M153-A395 HydrophobicContact CE-CB 3.49Å; M153-A395 VanDerWaalsContact CE-CB 3.49Å
154	V	96.9	Very high	97.6	Very high	8 Å²	8	12.1 Å²	12.1	5%	0.048	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	127.6	172.8	175.8	0	0	0	0	110.3	A152 I156 M244 L397 N571	A152-V154 PolarHBondContact O-N 3.38Å; V154-I156 HydrophobicContact CG1-CG1 3.77Å; V154-M244 HydrophobicContact CG1-SD 4.24Å; V154-L397 HydrophobicContact CG2-CB 3.99Å; V154-L397 HydrophobicContact CG2-CD1 3.78Å; V154-N571 WeakPolarHBondContact CG1-OD1 3.32Å
155	Y	98	Very high	97.6	Very high	5 Å²	5	14.2 Å²	14.2	2%	0.02	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	99.9	178	-177.8	-91.1	0	0	0	109.1	M153 R157 L203 V205 N234 D245 T247 A574	M153-Y155 PolarHBondContact O-N 2.93Å; Y155-R157 HydrophobicContact CE1-CG 3.98Å; Y155-R157 PolarHBondContact OH-NE 2.81Å; Y155-R157 VanDerWaalsContact OH-NE 3.12Å; Y155-L203 HydrophobicContact CD2-CD2 4.18Å; Y155-L203 HydrophobicContact CE2-CD2 3.84Å; Y155-V205 HydrophobicContact CD1-CG1 3.94Å; Y155-V205 HydrophobicContact CD1-CG2 4.24Å; Y155-V205 HydrophobicContact CD2-CG2 3.73Å; Y155-V205 HydrophobicContact CE1-CG2 4.46Å; Y155-V205 HydrophobicContact CE2-CG2 3.94Å; Y155-V205 HydrophobicContact CG-CG1 3.99Å; Y155-V205 HydrophobicContact CG-CG2 3.89Å; Y155-N234 PolarHBondContact O-ND2 3.41Å; Y155-D245 HydrophobicContact CD1-CB 4.26Å; Y155-D245 PolarHBondContact N-O 2.9Å; Y155-T247 HydrophobicContact CD2-CG2 3.89Å; Y155-A574 HydrophobicContact CD2-CB 3.86Å; Y155-A574 HydrophobicContact CE2-CB 3.45Å; Y155-A574 VanDerWaalsContact CE2-CB 3.45Å
156	I	98	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.081	C	C	.	.			trans	-124.5	138.7	171.2	-63.9	-64.1	0	0	0	108.6	V154 M233 N234 F402 N571 A574	V154-I156 HydrophobicContact CG1-CG1 3.77Å; I156-M233 HydrophobicContact CD1-CB 4.06Å; I156-M233 HydrophobicContact CD1-SD 4.28Å; I156-N234 VanDerWaalsContact CA-OD1 3.27Å; I156-N234 WeakPolarHBondContact CA-OD1 3.26Å; I156-F402 HydrophobicContact CD1-CE2 3.96Å; I156-F402 HydrophobicContact CD1-CZ 4.29Å; I156-F402 HydrophobicContact CG1-CE2 4.46Å; I156-F402 HydrophobicContact CG1-CZ 4.31Å; I156-F402 HydrophobicContact CG2-CE2 4.39Å; I156-F402 HydrophobicContact CG2-CZ 3.86Å; I156-N571 HydrophobicContact CB-CB 4.44Å; I156-N571 WeakPolarHBondContact CG1-OD1 3.5Å; I156-A574 WeakPolarHBondContact O-CB 3.27Å
157	R	97.8	Very high	97.6	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.015	9%	0.094	C	C	.	.			trans	-88.2	-42.9	175.4	-61.3	173.6	-177.9	173.7	-16.6	111.2	Y155 Y163 F183 Y196 N234 A574 P575	Y155-R157 HydrophobicContact CE1-CG 3.98Å; Y155-R157 PolarHBondContact OH-NE 2.81Å; Y155-R157 VanDerWaalsContact OH-NE 3.12Å; R157-Y163 PolarHBondContact O-OH 2.59Å; R157-F183 HydrophobicContact CB-CD1 4.23Å; R157-F183 HydrophobicContact CB-CE1 3.94Å; R157-F183 HydrophobicContact CB-CE2 4.3Å; R157-F183 HydrophobicContact CB-CZ 4Å; R157-F183 HydrophobicContact CG-CD1 3.66Å; R157-F183 HydrophobicContact CG-CE1 3.8Å; R157-F183 HydrophobicContact CG-CG 4.06Å; R157-F183 HydrophobicContact CG-CZ 4.33Å; R157-Y196 VanDerWaalsContact CZ-O 3.25Å; R157-Y196 PolarHBondContact NH1-O 3.12Å; R157-Y196 PolarHBondContact NH2-O 3.49Å; R157-N234 HydrophobicContact CG-CB 4.31Å; R157-N234 PolarHBondContact N-OD1 3.28Å; R157-N234 PolarHBondContact NH1-O 3.18Å; R157-A574 HydrophobicContact CG-CB 4.47Å; R157-P575 WeakPolarHBondContact O-CG 3.35Å
158	G	97.2	Very high	97.6	Very high	8 Å²	8	23.3 Å²	23.3	8%	0.082	11%	0.11	C	C	.	.			trans	115.5	175.3	-167.7	0	0	0	0	0	110.2	S569	G158-S569 WeakPolarHBondContact CA-O 3.49Å
159	H	98.2	Very high	97.5	Very high	15 Å²	15	26 Å²	26	7%	0.069	12%	0.123	C	C	.	.			trans	-83.7	147.9	178.4	-162.4	-104.3	0	0	0	110.7	E161 D162 Y163 Q238 H411	H159-E161 VanDerWaalsContact ND1-CB 3.27Å; H159-E161 WeakPolarHBondContact ND1-CB 3.33Å; H159-E161 PolarHBondContact ND1-N 3.24Å; H159-E161 VanDerWaalsContact ND1-N 3.15Å; H159-E161 PolarHBondContact O-N 2.87Å; H159-D162 WeakPolarHBondContact CB-OD2 3.48Å; H159-D162 PolarHBondContact N-OD2 2.77Å; H159-D162 WeakPolarHBondContact O-CB 3.05Å; H159-D162 PolarHBondContact O-N 2.88Å; H159-Y163 WeakPolarHBondContact O-CD2 3.5Å; H159-Q238 PolarHBondContact CD2-OE1 2.85Å; H159-H411 VanDerWaalsContact CB-CD2 3.49Å; H159-H411 WeakPolarHBondContact CB-CD2 3.24Å; H159-H411 WeakPolarHBondContact CE1-CB 3.38Å; H159-H411 AromaticContact CE1-CG 3.92Å; H159-H411 AromaticContact CG-CD2 3.41Å; H159-H411 VanDerWaalsContact CG-CD2 3.41Å; H159-H411 AromaticContact CG-CG 3.93Å; H159-H411 WeakPolarHBondContact ND1-CB 3.38Å; H159-H411 AromaticContact ND1-CD2 3.36Å; H159-H411 PolarHBondContact ND1-CD2 3.05Å; H159-H411 AromaticContact ND1-CG 3.49Å
160	G	97.6	Very high	97.5	Very high	3 Å²	3	27 Å²	27	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-55.4	-38	175.1	0	0	0	0	0	112.7	D162 Y163 N164	G160-D162 PolarHBondContact O-N 3.02Å; G160-Y163 PolarHBondContact O-N 2.89Å; G160-N164 PolarHBondContact O-N 3.28Å
161	E	97.4	Very high	97.6	Very high	53 Å²	53	27 Å²	27	25%	0.248	13%	0.133	C	C	.	.	H	α-helix	trans	-67.3	-20.5	179.8	-167.8	50.8	-147.3	0	0	114.2	H159 Y163 N164 R165 R168	H159-E161 VanDerWaalsContact ND1-CB 3.27Å; H159-E161 WeakPolarHBondContact ND1-CB 3.33Å; H159-E161 PolarHBondContact ND1-N 3.24Å; H159-E161 VanDerWaalsContact ND1-N 3.15Å; H159-E161 PolarHBondContact O-N 2.87Å; E161-Y163 VanDerWaalsContact C-N 3.32Å; E161-Y163 PolarHBondContact O-N 2.71Å; E161-N164 PolarHBondContact OE2-ND2 3.35Å; E161-R165 WeakPolarHBondContact O-CB 3.33Å; E161-R165 PolarHBondContact O-N 3.25Å; E161-R168 IonicContact OE1-CZ 3.88Å; E161-R168 IonicContact OE1-NH1 3.52Å; E161-R168 PolarHBondContact OE1-NH1 2.72Å; E161-R168 IonicContact OE1-NH2 3.56Å; E161-R168 PolarHBondContact OE1-NH2 3.27Å
162	D	98.2	Very high	97.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.9	-35.9	175.3	-57.5	-42	0	0	0	111.5	H159 G160 R165 W166 H411 V568 S569	H159-D162 WeakPolarHBondContact CB-OD2 3.48Å; H159-D162 PolarHBondContact N-OD2 2.77Å; H159-D162 WeakPolarHBondContact O-CB 3.05Å; H159-D162 PolarHBondContact O-N 2.88Å; G160-D162 PolarHBondContact O-N 3.02Å; D162-R165 WeakPolarHBondContact O-CB 3.48Å; D162-R165 IonicContact OD1-NH2 3.01Å; D162-W166 VanDerWaalsContact O-CD1 3.26Å; D162-W166 PolarHBondContact O-N 2.87Å; D162-W166 VanDerWaalsContact O-N 3.15Å; D162-H411 IonicContact OD1-CD2 3.13Å; D162-H411 IonicContact OD1-CE1 2.75Å; D162-H411 IonicContact OD1-NE2 3.32Å; D162-H411 PolarHBondContact OD1-NE2 3.37Å; D162-V568 HydrophobicContact CB-CB 3.98Å; D162-V568 HydrophobicContact CB-CG1 3.88Å; D162-S569 PolarHBondContact OD1-OG 3.21Å; D162-S569 WeakPolarHBondContact OD2-CA 3.45Å; D162-S569 WeakPolarHBondContact OD2-CB 3.41Å; D162-S569 PolarHBondContact OD2-N 2.95Å; D162-S569 PolarHBondContact OD2-OG 3.19Å
163	Y	98.6	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-76.8	-40.3	176.5	-57.1	-70.4	0	0	0	111.5	R157 H159 G160 E161 R165 W166 Q167 W174 D175 Y176 C179 F183 V568 M578	R157-Y163 PolarHBondContact O-OH 2.59Å; H159-Y163 WeakPolarHBondContact O-CD2 3.5Å; G160-Y163 PolarHBondContact O-N 2.89Å; E161-Y163 VanDerWaalsContact C-N 3.32Å; E161-Y163 PolarHBondContact O-N 2.71Å; Y163-R165 PolarHBondContact O-N 3.11Å; Y163-W166 HydrophobicContact CD1-CD2 4.16Å; Y163-W166 AromaticContact CD1-CE3 3.66Å; Y163-W166 HydrophobicContact CD1-CE3 3.66Å; Y163-W166 HydrophobicContact CD1-CH2 4.21Å; Y163-W166 AromaticContact CD1-CZ3 3.68Å; Y163-W166 HydrophobicContact CD1-CZ3 3.68Å; Y163-W166 HydrophobicContact CE1-CE3 4.19Å; Y163-W166 AromaticContact CE1-CH2 3.89Å; Y163-W166 HydrophobicContact CE1-CH2 3.89Å; Y163-W166 HydrophobicContact CE1-CZ2 4.46Å; Y163-W166 AromaticContact CE1-CZ3 3.75Å; Y163-W166 HydrophobicContact CE1-CZ3 3.75Å; Y163-W166 WeakPolarHBondContact O-CB 3.31Å; Y163-W166 PolarHBondContact O-N 2.88Å; Y163-Q167 PolarHBondContact O-N 2.84Å; Y163-Q167 VanDerWaalsContact O-N 3.12Å; Y163-W174 WeakPolarHBondContact CB-O 3.5Å; Y163-D175 WeakPolarHBondContact O-CA 3.39Å; Y163-Y176 AromaticContact CD2-CD2 3.69Å; Y163-Y176 HydrophobicContact CD2-CD2 3.69Å; Y163-Y176 HydrophobicContact CD2-CE2 4.4Å; Y163-Y176 HydrophobicContact CE2-CD2 4.24Å; Y163-C179 HydrophobicContact CD1-CB 4.13Å; Y163-C179 HydrophobicContact CG-CB 4.21Å; Y163-F183 HydrophobicContact CE1-CE2 4.29Å; Y163-F183 HydrophobicContact CE1-CZ 4.39Å; Y163-F183 HydrophobicContact CE2-CE2 4.06Å; Y163-F183 AromaticContact CZ-CE2 3.68Å; Y163-F183 AromaticContact CZ-CZ 3.81Å; Y163-F183 WeakPolarHBondContact OH-CE2 3.38Å; Y163-F183 WeakPolarHBondContact OH-CZ 3.46Å; Y163-V568 HydrophobicContact CE1-CG1 4.01Å; Y163-M578 HydrophobicContact CD1-CE 4.35Å; Y163-M578 HydrophobicContact CE1-CE 3.82Å
164	N	98.3	Very high	97.9	Very high	46 Å²	46	32.3 Å²	32.3	25%	0.246	16%	0.157	C	C	.	.	H	α-helix	trans	-58.2	-36.1	172.1	-63.1	-17.5	0	0	0	111	G160 E161 Q167 R168 Y176	G160-N164 PolarHBondContact O-N 3.28Å; E161-N164 PolarHBondContact OE2-ND2 3.35Å; N164-Q167 PolarHBondContact O-N 3.23Å; N164-R168 PolarHBondContact O-N 2.91Å; N164-R168 PolarHBondContact O-NH1 3.03Å; N164-Y176 PolarHBondContact OD1-N 2.98Å
165	R	98.2	Very high	97.9	Very high	52 Å²	52	32.8 Å²	32.8	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-44.3	171.2	179.8	-175.7	57.9	-173.5	-3	112.2	E161 D162 Y163 Q167 R168 E169 V567	E161-R165 WeakPolarHBondContact O-CB 3.33Å; E161-R165 PolarHBondContact O-N 3.25Å; D162-R165 WeakPolarHBondContact O-CB 3.48Å; D162-R165 IonicContact OD1-NH2 3.01Å; Y163-R165 PolarHBondContact O-N 3.11Å; R165-Q167 VanDerWaalsContact C-N 3.25Å; R165-Q167 PolarHBondContact O-N 3.48Å; R165-R168 CarbonylContact O-C 3.53Å; R165-R168 WeakPolarHBondContact O-CA 3.36Å; R165-R168 WeakPolarHBondContact O-CB 3.28Å; R165-R168 PolarHBondContact O-N 3.14Å; R165-E169 HydrophobicContact CG-CG 4.19Å; R165-E169 IonicContact NE-OE1 3.12Å; R165-E169 WeakPolarHBondContact O-CG 3.46Å; R165-E169 PolarHBondContact O-N 3.22Å; R165-V567 PolarHBondContact NH2-O 2.87Å
166	W	98.6	Very high	98	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-54.2	-43.3	175.7	-68.8	-5.9	0	0	0	112.4	D162 Y163 R168 E169 G170 A171 W174 M564 P565 S566 V568 M578 I579	D162-W166 VanDerWaalsContact O-CD1 3.26Å; D162-W166 PolarHBondContact O-N 2.87Å; D162-W166 VanDerWaalsContact O-N 3.15Å; Y163-W166 HydrophobicContact CD1-CD2 4.16Å; Y163-W166 AromaticContact CD1-CE3 3.66Å; Y163-W166 HydrophobicContact CD1-CE3 3.66Å; Y163-W166 HydrophobicContact CD1-CH2 4.21Å; Y163-W166 AromaticContact CD1-CZ3 3.68Å; Y163-W166 HydrophobicContact CD1-CZ3 3.68Å; Y163-W166 HydrophobicContact CE1-CE3 4.19Å; Y163-W166 AromaticContact CE1-CH2 3.89Å; Y163-W166 HydrophobicContact CE1-CH2 3.89Å; Y163-W166 HydrophobicContact CE1-CZ2 4.46Å; Y163-W166 AromaticContact CE1-CZ3 3.75Å; Y163-W166 HydrophobicContact CE1-CZ3 3.75Å; Y163-W166 WeakPolarHBondContact O-CB 3.31Å; Y163-W166 PolarHBondContact O-N 2.88Å; W166-R168 VanDerWaalsContact C-N 3.35Å; W166-R168 PolarHBondContact O-N 2.66Å; W166-E169 CarbonylContact O-C 3.6Å; W166-E169 WeakPolarHBondContact O-CA 3.26Å; W166-E169 WeakPolarHBondContact O-CB 3.5Å; W166-E169 PolarHBondContact O-N 3.34Å; W166-E169 VanDerWaalsContact O-N 3.11Å; W166-G170 PolarHBondContact O-N 2.92Å; W166-A171 HydrophobicContact CB-CB 4.18Å; W166-A171 WeakPolarHBondContact O-CB 3.43Å; W166-A171 PolarHBondContact O-N 2.7Å; W166-W174 HydrophobicContact CE3-CB 4.33Å; W166-W174 HydrophobicContact CZ3-CE3 4.41Å; W166-M564 HydrophobicContact CH2-CB 4.27Å; W166-M564 HydrophobicContact CH2-CG 3.73Å; W166-M564 HydrophobicContact CH2-SD 4.34Å; W166-M564 HydrophobicContact CZ2-CB 3.7Å; W166-M564 HydrophobicContact CZ2-CG 3.58Å; W166-M564 HydrophobicContact CZ2-SD 4.09Å; W166-P565 HydrophobicContact CB-CG 4.12Å; W166-P565 HydrophobicContact CG-CG 4.03Å; W166-S566 PolarHBondContact NE1-O 2.97Å; W166-V568 HydrophobicContact CH2-CG1 3.98Å; W166-V568 HydrophobicContact CZ2-CG1 3.31Å; W166-M578 HydrophobicContact CZ3-CE 4.19Å; W166-I579 HydrophobicContact CH2-CD1 4.13Å; W166-I579 HydrophobicContact CZ3-CD1 4.47Å
167	Q	97.9	Very high	98	Very high	69 Å²	69	35.1 Å²	35.1	32%	0.322	17%	0.171	S	C	.	.	H	α-helix	trans	-60.6	-43.3	175.4	-179.5	148.2	-73.5	0	0	112.2	Y163 N164 R165 E169 G170 D175	Y163-Q167 PolarHBondContact O-N 2.84Å; Y163-Q167 VanDerWaalsContact O-N 3.12Å; N164-Q167 PolarHBondContact O-N 3.23Å; R165-Q167 VanDerWaalsContact C-N 3.25Å; R165-Q167 PolarHBondContact O-N 3.48Å; Q167-E169 PolarHBondContact O-N 3.48Å; Q167-G170 PolarHBondContact O-N 3.01Å; Q167-G170 VanDerWaalsContact O-N 3.08Å; Q167-D175 HydrophobicContact CB-CB 3.96Å; Q167-D175 HydrophobicContact CG-CB 4.47Å; Q167-D175 PolarHBondContact NE2-OD2 2.95Å; Q167-D175 PolarHBondContact OE1-OD2 3.38Å
168	R	97.8	Very high	98	Very high	162 Å²	162	37.4 Å²	37.4	61%	0.611	18%	0.182	S	C	*	.	H	α-helix	trans	-65.6	-27.6	174.9	-66.3	-173.8	-60.3	-96.2	5	113.2	E161 N164 R165 W166 G170	E161-R168 IonicContact OE1-CZ 3.88Å; E161-R168 IonicContact OE1-NH1 3.52Å; E161-R168 PolarHBondContact OE1-NH1 2.72Å; E161-R168 IonicContact OE1-NH2 3.56Å; E161-R168 PolarHBondContact OE1-NH2 3.27Å; N164-R168 PolarHBondContact O-N 2.91Å; N164-R168 PolarHBondContact O-NH1 3.03Å; R165-R168 CarbonylContact O-C 3.53Å; R165-R168 WeakPolarHBondContact O-CA 3.36Å; R165-R168 WeakPolarHBondContact O-CB 3.28Å; R165-R168 PolarHBondContact O-N 3.14Å; W166-R168 VanDerWaalsContact C-N 3.35Å; W166-R168 PolarHBondContact O-N 2.66Å; R168-G170 PolarHBondContact O-N 3.24Å
169	E	97.8	Very high	98.1	Very high	56 Å²	56	37 Å²	37	26%	0.262	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	2.1	174.7	-68.6	167.9	156.8	0	0	112.9	R165 W166 Q167 P565 S566	R165-E169 HydrophobicContact CG-CG 4.19Å; R165-E169 IonicContact NE-OE1 3.12Å; R165-E169 WeakPolarHBondContact O-CG 3.46Å; R165-E169 PolarHBondContact O-N 3.22Å; W166-E169 CarbonylContact O-C 3.6Å; W166-E169 WeakPolarHBondContact O-CA 3.26Å; W166-E169 WeakPolarHBondContact O-CB 3.5Å; W166-E169 PolarHBondContact O-N 3.34Å; W166-E169 VanDerWaalsContact O-N 3.11Å; Q167-E169 PolarHBondContact O-N 3.48Å; E169-P565 HydrophobicContact CB-CB 4.08Å; E169-P565 WeakPolarHBondContact OE2-CB 3.43Å; E169-S566 VanDerWaalsContact CD-OG 3.27Å; E169-S566 WeakPolarHBondContact OE1-CB 3.44Å; E169-S566 PolarHBondContact OE1-OG 3.49Å; E169-S566 PolarHBondContact OE2-OG 3Å
170	G	97.3	Very high	98.1	Very high	22 Å²	22	36.3 Å²	36.3	23%	0.227	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	5.3	174.4	0	0	0	0	0	114.9	W166 Q167 R168 E172 G535 S536	W166-G170 PolarHBondContact O-N 2.92Å; Q167-G170 PolarHBondContact O-N 3.01Å; Q167-G170 VanDerWaalsContact O-N 3.08Å; R168-G170 PolarHBondContact O-N 3.24Å; G170-E172 PolarHBondContact O-N 3.14Å; G170-E172 VanDerWaalsContact O-N 3.09Å; G170-G535 CarbonylContact O-C 3.54Å; G170-S536 PolarHBondContact O-N 3Å
171	A	98	Very high	98.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.			trans	-82.7	70.5	170	0	0	0	0	0	110.2	W166 G173 W174 M534 P565	W166-A171 HydrophobicContact CB-CB 4.18Å; W166-A171 WeakPolarHBondContact O-CB 3.43Å; W166-A171 PolarHBondContact O-N 2.7Å; A171-G173 PolarHBondContact O-N 3.47Å; A171-W174 HydrophobicContact CB-CB 4.03Å; A171-W174 HydrophobicContact CB-CG 4.23Å; A171-W174 VanDerWaalsContact O-CB 3.32Å; A171-W174 WeakPolarHBondContact O-CB 3.43Å; A171-W174 PolarHBondContact O-N 3.16Å; A171-M534 HydrophobicContact CB-CG 3.99Å; A171-M534 HydrophobicContact CB-SD 3.61Å; A171-P565 HydrophobicContact CB-CG 3.79Å
172	E	97.8	Very high	98.2	Very high	154 Å²	154	34.1 Å²	34.1	72%	0.72	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	133.7	-177.5	-174	176.3	177.2	0	0	112.4	G170 W174 P546	G170-E172 PolarHBondContact O-N 3.14Å; G170-E172 VanDerWaalsContact O-N 3.09Å; E172-W174 VanDerWaalsContact C-N 3.26Å; E172-W174 VanDerWaalsContact O-CD1 3.29Å; E172-W174 PolarHBondContact O-N 3.46Å; E172-P546 HydrophobicContact CB-CB 4.49Å; E172-P546 HydrophobicContact CB-CG 4.22Å
173	G	97.5	Very high	98.2	Very high	18 Å²	18	34.2 Å²	34.2	19%	0.186	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	9	-178.4	0	0	0	0	0	113.7	A171 H178 K582	A171-G173 PolarHBondContact O-N 3.47Å; G173-H178 WeakPolarHBondContact O-CB 3.26Å; G173-K582 PolarHBondContact O-NZ 3.01Å
174	W	98.5	Very high	98.2	Very high	1 Å²	1	37 Å²	37	0%	0.004	18%	0.175	C	C	.	.			trans	-106.4	23.8	175	-66.2	82.7	0	0	0	113.4	Y163 W166 A171 E172 M534 P546 T548 M578 I579 K582 I586	Y163-W174 WeakPolarHBondContact CB-O 3.5Å; W166-W174 HydrophobicContact CE3-CB 4.33Å; W166-W174 HydrophobicContact CZ3-CE3 4.41Å; A171-W174 HydrophobicContact CB-CB 4.03Å; A171-W174 HydrophobicContact CB-CG 4.23Å; A171-W174 VanDerWaalsContact O-CB 3.32Å; A171-W174 WeakPolarHBondContact O-CB 3.43Å; A171-W174 PolarHBondContact O-N 3.16Å; E172-W174 VanDerWaalsContact C-N 3.26Å; E172-W174 VanDerWaalsContact O-CD1 3.29Å; E172-W174 PolarHBondContact O-N 3.46Å; W174-M534 VanDerWaalsContact CD1-SD 3.51Å; W174-M534 HydrophobicContact CD2-CE 4.19Å; W174-M534 HydrophobicContact CD2-SD 4.06Å; W174-M534 HydrophobicContact CG-SD 3.98Å; W174-M534 HydrophobicContact CH2-CE 4.36Å; W174-M534 HydrophobicContact CZ2-CE 3.78Å; W174-M534 HydrophobicContact CZ2-SD 4.34Å; W174-M534 PolarHBondContact NE1-SD 2.87Å; W174-P546 PolarHBondContact NE1-O 3.48Å; W174-T548 HydrophobicContact CZ2-CG2 4.04Å; W174-M578 HydrophobicContact CE3-SD 4.5Å; W174-M578 HydrophobicContact CZ3-CE 4.39Å; W174-M578 HydrophobicContact CZ3-SD 4.08Å; W174-I579 HydrophobicContact CH2-CB 4.36Å; W174-I579 HydrophobicContact CH2-CG1 4.25Å; W174-I579 HydrophobicContact CH2-CG2 4.22Å; W174-I579 HydrophobicContact CZ3-CB 4.22Å; W174-I579 HydrophobicContact CZ3-CG1 3.72Å; W174-K582 HydrophobicContact CD2-CD 4.22Å; W174-K582 HydrophobicContact CE3-CD 3.99Å; W174-K582 HydrophobicContact CH2-CB 4.08Å; W174-K582 HydrophobicContact CH2-CD 3.8Å; W174-K582 HydrophobicContact CH2-CG 4.1Å; W174-K582 HydrophobicContact CZ2-CD 4.01Å; W174-K582 HydrophobicContact CZ2-CG 4.37Å; W174-K582 HydrophobicContact CZ3-CB 4.33Å; W174-K582 HydrophobicContact CZ3-CD 3.77Å; W174-K582 HydrophobicContact CZ3-CG 4.46Å; W174-I586 HydrophobicContact CZ2-CD1 4.27Å
175	D	98.4	Very high	98.2	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.102	17%	0.174	C	C	.	.	S	Bend	trans	-68.9	174.6	167.5	66.6	23.5	0	0	0	112.7	Y163 Q167 D177 H178 C179	Y163-D175 WeakPolarHBondContact O-CA 3.39Å; Q167-D175 HydrophobicContact CB-CB 3.96Å; Q167-D175 HydrophobicContact CG-CB 4.47Å; Q167-D175 PolarHBondContact NE2-OD2 2.95Å; Q167-D175 PolarHBondContact OE1-OD2 3.38Å; D175-D177 VanDerWaalsContact C-N 3.3Å; D175-D177 PolarHBondContact O-N 3Å; D175-D177 PolarHBondContact OD1-N 3.08Å; D175-H178 PolarHBondContact O-N 2.96Å; D175-H178 IonicContact OD1-CE1 3.75Å; D175-H178 IonicContact OD1-CG 3.89Å; D175-H178 PolarHBondContact OD1-N 2.86Å; D175-H178 VanDerWaalsContact OD1-N 3.07Å; D175-H178 IonicContact OD1-ND1 2.68Å; D175-H178 PolarHBondContact OD1-ND1 3.37Å; D175-H178 IonicContact OD2-CE1 3.99Å; D175-H178 IonicContact OD2-ND1 3.53Å; D175-C179 WeakPolarHBondContact O-CB 3.3Å; D175-C179 PolarHBondContact O-N 2.81Å; D175-C179 PolarHBondContact O-SG 3.07Å
176	Y	98.3	Very high	98.3	Very high	13 Å²	13	34.8 Å²	34.8	5%	0.051	17%	0.166	C	C	.	.	H	α-helix	trans	-62.7	-37	-174.8	-172.3	-124.8	0	0	0	113.3	Y163 N164 H178 C179 L180 V598 V600	Y163-Y176 AromaticContact CD2-CD2 3.69Å; Y163-Y176 HydrophobicContact CD2-CD2 3.69Å; Y163-Y176 HydrophobicContact CD2-CE2 4.4Å; Y163-Y176 HydrophobicContact CE2-CD2 4.24Å; N164-Y176 PolarHBondContact OD1-N 2.98Å; Y176-H178 PolarHBondContact O-N 2.9Å; Y176-C179 PolarHBondContact O-N 3.4Å; Y176-C179 VanDerWaalsContact O-N 3.11Å; Y176-L180 HydrophobicContact CD2-CB 4.47Å; Y176-L180 HydrophobicContact CE1-CD2 4.13Å; Y176-L180 HydrophobicContact CE2-CB 4.17Å; Y176-L180 HydrophobicContact CE2-CD1 4.32Å; Y176-L180 WeakPolarHBondContact O-CB 3.11Å; Y176-L180 PolarHBondContact O-N 2.91Å; Y176-V598 HydrophobicContact CE1-CB 4.29Å; Y176-V598 HydrophobicContact CE1-CG1 3.93Å; Y176-V600 HydrophobicContact CD1-CG2 3.85Å; Y176-V600 HydrophobicContact CE1-CG2 3.74Å
177	D	97.9	Very high	98.3	Very high	40 Å²	40	34.7 Å²	34.7	21%	0.214	17%	0.165	C	C	.	.	H	α-helix	trans	-62.4	-32.8	179.9	-72	-10.3	0	0	0	111.2	D175 P181 S594 D595 P596 G597	D175-D177 VanDerWaalsContact C-N 3.3Å; D175-D177 PolarHBondContact O-N 3Å; D175-D177 PolarHBondContact OD1-N 3.08Å; D177-P181 WeakPolarHBondContact O-CD 3.42Å; D177-P181 WeakPolarHBondContact O-CG 3.47Å; D177-S594 CarbonylContact O-C 3.57Å; D177-S594 WeakPolarHBondContact O-CA 3.35Å; D177-D595 PolarHBondContact O-N 3.37Å; D177-P596 VanDerWaalsContact OD2-CA 3.3Å; D177-P596 WeakPolarHBondContact OD2-CA 3.36Å; D177-G597 PolarHBondContact OD1-N 3.42Å; D177-G597 PolarHBondContact OD2-N 3.2Å; D177-G597 VanDerWaalsContact OD2-N 3.16Å
178	H	98.4	Very high	98.3	Very high	52 Å²	52	32.5 Å²	32.5	24%	0.241	16%	0.157	C	C	.	.	H	α-helix	trans	-90.5	-14.6	175.8	-64.8	90.2	0	0	0	114.2	G173 D175 Y176 Y182	G173-H178 WeakPolarHBondContact O-CB 3.26Å; D175-H178 PolarHBondContact O-N 2.96Å; D175-H178 IonicContact OD1-CE1 3.75Å; D175-H178 IonicContact OD1-CG 3.89Å; D175-H178 PolarHBondContact OD1-N 2.86Å; D175-H178 VanDerWaalsContact OD1-N 3.07Å; D175-H178 IonicContact OD1-ND1 2.68Å; D175-H178 PolarHBondContact OD1-ND1 3.37Å; D175-H178 IonicContact OD2-CE1 3.99Å; D175-H178 IonicContact OD2-ND1 3.53Å; Y176-H178 PolarHBondContact O-N 2.9Å; H178-Y182 VanDerWaalsContact O-CD2 3.24Å; H178-Y182 WeakPolarHBondContact O-CD2 3.46Å
179	C	98.6	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-93.4	-39.8	178	-76	0	0	0	0	113.2	Y163 D175 Y176 Y182 F183 M578	Y163-C179 HydrophobicContact CD1-CB 4.13Å; Y163-C179 HydrophobicContact CG-CB 4.21Å; D175-C179 WeakPolarHBondContact O-CB 3.3Å; D175-C179 PolarHBondContact O-N 2.81Å; D175-C179 PolarHBondContact O-SG 3.07Å; Y176-C179 PolarHBondContact O-N 3.4Å; Y176-C179 VanDerWaalsContact O-N 3.11Å; C179-Y182 PolarHBondContact O-N 2.65Å; C179-Y182 VanDerWaalsContact O-N 3.11Å; C179-F183 HydrophobicContact CB-CE2 4.23Å; C179-F183 WeakPolarHBondContact O-CD2 3.32Å; C179-F183 PolarHBondContact O-N 2.84Å; C179-M578 HydrophobicContact CB-CE 3.93Å; C179-M578 HydrophobicContact CB-SD 3.95Å; C179-M578 WeakPolarHBondContact SG-CE 3.2Å; C179-M578 VanDerWaalsContact SG-SD 3.69Å
180	L	98.7	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57	-42.8	-176.2	-178.3	63.3	0	0	0	114.2	Y176 Y182 F183 R184 Y196 V598	Y176-L180 HydrophobicContact CD2-CB 4.47Å; Y176-L180 HydrophobicContact CE1-CD2 4.13Å; Y176-L180 HydrophobicContact CE2-CB 4.17Å; Y176-L180 HydrophobicContact CE2-CD1 4.32Å; Y176-L180 WeakPolarHBondContact O-CB 3.11Å; Y176-L180 PolarHBondContact O-N 2.91Å; L180-Y182 PolarHBondContact O-N 3.41Å; L180-F183 WeakPolarHBondContact O-CB 3.32Å; L180-F183 PolarHBondContact O-N 2.85Å; L180-F183 VanDerWaalsContact O-N 3.15Å; L180-R184 PolarHBondContact O-N 2.96Å; L180-Y196 HydrophobicContact CD2-CD1 4.15Å; L180-V598 HydrophobicContact CD2-CB 4.1Å; L180-V598 HydrophobicContact CD2-CG1 3.62Å; L180-V598 HydrophobicContact CD2-CG2 3.76Å
181	P	98.7	Very high	98.2	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.065	15%	0.147	C	C	.	.	H	α-helix	trans	-58.5	-34.4	177.4	-26	36	0	0	0	113.3	D177 R184 K185 L593 D595	D177-P181 WeakPolarHBondContact O-CD 3.42Å; D177-P181 WeakPolarHBondContact O-CG 3.47Å; P181-R184 PolarHBondContact O-N 3.18Å; P181-K185 WeakPolarHBondContact O-CB 3.3Å; P181-K185 PolarHBondContact O-N 3.24Å; P181-L593 HydrophobicContact CB-CB 3.55Å; P181-L593 HydrophobicContact CB-CD1 4.08Å; P181-L593 HydrophobicContact CB-CG 4.47Å; P181-L593 HydrophobicContact CG-CB 4.21Å; P181-D595 HydrophobicContact CG-CB 3.86Å
182	Y	98.8	Very high	98.2	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-75.8	-33.6	177.8	-71.5	-76.2	0	0	0	112.7	H178 C179 L180 R184 K185 A186 E581 K582 D585 L593	H178-Y182 VanDerWaalsContact O-CD2 3.24Å; H178-Y182 WeakPolarHBondContact O-CD2 3.46Å; C179-Y182 PolarHBondContact O-N 2.65Å; C179-Y182 VanDerWaalsContact O-N 3.11Å; L180-Y182 PolarHBondContact O-N 3.41Å; Y182-R184 VanDerWaalsContact C-N 3.31Å; Y182-R184 PolarHBondContact O-N 2.68Å; Y182-K185 HydrophobicContact CD1-CD 3.98Å; Y182-K185 HydrophobicContact CE1-CD 4.31Å; Y182-K185 PolarHBondContact O-N 3.46Å; Y182-A186 WeakPolarHBondContact O-CB 3.44Å; Y182-A186 PolarHBondContact O-N 2.8Å; Y182-E581 HydrophobicContact CD1-CB 3.88Å; Y182-K582 HydrophobicContact CD1-CB 3.97Å; Y182-K582 HydrophobicContact CD2-CB 3.79Å; Y182-K582 HydrophobicContact CD2-CD 4.01Å; Y182-K582 HydrophobicContact CD2-CG 3.99Å; Y182-K582 VanDerWaalsContact CE1-CA 3.45Å; Y182-K582 HydrophobicContact CE1-CB 3.95Å; Y182-K582 HydrophobicContact CE1-CG 4.35Å; Y182-K582 HydrophobicContact CE2-CB 3.8Å; Y182-K582 HydrophobicContact CE2-CD 3.81Å; Y182-K582 HydrophobicContact CE2-CG 3.56Å; Y182-K582 HydrophobicContact CG-CB 3.87Å; Y182-D585 HydrophobicContact CE1-CB 4.38Å; Y182-D585 VanDerWaalsContact CE1-OD2 3.23Å; Y182-D585 WeakPolarHBondContact CE1-OD2 3.24Å; Y182-D585 PolarHBondContact OH-OD2 2.85Å; Y182-L593 HydrophobicContact CD1-CD1 4.11Å; Y182-L593 HydrophobicContact CD2-CB 4.3Å; Y182-L593 HydrophobicContact CE1-CD1 3.85Å; Y182-L593 HydrophobicContact CE1-CG 4.06Å; Y182-L593 HydrophobicContact CE2-CB 3.71Å; Y182-L593 HydrophobicContact CE2-CD1 4.38Å; Y182-L593 HydrophobicContact CE2-CG 4.1Å; Y182-L593 PolarHBondContact OH-N 2.95Å; Y182-L593 VanDerWaalsContact OH-N 3.1Å
183	F	98.8	Very high	98.1	Very high	1 Å²	1	26 Å²	26	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-59.3	-42.8	167.3	-76.4	-63.4	0	0	0	112	R157 Y163 C179 L180 A186 Q187 A574 M578	R157-F183 HydrophobicContact CB-CD1 4.23Å; R157-F183 HydrophobicContact CB-CE1 3.94Å; R157-F183 HydrophobicContact CB-CE2 4.3Å; R157-F183 HydrophobicContact CB-CZ 4Å; R157-F183 HydrophobicContact CG-CD1 3.66Å; R157-F183 HydrophobicContact CG-CE1 3.8Å; R157-F183 HydrophobicContact CG-CG 4.06Å; R157-F183 HydrophobicContact CG-CZ 4.33Å; Y163-F183 HydrophobicContact CE1-CE2 4.29Å; Y163-F183 HydrophobicContact CE1-CZ 4.39Å; Y163-F183 HydrophobicContact CE2-CE2 4.06Å; Y163-F183 AromaticContact CZ-CE2 3.68Å; Y163-F183 AromaticContact CZ-CZ 3.81Å; Y163-F183 WeakPolarHBondContact OH-CE2 3.38Å; Y163-F183 WeakPolarHBondContact OH-CZ 3.46Å; C179-F183 HydrophobicContact CB-CE2 4.23Å; C179-F183 WeakPolarHBondContact O-CD2 3.32Å; C179-F183 PolarHBondContact O-N 2.84Å; L180-F183 WeakPolarHBondContact O-CB 3.32Å; L180-F183 PolarHBondContact O-N 2.85Å; L180-F183 VanDerWaalsContact O-N 3.15Å; F183-A186 PolarHBondContact O-N 3.01Å; F183-Q187 VanDerWaalsContact O-CB 3.32Å; F183-Q187 WeakPolarHBondContact O-CB 3.38Å; F183-Q187 PolarHBondContact O-N 3.18Å; F183-A574 HydrophobicContact CE1-CB 4.07Å; F183-A574 WeakPolarHBondContact CE1-O 3.19Å; F183-M578 HydrophobicContact CD1-CB 3.74Å; F183-M578 HydrophobicContact CD1-CG 4.07Å; F183-M578 HydrophobicContact CD2-CB 4.4Å; F183-M578 HydrophobicContact CD2-CG 3.85Å; F183-M578 HydrophobicContact CE1-CB 3.45Å; F183-M578 VanDerWaalsContact CE1-CB 3.45Å; F183-M578 HydrophobicContact CE1-CG 3.96Å; F183-M578 HydrophobicContact CE2-CB 4.15Å; F183-M578 HydrophobicContact CE2-CE 4.05Å; F183-M578 HydrophobicContact CE2-CG 3.72Å; F183-M578 HydrophobicContact CG-CB 4.19Å; F183-M578 HydrophobicContact CG-CG 4.01Å; F183-M578 HydrophobicContact CZ-CB 3.64Å; F183-M578 HydrophobicContact CZ-CE 3.98Å; F183-M578 HydrophobicContact CZ-CG 3.75Å
184	R	98.6	Very high	98	Very high	59 Å²	59	28.2 Å²	28.2	22%	0.223	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-43.6	174.8	-67.9	-173.8	-61.2	-161	0.7	112.3	L180 P181 Y182 A186 Q187 R195 Y196 G198 D595	L180-R184 PolarHBondContact O-N 2.96Å; P181-R184 PolarHBondContact O-N 3.18Å; Y182-R184 VanDerWaalsContact C-N 3.31Å; Y182-R184 PolarHBondContact O-N 2.68Å; R184-A186 VanDerWaalsContact C-N 3.26Å; R184-A186 PolarHBondContact O-N 3.21Å; R184-Q187 PolarHBondContact O-N 3.07Å; R184-R195 WeakPolarHBondContact CD-O 3.36Å; R184-R195 PolarHBondContact NH1-O 2.7Å; R184-Y196 VanDerWaalsContact CG-O 3.26Å; R184-Y196 WeakPolarHBondContact CG-O 3.48Å; R184-G198 VanDerWaalsContact O-CA 3.3Å; R184-G198 WeakPolarHBondContact O-CA 3.41Å; R184-D595 IonicContact CZ-OD2 2.65Å; R184-D595 IonicContact NH1-OD2 2.75Å; R184-D595 PolarHBondContact NH1-OD2 2.83Å; R184-D595 IonicContact NH2-OD2 3.76Å; R184-D595 PolarHBondContact NH2-OD2 3.08Å
185	K	98.6	Very high	97.9	Very high	49 Å²	49	33.5 Å²	33.5	21%	0.213	18%	0.18	C	C	.	.	H	α-helix	trans	-57.1	-40.3	177.1	-175.4	-174.6	179.9	-171.7	0	111.8	P181 Y182 G201 E581 D585 L593	P181-K185 WeakPolarHBondContact O-CB 3.3Å; P181-K185 PolarHBondContact O-N 3.24Å; Y182-K185 HydrophobicContact CD1-CD 3.98Å; Y182-K185 HydrophobicContact CE1-CD 4.31Å; Y182-K185 PolarHBondContact O-N 3.46Å; K185-G201 WeakPolarHBondContact O-CA 3.37Å; K185-E581 VanDerWaalsContact CE-OE2 3.29Å; K185-E581 WeakPolarHBondContact CE-OE2 3.43Å; K185-E581 IonicContact NZ-OE2 2.73Å; K185-E581 PolarHBondContact NZ-OE2 3.45Å; K185-D585 VanDerWaalsContact NZ-CG 3.27Å; K185-D585 IonicContact NZ-OD1 3.27Å; K185-D585 PolarHBondContact NZ-OD1 3.49Å; K185-D585 VanDerWaalsContact NZ-OD1 3.16Å; K185-D585 IonicContact NZ-OD2 3.73Å; K185-D585 PolarHBondContact NZ-OD2 3.12Å; K185-L593 HydrophobicContact CD-CD1 4.2Å
186	A	98.8	Very high	97.9	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-73.1	-35.1	-179.5	0	0	0	0	0	113.4	Y182 F183 R184 G201 P202 L203 Y260 I577 E581	Y182-A186 WeakPolarHBondContact O-CB 3.44Å; Y182-A186 PolarHBondContact O-N 2.8Å; F183-A186 PolarHBondContact O-N 3.01Å; R184-A186 VanDerWaalsContact C-N 3.26Å; R184-A186 PolarHBondContact O-N 3.21Å; A186-G201 CarbonylContact O-C 3.47Å; A186-G201 WeakPolarHBondContact O-CA 3.2Å; A186-P202 WeakPolarHBondContact O-CD 3.47Å; A186-L203 WeakPolarHBondContact O-CB 3.23Å; A186-L203 PolarHBondContact O-N 3.05Å; A186-Y260 WeakPolarHBondContact CA-OH 3.45Å; A186-Y260 WeakPolarHBondContact CB-OH 3.27Å; A186-I577 HydrophobicContact CB-CG2 3.86Å; A186-E581 HydrophobicContact CB-CG 4.18Å
187	Q	98.6	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.7	-164.8	-172.8	-173.7	46.6	0	0	113.4	F183 R184 H189 G198 G199 S200 G201 V205	F183-Q187 VanDerWaalsContact O-CB 3.32Å; F183-Q187 WeakPolarHBondContact O-CB 3.38Å; F183-Q187 PolarHBondContact O-N 3.18Å; R184-Q187 PolarHBondContact O-N 3.07Å; Q187-H189 HydrophobicContact CG-CB 4.23Å; Q187-G198 CarbonylContact O-C 3.44Å; Q187-G198 WeakPolarHBondContact O-CA 3.45Å; Q187-G199 PolarHBondContact O-N 3.12Å; Q187-S200 PolarHBondContact O-N 3.39Å; Q187-G201 WeakPolarHBondContact O-CA 3.38Å; Q187-G201 PolarHBondContact O-N 3.33Å; Q187-V205 HydrophobicContact CG-CB 4.13Å; Q187-V205 HydrophobicContact CG-CG2 3.83Å
188	C	98.6	Very high	97.8	Very high	23 Å²	23	33 Å²	33	16%	0.155	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	97.8	157.1	173.4	0	0	0	0	108.7	G199 G201 L203 H204 V205	C188-G199 PolarHBondContact SG-O 2.79Å; C188-G201 WeakPolarHBondContact CB-O 3.38Å; C188-L203 PolarHBondContact N-O 3.02Å; C188-H204 WeakPolarHBondContact O-CA 3.49Å; C188-V205 PolarHBondContact O-N 2.73Å
189	H	98.2	Very high	97.7	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.7	178.8	-160.7	-53.2	0	0	0	110.6	Q187 L191 G192 R197 G198 V205 D245	Q187-H189 HydrophobicContact CG-CB 4.23Å; H189-L191 PolarHBondContact ND1-N 3.14Å; H189-L191 VanDerWaalsContact ND1-N 3.14Å; H189-L191 PolarHBondContact O-N 3.19Å; H189-L191 VanDerWaalsContact O-N 3.09Å; H189-G192 PolarHBondContact O-N 2.86Å; H189-R197 HydrophobicContact CB-CB 4.46Å; H189-R197 VanDerWaalsContact CD2-CD 3.45Å; H189-R197 WeakPolarHBondContact CD2-CD 3.43Å; H189-G198 WeakPolarHBondContact CB-O 3.46Å; H189-G198 PolarHBondContact N-O 2.91Å; H189-V205 WeakPolarHBondContact CA-O 3.35Å; H189-D245 IonicContact CD2-OD2 3.46Å; H189-D245 IonicContact CE1-OD1 3.52Å; H189-D245 VanDerWaalsContact NE2-CG 3.29Å; H189-D245 IonicContact NE2-OD1 3.52Å; H189-D245 PolarHBondContact NE2-OD1 2.86Å; H189-D245 IonicContact NE2-OD2 3.42Å; H189-D245 PolarHBondContact NE2-OD2 3.25Å
190	E	96.6	Very high	97.6	Very high	77 Å²	77	37.8 Å²	37.8	36%	0.36	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.6	178.6	69.9	177.2	-169.3	0	0	115.6	G192 V205 S206 R207 K209	E190-G192 VanDerWaalsContact C-N 3.28Å; E190-V205 PolarHBondContact N-O 2.87Å; E190-S206 VanDerWaalsContact CD-CA 3.42Å; E190-S206 VanDerWaalsContact CD-CB 3.49Å; E190-S206 WeakPolarHBondContact OE2-CB 3.23Å; E190-R207 WeakPolarHBondContact OE1-CB 3.4Å; E190-R207 PolarHBondContact OE1-N 3.1Å; E190-K209 WeakPolarHBondContact OE1-CE 3.43Å; E190-K209 IonicContact OE1-NZ 3.78Å; E190-K209 PolarHBondContact OE1-NZ 3.32Å; E190-K209 WeakPolarHBondContact OE2-CE 3.41Å; E190-K209 IonicContact OE2-NZ 2.98Å; E190-K209 PolarHBondContact OE2-NZ 3.44Å
191	L	95.6	Very high	97.6	Very high	95 Å²	95	38.1 Å²	38.1	50%	0.497	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.3	177.3	-62.4	179.4	0	0	0	111.4	H189	H189-L191 PolarHBondContact ND1-N 3.14Å; H189-L191 VanDerWaalsContact ND1-N 3.14Å; H189-L191 PolarHBondContact O-N 3.19Å; H189-L191 VanDerWaalsContact O-N 3.09Å
192	G	97.1	Very high	97.6	Very high	32 Å²	32	39.4 Å²	39.4	33%	0.33	23%	0.232	S	C	.	.			trans	83.9	170.4	-172.4	0	0	0	0	0	113.3	H189 E190	H189-G192 PolarHBondContact O-N 2.86Å; E190-G192 VanDerWaalsContact C-N 3.28Å
193	G	96.6	Very high	97.6	Very high	49 Å²	49	39.4 Å²	39.4	51%	0.505	23%	0.232	S	C	.	.			trans	-80.3	151.6	174.4	0	0	0	0	0	112.3	R197	G193-R197 VanDerWaalsContact CA-O 3.24Å; G193-R197 WeakPolarHBondContact CA-O 2.96Å
194	D	96.3	Very high	97.6	Very high	65 Å²	65	41.8 Å²	41.8	35%	0.348	24%	0.243	S	C	.	.			trans	-144.3	-160.6	167.6	70	13.8	0	0	0	109.5	Y196 R197	D194-Y196 PolarHBondContact O-N 2.92Å; D194-Y196 WeakPolarHBondContact OD1-CA 3.5Å; D194-Y196 PolarHBondContact OD1-N 3.11Å; D194-R197 PolarHBondContact N-O 3.5Å; D194-R197 VanDerWaalsContact O-O 3.12Å; D194-R197 PolarHBondContact OD1-N 3.26Å; D194-R197 IonicContact OD2-CZ 2.71Å; D194-R197 IonicContact OD2-NE 3.21Å; D194-R197 IonicContact OD2-NH1 2.84Å; D194-R197 PolarHBondContact OD2-NH1 2.66Å; D194-R197 IonicContact OD2-NH2 2.72Å; D194-R197 PolarHBondContact OD2-NH2 3.37Å
195	R	95.7	Very high	97.6	Very high	111 Å²	111	39.1 Å²	39.1	42%	0.419	23%	0.233	S	C	.	.	S	Bend	trans	-59.6	-29.3	178.5	-169.7	171.1	-173.9	-173.2	-3.2	112.7	R184 G597 P599	R184-R195 WeakPolarHBondContact CD-O 3.36Å; R184-R195 PolarHBondContact NH1-O 2.7Å; R195-G597 PolarHBondContact NH2-O 3.33Å; R195-P599 VanDerWaalsContact NH1-CD 3.27Å
196	Y	97.7	Very high	97.5	Very high	21 Å²	21	37.4 Å²	37.4	8%	0.082	23%	0.228	C	C	.	.	S	Bend	trans	-106	-37.6	-178.6	-57.4	-92.8	0	0	0	112.6	R157 L180 R184 D194 F236 V598 P599	R157-Y196 VanDerWaalsContact CZ-O 3.25Å; R157-Y196 PolarHBondContact NH1-O 3.12Å; R157-Y196 PolarHBondContact NH2-O 3.49Å; L180-Y196 HydrophobicContact CD2-CD1 4.15Å; R184-Y196 VanDerWaalsContact CG-O 3.26Å; R184-Y196 WeakPolarHBondContact CG-O 3.48Å; D194-Y196 PolarHBondContact O-N 2.92Å; D194-Y196 WeakPolarHBondContact OD1-CA 3.5Å; D194-Y196 PolarHBondContact OD1-N 3.11Å; Y196-F236 HydrophobicContact CE1-CB 4.46Å; Y196-F236 HydrophobicContact CE2-CB 3.92Å; Y196-V598 HydrophobicContact CD1-CG1 4.08Å; Y196-V598 HydrophobicContact CE1-CG1 3.35Å; Y196-P599 WeakPolarHBondContact CE1-O 3.4Å; Y196-P599 WeakPolarHBondContact OH-CG 3.42Å; Y196-P599 PolarHBondContact OH-O 2.89Å
197	R	96.3	Very high	97.3	Very high	36 Å²	36	38.5 Å²	38.5	14%	0.136	23%	0.231	C	C	.	.	S	Bend	trans	-90.2	140.2	-174.9	-65.5	-169.6	-65.3	-87	-5.5	112.2	H189 G193 D194 D232	H189-R197 HydrophobicContact CB-CB 4.46Å; H189-R197 VanDerWaalsContact CD2-CD 3.45Å; H189-R197 WeakPolarHBondContact CD2-CD 3.43Å; G193-R197 VanDerWaalsContact CA-O 3.24Å; G193-R197 WeakPolarHBondContact CA-O 2.96Å; D194-R197 PolarHBondContact N-O 3.5Å; D194-R197 VanDerWaalsContact O-O 3.12Å; D194-R197 PolarHBondContact OD1-N 3.26Å; D194-R197 IonicContact OD2-CZ 2.71Å; D194-R197 IonicContact OD2-NE 3.21Å; D194-R197 IonicContact OD2-NH1 2.84Å; D194-R197 PolarHBondContact OD2-NH1 2.66Å; D194-R197 IonicContact OD2-NH2 2.72Å; D194-R197 PolarHBondContact OD2-NH2 3.37Å; R197-D232 WeakPolarHBondContact CD-OD2 3.39Å; R197-D232 IonicContact CZ-OD2 3.98Å; R197-D232 IonicContact NH1-OD2 3.55Å; R197-D232 PolarHBondContact NH1-OD2 3.28Å
198	G	97.7	Very high	96.6	Very high	4 Å²	4	39 Å²	39	4%	0.041	24%	0.236	C	C	.	.			trans	-83.1	146.8	168.8	0	0	0	0	0	111.6	R184 Q187 H189	R184-G198 VanDerWaalsContact O-CA 3.3Å; R184-G198 WeakPolarHBondContact O-CA 3.41Å; Q187-G198 CarbonylContact O-C 3.44Å; Q187-G198 WeakPolarHBondContact O-CA 3.45Å; H189-G198 WeakPolarHBondContact CB-O 3.46Å; H189-G198 PolarHBondContact N-O 2.91Å
199	G	97.3	Very high	95.8	Very high	38 Å²	38	44 Å²	44	39%	0.392	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-117.1	-5.4	-178.8	0	0	0	0	0	115.4	Q187 C188	Q187-G199 PolarHBondContact O-N 3.12Å; C188-G199 PolarHBondContact SG-O 2.79Å
200	S	97.4	Very high	94.8	Very high	116 Å²	116	46.3 Å²	46.3	81%	0.811	27%	0.27	S	S	*	.	S	Bend	trans	-145.5	2.3	-167.8	63.6	0	0	0	0	114.7	Q187	Q187-S200 PolarHBondContact O-N 3.39Å
201	G	98.3	Very high	94.3	Very high	7 Å²	7	49.5 Å²	49.5	7%	0.072	29%	0.289	C	S	.	.	S	Bend	trans	-69.1	164.2	176.4	0	0	0	0	0	112.9	K185 A186 Q187 C188 L203	K185-G201 WeakPolarHBondContact O-CA 3.37Å; A186-G201 CarbonylContact O-C 3.47Å; A186-G201 WeakPolarHBondContact O-CA 3.2Å; Q187-G201 WeakPolarHBondContact O-CA 3.38Å; Q187-G201 PolarHBondContact O-N 3.33Å; C188-G201 WeakPolarHBondContact CB-O 3.38Å; G201-L203 VanDerWaalsContact C-N 3.3Å; G201-L203 PolarHBondContact O-N 3.21Å
202	P	98.4	Very high	94.2	Very high	37 Å²	37	45.9 Å²	45.9	24%	0.24	27%	0.27	C	S	.	.	S	Bend	trans	-72.8	-20.2	-176.3	29.4	-36.7	0	0	0	114	A186 H204 W254 A259 Y260	A186-P202 WeakPolarHBondContact O-CD 3.47Å; P202-H204 PolarHBondContact O-N 2.8Å; P202-W254 PolarHBondContact O-NE1 3.06Å; P202-W254 VanDerWaalsContact O-NE1 3.17Å; P202-A259 HydrophobicContact CB-CB 4.41Å; P202-A259 WeakPolarHBondContact CB-O 3.44Å; P202-A259 VanDerWaalsContact O-CB 3.25Å; P202-A259 WeakPolarHBondContact O-CB 3.37Å; P202-Y260 HydrophobicContact CB-CE1 4.35Å; P202-Y260 HydrophobicContact CG-CD1 3.8Å; P202-Y260 HydrophobicContact CG-CD2 4.38Å; P202-Y260 HydrophobicContact CG-CE1 3.21Å; P202-Y260 HydrophobicContact CG-CE2 3.86Å; P202-Y260 HydrophobicContact CG-CG 4.35Å; P202-Y260 WeakPolarHBondContact CG-OH 3.3Å
203	L	98.7	Very high	94.2	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	100.1	179.5	-170	75.8	0	0	0	110.2	Y155 A186 C188 G201 V205 T247 A259 Y260 I577	Y155-L203 HydrophobicContact CD2-CD2 4.18Å; Y155-L203 HydrophobicContact CE2-CD2 3.84Å; A186-L203 WeakPolarHBondContact O-CB 3.23Å; A186-L203 PolarHBondContact O-N 3.05Å; C188-L203 PolarHBondContact N-O 3.02Å; G201-L203 VanDerWaalsContact C-N 3.3Å; G201-L203 PolarHBondContact O-N 3.21Å; L203-V205 HydrophobicContact CD2-CG2 4.47Å; L203-V205 PolarHBondContact O-N 2.9Å; L203-T247 HydrophobicContact CD1-CG2 4.21Å; L203-T247 HydrophobicContact CD2-CG2 4.03Å; L203-T247 HydrophobicContact CG-CG2 4.19Å; L203-A259 HydrophobicContact CB-CB 4.49Å; L203-A259 HydrophobicContact CD1-CB 4.05Å; L203-Y260 HydrophobicContact CB-CE2 4.37Å; L203-I577 HydrophobicContact CD1-CD1 4.29Å; L203-I577 HydrophobicContact CD2-CD1 3.8Å
204	H	98.6	Very high	94.2	Very high	50 Å²	50	45 Å²	45	23%	0.231	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	131.2	172.9	-74.6	-75.6	0	0	0	111.8	C188 P202 Y249 W254	C188-H204 WeakPolarHBondContact O-CA 3.49Å; P202-H204 PolarHBondContact O-N 2.8Å; H204-Y249 HydrophobicContact CB-CD2 3.63Å; H204-Y249 HydrophobicContact CB-CG 3.76Å; H204-Y249 AromaticContact CD2-CD2 3.86Å; H204-Y249 AromaticContact CD2-CG 3.88Å; H204-Y249 AromaticContact CE1-CE2 3.75Å; H204-Y249 AromaticContact CG-CD2 3.43Å; H204-Y249 VanDerWaalsContact CG-CD2 3.43Å; H204-Y249 AromaticContact CG-CE2 3.85Å; H204-Y249 AromaticContact CG-CG 3.75Å; H204-Y249 AromaticContact ND1-CD2 3.63Å; H204-Y249 AromaticContact ND1-CE2 3.66Å; H204-W254 HydrophobicContact CB-CG 4.16Å; H204-W254 AromaticContact CD2-CE2 3.71Å; H204-W254 AromaticContact CD2-CZ2 3.87Å; H204-W254 AromaticContact CD2-NE1 3.51Å; H204-W254 VanDerWaalsContact N-CD1 3.26Å
205	V	98.2	Very high	94.3	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.018	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.8	178.6	177.4	0	0	0	0	109.1	Y155 Q187 C188 H189 E190 L203 D245 M246 T247	Y155-V205 HydrophobicContact CD1-CG1 3.94Å; Y155-V205 HydrophobicContact CD1-CG2 4.24Å; Y155-V205 HydrophobicContact CD2-CG2 3.73Å; Y155-V205 HydrophobicContact CE1-CG2 4.46Å; Y155-V205 HydrophobicContact CE2-CG2 3.94Å; Y155-V205 HydrophobicContact CG-CG1 3.99Å; Y155-V205 HydrophobicContact CG-CG2 3.89Å; Q187-V205 HydrophobicContact CG-CB 4.13Å; Q187-V205 HydrophobicContact CG-CG2 3.83Å; C188-V205 PolarHBondContact O-N 2.73Å; H189-V205 WeakPolarHBondContact CA-O 3.35Å; E190-V205 PolarHBondContact N-O 2.87Å; L203-V205 HydrophobicContact CD2-CG2 4.47Å; L203-V205 PolarHBondContact O-N 2.9Å; V205-D245 HydrophobicContact CG1-CB 3.61Å; V205-M246 CarbonylContact C-O 3.55Å; V205-M246 WeakPolarHBondContact CA-O 3.39Å; V205-T247 HydrophobicContact CG2-CG2 4.36Å
206	S	96.6	Very high	94.3	Very high	14 Å²	14	44.2 Å²	44.2	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.7	177.8	51.6	0	0	0	0	111.4	E190 D245 M246 I248	E190-S206 VanDerWaalsContact CD-CA 3.42Å; E190-S206 VanDerWaalsContact CD-CB 3.49Å; E190-S206 WeakPolarHBondContact OE2-CB 3.23Å; S206-D245 CarbonylContact O-C 3.52Å; S206-D245 WeakPolarHBondContact O-CA 3.15Å; S206-M246 PolarHBondContact N-O 3.04Å; S206-M246 PolarHBondContact O-N 3.33Å; S206-I248 PolarHBondContact OG-O 2.74Å
207	R	94.8	Very high	94.4	Very high	26 Å²	26	43.4 Å²	43.4	10%	0.098	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	150	173.6	-174.5	146.2	-65.9	-175.4	-2.7	110	E190 K209 N231 D232 W243 D245	E190-R207 WeakPolarHBondContact OE1-CB 3.4Å; E190-R207 PolarHBondContact OE1-N 3.1Å; R207-K209 WeakPolarHBondContact O-CG 3.19Å; R207-K209 PolarHBondContact O-N 3.27Å; R207-N231 PolarHBondContact NH1-O 3.02Å; R207-D232 IonicContact NH2-OD1 3.97Å; R207-W243 HydrophobicContact CG-CB 4.03Å; R207-D245 IonicContact CZ-OD1 2.77Å; R207-D245 IonicContact NE-OD1 2.66Å; R207-D245 PolarHBondContact NE-OD1 3.2Å; R207-D245 IonicContact NH2-OD1 2.73Å; R207-D245 PolarHBondContact NH2-OD1 3.46Å; R207-D245 IonicContact NH2-OD2 2.65Å; R207-D245 PolarHBondContact NH2-OD2 3.33Å
208	G	84.6	Confident	94.5	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	23%	0.233	C	C	.	.			trans	-54.8	132.3	173	0	0	0	0	0	114	M244 E398	G208-M244 PolarHBondContact N-O 3.5Å; G208-M244 VanDerWaalsContact N-O 3.12Å; G208-E398 VanDerWaalsContact CA-CG 3.41Å
209	K	80.6	Confident	94.5	Very high	128 Å²	128	42 Å²	42	56%	0.557	23%	0.234	S	C	*	.			trans	-133.5	9.4	-173	-47.3	-169.5	-176.8	170.8	0	116.1	E190 R207 N211	E190-K209 WeakPolarHBondContact OE1-CE 3.43Å; E190-K209 IonicContact OE1-NZ 3.78Å; E190-K209 PolarHBondContact OE1-NZ 3.32Å; E190-K209 WeakPolarHBondContact OE2-CE 3.41Å; E190-K209 IonicContact OE2-NZ 2.98Å; E190-K209 PolarHBondContact OE2-NZ 3.44Å; R207-K209 WeakPolarHBondContact O-CG 3.19Å; R207-K209 PolarHBondContact O-N 3.27Å; K209-N211 PolarHBondContact O-N 3.13Å; K209-N211 VanDerWaalsContact O-N 3.08Å
210	T	78.4	Confident	94.5	Very high	52 Å²	52	43.2 Å²	43.2	32%	0.319	23%	0.229	S	C	.	.			trans	-66.1	-14	-173.7	50.1	0	0	0	0	113.8	H212 T394 E398	T210-H212 PolarHBondContact O-N 3.41Å; T210-T394 HydrophobicContact CG2-CG2 3.74Å; T210-E398 HydrophobicContact CG2-CG 4.29Å; T210-E398 WeakPolarHBondContact CG2-OE1 3.39Å
211	N	85.3	Confident	94.6	Very high	144 Å²	144	37.7 Å²	37.7	77%	0.77	19%	0.19	S	C	*	.			trans	51.8	23.7	-174	-64	-37.6	0	0	0	112.8	K209	K209-N211 PolarHBondContact O-N 3.13Å; K209-N211 VanDerWaalsContact O-N 3.08Å
212	H	93.7	Very high	94.6	Very high	19 Å²	19	37.3 Å²	37.3	9%	0.088	19%	0.187	C	C	.	.			trans	-69.8	127.1	-178	-172.7	-64	0	0	0	109.2	T210 L214 H215 I366	T210-H212 PolarHBondContact O-N 3.41Å; H212-L214 PolarHBondContact ND1-N 3.21Å; H212-L214 PolarHBondContact O-N 3.22Å; H212-L214 VanDerWaalsContact O-N 3.14Å; H212-H215 PolarHBondContact O-N 2.91Å; H212-H215 VanDerWaalsContact O-N 3.07Å; H212-I366 PolarHBondContact NE2-O 2.8Å
213	P	96.6	Very high	94.6	Very high	63 Å²	63	40.4 Å²	40.4	41%	0.409	20%	0.198	S	C	.	.	H	α-helix	trans	-59.9	-32.9	-169.5	21.8	-34.2	0	0	0	113.3	H215 R216 A217 I366 F497	P213-H215 VanDerWaalsContact C-N 3.34Å; P213-H215 PolarHBondContact O-N 3.23Å; P213-R216 PolarHBondContact O-N 3.47Å; P213-A217 PolarHBondContact O-N 2.62Å; P213-I366 HydrophobicContact CG-CD1 4.12Å; P213-F497 HydrophobicContact CB-CZ 4.25Å
214	L	97.8	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-30.9	177.6	-66.7	-178.3	0	0	0	114.6	H212 A217 F218 I366 T367 F418 P420 Y436 F494 F497	H212-L214 PolarHBondContact ND1-N 3.21Å; H212-L214 PolarHBondContact O-N 3.22Å; H212-L214 VanDerWaalsContact O-N 3.14Å; L214-A217 PolarHBondContact O-N 3.31Å; L214-F218 WeakPolarHBondContact O-CB 3.35Å; L214-F218 PolarHBondContact O-N 2.66Å; L214-I366 HydrophobicContact CD1-CD1 4.36Å; L214-I366 HydrophobicContact CD1-CG1 4.47Å; L214-I366 HydrophobicContact CD2-CD1 4.18Å; L214-I366 HydrophobicContact CG-CD1 4Å; L214-T367 HydrophobicContact CD1-CG2 4.18Å; L214-F418 HydrophobicContact CB-CE1 3.72Å; L214-F418 HydrophobicContact CB-CZ 3.79Å; L214-F418 WeakPolarHBondContact O-CE1 3.37Å; L214-P420 HydrophobicContact CB-CB 4.34Å; L214-P420 HydrophobicContact CD1-CB 3.89Å; L214-Y436 HydrophobicContact CD1-CD1 3.87Å; L214-Y436 HydrophobicContact CD1-CG 4.24Å; L214-Y436 HydrophobicContact CD2-CD1 4.23Å; L214-Y436 HydrophobicContact CD2-CE1 4.41Å; L214-F494 HydrophobicContact CD2-CE1 4.33Å; L214-F497 HydrophobicContact CD2-CB 3.73Å; L214-F497 HydrophobicContact CD2-CD1 3.97Å; L214-F497 HydrophobicContact CD2-CD2 3.72Å; L214-F497 HydrophobicContact CD2-CE2 4.31Å; L214-F497 HydrophobicContact CD2-CG 3.52Å
215	H	97.5	Very high	94.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-42.2	174.3	-67.9	-62.7	0	0	0	111.2	H212 P213 F218 I219 W243 E398 S399 F418	H212-H215 PolarHBondContact O-N 2.91Å; H212-H215 VanDerWaalsContact O-N 3.07Å; P213-H215 VanDerWaalsContact C-N 3.34Å; P213-H215 PolarHBondContact O-N 3.23Å; H215-F218 PolarHBondContact O-N 2.54Å; H215-I219 WeakPolarHBondContact O-CG1 3.46Å; H215-I219 PolarHBondContact O-N 2.8Å; H215-I219 VanDerWaalsContact O-N 3.12Å; H215-W243 HydrophobicContact CB-CH2 3.98Å; H215-W243 HydrophobicContact CB-CZ3 3.7Å; H215-E398 IonicContact CD2-OE2 2.69Å; H215-E398 IonicContact CE1-OE2 3.71Å; H215-E398 PolarHBondContact CE1-OE2 3.29Å; H215-E398 IonicContact NE2-OE2 3.81Å; H215-E398 PolarHBondContact NE2-OE2 2.99Å; H215-S399 PolarHBondContact ND1-OG 3.46Å; H215-F418 AromaticContact CE1-CD1 3.95Å; H215-F418 AromaticContact ND1-CD1 3.52Å
216	R	96.7	Very high	94.5	Very high	160 Å²	160	44.2 Å²	44.2	60%	0.604	23%	0.227	S	C	*	.	H	α-helix	trans	-64.5	-44.5	176.2	-178	175.3	174.1	174.9	-0.9	111	P213 F218 I219 E220	P213-R216 PolarHBondContact O-N 3.47Å; R216-F218 VanDerWaalsContact C-N 3.28Å; R216-F218 PolarHBondContact O-N 3.05Å; R216-I219 PolarHBondContact O-N 3.12Å; R216-E220 HydrophobicContact CG-CG 4.33Å; R216-E220 WeakPolarHBondContact CG-OE1 3.5Å; R216-E220 IonicContact CZ-OE1 3.6Å; R216-E220 IonicContact NE-OE1 3.79Å; R216-E220 PolarHBondContact NE-OE1 2.88Å; R216-E220 IonicContact NH2-OE1 3.33Å; R216-E220 PolarHBondContact NH2-OE1 3.23Å; R216-E220 VanDerWaalsContact NH2-OE1 3.15Å; R216-E220 WeakPolarHBondContact O-CB 3.27Å; R216-E220 WeakPolarHBondContact O-CG 3.37Å; R216-E220 PolarHBondContact O-N 2.56Å
217	A	98.3	Very high	94.5	Very high	4 Å²	4	43.9 Å²	43.9	3%	0.033	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-40.9	175.5	0	0	0	0	0	111.9	P213 L214 A221 A493 F494 F497	P213-A217 PolarHBondContact O-N 2.62Å; L214-A217 PolarHBondContact O-N 3.31Å; A217-A221 WeakPolarHBondContact O-CB 3.39Å; A217-A221 PolarHBondContact O-N 3.48Å; A217-A493 WeakPolarHBondContact O-CB 3.34Å; A217-F494 HydrophobicContact CB-CD1 4.22Å; A217-F494 HydrophobicContact CB-CE1 4.04Å; A217-F494 HydrophobicContact CB-CZ 4.37Å; A217-F497 HydrophobicContact CB-CD2 4.2Å; A217-F497 HydrophobicContact CB-CE2 3.98Å
218	F	98.5	Very high	94.5	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-46.4	176.4	179.3	-105.3	0	0	0	112.9	L214 H215 R216 A221 G222 L241 F416 F418 V438 I488 F489 F494	L214-F218 WeakPolarHBondContact O-CB 3.35Å; L214-F218 PolarHBondContact O-N 2.66Å; H215-F218 PolarHBondContact O-N 2.54Å; R216-F218 VanDerWaalsContact C-N 3.28Å; R216-F218 PolarHBondContact O-N 3.05Å; F218-A221 PolarHBondContact O-N 3.36Å; F218-G222 PolarHBondContact O-N 2.83Å; F218-L241 HydrophobicContact CD1-CD1 4.38Å; F218-L241 HydrophobicContact CE1-CB 4.38Å; F218-L241 HydrophobicContact CE1-CD1 3.78Å; F218-L241 HydrophobicContact CE1-CD2 4.23Å; F218-L241 HydrophobicContact CE1-CG 4.36Å; F218-L241 HydrophobicContact CE2-CD1 4.22Å; F218-L241 HydrophobicContact CZ-CD1 3.71Å; F218-L241 HydrophobicContact CZ-CD2 4.23Å; F218-F416 HydrophobicContact CZ-CB 4.01Å; F218-F416 HydrophobicContact CZ-CG 4.4Å; F218-F418 HydrophobicContact CB-CB 4.47Å; F218-F418 HydrophobicContact CB-CD1 4.18Å; F218-F418 HydrophobicContact CB-CD2 3.83Å; F218-F418 HydrophobicContact CB-CE1 4.41Å; F218-F418 HydrophobicContact CB-CE2 4.08Å; F218-F418 HydrophobicContact CB-CG 3.88Å; F218-F418 HydrophobicContact CB-CZ 4.37Å; F218-F418 HydrophobicContact CD1-CB 3.75Å; F218-F418 HydrophobicContact CD1-CD2 4.37Å; F218-F418 HydrophobicContact CD1-CG 4.09Å; F218-F418 HydrophobicContact CD2-CB 4.17Å; F218-F418 AromaticContact CD2-CD2 3.41Å; F218-F418 HydrophobicContact CD2-CD2 3.41Å; F218-F418 VanDerWaalsContact CD2-CD2 3.41Å; F218-F418 HydrophobicContact CD2-CE2 4.05Å; F218-F418 AromaticContact CD2-CG 3.96Å; F218-F418 HydrophobicContact CD2-CG 3.96Å; F218-F418 HydrophobicContact CE1-CB 3.97Å; F218-F418 HydrophobicContact CE2-CB 4.37Å; F218-F418 HydrophobicContact CE2-CD2 4.04Å; F218-F418 HydrophobicContact CG-CB 3.84Å; F218-F418 HydrophobicContact CG-CD1 4.43Å; F218-F418 AromaticContact CG-CD2 3.59Å; F218-F418 HydrophobicContact CG-CD2 3.59Å; F218-F418 HydrophobicContact CG-CE2 4.27Å; F218-F418 AromaticContact CG-CG 3.68Å; F218-F418 HydrophobicContact CG-CG 3.68Å; F218-F418 HydrophobicContact CZ-CB 4.26Å; F218-V438 HydrophobicContact CD2-CG1 4.2Å; F218-V438 HydrophobicContact CE2-CG1 3.43Å; F218-V438 VanDerWaalsContact CE2-CG1 3.43Å; F218-V438 HydrophobicContact CZ-CG1 3.86Å; F218-I488 HydrophobicContact CD2-CG2 4.11Å; F218-I488 HydrophobicContact CE2-CG2 3.92Å; F218-F489 HydrophobicContact CD2-CE1 4.13Å; F218-F489 HydrophobicContact CE2-CE1 4.35Å; F218-F494 HydrophobicContact CB-CE2 4.42Å; F218-F494 HydrophobicContact CB-CZ 3.9Å; F218-F494 HydrophobicContact CD2-CE2 4.38Å; F218-F494 HydrophobicContact CD2-CZ 4.23Å
219	I	97.9	Very high	95.1	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.051	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-47.5	178.6	-64.2	166.8	0	0	0	110.5	H215 R216 A221 G222 Q223 F229 W243	H215-I219 WeakPolarHBondContact O-CG1 3.46Å; H215-I219 PolarHBondContact O-N 2.8Å; H215-I219 VanDerWaalsContact O-N 3.12Å; R216-I219 PolarHBondContact O-N 3.12Å; I219-A221 VanDerWaalsContact C-N 3.3Å; I219-A221 PolarHBondContact O-N 2.94Å; I219-G222 PolarHBondContact O-N 2.64Å; I219-Q223 PolarHBondContact O-N 3.46Å; I219-F229 HydrophobicContact CG2-CD2 3.57Å; I219-F229 HydrophobicContact CG2-CE2 3.87Å; I219-W243 HydrophobicContact CD1-CD2 3.87Å; I219-W243 HydrophobicContact CD1-CE3 4.29Å; I219-W243 HydrophobicContact CD1-CG 4.28Å; I219-W243 HydrophobicContact CD1-CH2 4.34Å; I219-W243 HydrophobicContact CD1-CZ2 3.93Å
220	E	98.5	Very high	95.8	Very high	62 Å²	62	41.3 Å²	41.3	29%	0.29	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-37.7	177.9	-72.3	177.5	-179.1	0	0	111.8	R216 Q223 Q224 A493	R216-E220 HydrophobicContact CG-CG 4.33Å; R216-E220 WeakPolarHBondContact CG-OE1 3.5Å; R216-E220 IonicContact CZ-OE1 3.6Å; R216-E220 IonicContact NE-OE1 3.79Å; R216-E220 PolarHBondContact NE-OE1 2.88Å; R216-E220 IonicContact NH2-OE1 3.33Å; R216-E220 PolarHBondContact NH2-OE1 3.23Å; R216-E220 VanDerWaalsContact NH2-OE1 3.15Å; R216-E220 WeakPolarHBondContact O-CB 3.27Å; R216-E220 WeakPolarHBondContact O-CG 3.37Å; R216-E220 PolarHBondContact O-N 2.56Å; E220-Q223 PolarHBondContact O-N 2.69Å; E220-Q224 VanDerWaalsContact O-CG 3.27Å; E220-Q224 WeakPolarHBondContact O-CG 3.4Å; E220-Q224 PolarHBondContact O-N 2.9Å; E220-A493 HydrophobicContact CB-CB 3.84Å
221	A	98.7	Very high	96.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-43.2	173.9	0	0	0	0	0	112	A217 F218 I219 Q223 Q224 A225 I488 Q491 A493 F494	A217-A221 WeakPolarHBondContact O-CB 3.39Å; A217-A221 PolarHBondContact O-N 3.48Å; F218-A221 PolarHBondContact O-N 3.36Å; I219-A221 VanDerWaalsContact C-N 3.3Å; I219-A221 PolarHBondContact O-N 2.94Å; A221-Q223 VanDerWaalsContact C-N 3.29Å; A221-Q223 PolarHBondContact O-N 3.33Å; A221-Q224 PolarHBondContact O-N 3.45Å; A221-Q224 VanDerWaalsContact O-N 3.17Å; A221-A225 WeakPolarHBondContact O-CB 3.28Å; A221-A225 PolarHBondContact O-N 3.03Å; A221-I488 HydrophobicContact CB-CG2 3.89Å; A221-I488 WeakPolarHBondContact CB-O 3.27Å; A221-Q491 HydrophobicContact CB-CB 3.87Å; A221-Q491 HydrophobicContact CB-CG 4.33Å; A221-Q491 WeakPolarHBondContact O-CG 3.42Å; A221-A493 HydrophobicContact CB-CB 4.15Å; A221-F494 HydrophobicContact CB-CD2 3.62Å; A221-F494 HydrophobicContact CB-CE2 3.55Å
222	G	98.2	Very high	97	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.2	-45.7	173.6	0	0	0	0	0	112.8	F218 I219 A225 G226 Y227 L241	F218-G222 PolarHBondContact O-N 2.83Å; I219-G222 PolarHBondContact O-N 2.64Å; G222-A225 PolarHBondContact O-N 3.14Å; G222-G226 PolarHBondContact O-N 3.12Å; G222-Y227 WeakPolarHBondContact O-CB 3.44Å; G222-Y227 PolarHBondContact O-N 3.07Å; G222-L241 VanDerWaalsContact CA-CD1 3.41Å
223	Q	98.1	Very high	97.1	Very high	102 Å²	102	36.8 Å²	36.8	48%	0.477	19%	0.189	S	C	.	.	H	α-helix	trans	-65.6	-39.3	177.2	-63.2	-177.2	-90.1	0	0	112.5	I219 E220 A221 A225 G226 Y227 F229	I219-Q223 PolarHBondContact O-N 3.46Å; E220-Q223 PolarHBondContact O-N 2.69Å; A221-Q223 VanDerWaalsContact C-N 3.29Å; A221-Q223 PolarHBondContact O-N 3.33Å; Q223-A225 VanDerWaalsContact C-N 3.3Å; Q223-A225 PolarHBondContact O-N 2.87Å; Q223-G226 WeakPolarHBondContact O-CA 3.38Å; Q223-G226 PolarHBondContact O-N 3.16Å; Q223-Y227 WeakPolarHBondContact CA-O 3.23Å; Q223-F229 HydrophobicContact CG-CB 4.16Å
224	Q	98.6	Very high	97.1	Very high	88 Å²	88	34 Å²	34	41%	0.411	17%	0.171	S	C	.	.	H	α-helix	trans	-65	-34.3	175.6	-72.5	169.4	9.9	0	0	112.4	E220 A221 G226 Q491	E220-Q224 VanDerWaalsContact O-CG 3.27Å; E220-Q224 WeakPolarHBondContact O-CG 3.4Å; E220-Q224 PolarHBondContact O-N 2.9Å; A221-Q224 PolarHBondContact O-N 3.45Å; A221-Q224 VanDerWaalsContact O-N 3.17Å; Q224-G226 PolarHBondContact O-N 3.33Å; Q224-Q491 HydrophobicContact CB-CB 3.98Å; Q224-Q491 HydrophobicContact CB-CG 4.09Å
225	A	97.9	Very high	97.1	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.041	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-7.9	170.6	0	0	0	0	0	112.9	A221 G222 Q223 Y227 I488 Q491 R610	A221-A225 WeakPolarHBondContact O-CB 3.28Å; A221-A225 PolarHBondContact O-N 3.03Å; G222-A225 PolarHBondContact O-N 3.14Å; Q223-A225 VanDerWaalsContact C-N 3.3Å; Q223-A225 PolarHBondContact O-N 2.87Å; A225-Y227 HydrophobicContact CB-CD2 3.78Å; A225-Y227 HydrophobicContact CB-CE2 3.77Å; A225-I488 HydrophobicContact CB-CG1 4.48Å; A225-Q491 HydrophobicContact CB-CG 4.02Å; A225-R610 WeakPolarHBondContact O-CD 3.25Å; A225-R610 PolarHBondContact O-NH1 2.97Å
226	G	96.3	Very high	97	Very high	41 Å²	41	38.9 Å²	38.9	42%	0.423	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	10.9	177.9	0	0	0	0	0	114.7	G222 Q223 Q224	G222-G226 PolarHBondContact O-N 3.12Å; Q223-G226 WeakPolarHBondContact O-CA 3.38Å; Q223-G226 PolarHBondContact O-N 3.16Å; Q224-G226 PolarHBondContact O-N 3.33Å
227	Y	96.6	Very high	97.1	Very high	6 Å²	6	33.1 Å²	33.1	2%	0.024	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-81.9	145.6	169.9	-58.3	-68.2	0	0	0	110.7	G222 Q223 A225 I403 L484 I488 Q609 R610	G222-Y227 WeakPolarHBondContact O-CB 3.44Å; G222-Y227 PolarHBondContact O-N 3.07Å; Q223-Y227 WeakPolarHBondContact CA-O 3.23Å; A225-Y227 HydrophobicContact CB-CD2 3.78Å; A225-Y227 HydrophobicContact CB-CE2 3.77Å; Y227-I403 HydrophobicContact CD1-CB 4.05Å; Y227-I403 HydrophobicContact CD1-CD1 4.37Å; Y227-I403 HydrophobicContact CD1-CG2 3.73Å; Y227-I403 HydrophobicContact CE1-CB 4.17Å; Y227-I403 HydrophobicContact CE1-CD1 3.84Å; Y227-I403 HydrophobicContact CE1-CG1 4.44Å; Y227-I403 HydrophobicContact CE1-CG2 4.22Å; Y227-I403 HydrophobicContact CE2-CD1 4.32Å; Y227-I403 HydrophobicContact CG-CG2 3.95Å; Y227-L484 WeakPolarHBondContact OH-CD2 3.33Å; Y227-I488 HydrophobicContact CD2-CD1 4.48Å; Y227-I488 HydrophobicContact CD2-CG1 4.36Å; Y227-I488 HydrophobicContact CE2-CD1 4.35Å; Y227-I488 HydrophobicContact CE2-CG1 4.14Å; Y227-Q609 HydrophobicContact CE1-CG 4.38Å; Y227-Q609 PolarHBondContact OH-OE1 2.95Å; Y227-R610 HydrophobicContact CD1-CG 4.09Å; Y227-R610 HydrophobicContact CE1-CG 3.83Å; Y227-R610 PolarHBondContact OH-NE 3.44Å; Y227-R610 PolarHBondContact OH-NH2 3.14Å
228	P	95.3	Very high	97	Very high	35 Å²	35	33.2 Å²	33.2	23%	0.227	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-66.7	156.2	-179.5	26.5	-32.4	0	0	0	111.6	E239 G240 L241	P228-E239 HydrophobicContact CG-CG 4.18Å; P228-G240 CarbonylContact O-C 3.58Å; P228-G240 WeakPolarHBondContact O-CA 3.07Å; P228-L241 PolarHBondContact O-N 3.39Å
229	F	97.1	Very high	96.9	Very high	75 Å²	75	33.5 Å²	33.5	33%	0.329	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.4	164.1	169.9	-106.3	0	0	0	109.2	I219 Q223 N231 Q237 L241	I219-F229 HydrophobicContact CG2-CD2 3.57Å; I219-F229 HydrophobicContact CG2-CE2 3.87Å; Q223-F229 HydrophobicContact CG-CB 4.16Å; F229-N231 HydrophobicContact CE1-CB 3.92Å; F229-N231 HydrophobicContact CZ-CB 4.44Å; F229-Q237 PolarHBondContact O-NE2 2.92Å; F229-L241 WeakPolarHBondContact CA-O 3.43Å; F229-L241 VanDerWaalsContact CD2-O 3.3Å; F229-L241 WeakPolarHBondContact CD2-O 3.42Å
230	T	96.2	Very high	96.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.3	169	175.1	0	0	0	0	110.9	D232 M233 Q237 L241	T230-D232 VanDerWaalsContact OG1-C 3.31Å; T230-D232 PolarHBondContact OG1-N 2.86Å; T230-D232 PolarHBondContact OG1-O 2.81Å; T230-M233 HydrophobicContact CG2-CE 3.9Å; T230-M233 HydrophobicContact CG2-CG 3.54Å; T230-M233 PolarHBondContact OG1-N 3.2Å; T230-Q237 WeakPolarHBondContact CB-O 3.18Å; T230-Q237 PolarHBondContact OG1-O 2.78Å; T230-L241 PolarHBondContact N-O 3.48Å
231	N	93.8	Very high	96.9	Very high	104 Å²	104	30.1 Å²	30.1	56%	0.556	16%	0.16	S	C	*	.	S	Bend	trans	-79.2	-22.6	174.4	-173.4	52.8	0	0	0	112.4	R207 F229	R207-N231 PolarHBondContact NH1-O 3.02Å; F229-N231 HydrophobicContact CE1-CB 3.92Å; F229-N231 HydrophobicContact CZ-CB 4.44Å
232	D	94.9	Very high	96.8	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.059	16%	0.16	C	C	.	.			trans	-155.7	102.2	179.3	-176.2	1.5	0	0	0	109.8	R197 R207 T230 N234 G235	R197-D232 WeakPolarHBondContact CD-OD2 3.39Å; R197-D232 IonicContact CZ-OD2 3.98Å; R197-D232 IonicContact NH1-OD2 3.55Å; R197-D232 PolarHBondContact NH1-OD2 3.28Å; R207-D232 IonicContact NH2-OD1 3.97Å; T230-D232 VanDerWaalsContact OG1-C 3.31Å; T230-D232 PolarHBondContact OG1-N 2.86Å; T230-D232 PolarHBondContact OG1-O 2.81Å; D232-N234 PolarHBondContact O-N 3.39Å; D232-N234 VanDerWaalsContact O-N 3.14Å; D232-N234 WeakPolarHBondContact OD1-CA 3.4Å; D232-N234 WeakPolarHBondContact OD1-CB 3.34Å; D232-N234 PolarHBondContact OD1-N 3.23Å; D232-G235 PolarHBondContact O-N 2.84Å; D232-G235 PolarHBondContact OD1-N 3.24Å
233	M	95.4	Very high	96.7	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.02	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.7	178.1	-63.3	175.2	-166.2	0	0	113	I156 T230 Q238 G242 M244 G400 F402	I156-M233 HydrophobicContact CD1-CB 4.06Å; I156-M233 HydrophobicContact CD1-SD 4.28Å; T230-M233 HydrophobicContact CG2-CE 3.9Å; T230-M233 HydrophobicContact CG2-CG 3.54Å; T230-M233 PolarHBondContact OG1-N 3.2Å; M233-Q238 WeakPolarHBondContact O-CG 3.13Å; M233-G242 VanDerWaalsContact CE-O 3.28Å; M233-G242 WeakPolarHBondContact CE-O 3.33Å; M233-M244 HydrophobicContact CE-CG 4.17Å; M233-M244 HydrophobicContact SD-CE 4.22Å; M233-M244 HydrophobicContact SD-CG 3.9Å; M233-G400 VanDerWaalsContact CE-C 3.45Å; M233-G400 WeakPolarHBondContact CE-O 3.34Å; M233-F402 HydrophobicContact CB-CE2 4.41Å; M233-F402 HydrophobicContact CG-CD2 4.49Å; M233-F402 HydrophobicContact SD-CD2 4.28Å; M233-F402 HydrophobicContact SD-CE2 4.12Å
234	N	97.3	Very high	96.6	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.027	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	0.7	178.9	-65.1	-57.8	0	0	0	113	Y155 I156 R157 D232 D245	Y155-N234 PolarHBondContact O-ND2 3.41Å; I156-N234 VanDerWaalsContact CA-OD1 3.27Å; I156-N234 WeakPolarHBondContact CA-OD1 3.26Å; R157-N234 HydrophobicContact CG-CB 4.31Å; R157-N234 PolarHBondContact N-OD1 3.28Å; R157-N234 PolarHBondContact NH1-O 3.18Å; D232-N234 PolarHBondContact O-N 3.39Å; D232-N234 VanDerWaalsContact O-N 3.14Å; D232-N234 WeakPolarHBondContact OD1-CA 3.4Å; D232-N234 WeakPolarHBondContact OD1-CB 3.34Å; D232-N234 PolarHBondContact OD1-N 3.23Å; N234-D245 PolarHBondContact ND2-OD2 3.4Å
235	G	96.4	Very high	96.5	Very high	10 Å²	10	24.2 Å²	24.2	10%	0.103	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-145.5	-176.5	0	0	0	0	0	112.8	D232 Q237	D232-G235 PolarHBondContact O-N 2.84Å; D232-G235 PolarHBondContact OD1-N 3.24Å; G235-Q237 VanDerWaalsContact C-N 3.31Å; G235-Q237 PolarHBondContact O-N 3.13Å
236	F	97.2	Very high	96.5	Very high	92 Å²	92	24.2 Å²	24.2	40%	0.404	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.1	-178.2	170.3	-113.7	0	0	0	113.7	Y196 P599 Y601	Y196-F236 HydrophobicContact CE1-CB 4.46Å; Y196-F236 HydrophobicContact CE2-CB 3.92Å; F236-P599 HydrophobicContact CD2-CB 4.17Å; F236-P599 HydrophobicContact CD2-CG 4.43Å; F236-P599 HydrophobicContact CE2-CB 3.98Å; F236-Y601 AromaticContact CE1-CD2 3.88Å; F236-Y601 HydrophobicContact CE1-CD2 3.88Å; F236-Y601 HydrophobicContact CE1-CG 4.47Å; F236-Y601 HydrophobicContact CZ-CD2 4.15Å; F236-Y601 VanDerWaalsContact O-CB 3.23Å; F236-Y601 WeakPolarHBondContact O-CB 3.43Å; F236-Y601 PolarHBondContact O-N 2.9Å
237	Q	97	Very high	96.6	Very high	40 Å²	40	22.3 Å²	22.3	19%	0.187	11%	0.109	C	C	.	.			trans	-125.2	102.7	-171.8	-178.6	-175.2	-36.2	0	0	111.3	F229 T230 G235 E239 Y601	F229-Q237 PolarHBondContact O-NE2 2.92Å; T230-Q237 WeakPolarHBondContact CB-O 3.18Å; T230-Q237 PolarHBondContact OG1-O 2.78Å; G235-Q237 VanDerWaalsContact C-N 3.31Å; G235-Q237 PolarHBondContact O-N 3.13Å; Q237-E239 WeakPolarHBondContact CG-O 3.38Å; Q237-E239 PolarHBondContact NE2-O 2.9Å; Q237-Y601 HydrophobicContact CB-CD2 4.21Å; Q237-Y601 HydrophobicContact CB-CG 3.98Å; Q237-Y601 HydrophobicContact CG-CD1 3.88Å; Q237-Y601 HydrophobicContact CG-CD2 3.85Å; Q237-Y601 HydrophobicContact CG-CE1 4.34Å; Q237-Y601 HydrophobicContact CG-CE2 4.33Å; Q237-Y601 HydrophobicContact CG-CG 3.6Å
238	Q	97.2	Very high	96.7	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.028	11%	0.111	C	C	.	.			trans	-75.8	-37.7	171.6	-170.9	179.9	32	0	0	112.1	H159 M233 G240 F402 S569	H159-Q238 PolarHBondContact CD2-OE1 2.85Å; M233-Q238 WeakPolarHBondContact O-CG 3.13Å; Q238-G240 PolarHBondContact O-N 3.09Å; Q238-F402 HydrophobicContact CG-CB 4.07Å; Q238-F402 HydrophobicContact CG-CD1 4.42Å; Q238-F402 HydrophobicContact CG-CD2 3.54Å; Q238-F402 HydrophobicContact CG-CE2 4.06Å; Q238-F402 HydrophobicContact CG-CG 3.76Å; Q238-S569 PolarHBondContact NE2-O 3.14Å
239	E	97.2	Very high	96.8	Very high	6 Å²	6	24.5 Å²	24.5	3%	0.028	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-64.5	128.9	-176.3	-170.4	170.2	-175.6	0	0	111.6	P228 Q237 F402 R404 P412 Y601	P228-E239 HydrophobicContact CG-CG 4.18Å; Q237-E239 WeakPolarHBondContact CG-O 3.38Å; Q237-E239 PolarHBondContact NE2-O 2.9Å; E239-F402 CarbonylContact C-O 3.6Å; E239-F402 WeakPolarHBondContact CA-O 3.41Å; E239-R404 IonicContact OE1-CZ 3.74Å; E239-R404 IonicContact OE1-NE 3.91Å; E239-R404 PolarHBondContact OE1-NE 3.16Å; E239-R404 IonicContact OE1-NH2 2.83Å; E239-R404 IonicContact OE2-NE 2.78Å; E239-P412 HydrophobicContact CB-CB 4.41Å; E239-P412 HydrophobicContact CB-CG 3.94Å; E239-P412 HydrophobicContact CG-CB 4.29Å; E239-P412 HydrophobicContact CG-CG 4.35Å; E239-Y601 HydrophobicContact CB-CD1 4.29Å; E239-Y601 HydrophobicContact CB-CE1 4.22Å
240	G	97.2	Very high	96.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.9	176.2	-178.5	0	0	0	0	0	114	P228 Q238 G401 F402	P228-G240 CarbonylContact O-C 3.58Å; P228-G240 WeakPolarHBondContact O-CA 3.07Å; Q238-G240 PolarHBondContact O-N 3.09Å; G240-G401 CarbonylContact O-C 3.51Å; G240-G401 WeakPolarHBondContact O-CA 3.12Å; G240-F402 PolarHBondContact N-O 3.2Å; G240-F402 PolarHBondContact O-N 2.98Å
241	L	98.2	Very high	96.7	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	144.3	172.5	-52.9	-169.4	0	0	0	110.7	F218 G222 P228 F229 T230 G400 I403 F416 I488	F218-L241 HydrophobicContact CD1-CD1 4.38Å; F218-L241 HydrophobicContact CE1-CB 4.38Å; F218-L241 HydrophobicContact CE1-CD1 3.78Å; F218-L241 HydrophobicContact CE1-CD2 4.23Å; F218-L241 HydrophobicContact CE1-CG 4.36Å; F218-L241 HydrophobicContact CE2-CD1 4.22Å; F218-L241 HydrophobicContact CZ-CD1 3.71Å; F218-L241 HydrophobicContact CZ-CD2 4.23Å; G222-L241 VanDerWaalsContact CA-CD1 3.41Å; P228-L241 PolarHBondContact O-N 3.39Å; F229-L241 WeakPolarHBondContact CA-O 3.43Å; F229-L241 VanDerWaalsContact CD2-O 3.3Å; F229-L241 WeakPolarHBondContact CD2-O 3.42Å; T230-L241 PolarHBondContact N-O 3.48Å; L241-G400 VanDerWaalsContact CA-O 3.32Å; L241-G400 WeakPolarHBondContact CA-O 3.4Å; L241-I403 HydrophobicContact CD2-CG2 4.26Å; L241-F416 HydrophobicContact CD2-CD2 4.17Å; L241-I488 HydrophobicContact CD1-CD1 4.13Å; L241-I488 HydrophobicContact CD1-CG2 4.43Å
242	G	96.9	Very high	96.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	-162.7	-174	0	0	0	0	0	114.3	M233 S399 G400	M233-G242 VanDerWaalsContact CE-O 3.28Å; M233-G242 WeakPolarHBondContact CE-O 3.33Å; G242-S399 VanDerWaalsContact O-CA 3.29Å; G242-S399 WeakPolarHBondContact O-CA 3.48Å; G242-S399 WeakPolarHBondContact O-CB 3.45Å; G242-G400 PolarHBondContact N-O 3.33Å; G242-G400 PolarHBondContact O-N 2.96Å; G242-G400 VanDerWaalsContact O-N 3.09Å
243	W	95.9	Very high	97	Very high	63 Å²	63	23 Å²	23	24%	0.239	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	137.9	178.3	-60	102.9	0	0	0	111.3	R207 H215 I219 E398	R207-W243 HydrophobicContact CG-CB 4.03Å; H215-W243 HydrophobicContact CB-CH2 3.98Å; H215-W243 HydrophobicContact CB-CZ3 3.7Å; I219-W243 HydrophobicContact CD1-CD2 3.87Å; I219-W243 HydrophobicContact CD1-CE3 4.29Å; I219-W243 HydrophobicContact CD1-CG 4.28Å; I219-W243 HydrophobicContact CD1-CH2 4.34Å; I219-W243 HydrophobicContact CD1-CZ2 3.93Å; W243-E398 WeakPolarHBondContact CA-O 3.47Å; W243-E398 HydrophobicContact CE3-CB 4.37Å; W243-E398 HydrophobicContact CZ3-CB 4.37Å
244	M	95.9	Very high	97.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-93.8	144.6	175.5	-76.3	-177.3	159.1	0	0	111.2	V154 G208 M233 E398 F416	V154-M244 HydrophobicContact CG1-SD 4.24Å; G208-M244 PolarHBondContact N-O 3.5Å; G208-M244 VanDerWaalsContact N-O 3.12Å; M233-M244 HydrophobicContact CE-CG 4.17Å; M233-M244 HydrophobicContact SD-CE 4.22Å; M233-M244 HydrophobicContact SD-CG 3.9Å; M244-E398 PolarHBondContact N-O 2.8Å; M244-F416 WeakPolarHBondContact CE-O 3.44Å
245	D	97.3	Very high	97.2	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	152.1	170.1	-62.4	-26.1	0	0	0	110.1	Y155 H189 V205 S206 R207 N234	Y155-D245 HydrophobicContact CD1-CB 4.26Å; Y155-D245 PolarHBondContact N-O 2.9Å; H189-D245 IonicContact CD2-OD2 3.46Å; H189-D245 IonicContact CE1-OD1 3.52Å; H189-D245 VanDerWaalsContact NE2-CG 3.29Å; H189-D245 IonicContact NE2-OD1 3.52Å; H189-D245 PolarHBondContact NE2-OD1 2.86Å; H189-D245 IonicContact NE2-OD2 3.42Å; H189-D245 PolarHBondContact NE2-OD2 3.25Å; V205-D245 HydrophobicContact CG1-CB 3.61Å; S206-D245 CarbonylContact O-C 3.52Å; S206-D245 WeakPolarHBondContact O-CA 3.15Å; R207-D245 IonicContact CZ-OD1 2.77Å; R207-D245 IonicContact NE-OD1 2.66Å; R207-D245 PolarHBondContact NE-OD1 3.2Å; R207-D245 IonicContact NH2-OD1 2.73Å; R207-D245 PolarHBondContact NH2-OD1 3.46Å; R207-D245 IonicContact NH2-OD2 2.65Å; R207-D245 PolarHBondContact NH2-OD2 3.33Å; N234-D245 PolarHBondContact ND2-OD2 3.4Å
246	M	97.3	Very high	97.3	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.025	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.5	-176.4	-65.2	176.6	-76.4	0	0	111.5	M153 V205 S206 I248 A395 E398	M153-M246 CarbonylContact O-C 3.48Å; M153-M246 WeakPolarHBondContact O-CA 3.35Å; V205-M246 CarbonylContact C-O 3.55Å; V205-M246 WeakPolarHBondContact CA-O 3.39Å; S206-M246 PolarHBondContact N-O 3.04Å; S206-M246 PolarHBondContact O-N 3.33Å; M246-I248 HydrophobicContact CB-CD1 4.15Å; M246-I248 HydrophobicContact CB-CG1 4.14Å; M246-I248 PolarHBondContact O-N 2.86Å; M246-I248 HydrophobicContact SD-CD1 3.91Å; M246-A395 HydrophobicContact SD-CB 4.14Å; M246-E398 HydrophobicContact CE-CG 4.03Å
247	T	98.2	Very high	97.4	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.012	9%	0.088	C	C	.	.			trans	-79.9	66.1	169.1	59.7	0	0	0	0	110.5	M153 Y155 L203 V205 W254	M153-T247 PolarHBondContact O-N 3.24Å; M153-T247 PolarHBondContact O-OG1 2.9Å; Y155-T247 HydrophobicContact CD2-CG2 3.89Å; L203-T247 HydrophobicContact CD1-CG2 4.21Å; L203-T247 HydrophobicContact CD2-CG2 4.03Å; L203-T247 HydrophobicContact CG-CG2 4.19Å; V205-T247 HydrophobicContact CG2-CG2 4.36Å; T247-W254 WeakPolarHBondContact O-CB 3.44Å; T247-W254 PolarHBondContact O-N 3.27Å
248	I	97.9	Very high	97.5	Very high	11 Å²	11	17.8 Å²	17.8	6%	0.056	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.8	175.5	-65.2	175.8	0	0	0	108.3	P107 M153 S206 M246 K252 A395	P107-I248 HydrophobicContact CB-CD1 3.78Å; P107-I248 HydrophobicContact CB-CG1 4.44Å; P107-I248 HydrophobicContact CG-CD1 3.81Å; P107-I248 HydrophobicContact CG-CG1 4.04Å; P107-I248 HydrophobicContact CG-CG2 4.24Å; M153-I248 HydrophobicContact CB-CD1 4.47Å; M153-I248 HydrophobicContact CB-CG1 4.11Å; M153-I248 HydrophobicContact CG-CG1 4.3Å; M153-I248 HydrophobicContact SD-CD1 3.96Å; M153-I248 HydrophobicContact SD-CG1 3.77Å; S206-I248 PolarHBondContact OG-O 2.74Å; M246-I248 HydrophobicContact CB-CD1 4.15Å; M246-I248 HydrophobicContact CB-CG1 4.14Å; M246-I248 PolarHBondContact O-N 2.86Å; M246-I248 HydrophobicContact SD-CD1 3.91Å; I248-K252 WeakPolarHBondContact CA-O 3.44Å; I248-A395 HydrophobicContact CD1-CB 4.46Å
249	Y	97.6	Very high	97.5	Very high	75 Å²	75	17.8 Å²	17.8	29%	0.294	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126.5	179.5	-178.3	-109.4	0	0	0	110.5	H204 G251 K252 W254	H204-Y249 HydrophobicContact CB-CD2 3.63Å; H204-Y249 HydrophobicContact CB-CG 3.76Å; H204-Y249 AromaticContact CD2-CD2 3.86Å; H204-Y249 AromaticContact CD2-CG 3.88Å; H204-Y249 AromaticContact CE1-CE2 3.75Å; H204-Y249 AromaticContact CG-CD2 3.43Å; H204-Y249 VanDerWaalsContact CG-CD2 3.43Å; H204-Y249 AromaticContact CG-CE2 3.85Å; H204-Y249 AromaticContact CG-CG 3.75Å; H204-Y249 AromaticContact ND1-CD2 3.63Å; H204-Y249 AromaticContact ND1-CE2 3.66Å; Y249-G251 PolarHBondContact O-N 3.23Å; Y249-K252 PolarHBondContact N-O 3.42Å; Y249-K252 WeakPolarHBondContact O-CE 3.15Å; Y249-K252 PolarHBondContact O-N 3.32Å; Y249-W254 HydrophobicContact CD1-CD2 4.16Å; Y249-W254 AromaticContact CD1-CE3 3.85Å; Y249-W254 HydrophobicContact CD1-CE3 3.85Å; Y249-W254 AromaticContact CD1-CH2 3.7Å; Y249-W254 HydrophobicContact CD1-CH2 3.7Å; Y249-W254 HydrophobicContact CD1-CZ2 4.04Å; Y249-W254 AromaticContact CD1-CZ3 3.61Å; Y249-W254 HydrophobicContact CD1-CZ3 3.61Å; Y249-W254 HydrophobicContact CE1-CH2 4.23Å; Y249-W254 HydrophobicContact CE1-CZ3 4.47Å; Y249-W254 HydrophobicContact CG-CD2 4.26Å; Y249-W254 HydrophobicContact CG-CE3 4.23Å; Y249-W254 HydrophobicContact CG-CZ3 4.44Å
250	E	95.9	Very high	97.6	Very high	113 Å²	113	17.5 Å²	17.5	53%	0.528	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	44.8	-176	-63	172.6	173.5	0	0	112.5	K252 Y388	E250-K252 VanDerWaalsContact O-CE 3.26Å; E250-K252 WeakPolarHBondContact O-CE 3.26Å; E250-K252 PolarHBondContact O-N 2.86Å; E250-K252 VanDerWaalsContact O-N 3.16Å; E250-K252 IonicContact OE2-NZ 3.06Å; E250-K252 PolarHBondContact OE2-NZ 2.87Å; E250-Y388 WeakPolarHBondContact O-CB 3.14Å
251	G	96.1	Very high	97.7	Very high	13 Å²	13	17.5 Å²	17.5	13%	0.134	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	11.1	179.3	0	0	0	0	0	116	P107 Y249 W384 Y388	P107-G251 WeakPolarHBondContact CD-O 3.13Å; Y249-G251 PolarHBondContact O-N 3.23Å; G251-W384 PolarHBondContact O-NE1 3.17Å; G251-Y388 WeakPolarHBondContact CA-O 3.32Å
252	K	97.6	Very high	97.7	Very high	33 Å²	33	19.8 Å²	19.8	14%	0.143	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.4	175.5	-62	154.8	-70.3	-173.6	0	109.7	V98 H105 I248 Y249 E250 W254 W384 Y388	V98-K252 HydrophobicContact CG1-CD 4.4Å; H105-K252 WeakPolarHBondContact O-CA 3.45Å; I248-K252 WeakPolarHBondContact CA-O 3.44Å; Y249-K252 PolarHBondContact N-O 3.42Å; Y249-K252 WeakPolarHBondContact O-CE 3.15Å; Y249-K252 PolarHBondContact O-N 3.32Å; E250-K252 VanDerWaalsContact O-CE 3.26Å; E250-K252 WeakPolarHBondContact O-CE 3.26Å; E250-K252 PolarHBondContact O-N 2.86Å; E250-K252 VanDerWaalsContact O-N 3.16Å; E250-K252 IonicContact OE2-NZ 3.06Å; E250-K252 PolarHBondContact OE2-NZ 2.87Å; K252-W254 PolarHBondContact O-N 3.3Å; K252-W384 HydrophobicContact CG-CZ2 4.08Å; K252-Y388 HydrophobicContact CD-CD1 4.49Å; K252-Y388 HydrophobicContact CD-CD2 4.19Å; K252-Y388 HydrophobicContact CD-CE1 4.5Å; K252-Y388 HydrophobicContact CD-CE2 4.19Å; K252-Y388 HydrophobicContact CD-CG 4.34Å; K252-Y388 HydrophobicContact CG-CD1 4.12Å; K252-Y388 HydrophobicContact CG-CE1 4.39Å; K252-Y388 HydrophobicContact CG-CG 4.19Å
253	R	98.1	Very high	97.7	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	132.8	162.9	173.7	-173	-63.5	-80.4	-3.6	109.8	I104 H105 S148 S149 N151 M153	I104-R253 WeakPolarHBondContact O-CD 3.1Å; I104-R253 PolarHBondContact O-NE 3.37Å; H105-R253 PolarHBondContact O-N 3.41Å; S148-R253 PolarHBondContact O-NH1 2.77Å; S149-R253 PolarHBondContact O-NE 3.05Å; N151-R253 PolarHBondContact O-NH1 2.86Å; N151-R253 PolarHBondContact O-NH2 3.42Å; N151-R253 PolarHBondContact OD1-NH1 3.21Å; M153-R253 HydrophobicContact CG-CG 4.07Å; M153-R253 HydrophobicContact SD-CB 3.96Å; M153-R253 HydrophobicContact SD-CG 4.14Å
254	W	98.3	Very high	97.8	Very high	37 Å²	37	21 Å²	21	14%	0.14	11%	0.105	C	C	.	.			trans	-110.6	77.3	177.8	-152	-109.7	0	0	0	111.9	P202 H204 T247 Y249 K252	P202-W254 PolarHBondContact O-NE1 3.06Å; P202-W254 VanDerWaalsContact O-NE1 3.17Å; H204-W254 HydrophobicContact CB-CG 4.16Å; H204-W254 AromaticContact CD2-CE2 3.71Å; H204-W254 AromaticContact CD2-CZ2 3.87Å; H204-W254 AromaticContact CD2-NE1 3.51Å; H204-W254 VanDerWaalsContact N-CD1 3.26Å; T247-W254 WeakPolarHBondContact O-CB 3.44Å; T247-W254 PolarHBondContact O-N 3.27Å; Y249-W254 HydrophobicContact CD1-CD2 4.16Å; Y249-W254 AromaticContact CD1-CE3 3.85Å; Y249-W254 HydrophobicContact CD1-CE3 3.85Å; Y249-W254 AromaticContact CD1-CH2 3.7Å; Y249-W254 HydrophobicContact CD1-CH2 3.7Å; Y249-W254 HydrophobicContact CD1-CZ2 4.04Å; Y249-W254 AromaticContact CD1-CZ3 3.61Å; Y249-W254 HydrophobicContact CD1-CZ3 3.61Å; Y249-W254 HydrophobicContact CE1-CH2 4.23Å; Y249-W254 HydrophobicContact CE1-CZ3 4.47Å; Y249-W254 HydrophobicContact CG-CD2 4.26Å; Y249-W254 HydrophobicContact CG-CE3 4.23Å; Y249-W254 HydrophobicContact CG-CZ3 4.44Å; K252-W254 PolarHBondContact O-N 3.3Å
255	S	98.6	Very high	97.9	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	12%	0.121	C	C	.	.			trans	-73.8	170.6	179.9	64	0	0	0	0	113.1	S148 S149 A257 S258 A259	S148-S255 WeakPolarHBondContact OG-CB 3.45Å; S149-S255 WeakPolarHBondContact OG-CB 3.5Å; S255-A257 VanDerWaalsContact C-N 3.27Å; S255-A257 PolarHBondContact O-N 3.39Å; S255-S258 WeakPolarHBondContact O-CA 3.49Å; S255-S258 VanDerWaalsContact O-CB 3.26Å; S255-S258 WeakPolarHBondContact O-CB 3.47Å; S255-S258 PolarHBondContact O-N 2.69Å; S255-S258 PolarHBondContact OG-N 3.34Å; S255-S258 PolarHBondContact OG-OG 2.9Å; S255-A259 PolarHBondContact O-N 3.44Å
256	T	98.8	Very high	97.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-27.2	173.2	58.4	0	0	0	0	112.8	G65 S66 G145 S148 S258 Y260 L261 I577	G65-T256 PolarHBondContact O-OG1 2.87Å; S66-T256 WeakPolarHBondContact CA-OG1 3.43Å; S66-T256 WeakPolarHBondContact O-CG2 3.34Å; G145-T256 WeakPolarHBondContact CA-OG1 3.48Å; S148-T256 PolarHBondContact OG-N 3.01Å; S148-T256 PolarHBondContact OG-OG1 3.38Å; S148-T256 VanDerWaalsContact OG-OG1 3.09Å; T256-S258 PolarHBondContact O-N 3.46Å; T256-Y260 HydrophobicContact CG2-CD2 4.41Å; T256-Y260 WeakPolarHBondContact O-CA 3.32Å; T256-Y260 WeakPolarHBondContact O-CB 3.39Å; T256-Y260 PolarHBondContact O-N 2.97Å; T256-L261 PolarHBondContact O-N 3.22Å; T256-I577 HydrophobicContact CG2-CD1 3.47Å; T256-I577 VanDerWaalsContact CG2-CD1 3.47Å; T256-I577 HydrophobicContact CG2-CG1 3.69Å
257	A	98.6	Very high	98	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-59.6	-40.6	167.1	0	0	0	0	0	111	W144 S255 L261 R262	W144-A257 HydrophobicContact CB-CB 4.05Å; S255-A257 VanDerWaalsContact C-N 3.27Å; S255-A257 PolarHBondContact O-N 3.39Å; A257-L261 PolarHBondContact O-N 3.26Å; A257-R262 WeakPolarHBondContact O-CB 3.44Å; A257-R262 VanDerWaalsContact O-CG 3.29Å; A257-R262 WeakPolarHBondContact O-CG 3.35Å; A257-R262 PolarHBondContact O-N 2.97Å
258	S	98.5	Very high	98	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.021	22%	0.218	C	C	.	.	I	π-helix	trans	-71.3	-48.7	-179.2	-57.8	0	0	0	0	112.6	S255 T256 R262	S255-S258 WeakPolarHBondContact O-CA 3.49Å; S255-S258 VanDerWaalsContact O-CB 3.26Å; S255-S258 WeakPolarHBondContact O-CB 3.47Å; S255-S258 PolarHBondContact O-N 2.69Å; S255-S258 PolarHBondContact OG-N 3.34Å; S255-S258 PolarHBondContact OG-OG 2.9Å; T256-S258 PolarHBondContact O-N 3.46Å; S258-R262 PolarHBondContact OG-NH1 3.36Å; S258-R262 PolarHBondContact OG-NH2 3.24Å
259	A	98.6	Very high	98	Very high	6 Å²	6	40.1 Å²	40.1	5%	0.05	22%	0.221	C	C	.	.	I	π-helix	trans	-75.7	-44.7	-175.2	0	0	0	0	0	113	P202 L203 S255	P202-A259 HydrophobicContact CB-CB 4.41Å; P202-A259 WeakPolarHBondContact CB-O 3.44Å; P202-A259 VanDerWaalsContact O-CB 3.25Å; P202-A259 WeakPolarHBondContact O-CB 3.37Å; L203-A259 HydrophobicContact CB-CB 4.49Å; L203-A259 HydrophobicContact CD1-CB 4.05Å; S255-A259 PolarHBondContact O-N 3.44Å
260	Y	98.9	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-108.9	-46.7	-169	-69.8	-91.1	0	0	0	113.1	C69 V70 N73 A186 P202 L203 T256 V264 I577 E581	C69-Y260 WeakPolarHBondContact O-CB 3.47Å; V70-Y260 HydrophobicContact CB-CD1 4.22Å; V70-Y260 HydrophobicContact CB-CE1 4.33Å; V70-Y260 HydrophobicContact CB-CG 4.43Å; V70-Y260 HydrophobicContact CG1-CD1 4.23Å; V70-Y260 HydrophobicContact CG1-CE1 3.98Å; V70-Y260 HydrophobicContact CG2-CD1 3.97Å; V70-Y260 HydrophobicContact CG2-CD2 3.76Å; V70-Y260 HydrophobicContact CG2-CE1 3.94Å; V70-Y260 HydrophobicContact CG2-CE2 3.75Å; V70-Y260 HydrophobicContact CG2-CG 3.87Å; N73-Y260 HydrophobicContact CB-CD1 4.06Å; N73-Y260 PolarHBondContact ND2-O 2.87Å; A186-Y260 WeakPolarHBondContact CA-OH 3.45Å; A186-Y260 WeakPolarHBondContact CB-OH 3.27Å; P202-Y260 HydrophobicContact CB-CE1 4.35Å; P202-Y260 HydrophobicContact CG-CD1 3.8Å; P202-Y260 HydrophobicContact CG-CD2 4.38Å; P202-Y260 HydrophobicContact CG-CE1 3.21Å; P202-Y260 HydrophobicContact CG-CE2 3.86Å; P202-Y260 HydrophobicContact CG-CG 4.35Å; P202-Y260 WeakPolarHBondContact CG-OH 3.3Å; L203-Y260 HydrophobicContact CB-CE2 4.37Å; T256-Y260 HydrophobicContact CG2-CD2 4.41Å; T256-Y260 WeakPolarHBondContact O-CA 3.32Å; T256-Y260 WeakPolarHBondContact O-CB 3.39Å; T256-Y260 PolarHBondContact O-N 2.97Å; Y260-V264 WeakPolarHBondContact O-CG2 3.3Å; Y260-I577 HydrophobicContact CE2-CG2 4.16Å; Y260-E581 VanDerWaalsContact CE1-OE1 3.23Å; Y260-E581 WeakPolarHBondContact CE1-OE1 3.42Å; Y260-E581 PolarHBondContact OH-OE1 3.28Å
261	L	98.7	Very high	98.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.203	C	C	.	.	I	π-helix	trans	-79.8	-55.5	-169.7	-175.9	59.4	0	0	0	113.1	C69 A72 L85 W144 T256 A257 P263 V264 L265 L270 T272	C69-L261 HydrophobicContact CB-CB 4.15Å; A72-L261 HydrophobicContact CB-CD1 4.46Å; L85-L261 HydrophobicContact CD2-CD1 3.71Å; L85-L261 HydrophobicContact CD2-CD2 3.99Å; W144-L261 HydrophobicContact CB-CD2 4.49Å; W144-L261 HydrophobicContact CD2-CD2 3.78Å; W144-L261 HydrophobicContact CE3-CD2 4.08Å; W144-L261 HydrophobicContact CG-CD2 4Å; T256-L261 PolarHBondContact O-N 3.22Å; A257-L261 PolarHBondContact O-N 3.26Å; L261-P263 VanDerWaalsContact C-CD 3.45Å; L261-V264 WeakPolarHBondContact O-CG2 3.33Å; L261-V264 PolarHBondContact O-N 3.36Å; L261-L265 HydrophobicContact CD1-CD2 4.04Å; L261-L265 HydrophobicContact CG-CD2 4.08Å; L261-L265 PolarHBondContact O-N 3.11Å; L261-L270 HydrophobicContact CD1-CD2 4.12Å; L261-T272 HydrophobicContact CD1-CG2 4.13Å
262	R	97.9	Very high	98.3	Very high	50 Å²	50	37.3 Å²	37.3	19%	0.189	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-55.7	-40.5	-174.5	-71	-173.1	-47.4	-145.9	7.5	113.8	D92 H105 A257 S258 V264 L265	D92-R262 IonicContact OD2-CZ 3.24Å; D92-R262 IonicContact OD2-NH1 3.69Å; D92-R262 PolarHBondContact OD2-NH1 2.81Å; H105-R262 PolarHBondContact CE1-NH1 2.74Å; A257-R262 WeakPolarHBondContact O-CB 3.44Å; A257-R262 VanDerWaalsContact O-CG 3.29Å; A257-R262 WeakPolarHBondContact O-CG 3.35Å; A257-R262 PolarHBondContact O-N 2.97Å; S258-R262 PolarHBondContact OG-NH1 3.36Å; S258-R262 PolarHBondContact OG-NH2 3.24Å; R262-V264 PolarHBondContact O-N 2.71Å; R262-L265 HydrophobicContact CG-CD1 4.37Å
263	P	98	Very high	98.4	Very high	84 Å²	84	37.4 Å²	37.4	55%	0.545	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-63	-19.6	179	-25.6	37	0	0	0	114.8	L261	L261-P263 VanDerWaalsContact C-CD 3.45Å
264	V	98.3	Very high	98.3	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.03	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-113.3	3.8	-172.7	-56.2	0	0	0	0	114	N73 Y260 L261 R262 T266 R267 L270	N73-V264 HydrophobicContact CB-CG2 4.33Å; N73-V264 WeakPolarHBondContact ND2-CG1 3.43Å; Y260-V264 WeakPolarHBondContact O-CG2 3.3Å; L261-V264 WeakPolarHBondContact O-CG2 3.33Å; L261-V264 PolarHBondContact O-N 3.36Å; R262-V264 PolarHBondContact O-N 2.71Å; V264-T266 PolarHBondContact O-N 2.75Å; V264-T266 VanDerWaalsContact O-N 3.07Å; V264-R267 HydrophobicContact CB-CG 4.2Å; V264-R267 WeakPolarHBondContact O-CB 3.05Å; V264-R267 WeakPolarHBondContact O-CG 3.49Å; V264-R267 PolarHBondContact O-N 2.96Å; V264-L270 HydrophobicContact CG2-CD2 3.72Å
265	L	97.8	Very high	98.3	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.356	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.7	179.6	-70.4	176.2	0	0	0	114.1	W144 L261 R262 T272	W144-L265 HydrophobicContact CH2-CD1 4.14Å; W144-L265 HydrophobicContact CH2-CD2 4.04Å; W144-L265 HydrophobicContact CZ3-CD1 3.93Å; W144-L265 HydrophobicContact CZ3-CD2 4.45Å; L261-L265 HydrophobicContact CD1-CD2 4.04Å; L261-L265 HydrophobicContact CG-CD2 4.08Å; L261-L265 PolarHBondContact O-N 3.11Å; R262-L265 HydrophobicContact CG-CD1 4.37Å; L265-T272 HydrophobicContact CD2-CG2 3.79Å
266	T	97.6	Very high	98.2	Very high	137 Å²	137	42.6 Å²	42.6	84%	0.84	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.2	177.2	53.5	0	0	0	0	113.3	V264 A268	V264-T266 PolarHBondContact O-N 2.75Å; V264-T266 VanDerWaalsContact O-N 3.07Å; T266-A268 PolarHBondContact O-N 3.24Å
267	R	98.5	Very high	98.2	Very high	77 Å²	77	44.4 Å²	44.4	29%	0.291	24%	0.244	S	C	.	.			trans	-70.2	129.1	178.6	-65.8	-174.2	-178.1	162.2	-4.7	110.4	N73 T76 V264 N269 L270	N73-R267 PolarHBondContact O-NH1 3.34Å; T76-R267 PolarHBondContact O-NH1 3.2Å; T76-R267 PolarHBondContact OG1-NH1 3.33Å; V264-R267 HydrophobicContact CB-CG 4.2Å; V264-R267 WeakPolarHBondContact O-CB 3.05Å; V264-R267 WeakPolarHBondContact O-CG 3.49Å; V264-R267 PolarHBondContact O-N 2.96Å; R267-N269 WeakPolarHBondContact CB-OD1 3.34Å; R267-N269 PolarHBondContact O-N 3Å; R267-L270 HydrophobicContact CB-CB 4.42Å; R267-L270 PolarHBondContact O-N 3.2Å
268	A	98.1	Very high	98.2	Very high	114 Å²	114	45.2 Å²	45.2	94%	0.942	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.6	-175.8	0	0	0	0	0	114	T266	T266-A268 PolarHBondContact O-N 3.24Å
269	N	98.5	Very high	98.2	Very high	25 Å²	25	45.5 Å²	45.5	13%	0.134	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.1	179.2	64.6	-38	0	0	0	113.8	T76 D78 E81 S82 V83 R267	T76-N269 WeakPolarHBondContact CA-ND2 3.39Å; T76-N269 PolarHBondContact O-ND2 3.41Å; D78-N269 PolarHBondContact O-ND2 3.09Å; E81-N269 WeakPolarHBondContact O-CB 3.49Å; E81-N269 PolarHBondContact O-ND2 3.47Å; S82-N269 WeakPolarHBondContact CA-O 2.92Å; V83-N269 PolarHBondContact N-O 3.28Å; R267-N269 WeakPolarHBondContact CB-OD1 3.34Å; R267-N269 PolarHBondContact O-N 3Å
270	L	98.8	Very high	98.2	Very high	18 Å²	18	50.7 Å²	50.7	9%	0.094	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.9	173	-178.2	57.1	0	0	0	110.7	A72 T76 V83 L261 V264 R267 T272	A72-L270 HydrophobicContact CB-CD1 4.09Å; T76-L270 HydrophobicContact CG2-CB 3.96Å; T76-L270 HydrophobicContact CG2-CD1 4.08Å; T76-L270 HydrophobicContact CG2-CG 4.49Å; V83-L270 HydrophobicContact CB-CD1 4.14Å; V83-L270 HydrophobicContact CG1-CD1 4.04Å; L261-L270 HydrophobicContact CD1-CD2 4.12Å; V264-L270 HydrophobicContact CG2-CD2 3.72Å; R267-L270 HydrophobicContact CB-CB 4.42Å; R267-L270 PolarHBondContact O-N 3.2Å; L270-T272 HydrophobicContact CD1-CG2 4.33Å; L270-T272 HydrophobicContact CD2-CG2 4.32Å; L270-T272 HydrophobicContact CG-CG2 4.12Å
271	R	98.6	Very high	98.2	Very high	92 Å²	92	50.8 Å²	50.8	35%	0.347	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137	165.5	-172.6	173.9	178.2	167.5	-5.4	110	Q55 F57 V83 L84 L85 E273	Q55-R271 VanDerWaalsContact CD-NH1 3.35Å; Q55-R271 VanDerWaalsContact OE1-NH1 3.09Å; F57-R271 HydrophobicContact CE1-CB 3.85Å; F57-R271 HydrophobicContact CZ-CB 4.1Å; F57-R271 HydrophobicContact CZ-CG 4.46Å; V83-R271 PolarHBondContact O-N 3.2Å; L84-R271 CarbonylContact C-O 3.51Å; L84-R271 WeakPolarHBondContact CA-O 3.46Å; L84-R271 HydrophobicContact CD1-CB 3.93Å; L84-R271 HydrophobicContact CD1-CG 3.77Å; L85-R271 PolarHBondContact N-O 2.81Å; R271-E273 IonicContact CZ-OE1 3.48Å; R271-E273 VanDerWaalsContact CZ-OE1 3.25Å; R271-E273 IonicContact NE-OE1 3.66Å; R271-E273 PolarHBondContact NE-OE1 3.08Å; R271-E273 IonicContact NH2-OE1 3.13Å; R271-E273 PolarHBondContact NH2-OE1 3.23Å
272	T	98.4	Very high	98.2	Very high	33 Å²	33	52.2 Å²	52.2	20%	0.202	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.4	175.6	64.8	0	0	0	0	110.2	L85 W144 L261 L265 L270	L85-T272 HydrophobicContact CB-CG2 4.33Å; L85-T272 HydrophobicContact CD2-CG2 4.43Å; L85-T272 CarbonylContact O-C 3.2Å; L85-T272 WeakPolarHBondContact O-CA 3.43Å; W144-T272 HydrophobicContact CZ2-CG2 4.43Å; L261-T272 HydrophobicContact CD1-CG2 4.13Å; L265-T272 HydrophobicContact CD2-CG2 3.79Å; L270-T272 HydrophobicContact CD1-CG2 4.33Å; L270-T272 HydrophobicContact CD2-CG2 4.32Å; L270-T272 HydrophobicContact CG-CG2 4.12Å
273	E	98.2	Very high	98.2	Very high	35 Å²	35	52.1 Å²	52.1	16%	0.164	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.9	172.3	-63.1	-70.8	162.8	0	0	109.4	L84 L85 L86 E87 R271 Q295	L84-E273 HydrophobicContact CD1-CG 3.84Å; L85-E273 PolarHBondContact O-N 3.34Å; L86-E273 HydrophobicContact CD2-CB 3.79Å; L86-E273 HydrophobicContact CD2-CG 4.2Å; E87-E273 PolarHBondContact N-O 3Å; R271-E273 IonicContact CZ-OE1 3.48Å; R271-E273 VanDerWaalsContact CZ-OE1 3.25Å; R271-E273 IonicContact NE-OE1 3.66Å; R271-E273 PolarHBondContact NE-OE1 3.08Å; R271-E273 IonicContact NH2-OE1 3.13Å; R271-E273 PolarHBondContact NH2-OE1 3.23Å; E273-Q295 PolarHBondContact OE2-NE2 3.11Å
274	V	97.9	Very high	98.2	Very high	26 Å²	26	54 Å²	54	16%	0.158	28%	0.284	C	S	.	.			trans	-127.9	165.3	179.5	-69.5	0	0	0	0	110.1	E87 G89 K91 W144 C276 Q295	E87-V274 HydrophobicContact CB-CG1 4.49Å; E87-V274 CarbonylContact O-C 3.31Å; E87-V274 WeakPolarHBondContact O-CA 3.4Å; G89-V274 WeakPolarHBondContact O-CB 3.14Å; K91-V274 HydrophobicContact CG-CG1 3.86Å; K91-V274 HydrophobicContact CG-CG2 4.37Å; W144-V274 HydrophobicContact CD2-CG1 4.44Å; W144-V274 HydrophobicContact CZ2-CG1 3.84Å; V274-C276 PolarHBondContact O-N 3.06Å; V274-Q295 PolarHBondContact O-NE2 3.37Å; V274-Q295 VanDerWaalsContact O-NE2 3.1Å
275	Q	97.4	Very high	98.1	Very high	121 Å²	121	56.8 Å²	56.8	57%	0.565	31%	0.313	S	S	*	.	S	Bend	trans	53.3	34.9	-176.1	-56.6	179.5	-98.1	0	0	111.4	E87 A88 G89	E87-Q275 PolarHBondContact O-N 3Å; A88-Q275 WeakPolarHBondContact O-CA 3.45Å; G89-Q275 PolarHBondContact O-N 3.23Å
276	C	96.6	Very high	98.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.007	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	103.6	179.7	52.8	0	0	0	0	109.4	E87 A88 V274 T278 Y293 T294 Q295	E87-C276 CarbonylContact C-O 3.6Å; E87-C276 PolarHBondContact N-SG 2.84Å; E87-C276 PolarHBondContact O-N 3.4Å; E87-C276 PolarHBondContact O-SG 3.42Å; A88-C276 WeakPolarHBondContact CA-O 3.34Å; A88-C276 PolarHBondContact N-O 3.31Å; V274-C276 PolarHBondContact O-N 3.06Å; C276-T278 PolarHBondContact O-N 3.44Å; C276-Y293 HydrophobicContact CB-CD2 3.55Å; C276-Y293 HydrophobicContact CB-CE2 3.99Å; C276-Y293 HydrophobicContact CB-CG 4.38Å; C276-T294 CarbonylContact C-O 3.55Å; C276-T294 WeakPolarHBondContact CA-O 3.37Å; C276-Q295 HydrophobicContact CB-CB 4.29Å; C276-Q295 HydrophobicContact CB-CG 4.44Å
277	L	98.3	Very high	98.1	Very high	38 Å²	38	58.4 Å²	58.4	20%	0.199	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	108	175.3	178.9	67.5	0	0	0	109	A88 W121 T279 Y293 T294 L459	A88-L277 HydrophobicContact CB-CD1 4.23Å; W121-L277 HydrophobicContact CH2-CD1 3.9Å; L277-T279 PolarHBondContact O-N 3.08Å; L277-Y293 CarbonylContact O-C 3.26Å; L277-Y293 VanDerWaalsContact O-CA 3.23Å; L277-Y293 WeakPolarHBondContact O-CA 3.45Å; L277-Y293 WeakPolarHBondContact O-CB 3.39Å; L277-T294 PolarHBondContact N-O 3.14Å; L277-T294 PolarHBondContact O-N 2.82Å; L277-L459 HydrophobicContact CD2-CD2 3.44Å; L277-L459 VanDerWaalsContact CD2-CD2 3.44Å; L277-L459 HydrophobicContact CD2-CG 4.45Å
278	T	98.7	Very high	98.1	Very high	16 Å²	16	54.7 Å²	54.7	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	125	171.1	-56	0	0	0	0	109.9	V62 C276 V291 E292 L320	V62-T278 HydrophobicContact CG1-CG2 4Å; V62-T278 WeakPolarHBondContact CG1-OG1 3.02Å; V62-T278 HydrophobicContact CG2-CG2 4.09Å; C276-T278 PolarHBondContact O-N 3.44Å; T278-V291 HydrophobicContact CG2-CB 3.89Å; T278-V291 HydrophobicContact CG2-CG1 4.23Å; T278-V291 HydrophobicContact CG2-CG2 4.26Å; T278-E292 WeakPolarHBondContact CA-O 3.47Å; T278-E292 WeakPolarHBondContact CG2-O 3.46Å; T278-L320 HydrophobicContact CG2-CD1 4.06Å; T278-L320 HydrophobicContact CG2-CD2 3.71Å
279	T	98.4	Very high	98.2	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.055	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-29.7	-172.1	52.3	0	0	0	0	112.9	L277 E292 P458	L277-T279 PolarHBondContact O-N 3.08Å; T279-E292 PolarHBondContact N-O 3.11Å; T279-E292 WeakPolarHBondContact OG1-CG 3.49Å; T279-E292 PolarHBondContact OG1-O 2.85Å; T279-E292 PolarHBondContact OG1-OE1 3.42Å; T279-E292 VanDerWaalsContact OG1-OE1 3.08Å; T279-P458 HydrophobicContact CG2-CB 3.94Å; T279-P458 HydrophobicContact CG2-CG 3.63Å
280	R	98	Very high	98.2	Very high	115 Å²	115	49.6 Å²	49.6	43%	0.434	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	149.6	-176.9	-177.7	172.2	-73.3	167.9	-1.7	112.1	V291 E292 L323	R280-V291 CarbonylContact O-C 3.43Å; R280-V291 WeakPolarHBondContact O-CA 3.4Å; R280-E292 PolarHBondContact N-O 3.23Å; R280-E292 PolarHBondContact O-N 2.64Å; R280-L323 PolarHBondContact NE-O 2.8Å
281	I	98.9	Very high	98.2	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134.9	166.2	-60	155	0	0	0	109.4	F283 A288 V291 L310 L320 L321 S324 L556	I281-F283 HydrophobicContact CB-CE2 3.87Å; I281-F283 HydrophobicContact CB-CZ 4.2Å; I281-F283 HydrophobicContact CG2-CD2 4.23Å; I281-F283 HydrophobicContact CG2-CE1 4.22Å; I281-F283 HydrophobicContact CG2-CE2 3.72Å; I281-F283 HydrophobicContact CG2-CZ 3.7Å; I281-A288 HydrophobicContact CG2-CB 3.77Å; I281-V291 HydrophobicContact CG1-CG1 4.45Å; I281-L310 HydrophobicContact CD1-CD1 4.11Å; I281-L310 HydrophobicContact CD1-CD2 4.27Å; I281-L320 HydrophobicContact CD1-CG 4.35Å; I281-L320 HydrophobicContact CG1-CD2 4.47Å; I281-L320 HydrophobicContact CG1-CG 4.29Å; I281-L321 HydrophobicContact CD1-CD2 4.06Å; I281-S324 PolarHBondContact N-OG 2.87Å; I281-L556 HydrophobicContact CD1-CD1 3.96Å; I281-L556 HydrophobicContact CD1-CD2 4.12Å
282	L	98.7	Very high	98.2	Very high	29 Å²	29	46 Å²	46	15%	0.152	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	130.5	177.2	-54.8	176.7	0	0	0	109.4	A288 V289 G290 E292 Q301 F303	L282-A288 WeakPolarHBondContact O-CA 3.42Å; L282-V289 HydrophobicContact CB-CG2 4.12Å; L282-V289 WeakPolarHBondContact O-CG2 3.42Å; L282-V289 PolarHBondContact O-N 3.39Å; L282-G290 PolarHBondContact N-O 3.29Å; L282-E292 HydrophobicContact CD2-CB 4.32Å; L282-Q301 HydrophobicContact CD1-CB 4.12Å; L282-Q301 HydrophobicContact CD1-CG 4.04Å; L282-F303 HydrophobicContact CD1-CE1 4.24Å
283	F	98.8	Very high	98.2	Very high	49 Å²	49	44.8 Å²	44.8	22%	0.215	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141	-179.3	-70.5	-82.2	0	0	0	111.9	I281 R287 A288 V326 V340 L553 L556	I281-F283 HydrophobicContact CB-CE2 3.87Å; I281-F283 HydrophobicContact CB-CZ 4.2Å; I281-F283 HydrophobicContact CG2-CD2 4.23Å; I281-F283 HydrophobicContact CG2-CE1 4.22Å; I281-F283 HydrophobicContact CG2-CE2 3.72Å; I281-F283 HydrophobicContact CG2-CZ 3.7Å; F283-R287 CarbonylContact C-O 3.57Å; F283-R287 VanDerWaalsContact CA-O 3.32Å; F283-R287 WeakPolarHBondContact CA-O 3.26Å; F283-A288 HydrophobicContact CD1-CB 4.19Å; F283-A288 HydrophobicContact CE1-CB 3.87Å; F283-V326 HydrophobicContact CE2-CG2 4.19Å; F283-V326 HydrophobicContact CZ-CG2 3.84Å; F283-V340 HydrophobicContact CD1-CG1 4.1Å; F283-V340 HydrophobicContact CD2-CG1 4.06Å; F283-V340 HydrophobicContact CD2-CG2 4.06Å; F283-V340 HydrophobicContact CE1-CG1 4.26Å; F283-V340 HydrophobicContact CE2-CG1 4.2Å; F283-V340 HydrophobicContact CE2-CG2 4.39Å; F283-V340 HydrophobicContact CG-CG1 4.01Å; F283-V340 HydrophobicContact CZ-CG1 4.31Å; F283-L553 HydrophobicContact CE1-CD1 3.95Å; F283-L553 HydrophobicContact CE1-CD2 4.04Å; F283-L553 HydrophobicContact CZ-CD1 4.08Å; F283-L556 HydrophobicContact CE1-CD2 4.4Å; F283-L556 HydrophobicContact CZ-CD2 4.15Å
284	D	97.8	Very high	98.2	Very high	124 Å²	124	45.1 Å²	45.1	66%	0.663	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113	104.9	160.1	-176.8	11.1	0	0	0	107.9	R286 R287 V289	D284-R286 PolarHBondContact O-N 3.49Å; D284-R286 VanDerWaalsContact O-N 3.09Å; D284-R287 PolarHBondContact N-O 3.47Å; D284-R287 PolarHBondContact O-N 2.98Å; D284-V289 HydrophobicContact CB-CG1 3.76Å; D284-V289 HydrophobicContact CB-CG2 4.48Å
285	G	96.4	Very high	98.1	Very high	63 Å²	63	44.8 Å²	44.8	65%	0.649	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	-113.7	-167.2	0	0	0	0	0	111.8
286	R	97.1	Very high	97.9	Very high	158 Å²	158	45.4 Å²	45.4	60%	0.596	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	3.3	177.7	-70.3	-171.2	173.8	176.9	-1.1	114.2	D284 L553 E554	D284-R286 PolarHBondContact O-N 3.49Å; D284-R286 VanDerWaalsContact O-N 3.09Å; R286-L553 HydrophobicContact CB-CD2 4.24Å; R286-L553 WeakPolarHBondContact O-CA 3.3Å; R286-L553 WeakPolarHBondContact O-CD2 3.45Å; R286-E554 PolarHBondContact O-N 2.93Å
287	R	98.6	Very high	97.7	Very high	80 Å²	80	48.8 Å²	48.8	30%	0.302	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125.3	179.7	-177.6	173.8	176.6	71.7	8.8	110.4	F283 D284 V289 E305 K306 E554	F283-R287 CarbonylContact C-O 3.57Å; F283-R287 VanDerWaalsContact CA-O 3.32Å; F283-R287 WeakPolarHBondContact CA-O 3.26Å; D284-R287 PolarHBondContact N-O 3.47Å; D284-R287 PolarHBondContact O-N 2.98Å; R287-V289 HydrophobicContact CG-CG1 4.16Å; R287-V289 PolarHBondContact O-N 2.92Å; R287-E305 PolarHBondContact NH2-O 3.22Å; R287-K306 PolarHBondContact NH2-O 3.22Å; R287-E554 CarbonylContact C-O 3.55Å; R287-E554 WeakPolarHBondContact CA-O 3.32Å; R287-E554 HydrophobicContact CB-CB 4.14Å; R287-E554 HydrophobicContact CG-CB 4.23Å
288	A	98.8	Very high	97.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123	166.5	0	0	0	0	0	109.1	I281 L282 F283 V308 E554 L556	I281-A288 HydrophobicContact CG2-CB 3.77Å; L282-A288 WeakPolarHBondContact O-CA 3.42Å; F283-A288 HydrophobicContact CD1-CB 4.19Å; F283-A288 HydrophobicContact CE1-CB 3.87Å; A288-V308 HydrophobicContact CB-CB 4.47Å; A288-V308 HydrophobicContact CB-CG2 4.37Å; A288-E554 PolarHBondContact N-O 3.25Å; A288-L556 HydrophobicContact CB-CB 3.86Å; A288-L556 HydrophobicContact CB-CD1 4.29Å; A288-L556 HydrophobicContact CB-CG 4.48Å
289	V	98.6	Very high	97.5	Very high	32 Å²	32	59.2 Å²	59.2	19%	0.194	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-5.6	-174.8	-64	0	0	0	0	113.1	L282 D284 R287 F303 A304	L282-V289 HydrophobicContact CB-CG2 4.12Å; L282-V289 WeakPolarHBondContact O-CG2 3.42Å; L282-V289 PolarHBondContact O-N 3.39Å; D284-V289 HydrophobicContact CB-CG1 3.76Å; D284-V289 HydrophobicContact CB-CG2 4.48Å; R287-V289 HydrophobicContact CG-CG1 4.16Å; R287-V289 PolarHBondContact O-N 2.92Å; V289-F303 HydrophobicContact CG2-CD1 4.41Å; V289-F303 CarbonylContact O-C 3.57Å; V289-F303 VanDerWaalsContact O-CA 3.24Å; V289-F303 WeakPolarHBondContact O-CA 3.43Å; V289-F303 WeakPolarHBondContact O-CB 3.37Å; V289-F303 WeakPolarHBondContact O-CD1 3.35Å; V289-A304 PolarHBondContact O-N 3.07Å
290	G	98.6	Very high	97.5	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-168.1	-177.3	0	0	0	0	0	113.2	L282 V302	L282-G290 PolarHBondContact N-O 3.29Å; G290-V302 CarbonylContact C-O 3.58Å; G290-V302 WeakPolarHBondContact CA-O 3.25Å
291	V	98.8	Very high	97.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.3	177.3	-58.8	0	0	0	0	111.8	V60 V62 L86 T278 R280 I281 Q301 V302 V308	V60-V291 HydrophobicContact CG1-CG2 3.85Å; V62-V291 HydrophobicContact CG2-CG1 4.05Å; L86-V291 HydrophobicContact CD1-CG2 3.68Å; T278-V291 HydrophobicContact CG2-CB 3.89Å; T278-V291 HydrophobicContact CG2-CG1 4.23Å; T278-V291 HydrophobicContact CG2-CG2 4.26Å; R280-V291 CarbonylContact O-C 3.43Å; R280-V291 WeakPolarHBondContact O-CA 3.4Å; I281-V291 HydrophobicContact CG1-CG1 4.45Å; V291-Q301 WeakPolarHBondContact O-CA 3.15Å; V291-V302 HydrophobicContact CG2-CG1 3.63Å; V291-V302 PolarHBondContact N-O 3.18Å; V291-V302 PolarHBondContact O-N 3.42Å; V291-V302 VanDerWaalsContact O-N 3.08Å; V291-V308 HydrophobicContact CG1-CG1 3.67Å; V291-V308 HydrophobicContact CG1-CG2 4.26Å
292	E	98.6	Very high	97.4	Very high	33 Å²	33	61.2 Å²	61.2	15%	0.154	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	139.3	163	-175.3	-178	99.3	0	0	109.3	T278 T279 R280 L282 K299 K300 Q301	T278-E292 WeakPolarHBondContact CA-O 3.47Å; T278-E292 WeakPolarHBondContact CG2-O 3.46Å; T279-E292 PolarHBondContact N-O 3.11Å; T279-E292 WeakPolarHBondContact OG1-CG 3.49Å; T279-E292 PolarHBondContact OG1-O 2.85Å; T279-E292 PolarHBondContact OG1-OE1 3.42Å; T279-E292 VanDerWaalsContact OG1-OE1 3.08Å; R280-E292 PolarHBondContact N-O 3.23Å; R280-E292 PolarHBondContact O-N 2.64Å; L282-E292 HydrophobicContact CD2-CB 4.32Å; E292-K299 IonicContact OE1-NZ 2.7Å; E292-K299 PolarHBondContact OE1-NZ 2.97Å; E292-K300 CarbonylContact C-O 3.58Å; E292-K300 WeakPolarHBondContact CA-O 3.29Å; E292-Q301 HydrophobicContact CB-CG 4.36Å; E292-Q301 HydrophobicContact CG-CG 4.38Å
293	Y	98.4	Very high	97.4	Very high	8 Å²	8	63 Å²	63	3%	0.031	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.2	173.9	66.5	-84.8	0	0	0	111.9	L86 C276 L277 Q295 K300 V302	L86-Y293 HydrophobicContact CD1-CD1 4.12Å; L86-Y293 HydrophobicContact CD1-CG 4.42Å; C276-Y293 HydrophobicContact CB-CD2 3.55Å; C276-Y293 HydrophobicContact CB-CE2 3.99Å; C276-Y293 HydrophobicContact CB-CG 4.38Å; L277-Y293 CarbonylContact O-C 3.26Å; L277-Y293 VanDerWaalsContact O-CA 3.23Å; L277-Y293 WeakPolarHBondContact O-CA 3.45Å; L277-Y293 WeakPolarHBondContact O-CB 3.39Å; Y293-Q295 HydrophobicContact CD2-CB 4.1Å; Y293-Q295 HydrophobicContact CE2-CB 3.97Å; Y293-K300 HydrophobicContact CD1-CB 4.27Å; Y293-K300 HydrophobicContact CD2-CB 4.32Å; Y293-K300 HydrophobicContact CE1-CB 3.76Å; Y293-K300 HydrophobicContact CE2-CB 3.86Å; Y293-K300 HydrophobicContact CE2-CD 3.88Å; Y293-K300 HydrophobicContact CE2-CG 4.37Å; Y293-K300 PolarHBondContact N-O 2.92Å; Y293-K300 PolarHBondContact O-N 3.32Å; Y293-V302 HydrophobicContact CD1-CG1 4.36Å; Y293-V302 HydrophobicContact CE1-CB 4.32Å; Y293-V302 HydrophobicContact CE1-CG1 4.02Å
294	T	97.9	Very high	97.4	Very high	43 Å²	43	61 Å²	61	26%	0.264	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.2	172.5	-56.1	0	0	0	0	109.9	C276 L277 E298	C276-T294 CarbonylContact C-O 3.55Å; C276-T294 WeakPolarHBondContact CA-O 3.37Å; L277-T294 PolarHBondContact N-O 3.14Å; L277-T294 PolarHBondContact O-N 2.82Å; T294-E298 CarbonylContact C-O 3.55Å; T294-E298 WeakPolarHBondContact CA-O 3.15Å
295	Q	96.6	Very high	97.4	Very high	18 Å²	18	60 Å²	60	8%	0.084	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	130.1	174.2	-172.5	-173.2	50.2	0	0	108.8	E273 V274 C276 Y293 G297 E298	E273-Q295 PolarHBondContact OE2-NE2 3.11Å; V274-Q295 PolarHBondContact O-NE2 3.37Å; V274-Q295 VanDerWaalsContact O-NE2 3.1Å; C276-Q295 HydrophobicContact CB-CB 4.29Å; C276-Q295 HydrophobicContact CB-CG 4.44Å; Y293-Q295 HydrophobicContact CD2-CB 4.1Å; Y293-Q295 HydrophobicContact CE2-CB 3.97Å; Q295-G297 PolarHBondContact O-N 2.89Å; Q295-E298 PolarHBondContact N-O 3.05Å; Q295-E298 PolarHBondContact O-N 3.11Å
296	N	93.6	Very high	97.5	Very high	134 Å²	134	60.8 Å²	60.8	72%	0.717	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	32.3	-175.8	-55.4	-30.9	0	0	0	113.9	E298	N296-E298 PolarHBondContact O-N 3.47Å
297	G	92.8	Very high	97.6	Very high	73 Å²	73	54.7 Å²	54.7	75%	0.753	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-3.7	-178	0	0	0	0	0	114.9	Q295	Q295-G297 PolarHBondContact O-N 2.89Å
298	E	96.1	Very high	97.6	Very high	123 Å²	123	50.9 Å²	50.9	58%	0.575	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.7	178.3	-63.7	-179.7	166.9	0	0	111.1	T294 Q295 N296	T294-E298 CarbonylContact C-O 3.55Å; T294-E298 WeakPolarHBondContact CA-O 3.15Å; Q295-E298 PolarHBondContact N-O 3.05Å; Q295-E298 PolarHBondContact O-N 3.11Å; N296-E298 PolarHBondContact O-N 3.47Å
299	K	96.6	Very high	97.6	Very high	150 Å²	150	50.9 Å²	50.9	65%	0.652	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	131.9	169.5	-69.2	-171.2	172.5	-154.8	0	110.3	E292	E292-K299 IonicContact OE1-NZ 2.7Å; E292-K299 PolarHBondContact OE1-NZ 2.97Å
300	K	97.1	Very high	97.6	Very high	64 Å²	64	49.4 Å²	49.4	28%	0.278	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	155.7	179.2	-61.9	-178.2	-174.2	178.3	0	109.5	E292 Y293	E292-K300 CarbonylContact C-O 3.58Å; E292-K300 WeakPolarHBondContact CA-O 3.29Å; Y293-K300 HydrophobicContact CD1-CB 4.27Å; Y293-K300 HydrophobicContact CD2-CB 4.32Å; Y293-K300 HydrophobicContact CE1-CB 3.76Å; Y293-K300 HydrophobicContact CE2-CB 3.86Å; Y293-K300 HydrophobicContact CE2-CD 3.88Å; Y293-K300 HydrophobicContact CE2-CG 4.37Å; Y293-K300 PolarHBondContact N-O 2.92Å; Y293-K300 PolarHBondContact O-N 3.32Å
301	Q	98	Very high	97.6	Very high	105 Å²	105	49.7 Å²	49.7	49%	0.491	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.7	175.8	-66.5	-179.7	-11.6	0	0	109.3	L282 V291 E292	L282-Q301 HydrophobicContact CD1-CB 4.12Å; L282-Q301 HydrophobicContact CD1-CG 4.04Å; V291-Q301 WeakPolarHBondContact O-CA 3.15Å; E292-Q301 HydrophobicContact CB-CG 4.36Å; E292-Q301 HydrophobicContact CG-CG 4.38Å
302	V	98.4	Very high	97.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.5	174.2	64.6	0	0	0	0	109.4	Q55 F57 V60 L84 L86 G290 V291 Y293	Q55-V302 HydrophobicContact CB-CG2 4.23Å; Q55-V302 WeakPolarHBondContact O-CG2 3.49Å; F57-V302 HydrophobicContact CD2-CG2 3.7Å; F57-V302 HydrophobicContact CE2-CG2 3.86Å; V60-V302 HydrophobicContact CG1-CG1 4.12Å; V60-V302 HydrophobicContact CG2-CG1 4.26Å; V60-V302 HydrophobicContact CG2-CG2 4.38Å; L84-V302 HydrophobicContact CD2-CB 4.09Å; L84-V302 HydrophobicContact CD2-CG1 3.77Å; L84-V302 HydrophobicContact CD2-CG2 3.58Å; L86-V302 HydrophobicContact CD1-CG1 4.49Å; G290-V302 CarbonylContact C-O 3.58Å; G290-V302 WeakPolarHBondContact CA-O 3.25Å; V291-V302 HydrophobicContact CG2-CG1 3.63Å; V291-V302 PolarHBondContact N-O 3.18Å; V291-V302 PolarHBondContact O-N 3.42Å; V291-V302 VanDerWaalsContact O-N 3.08Å; Y293-V302 HydrophobicContact CD1-CG1 4.36Å; Y293-V302 HydrophobicContact CE1-CB 4.32Å; Y293-V302 HydrophobicContact CE1-CG1 4.02Å
303	F	98.6	Very high	97.6	Very high	66 Å²	66	50.2 Å²	50.2	29%	0.289	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.3	-175	-63.3	-86.5	0	0	0	111.9	T54 Q55 S56 F57 L282 V289	T54-F303 HydrophobicContact CG2-CD2 4.24Å; T54-F303 HydrophobicContact CG2-CE2 3.76Å; Q55-F303 PolarHBondContact O-N 3.5Å; S56-F303 WeakPolarHBondContact CA-O 3.16Å; F57-F303 PolarHBondContact N-O 3.24Å; L282-F303 HydrophobicContact CD1-CE1 4.24Å; V289-F303 HydrophobicContact CG2-CD1 4.41Å; V289-F303 CarbonylContact O-C 3.57Å; V289-F303 VanDerWaalsContact O-CA 3.24Å; V289-F303 WeakPolarHBondContact O-CA 3.43Å; V289-F303 WeakPolarHBondContact O-CB 3.37Å; V289-F303 WeakPolarHBondContact O-CD1 3.35Å
304	A	98.4	Very high	97.6	Very high	7 Å²	7	50.1 Å²	50.1	6%	0.058	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.6	174.1	0	0	0	0	0	109.5	F57 V60 V289 E307 V308	F57-A304 CarbonylContact O-C 3.43Å; F57-A304 VanDerWaalsContact O-CA 3.32Å; F57-A304 WeakPolarHBondContact O-CA 3.08Å; V60-A304 HydrophobicContact CB-CB 4.32Å; V60-A304 HydrophobicContact CG2-CB 3.92Å; V289-A304 PolarHBondContact O-N 3.07Å; A304-E307 WeakPolarHBondContact CB-O 3.4Å; A304-V308 HydrophobicContact CB-CG2 3.79Å
305	E	98.1	Very high	97.7	Very high	103 Å²	103	48.3 Å²	48.3	48%	0.481	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-38	179.1	-62.1	174.5	-176.3	0	0	110.8	S56 F57 N58 R287	S56-E305 WeakPolarHBondContact CB-OE1 3.29Å; S56-E305 PolarHBondContact OG-OE1 3.05Å; F57-E305 PolarHBondContact O-N 3.13Å; N58-E305 PolarHBondContact ND2-OE2 3.48Å; R287-E305 PolarHBondContact NH2-O 3.22Å
306	K	98.4	Very high	97.8	Very high	79 Å²	79	49 Å²	49	34%	0.343	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-68.2	178.5	-58	-174.6	178.9	177.6	0	111.3	N58 Y59 E81 R287	N58-K306 HydrophobicContact CB-CD 4.11Å; N58-K306 HydrophobicContact CB-CG 4.2Å; N58-K306 WeakPolarHBondContact O-CA 3.41Å; N58-K306 VanDerWaalsContact O-CB 3.28Å; N58-K306 WeakPolarHBondContact O-CB 3.16Å; N58-K306 PolarHBondContact O-N 3.27Å; Y59-K306 HydrophobicContact CD1-CB 4.4Å; Y59-K306 HydrophobicContact CE1-CB 3.96Å; Y59-K306 HydrophobicContact CE1-CD 4.31Å; Y59-K306 HydrophobicContact CE2-CD 4.32Å; Y59-K306 WeakPolarHBondContact OH-CD 3.21Å; E81-K306 IonicContact OE1-NZ 2.6Å; E81-K306 PolarHBondContact OE1-NZ 2.91Å; E81-K306 WeakPolarHBondContact OE2-CE 3.24Å; E81-K306 IonicContact OE2-NZ 2.82Å; E81-K306 PolarHBondContact OE2-NZ 3.44Å; R287-K306 PolarHBondContact NH2-O 3.22Å
307	E	98.5	Very high	98	Very high	31 Å²	31	42.6 Å²	42.6	15%	0.145	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	145.6	-171.3	-54.9	-175.6	149.2	0	0	113.7	N58 Y59 V60 A304 I309 G555 R557	N58-E307 PolarHBondContact O-N 2.7Å; Y59-E307 WeakPolarHBondContact CA-O 3.49Å; Y59-E307 HydrophobicContact CD1-CB 4.12Å; Y59-E307 HydrophobicContact CE1-CB 4.38Å; Y59-E307 HydrophobicContact CE1-CG 4.46Å; V60-E307 PolarHBondContact N-O 3.44Å; A304-E307 WeakPolarHBondContact CB-O 3.4Å; E307-I309 HydrophobicContact CB-CG1 4.47Å; E307-G555 CarbonylContact C-O 3.46Å; E307-G555 WeakPolarHBondContact CA-O 3.37Å; E307-R557 IonicContact OE1-CZ 3.88Å; E307-R557 VanDerWaalsContact OE1-CZ 3.32Å; E307-R557 IonicContact OE1-NE 3.16Å; E307-R557 PolarHBondContact OE1-NE 3.36Å; E307-R557 IonicContact OE1-NH2 2.78Å; E307-R557 PolarHBondContact OE1-NH2 3.22Å; E307-R557 WeakPolarHBondContact OE2-CD 3.4Å; E307-R557 IonicContact OE2-CZ 3.31Å; E307-R557 IonicContact OE2-NE 2.77Å; E307-R557 PolarHBondContact OE2-NE 2.81Å; E307-R557 IonicContact OE2-NH2 3.72Å
308	V	98.9	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.1	160.8	177.6	0	0	0	0	108.4	V60 V62 A288 V291 A304 L310 G555 L556 R557	V60-V308 WeakPolarHBondContact O-CA 3.5Å; V62-V308 HydrophobicContact CG2-CG1 4.5Å; A288-V308 HydrophobicContact CB-CB 4.47Å; A288-V308 HydrophobicContact CB-CG2 4.37Å; V291-V308 HydrophobicContact CG1-CG1 3.67Å; V291-V308 HydrophobicContact CG1-CG2 4.26Å; A304-V308 HydrophobicContact CB-CG2 3.79Å; V308-L310 HydrophobicContact CG1-CD2 4.15Å; V308-G555 PolarHBondContact N-O 2.8Å; V308-L556 HydrophobicContact CB-CD1 4Å; V308-L556 HydrophobicContact CG1-CD1 3.99Å; V308-L556 WeakPolarHBondContact O-CA 3.16Å; V308-R557 PolarHBondContact O-N 3.05Å
309	I	98.9	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.8	-178.6	-52.8	165.9	0	0	0	109.3	Y59 V60 I61 V62 L71 L75 E307 R557 V559 I587	Y59-I309 HydrophobicContact CD1-CD1 4.01Å; Y59-I309 HydrophobicContact CG-CD1 4.5Å; V60-I309 PolarHBondContact O-N 3.46Å; I61-I309 CarbonylContact C-O 3.52Å; I61-I309 WeakPolarHBondContact CA-O 3.29Å; I61-I309 HydrophobicContact CG1-CB 4.4Å; I61-I309 HydrophobicContact CG1-CD1 4.34Å; V62-I309 PolarHBondContact N-O 3.39Å; L71-I309 HydrophobicContact CD1-CG2 3.72Å; L75-I309 HydrophobicContact CD1-CD1 3.78Å; E307-I309 HydrophobicContact CB-CG1 4.47Å; I309-R557 HydrophobicContact CG1-CB 4.49Å; I309-R557 HydrophobicContact CG2-CB 4.34Å; I309-V559 HydrophobicContact CG2-CB 4.18Å; I309-V559 HydrophobicContact CG2-CG2 3.86Å; I309-I587 HydrophobicContact CD1-CD1 3.8Å
310	L	98.9	Very high	98.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.1	176.3	-54	-168.3	0	0	0	110.8	V62 I281 V308 L320 L321 L556 R557 V558 V559	V62-L310 HydrophobicContact CB-CD2 3.98Å; V62-L310 HydrophobicContact CG2-CD2 3.99Å; I281-L310 HydrophobicContact CD1-CD1 4.11Å; I281-L310 HydrophobicContact CD1-CD2 4.27Å; V308-L310 HydrophobicContact CG1-CD2 4.15Å; L310-L320 HydrophobicContact CD1-CD2 4.48Å; L310-L320 HydrophobicContact CD2-CD2 3.72Å; L310-L321 HydrophobicContact CD1-CD1 4.49Å; L310-L321 HydrophobicContact CD1-CD2 3.7Å; L310-L321 HydrophobicContact CD1-CG 3.73Å; L310-L556 HydrophobicContact CG-CD1 4.24Å; L310-R557 PolarHBondContact N-O 3.2Å; L310-V558 HydrophobicContact CB-CG1 4.37Å; L310-V558 HydrophobicContact CB-CG2 4.29Å; L310-V558 HydrophobicContact CD1-CG2 4.29Å; L310-V559 PolarHBondContact O-N 2.88Å
311	S	98.9	Very high	98.6	Very high	5 Å²	5	24.3 Å²	24.3	4%	0.035	13%	0.128	C	C	.	.			trans	-136.4	35.6	175	-65.7	0	0	0	0	111.1	V62 L71 G313 V559 D560	V62-S311 CarbonylContact O-C 3.56Å; V62-S311 VanDerWaalsContact O-C 3.26Å; V62-S311 WeakPolarHBondContact O-CA 3.39Å; V62-S311 PolarHBondContact O-N 2.86Å; L71-S311 WeakPolarHBondContact CD1-OG 3.22Å; S311-G313 VanDerWaalsContact C-N 3.26Å; S311-G313 PolarHBondContact O-N 3.08Å; S311-V559 WeakPolarHBondContact CB-O 3.22Å; S311-V559 PolarHBondContact OG-O 2.82Å; S311-D560 WeakPolarHBondContact CA-OD2 3.24Å
312	G	98.4	Very high	98.7	Very high	26 Å²	26	19.7 Å²	19.7	27%	0.268	11%	0.106	S	C	.	.	S	Bend	trans	-76.5	-8.1	179.8	0	0	0	0	0	114.3	V62 N316 S317 D560	V62-G312 PolarHBondContact O-N 3.35Å; G312-N316 WeakPolarHBondContact O-CB 3.36Å; G312-S317 WeakPolarHBondContact CA-OG 3.42Å; G312-S317 PolarHBondContact N-OG 2.89Å; G312-D560 PolarHBondContact N-OD2 2.88Å
313	G	98.6	Very high	98.7	Very high	19 Å²	19	20.1 Å²	20.1	20%	0.196	11%	0.109	C	C	.	.	H	α-helix	trans	82	-177.8	-176.9	0	0	0	0	0	113.1	S311 I315 N316 S317 D560	S311-G313 VanDerWaalsContact C-N 3.26Å; S311-G313 PolarHBondContact O-N 3.08Å; G313-I315 PolarHBondContact O-N 3.21Å; G313-N316 PolarHBondContact O-N 3.24Å; G313-S317 PolarHBondContact N-OG 2.75Å; G313-S317 WeakPolarHBondContact O-CB 3.33Å; G313-S317 PolarHBondContact O-N 2.93Å; G313-S317 VanDerWaalsContact O-N 3.11Å; G313-S317 PolarHBondContact O-OG 2.81Å; G313-D560 VanDerWaalsContact CA-CG 3.4Å; G313-D560 WeakPolarHBondContact CA-OD1 3.3Å; G313-D560 WeakPolarHBondContact CA-OD2 3.44Å; G313-D560 VanDerWaalsContact N-CG 3.29Å; G313-D560 PolarHBondContact N-OD2 2.96Å
314	A	98.4	Very high	98.7	Very high	6 Å²	6	17.3 Å²	17.3	5%	0.05	10%	0.097	C	C	.	.	H	α-helix	trans	-59.6	-8.4	-173.7	0	0	0	0	0	116.5	P318 P528 T531	A314-P318 WeakPolarHBondContact O-CG 3.45Å; A314-P528 VanDerWaalsContact CB-C 3.41Å; A314-P528 HydrophobicContact CB-CB 4.16Å; A314-P528 WeakPolarHBondContact CB-O 3.33Å; A314-T531 VanDerWaalsContact C-OG1 3.3Å; A314-T531 WeakPolarHBondContact CA-OG1 3.48Å; A314-T531 WeakPolarHBondContact O-CB 3.44Å; A314-T531 WeakPolarHBondContact O-CG2 3.47Å; A314-T531 PolarHBondContact O-OG1 3.28Å
315	I	98.8	Very high	98.7	Very high	5 Å²	5	17 Å²	17	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-113.5	-54	-179.5	-57.6	177.9	0	0	0	110.1	Y123 W138 R140 G313 P318 Q319 L451 P462 I464	Y123-I315 HydrophobicContact CD1-CG2 4.35Å; Y123-I315 HydrophobicContact CD2-CD1 3.6Å; Y123-I315 HydrophobicContact CD2-CG2 4.37Å; Y123-I315 HydrophobicContact CE1-CG2 3.98Å; Y123-I315 HydrophobicContact CE2-CB 4.38Å; Y123-I315 HydrophobicContact CE2-CD1 3.9Å; Y123-I315 HydrophobicContact CE2-CG2 3.98Å; Y123-I315 HydrophobicContact CG-CD1 4.18Å; W138-I315 HydrophobicContact CE3-CD1 3.84Å; W138-I315 HydrophobicContact CZ3-CD1 4.22Å; R140-I315 HydrophobicContact CG-CD1 4.04Å; G313-I315 PolarHBondContact O-N 3.21Å; I315-P318 WeakPolarHBondContact O-CD 3.47Å; I315-P318 WeakPolarHBondContact O-CG 3.36Å; I315-Q319 WeakPolarHBondContact O-CB 3.45Å; I315-Q319 PolarHBondContact O-N 2.99Å; I315-L451 HydrophobicContact CB-CD1 4.44Å; I315-L451 HydrophobicContact CG2-CD1 3.81Å; I315-P462 HydrophobicContact CG2-CG 3.69Å; I315-I464 HydrophobicContact CD1-CD1 4.26Å; I315-I464 HydrophobicContact CG2-CD1 4.4Å
316	N	98.8	Very high	98.8	Very high	31 Å²	31	12 Å²	12	17%	0.166	7%	0.071	C	C	.	.	H	α-helix	trans	-80.3	-29.3	-171.9	-65.4	-51.2	0	0	0	113.8	W121 Y123 G312 G313 Q319 L320	W121-N316 PolarHBondContact NE1-ND2 2.72Å; Y123-N316 VanDerWaalsContact OH-CG 3.24Å; Y123-N316 PolarHBondContact OH-ND2 3.44Å; Y123-N316 PolarHBondContact OH-OD1 2.78Å; G312-N316 WeakPolarHBondContact O-CB 3.36Å; G313-N316 PolarHBondContact O-N 3.24Å; N316-Q319 PolarHBondContact O-N 2.67Å; N316-L320 WeakPolarHBondContact O-CB 3.47Å; N316-L320 PolarHBondContact O-N 3.41Å
317	S	98.9	Very high	98.8	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.007	6%	0.055	C	C	.	.	H	α-helix	trans	-63.4	-53.6	175.3	-68.4	0	0	0	0	112.4	G312 G313 Q319 L320 L321 D560	G312-S317 WeakPolarHBondContact CA-OG 3.42Å; G312-S317 PolarHBondContact N-OG 2.89Å; G313-S317 PolarHBondContact N-OG 2.75Å; G313-S317 WeakPolarHBondContact O-CB 3.33Å; G313-S317 PolarHBondContact O-N 2.93Å; G313-S317 VanDerWaalsContact O-N 3.11Å; G313-S317 PolarHBondContact O-OG 2.81Å; S317-Q319 VanDerWaalsContact C-N 3.32Å; S317-Q319 PolarHBondContact O-N 3.35Å; S317-L320 PolarHBondContact O-N 3.09Å; S317-L321 WeakPolarHBondContact O-CG 3.1Å; S317-L321 PolarHBondContact O-N 2.83Å; S317-D560 WeakPolarHBondContact CB-OD2 3.2Å; S317-D560 PolarHBondContact OG-OD2 3.12Å
318	P	98.9	Very high	98.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.3	-35.3	175.3	26.3	-36.2	0	0	0	112.4	A314 I315 L320 L321 M322 V346 L451	A314-P318 WeakPolarHBondContact O-CG 3.45Å; I315-P318 WeakPolarHBondContact O-CD 3.47Å; I315-P318 WeakPolarHBondContact O-CG 3.36Å; P318-L320 PolarHBondContact O-N 3.28Å; P318-L321 PolarHBondContact O-N 2.7Å; P318-M322 WeakPolarHBondContact O-CE 3.33Å; P318-M322 WeakPolarHBondContact O-CG 3.11Å; P318-M322 PolarHBondContact O-N 3.09Å; P318-V346 HydrophobicContact CB-CG1 3.79Å; P318-L451 HydrophobicContact CB-CD2 4.06Å; P318-L451 HydrophobicContact CG-CD2 3.84Å
319	Q	98.9	Very high	98.8	Very high	13 Å²	13	9.5 Å²	9.5	6%	0.061	6%	0.064	C	C	.	.	H	α-helix	trans	-59.2	-48.3	175	-178.7	176.1	11.5	0	0	111.8	I315 N316 S317 M322 L323 L453 D460	I315-Q319 WeakPolarHBondContact O-CB 3.45Å; I315-Q319 PolarHBondContact O-N 2.99Å; N316-Q319 PolarHBondContact O-N 2.67Å; S317-Q319 VanDerWaalsContact C-N 3.32Å; S317-Q319 PolarHBondContact O-N 3.35Å; Q319-M322 PolarHBondContact O-N 2.82Å; Q319-L323 HydrophobicContact CG-CD1 3.83Å; Q319-L323 HydrophobicContact CG-CG 4.39Å; Q319-L323 WeakPolarHBondContact O-CB 3.44Å; Q319-L323 VanDerWaalsContact O-CG 3.31Å; Q319-L323 WeakPolarHBondContact O-CG 3.34Å; Q319-L323 PolarHBondContact O-N 2.81Å; Q319-L453 HydrophobicContact CG-CD2 3.7Å; Q319-D460 PolarHBondContact NE2-O 2.77Å
320	L	98.9	Very high	98.8	Very high	12 Å²	12	14 Å²	14	6%	0.063	9%	0.088	C	C	.	.	H	α-helix	trans	-66.2	-38.3	-179.9	180	59.3	0	0	0	112	V62 T278 I281 L310 N316 S317 P318 L323 S324	V62-L320 HydrophobicContact CG1-CD2 3.84Å; T278-L320 HydrophobicContact CG2-CD1 4.06Å; T278-L320 HydrophobicContact CG2-CD2 3.71Å; I281-L320 HydrophobicContact CD1-CG 4.35Å; I281-L320 HydrophobicContact CG1-CD2 4.47Å; I281-L320 HydrophobicContact CG1-CG 4.29Å; L310-L320 HydrophobicContact CD1-CD2 4.48Å; L310-L320 HydrophobicContact CD2-CD2 3.72Å; N316-L320 WeakPolarHBondContact O-CB 3.47Å; N316-L320 PolarHBondContact O-N 3.41Å; S317-L320 PolarHBondContact O-N 3.09Å; P318-L320 PolarHBondContact O-N 3.28Å; L320-L323 PolarHBondContact O-N 3.19Å; L320-S324 WeakPolarHBondContact O-CB 3.34Å; L320-S324 PolarHBondContact O-N 2.78Å; L320-S324 VanDerWaalsContact O-N 3.13Å; L320-S324 PolarHBondContact O-OG 2.96Å
321	L	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.9	-51.1	172.1	-73.1	175.4	0	0	0	110.8	I281 L310 S317 P318 L323 S324 G325 V326 V346 V543 L556 V558	I281-L321 HydrophobicContact CD1-CD2 4.06Å; L310-L321 HydrophobicContact CD1-CD1 4.49Å; L310-L321 HydrophobicContact CD1-CD2 3.7Å; L310-L321 HydrophobicContact CD1-CG 3.73Å; S317-L321 WeakPolarHBondContact O-CG 3.1Å; S317-L321 PolarHBondContact O-N 2.83Å; P318-L321 PolarHBondContact O-N 2.7Å; L321-L323 PolarHBondContact O-N 3.39Å; L321-S324 CarbonylContact O-C 3.09Å; L321-S324 WeakPolarHBondContact O-CA 3.33Å; L321-S324 PolarHBondContact O-N 3.4Å; L321-G325 PolarHBondContact O-N 2.85Å; L321-V326 CarbonylContact C-O 3.5Å; L321-V326 HydrophobicContact CB-CB 4.14Å; L321-V326 HydrophobicContact CB-CG1 4.48Å; L321-V326 HydrophobicContact CD2-CB 4.27Å; L321-V326 HydrophobicContact CD2-CG1 4.26Å; L321-V326 WeakPolarHBondContact O-CB 3.31Å; L321-V326 PolarHBondContact O-N 3.03Å; L321-V346 HydrophobicContact CB-CG1 3.87Å; L321-V346 HydrophobicContact CD1-CG1 4.09Å; L321-V346 HydrophobicContact CD1-CG2 4.16Å; L321-V543 HydrophobicContact CD1-CG1 4.22Å; L321-L556 HydrophobicContact CD2-CD2 3.83Å; L321-V558 HydrophobicContact CD1-CG2 4.07Å
322	M	98.9	Very high	98.7	Very high	8 Å²	8	15.6 Å²	15.6	4%	0.039	10%	0.096	C	C	.	.	H	α-helix	trans	-62.1	-45.1	179.7	-69.1	-175.1	-73.7	0	0	112.3	P318 Q319 S324 G325 V326 L332 V346 L451 L453	P318-M322 WeakPolarHBondContact O-CE 3.33Å; P318-M322 WeakPolarHBondContact O-CG 3.11Å; P318-M322 PolarHBondContact O-N 3.09Å; Q319-M322 PolarHBondContact O-N 2.82Å; M322-S324 PolarHBondContact O-N 2.96Å; M322-G325 PolarHBondContact O-N 3.37Å; M322-V326 WeakPolarHBondContact CA-O 3.5Å; M322-V326 PolarHBondContact N-O 3.34Å; M322-L332 HydrophobicContact CB-CD2 4.01Å; M322-L332 WeakPolarHBondContact O-CD2 3.46Å; M322-V346 HydrophobicContact CG-CG1 3.82Å; M322-L451 HydrophobicContact CE-CD2 3.46Å; M322-L451 VanDerWaalsContact CE-CD2 3.46Å; M322-L453 HydrophobicContact CB-CD1 3.59Å; M322-L453 HydrophobicContact CB-CD2 4.04Å; M322-L453 HydrophobicContact CB-CG 3.64Å; M322-L453 HydrophobicContact CE-CD2 4.06Å; M322-L453 HydrophobicContact CE-CG 4.05Å; M322-L453 HydrophobicContact CG-CG 4.49Å; M322-L453 HydrophobicContact SD-CG 4.1Å
323	L	98.9	Very high	98.7	Very high	9 Å²	9	20.1 Å²	20.1	5%	0.047	11%	0.109	C	C	.	.	H	α-helix	trans	-61.2	-18.8	176.3	-72.4	167.1	0	0	0	113.4	R280 Q319 L320 L321 L453 P458	R280-L323 PolarHBondContact NE-O 2.8Å; Q319-L323 HydrophobicContact CG-CD1 3.83Å; Q319-L323 HydrophobicContact CG-CG 4.39Å; Q319-L323 WeakPolarHBondContact O-CB 3.44Å; Q319-L323 VanDerWaalsContact O-CG 3.31Å; Q319-L323 WeakPolarHBondContact O-CG 3.34Å; Q319-L323 PolarHBondContact O-N 2.81Å; L320-L323 PolarHBondContact O-N 3.19Å; L321-L323 PolarHBondContact O-N 3.39Å; L323-L453 HydrophobicContact CD2-CD1 3.97Å; L323-L453 HydrophobicContact CD2-CD2 4.08Å; L323-L453 HydrophobicContact CG-CD1 4.18Å; L323-L453 HydrophobicContact CG-CD2 3.87Å; L323-P458 HydrophobicContact CD1-CB 3.93Å
324	S	98.9	Very high	98.7	Very high	7 Å²	7	26.3 Å²	26.3	5%	0.049	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	9.8	179	-47.2	0	0	0	0	113.2	I281 L320 L321 M322 V340	I281-S324 PolarHBondContact N-OG 2.87Å; L320-S324 WeakPolarHBondContact O-CB 3.34Å; L320-S324 PolarHBondContact O-N 2.78Å; L320-S324 VanDerWaalsContact O-N 3.13Å; L320-S324 PolarHBondContact O-OG 2.96Å; L321-S324 CarbonylContact O-C 3.09Å; L321-S324 WeakPolarHBondContact O-CA 3.33Å; L321-S324 PolarHBondContact O-N 3.4Å; M322-S324 PolarHBondContact O-N 2.96Å; S324-V340 WeakPolarHBondContact O-CG2 3.46Å
325	G	98.7	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	15.2	177.1	0	0	0	0	0	114.9	L321 M322 P338 V340 Q341	L321-G325 PolarHBondContact O-N 2.85Å; M322-G325 PolarHBondContact O-N 3.37Å; G325-P338 WeakPolarHBondContact CA-O 3.18Å; G325-V340 PolarHBondContact O-N 3.4Å; G325-Q341 PolarHBondContact O-N 3.43Å; G325-Q341 VanDerWaalsContact O-N 3.15Å
326	V	98.9	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108	178.8	-174.6	0	0	0	0	109.4	F283 L321 M322 V340 Q341 L343 V346 V550 L553	F283-V326 HydrophobicContact CE2-CG2 4.19Å; F283-V326 HydrophobicContact CZ-CG2 3.84Å; L321-V326 CarbonylContact C-O 3.5Å; L321-V326 HydrophobicContact CB-CB 4.14Å; L321-V326 HydrophobicContact CB-CG1 4.48Å; L321-V326 HydrophobicContact CD2-CB 4.27Å; L321-V326 HydrophobicContact CD2-CG1 4.26Å; L321-V326 WeakPolarHBondContact O-CB 3.31Å; L321-V326 PolarHBondContact O-N 3.03Å; M322-V326 WeakPolarHBondContact CA-O 3.5Å; M322-V326 PolarHBondContact N-O 3.34Å; V326-V340 HydrophobicContact CG2-CB 4.43Å; V326-Q341 WeakPolarHBondContact CA-O 3.41Å; V326-Q341 HydrophobicContact CG1-CB 4.37Å; V326-L343 HydrophobicContact CG1-CD1 3.86Å; V326-V346 HydrophobicContact CG1-CG2 4.49Å; V326-V550 HydrophobicContact CG1-CG1 4.36Å; V326-L553 HydrophobicContact CB-CD1 4.48Å; V326-L553 HydrophobicContact CG1-CD1 3.99Å; V326-L553 HydrophobicContact CG2-CD1 3.61Å
327	G	98.7	Very high	98.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	-160.7	-176.5	0	0	0	0	0	114.3	A329 Q341 H342 L343	G327-A329 PolarHBondContact O-N 2.97Å; G327-Q341 PolarHBondContact N-O 2.75Å; G327-Q341 VanDerWaalsContact N-O 3.12Å; G327-H342 WeakPolarHBondContact O-CA 3.44Å; G327-H342 PolarHBondContact O-ND1 3.27Å; G327-L343 CarbonylContact C-O 3.56Å; G327-L343 VanDerWaalsContact CA-O 3.28Å; G327-L343 WeakPolarHBondContact CA-O 3.44Å; G327-L343 PolarHBondContact O-N 3.1Å
328	N	98.7	Very high	98.6	Very high	43 Å²	43	39.1 Å²	39.1	23%	0.23	21%	0.205	C	C	.	.			trans	-63.1	121.9	172.7	-176.6	-61.7	0	0	0	110	D330 D331 L332 L343 P344	N328-D330 VanDerWaalsContact C-N 3.28Å; N328-D330 PolarHBondContact O-N 2.74Å; N328-D330 PolarHBondContact OD1-N 3.29Å; N328-D331 HydrophobicContact CB-CB 4.1Å; N328-D331 PolarHBondContact O-N 3.17Å; N328-D331 PolarHBondContact OD1-N 3.05Å; N328-L332 VanDerWaalsContact O-CG 3.24Å; N328-L332 WeakPolarHBondContact O-CG 3.49Å; N328-L332 PolarHBondContact O-N 2.92Å; N328-L332 VanDerWaalsContact O-N 3.08Å; N328-L343 PolarHBondContact N-O 2.61Å; N328-P344 HydrophobicContact CB-CB 4.48Å
329	A	98.6	Very high	98.6	Very high	13 Å²	13	41.8 Å²	41.8	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-31.5	-170.3	0	0	0	0	0	112.6	G327 K333 V339 H342	G327-A329 PolarHBondContact O-N 2.97Å; A329-K333 WeakPolarHBondContact O-CD 3.5Å; A329-K333 WeakPolarHBondContact O-CG 3.41Å; A329-K333 PolarHBondContact O-N 2.89Å; A329-K333 VanDerWaalsContact O-N 3.11Å; A329-V339 HydrophobicContact CB-CG1 4.2Å; A329-V339 HydrophobicContact CB-CG2 4.06Å; A329-H342 HydrophobicContact CB-CB 4.31Å; A329-H342 PolarHBondContact N-ND1 2.76Å
330	D	98.5	Very high	98.6	Very high	94 Å²	94	43.5 Å²	43.5	50%	0.503	23%	0.233	S	C	.	.	H	α-helix	trans	-79.2	-39.3	-178.1	-62.5	-27.3	0	0	0	111.1	N328 L332 K333 Q334	N328-D330 VanDerWaalsContact C-N 3.28Å; N328-D330 PolarHBondContact O-N 2.74Å; N328-D330 PolarHBondContact OD1-N 3.29Å; D330-L332 VanDerWaalsContact C-N 3.31Å; D330-L332 PolarHBondContact O-N 2.7Å; D330-K333 PolarHBondContact O-N 3.04Å; D330-K333 IonicContact OD1-NZ 2.79Å; D330-K333 PolarHBondContact OD1-NZ 3.14Å; D330-Q334 VanDerWaalsContact O-CG 3.32Å; D330-Q334 WeakPolarHBondContact O-CG 3.38Å; D330-Q334 PolarHBondContact O-N 3.1Å; D330-Q334 VanDerWaalsContact O-N 3.1Å
331	D	98.3	Very high	98.6	Very high	37 Å²	37	44.5 Å²	44.5	20%	0.198	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-40.9	172.1	-70	-27.7	0	0	0	111.4	N328 Q334 K452	N328-D331 HydrophobicContact CB-CB 4.1Å; N328-D331 PolarHBondContact O-N 3.17Å; N328-D331 PolarHBondContact OD1-N 3.05Å; D331-Q334 PolarHBondContact O-N 2.93Å; D331-K452 IonicContact OD1-NZ 2.7Å; D331-K452 PolarHBondContact OD1-NZ 2.94Å; D331-K452 WeakPolarHBondContact OD2-CE 3.4Å; D331-K452 IonicContact OD2-NZ 3.35Å; D331-K452 PolarHBondContact OD2-NZ 2.79Å
332	L	98.8	Very high	98.6	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-43.4	178.5	-67.4	177.1	0	0	0	112.5	M322 N328 D330 Q334 L335 D336 I337 V339 L453	M322-L332 HydrophobicContact CB-CD2 4.01Å; M322-L332 WeakPolarHBondContact O-CD2 3.46Å; N328-L332 VanDerWaalsContact O-CG 3.24Å; N328-L332 WeakPolarHBondContact O-CG 3.49Å; N328-L332 PolarHBondContact O-N 2.92Å; N328-L332 VanDerWaalsContact O-N 3.08Å; D330-L332 VanDerWaalsContact C-N 3.31Å; D330-L332 PolarHBondContact O-N 2.7Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.65Å; L332-L335 CarbonylContact O-C 3.14Å; L332-L335 PolarHBondContact O-N 3.47Å; L332-L335 VanDerWaalsContact O-N 3.11Å; L332-D336 PolarHBondContact O-N 2.97Å; L332-I337 HydrophobicContact CB-CB 4.29Å; L332-I337 HydrophobicContact CD2-CB 4.29Å; L332-I337 HydrophobicContact CD2-CD1 4.19Å; L332-I337 HydrophobicContact CD2-CG2 4.19Å; L332-I337 PolarHBondContact O-N 3.23Å; L332-V339 HydrophobicContact CB-CG2 4.08Å; L332-V339 HydrophobicContact CD1-CG2 4.22Å; L332-L453 HydrophobicContact CD2-CD1 4.48Å
333	K	98.5	Very high	98.6	Very high	122 Å²	122	49 Å²	49	53%	0.53	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-36.1	177	-73	165.7	-163.5	162.4	0	112.2	A329 D330 L335 D336 V339	A329-K333 WeakPolarHBondContact O-CD 3.5Å; A329-K333 WeakPolarHBondContact O-CG 3.41Å; A329-K333 PolarHBondContact O-N 2.89Å; A329-K333 VanDerWaalsContact O-N 3.11Å; D330-K333 PolarHBondContact O-N 3.04Å; D330-K333 IonicContact OD1-NZ 2.79Å; D330-K333 PolarHBondContact OD1-NZ 3.14Å; K333-L335 PolarHBondContact O-N 3.01Å; K333-D336 PolarHBondContact O-N 3.19Å; K333-D336 VanDerWaalsContact O-N 3.1Å; K333-V339 HydrophobicContact CG-CG2 4.35Å
334	Q	98.2	Very high	98.5	Very high	149 Å²	149	50 Å²	50	70%	0.696	27%	0.265	S	S	*	.	H	α-helix	trans	-61.7	-21.5	176.3	-74.4	173.5	27.3	0	0	113.2	D330 D331 L332	D330-Q334 VanDerWaalsContact O-CG 3.32Å; D330-Q334 WeakPolarHBondContact O-CG 3.38Å; D330-Q334 PolarHBondContact O-N 3.1Å; D330-Q334 VanDerWaalsContact O-N 3.1Å; D331-Q334 PolarHBondContact O-N 2.93Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.65Å
335	L	98.4	Very high	98.5	Very high	50 Å²	50	49.8 Å²	49.8	26%	0.262	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	13.6	178.2	-61.5	178.8	0	0	0	112.9	L332 K333 I337 L453	L332-L335 CarbonylContact O-C 3.14Å; L332-L335 PolarHBondContact O-N 3.47Å; L332-L335 VanDerWaalsContact O-N 3.11Å; K333-L335 PolarHBondContact O-N 3.01Å; L335-I337 HydrophobicContact CB-CD1 4.07Å; L335-I337 HydrophobicContact CB-CG1 4.14Å; L335-I337 HydrophobicContact CD1-CD1 4.48Å; L335-I337 PolarHBondContact O-N 2.91Å; L335-L453 HydrophobicContact CD1-CB 3.43Å; L335-L453 VanDerWaalsContact CD1-CB 3.43Å; L335-L453 HydrophobicContact CD1-CD1 4.14Å; L335-L453 HydrophobicContact CD1-CG 4.43Å
336	D	98.2	Very high	98.5	Very high	152 Å²	152	50 Å²	50	81%	0.813	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	31.3	-176.7	-60.3	-52.2	0	0	0	113.7	L332 K333	L332-D336 PolarHBondContact O-N 2.97Å; K333-D336 PolarHBondContact O-N 3.19Å; K333-D336 VanDerWaalsContact O-N 3.1Å
337	I	98.5	Very high	98.5	Very high	9 Å²	9	50 Å²	50	5%	0.046	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-92.3	120.6	175.9	-59.7	172.7	0	0	0	108.9	L332 L335 V339 L453 A456	L332-I337 HydrophobicContact CB-CB 4.29Å; L332-I337 HydrophobicContact CD2-CB 4.29Å; L332-I337 HydrophobicContact CD2-CD1 4.19Å; L332-I337 HydrophobicContact CD2-CG2 4.19Å; L332-I337 PolarHBondContact O-N 3.23Å; L335-I337 HydrophobicContact CB-CD1 4.07Å; L335-I337 HydrophobicContact CB-CG1 4.14Å; L335-I337 HydrophobicContact CD1-CD1 4.48Å; L335-I337 PolarHBondContact O-N 2.91Å; I337-V339 PolarHBondContact O-N 2.81Å; I337-L453 HydrophobicContact CD1-CD1 3.39Å; I337-A456 HydrophobicContact CD1-CB 4.24Å; I337-A456 HydrophobicContact CG1-CB 4.12Å
338	P	97.9	Very high	98.5	Very high	100 Å²	100	51.5 Å²	51.5	65%	0.649	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-59.3	129.9	175.4	-24.2	34.5	0	0	0	111.5	G325 V340	G325-P338 WeakPolarHBondContact CA-O 3.18Å; P338-V340 PolarHBondContact O-N 3.31Å
339	V	98.6	Very high	98.5	Very high	57 Å²	57	51.1 Å²	51.1	35%	0.345	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-79.1	117.1	178.7	-177.3	0	0	0	0	109.3	A329 L332 K333 I337	A329-V339 HydrophobicContact CB-CG1 4.2Å; A329-V339 HydrophobicContact CB-CG2 4.06Å; L332-V339 HydrophobicContact CB-CG2 4.08Å; L332-V339 HydrophobicContact CD1-CG2 4.22Å; K333-V339 HydrophobicContact CG-CG2 4.35Å; I337-V339 PolarHBondContact O-N 2.81Å
340	V	98.6	Very high	98.5	Very high	48 Å²	48	50.7 Å²	50.7	29%	0.291	27%	0.27	S	S	.	.	S	Bend	trans	-87.2	-46.8	170.4	176	0	0	0	0	109.6	F283 S324 G325 V326 P338 L553	F283-V340 HydrophobicContact CD1-CG1 4.1Å; F283-V340 HydrophobicContact CD2-CG1 4.06Å; F283-V340 HydrophobicContact CD2-CG2 4.06Å; F283-V340 HydrophobicContact CE1-CG1 4.26Å; F283-V340 HydrophobicContact CE2-CG1 4.2Å; F283-V340 HydrophobicContact CE2-CG2 4.39Å; F283-V340 HydrophobicContact CG-CG1 4.01Å; F283-V340 HydrophobicContact CZ-CG1 4.31Å; S324-V340 WeakPolarHBondContact O-CG2 3.46Å; G325-V340 PolarHBondContact O-N 3.4Å; V326-V340 HydrophobicContact CG2-CB 4.43Å; P338-V340 PolarHBondContact O-N 3.31Å; V340-L553 HydrophobicContact CG1-CD2 4.07Å
341	Q	98.6	Very high	98.5	Very high	34 Å²	34	47 Å²	47	16%	0.159	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	128.7	-179.6	176.7	60	32.2	0	0	110.6	G325 V326 G327 L343 L553	G325-Q341 PolarHBondContact O-N 3.43Å; G325-Q341 VanDerWaalsContact O-N 3.15Å; V326-Q341 WeakPolarHBondContact CA-O 3.41Å; V326-Q341 HydrophobicContact CG1-CB 4.37Å; G327-Q341 PolarHBondContact N-O 2.75Å; G327-Q341 VanDerWaalsContact N-O 3.12Å; Q341-L343 HydrophobicContact CG-CD1 4.24Å; Q341-L343 HydrophobicContact CG-CG 3.95Å; Q341-L343 PolarHBondContact O-N 2.61Å; Q341-L553 HydrophobicContact CB-CD1 4.11Å; Q341-L553 HydrophobicContact CB-CD2 3.94Å; Q341-L553 HydrophobicContact CB-CG 4.05Å; Q341-L553 HydrophobicContact CG-CD1 4.47Å; Q341-L553 HydrophobicContact CG-CD2 4.47Å; Q341-L553 HydrophobicContact CG-CG 4.19Å
342	H	98.6	Very high	98.5	Very high	89 Å²	89	45.7 Å²	45.7	41%	0.412	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	113	172.4	-177.9	47.3	0	0	0	110.1	G327 A329	G327-H342 WeakPolarHBondContact O-CA 3.44Å; G327-H342 PolarHBondContact O-ND1 3.27Å; A329-H342 HydrophobicContact CB-CB 4.31Å; A329-H342 PolarHBondContact N-ND1 2.76Å
343	L	98.6	Very high	98.5	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.063	24%	0.242	C	C	.	.			trans	-138	89.4	171.5	-73.1	176.4	0	0	0	108.5	V326 G327 N328 Q341 G345 V346 V543 V550 L551	V326-L343 HydrophobicContact CG1-CD1 3.86Å; G327-L343 CarbonylContact C-O 3.56Å; G327-L343 VanDerWaalsContact CA-O 3.28Å; G327-L343 WeakPolarHBondContact CA-O 3.44Å; G327-L343 PolarHBondContact O-N 3.1Å; N328-L343 PolarHBondContact N-O 2.61Å; Q341-L343 HydrophobicContact CG-CD1 4.24Å; Q341-L343 HydrophobicContact CG-CG 3.95Å; Q341-L343 PolarHBondContact O-N 2.61Å; L343-G345 PolarHBondContact O-N 2.61Å; L343-G345 VanDerWaalsContact O-N 3.12Å; L343-V346 HydrophobicContact CB-CG2 3.79Å; L343-V346 HydrophobicContact CD1-CG2 4.47Å; L343-V346 PolarHBondContact O-N 3.44Å; L343-V346 VanDerWaalsContact O-N 3.11Å; L343-V543 HydrophobicContact CD1-CG1 4.41Å; L343-V550 HydrophobicContact CD1-CG1 3.64Å; L343-L551 HydrophobicContact CD2-CB 4.07Å
344	P	98.6	Very high	98.3	Very high	31 Å²	31	39.9 Å²	39.9	20%	0.201	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.7	-176.9	27.9	-33.5	0	0	0	113.2	N328 V346 S348 M541	N328-P344 HydrophobicContact CB-CB 4.48Å; P344-V346 VanDerWaalsContact C-N 3.3Å; P344-V346 PolarHBondContact O-N 3.14Å; P344-S348 PolarHBondContact O-OG 3.06Å; P344-M541 HydrophobicContact CG-SD 4.36Å
345	G	98.8	Very high	98.2	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.9	171.5	0	0	0	0	0	114.9	L343 G347 S348 M541	L343-G345 PolarHBondContact O-N 2.61Å; L343-G345 VanDerWaalsContact O-N 3.12Å; G345-G347 PolarHBondContact O-N 2.69Å; G345-S348 WeakPolarHBondContact O-CB 3.27Å; G345-S348 PolarHBondContact O-N 3.4Å; G345-M541 WeakPolarHBondContact CA-O 3.28Å
346	V	98.9	Very high	98	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.036	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	119.9	-177.8	179.9	0	0	0	0	110.2	P318 L321 M322 V326 L343 P344 S348 V543	P318-V346 HydrophobicContact CB-CG1 3.79Å; L321-V346 HydrophobicContact CB-CG1 3.87Å; L321-V346 HydrophobicContact CD1-CG1 4.09Å; L321-V346 HydrophobicContact CD1-CG2 4.16Å; M322-V346 HydrophobicContact CG-CG1 3.82Å; V326-V346 HydrophobicContact CG1-CG2 4.49Å; L343-V346 HydrophobicContact CB-CG2 3.79Å; L343-V346 HydrophobicContact CD1-CG2 4.47Å; L343-V346 PolarHBondContact O-N 3.44Å; L343-V346 VanDerWaalsContact O-N 3.11Å; P344-V346 VanDerWaalsContact C-N 3.3Å; P344-V346 PolarHBondContact O-N 3.14Å; V346-S348 PolarHBondContact O-N 2.73Å; V346-V543 HydrophobicContact CB-CG2 4.49Å; V346-V543 HydrophobicContact CG2-CB 4.48Å; V346-V543 HydrophobicContact CG2-CG1 3.76Å; V346-V543 HydrophobicContact CG2-CG2 3.87Å
347	G	98.8	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-10.3	-176.1	0	0	0	0	0	114.1	G345 W450 L451 T531	G345-G347 PolarHBondContact O-N 2.69Å; G347-W450 CarbonylContact O-C 3.56Å; G347-W450 VanDerWaalsContact O-CA 3.25Å; G347-W450 WeakPolarHBondContact O-CA 3.09Å; G347-L451 PolarHBondContact O-N 3.26Å; G347-T531 PolarHBondContact N-O 2.68Å
348	S	98.6	Very high	97.9	Very high	31 Å²	31	25.2 Å²	25.2	22%	0.217	14%	0.141	C	C	.	.			trans	-82	173.7	175.2	-63.6	0	0	0	0	111.3	P344 G345 V346 L350 T531	P344-S348 PolarHBondContact O-OG 3.06Å; G345-S348 WeakPolarHBondContact O-CB 3.27Å; G345-S348 PolarHBondContact O-N 3.4Å; V346-S348 PolarHBondContact O-N 2.73Å; S348-L350 PolarHBondContact O-N 3.36Å; S348-T531 VanDerWaalsContact O-CA 3.29Å; S348-T531 WeakPolarHBondContact O-CA 3.46Å
349	N	98.5	Very high	97.8	Very high	35 Å²	35	20.6 Å²	20.6	19%	0.187	11%	0.111	C	C	.	.	S	Bend	trans	58.6	31.9	176.8	-167.6	43.9	0	0	0	113.8	Q351 G449 C530 P565	N349-Q351 PolarHBondContact O-N 2.85Å; N349-Q351 PolarHBondContact OD1-NE2 2.91Å; N349-G449 PolarHBondContact N-O 2.86Å; N349-C530 CarbonylContact O-C 3.01Å; N349-C530 WeakPolarHBondContact O-CB 3.23Å; N349-P565 PolarHBondContact ND2-O 3.22Å
350	L	98.8	Very high	97.8	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-66.1	119.2	177.3	173	62.4	0	0	0	109.2	W138 S348 G449 I464 P466 P528 T531	W138-L350 HydrophobicContact CH2-CD1 4.28Å; W138-L350 HydrophobicContact CH2-CD2 3.93Å; W138-L350 HydrophobicContact CH2-CG 4.41Å; W138-L350 HydrophobicContact CZ3-CD1 4.42Å; W138-L350 HydrophobicContact CZ3-CD2 4.33Å; S348-L350 PolarHBondContact O-N 3.36Å; L350-G449 PolarHBondContact N-O 3.41Å; L350-G449 WeakPolarHBondContact O-CA 3.42Å; L350-G449 PolarHBondContact O-N 2.83Å; L350-I464 HydrophobicContact CD2-CG2 4.22Å; L350-P466 HydrophobicContact CD2-CB 4.38Å; L350-P528 HydrophobicContact CD1-CB 3.96Å; L350-T531 HydrophobicContact CB-CG2 3.78Å; L350-T531 HydrophobicContact CD1-CG2 3.6Å; L350-T531 HydrophobicContact CG-CG2 4.24Å
351	Q	98.6	Very high	97.8	Very high	16 Å²	16	19.9 Å²	19.9	8%	0.075	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-121.5	140.4	176.3	-64.8	179.5	34.7	0	0	109.3	N349 I448 P528 S529 C530 V567	N349-Q351 PolarHBondContact O-N 2.85Å; N349-Q351 PolarHBondContact OD1-NE2 2.91Å; Q351-I448 HydrophobicContact CG-CD1 3.5Å; Q351-I448 VanDerWaalsContact CG-CD1 3.5Å; Q351-P528 CarbonylContact O-C 3.47Å; Q351-P528 WeakPolarHBondContact O-CA 3.33Å; Q351-S529 PolarHBondContact N-O 2.94Å; Q351-S529 PolarHBondContact O-N 2.81Å; Q351-S529 PolarHBondContact O-OG 2.76Å; Q351-S529 VanDerWaalsContact O-OG 3.14Å; Q351-C530 HydrophobicContact CB-CB 4.32Å; Q351-C530 HydrophobicContact CG-CB 4.31Å; Q351-V567 HydrophobicContact CB-CB 4.04Å; Q351-V567 HydrophobicContact CB-CG1 4.25Å
352	D	97.6	Very high	97.7	Very high	11 Å²	11	18.4 Å²	18.4	6%	0.059	9%	0.094	C	C	.	.			trans	-144.4	158.4	176.5	-166.9	3.9	0	0	0	108.8	Y468 S524 H527	D352-Y468 HydrophobicContact CB-CE1 4.14Å; D352-Y468 PolarHBondContact OD2-OH 2.68Å; D352-S524 PolarHBondContact OD2-OG 2.8Å; D352-H527 WeakPolarHBondContact OD1-CA 3.3Å; D352-H527 WeakPolarHBondContact OD1-CB 3.4Å; D352-H527 PolarHBondContact OD1-N 3.35Å
353	H	97.6	Very high	97.7	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.099	C	C	.	.			trans	-89.8	127.4	168.4	-63.1	144.7	0	0	0	109.2	M443 A525 H527 V567 V568 G570	H353-M443 HydrophobicContact CB-CE 4.05Å; H353-M443 PolarHBondContact CD2-O 2.75Å; H353-M443 PolarHBondContact NE2-O 2.59Å; H353-A525 HydrophobicContact CB-CB 4.01Å; H353-A525 WeakPolarHBondContact O-CB 3.33Å; H353-A525 PolarHBondContact O-N 3.1Å; H353-H527 HydrophobicContact CB-CB 4.18Å; H353-H527 AromaticContact CG-ND1 3.82Å; H353-H527 AromaticContact ND1-CG 3.7Å; H353-H527 AromaticContact ND1-ND1 3.17Å; H353-H527 PolarHBondContact ND1-ND1 2.7Å; H353-H527 VanDerWaalsContact ND1-ND1 3.17Å; H353-V567 VanDerWaalsContact NE2-CG2 3.29Å; H353-V567 WeakPolarHBondContact NE2-CG2 3.48Å; H353-V568 PolarHBondContact CE1-O 3.22Å; H353-V568 PolarHBondContact NE2-O 3.3Å; H353-G570 PolarHBondContact CE1-O 3.41Å
354	L	95.4	Very high	97.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	155	160.2	-73.1	98.9	0	0	0	110.2	Y468 F478 A522 D523	L354-Y468 HydrophobicContact CD1-CD1 3.09Å; L354-Y468 HydrophobicContact CD1-CE1 3.34Å; L354-Y468 HydrophobicContact CD1-CG 3.71Å; L354-Y468 HydrophobicContact CD2-CD1 4.14Å; L354-Y468 HydrophobicContact CD2-CD2 4.19Å; L354-Y468 HydrophobicContact CD2-CG 3.88Å; L354-Y468 HydrophobicContact CG-CD1 3.82Å; L354-Y468 HydrophobicContact CG-CD2 4.49Å; L354-Y468 HydrophobicContact CG-CE1 3.83Å; L354-Y468 HydrophobicContact CG-CG 4.08Å; L354-F478 HydrophobicContact CB-CE1 4.21Å; L354-F478 HydrophobicContact CB-CE2 3.85Å; L354-F478 HydrophobicContact CB-CZ 3.29Å; L354-F478 HydrophobicContact CG-CZ 4.47Å; L354-A522 HydrophobicContact CD2-CB 3.9Å; L354-D523 CarbonylContact C-O 3.59Å; L354-D523 VanDerWaalsContact CA-O 3.23Å; L354-D523 WeakPolarHBondContact CA-O 3.49Å
355	E	95.3	Very high	97.5	Very high	21 Å²	21	24 Å²	24	10%	0.098	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	159.9	169.6	60.6	178.5	-152.8	0	0	110.7	Y357 H439 V440 A522 D523 A525	E355-Y357 HydrophobicContact CG-CE1 4.07Å; E355-Y357 VanDerWaalsContact OE1-CE1 3.27Å; E355-Y357 WeakPolarHBondContact OE1-CE1 3.15Å; E355-Y357 PolarHBondContact OE1-OH 3.4Å; E355-H439 IonicContact OE1-CE1 3.39Å; E355-H439 IonicContact OE1-CG 2.66Å; E355-H439 IonicContact OE1-ND1 3.32Å; E355-H439 PolarHBondContact OE1-ND1 3.44Å; E355-H439 VanDerWaalsContact OE1-ND1 3.12Å; E355-H439 IonicContact OE2-ND1 2.81Å; E355-V440 CarbonylContact C-O 3.6Å; E355-V440 WeakPolarHBondContact CA-O 3.15Å; E355-A522 CarbonylContact O-C 3.23Å; E355-A522 WeakPolarHBondContact O-CA 2.82Å; E355-D523 PolarHBondContact N-O 3.48Å; E355-D523 PolarHBondContact O-N 2.85Å; E355-A525 HydrophobicContact CB-CB 4.27Å; E355-A525 HydrophobicContact CG-CB 3.92Å
356	L	94.9	Very high	97.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	157.4	171.7	77.6	114.3	0	0	0	109.7	V358 H439 V440 F478 C481 V482 F517	L356-V358 HydrophobicContact CD1-CG2 3.51Å; L356-H439 WeakPolarHBondContact O-CA 3.17Å; L356-V440 HydrophobicContact CD1-CG1 4.07Å; L356-V440 HydrophobicContact CD2-CG1 3.84Å; L356-V440 HydrophobicContact CG-CG1 3.64Å; L356-V440 PolarHBondContact N-O 3.25Å; L356-V440 PolarHBondContact O-N 3.29Å; L356-F478 HydrophobicContact CB-CD1 4.46Å; L356-F478 HydrophobicContact CB-CE1 4.33Å; L356-F478 HydrophobicContact CD2-CD1 3.37Å; L356-F478 HydrophobicContact CD2-CE1 3.74Å; L356-F478 HydrophobicContact CG-CD1 4.49Å; L356-C481 HydrophobicContact CD2-CB 3.77Å; L356-V482 HydrophobicContact CD1-CG2 3.49Å; L356-V482 VanDerWaalsContact CD1-CG2 3.49Å; L356-V482 HydrophobicContact CD2-CG2 4.21Å; L356-F517 HydrophobicContact CD1-CE1 3.85Å
357	Y	95.9	Very high	97.1	Very high	29 Å²	29	26.4 Å²	26.4	11%	0.114	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.8	178.9	-55	-22.6	0	0	0	110.3	E355 V423 H439	E355-Y357 HydrophobicContact CG-CE1 4.07Å; E355-Y357 VanDerWaalsContact OE1-CE1 3.27Å; E355-Y357 WeakPolarHBondContact OE1-CE1 3.15Å; E355-Y357 PolarHBondContact OE1-OH 3.4Å; Y357-V423 HydrophobicContact CD2-CB 4.42Å; Y357-V423 HydrophobicContact CD2-CG1 4.27Å; Y357-V423 HydrophobicContact CE2-CB 4.26Å; Y357-V423 HydrophobicContact CE2-CG1 3.67Å; Y357-H439 HydrophobicContact CD1-CB 4.11Å; Y357-H439 AromaticContact CD1-CD2 3.55Å; Y357-H439 AromaticContact CD1-CG 3.61Å; Y357-H439 AromaticContact CD1-ND1 3.95Å; Y357-H439 AromaticContact CD1-NE2 3.9Å; Y357-H439 HydrophobicContact CE1-CB 4.02Å; Y357-H439 AromaticContact CE1-CD2 3.63Å; Y357-H439 AromaticContact CE1-CE1 3.42Å; Y357-H439 VanDerWaalsContact CE1-CE1 3.42Å; Y357-H439 WeakPolarHBondContact CE1-CE1 3.47Å; Y357-H439 AromaticContact CE1-CG 3.37Å; Y357-H439 AromaticContact CE1-ND1 3.23Å; Y357-H439 WeakPolarHBondContact CE1-ND1 3.36Å; Y357-H439 AromaticContact CE1-NE2 3.69Å; Y357-H439 AromaticContact CZ-CE1 3.64Å; Y357-H439 AromaticContact CZ-ND1 3.84Å
358	V	97.8	Very high	96.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114.8	167.2	-176.2	0	0	0	0	107.6	L356 Q437 V438 V440 V482 F489 Q503	L356-V358 HydrophobicContact CD1-CG2 3.51Å; V358-Q437 WeakPolarHBondContact O-CA 3.26Å; V358-Q437 WeakPolarHBondContact O-CB 3.41Å; V358-V438 HydrophobicContact CB-CG2 4.02Å; V358-V438 PolarHBondContact N-O 2.96Å; V358-V438 VanDerWaalsContact N-O 3.16Å; V358-V438 PolarHBondContact O-N 3.36Å; V358-V438 VanDerWaalsContact O-N 3.09Å; V358-V440 HydrophobicContact CG2-CG1 4.19Å; V358-V482 HydrophobicContact CG2-CG2 4.45Å; V358-F489 HydrophobicContact CG1-CD2 4.43Å; V358-F489 HydrophobicContact CG1-CE2 4.29Å; V358-Q503 CarbonylContact C-O 3.59Å; V358-Q503 WeakPolarHBondContact CA-O 3.48Å
359	Q	97.5	Very high	96.7	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.1	-169.6	-55.9	-170.1	-13.1	0	0	111.3	V423 Q437 V502 Q503	Q359-V423 PolarHBondContact NE2-O 3.26Å; Q359-Q437 HydrophobicContact CB-CB 4.32Å; Q359-Q437 HydrophobicContact CG-CB 3.86Å; Q359-V502 HydrophobicContact CB-CB 3.93Å; Q359-V502 HydrophobicContact CB-CG1 4.27Å; Q359-V502 PolarHBondContact O-N 3.12Å; Q359-Q503 HydrophobicContact CB-CB 3.9Å; Q359-Q503 HydrophobicContact CG-CB 3.97Å; Q359-Q503 PolarHBondContact N-O 2.77Å; Q359-Q503 PolarHBondContact O-N 3.13Å
360	Q	97.8	Very high	96.4	Very high	18 Å²	18	32.5 Å²	32.5	8%	0.084	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.6	174.9	-160	76.7	31	0	0	109.7	A435 Y436 F489 R498 G499 P500 E501	Q360-A435 CarbonylContact O-C 3.43Å; Q360-A435 WeakPolarHBondContact O-CA 3.45Å; Q360-A435 WeakPolarHBondContact O-CB 3.3Å; Q360-Y436 HydrophobicContact CB-CD2 3.95Å; Q360-Y436 HydrophobicContact CB-CE1 4.26Å; Q360-Y436 HydrophobicContact CB-CE2 3.42Å; Q360-Y436 VanDerWaalsContact CB-CE2 3.42Å; Q360-Y436 HydrophobicContact CG-CE1 4.44Å; Q360-Y436 HydrophobicContact CG-CE2 3.99Å; Q360-Y436 WeakPolarHBondContact CG-OH 3.36Å; Q360-Y436 PolarHBondContact N-O 3.31Å; Q360-Y436 PolarHBondContact O-N 3.22Å; Q360-F489 HydrophobicContact CB-CD2 4.2Å; Q360-F489 HydrophobicContact CB-CE2 4.38Å; Q360-R498 HydrophobicContact CG-CG 4.04Å; Q360-G499 PolarHBondContact NE2-O 3.27Å; Q360-P500 PolarHBondContact NE2-O 3.17Å; Q360-E501 VanDerWaalsContact NE2-N 3.12Å
361	Q	97.8	Very high	96.1	Very high	72 Å²	72	33.2 Å²	33.2	34%	0.336	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.5	168.4	-174.7	174.7	-2.8	0	0	109.5	I433 E434 G499 P500 V502	Q361-I433 HydrophobicContact CB-CD1 4.47Å; Q361-I433 HydrophobicContact CG-CD1 4.31Å; Q361-E434 WeakPolarHBondContact CG-O 3.19Å; Q361-G499 WeakPolarHBondContact O-CA 3.36Å; Q361-G499 PolarHBondContact O-N 2.96Å; Q361-P500 WeakPolarHBondContact CB-O 3.36Å; Q361-P500 PolarHBondContact N-O 2.84Å; Q361-V502 HydrophobicContact CB-CG2 3.88Å
362	C	98.2	Very high	95.7	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.02	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.3	171	-171.6	0	0	0	0	109.3	Q364 T367 E434 Y436 F497	C362-Q364 PolarHBondContact O-N 2.82Å; C362-Q364 PolarHBondContact SG-O 3.18Å; C362-T367 HydrophobicContact CB-CG2 3.5Å; C362-T367 VanDerWaalsContact CB-CG2 3.5Å; C362-E434 HydrophobicContact CB-CB 4.08Å; C362-E434 PolarHBondContact N-O 2.68Å; C362-Y436 HydrophobicContact CB-CD1 3.9Å; C362-Y436 HydrophobicContact CB-CE1 4.19Å; C362-F497 CarbonylContact C-O 3.57Å; C362-F497 VanDerWaalsContact CA-O 3.3Å; C362-F497 WeakPolarHBondContact CA-O 3.49Å
363	S	97.4	Very high	95.4	Very high	73 Å²	73	38.5 Å²	38.5	51%	0.51	20%	0.197	S	C	.	.	S	Bend	trans	-72	-18.7	178.3	60.2	0	0	0	0	113	P496 F497	S363-P496 PolarHBondContact OG-O 3.48Å; S363-P496 VanDerWaalsContact OG-O 3.08Å; S363-F497 PolarHBondContact N-O 2.97Å; S363-F497 VanDerWaalsContact OG-C 3.31Å; S363-F497 WeakPolarHBondContact OG-CA 3.37Å; S363-F497 PolarHBondContact OG-O 3.38Å
364	Q	96.8	Very high	95.2	Very high	69 Å²	69	42.8 Å²	42.8	32%	0.322	23%	0.225	S	C	.	.	S	Bend	trans	-111.6	148.3	-177.3	-59.3	-172.8	21.9	0	0	112	C362 I366 P496 F497	C362-Q364 PolarHBondContact O-N 2.82Å; C362-Q364 PolarHBondContact SG-O 3.18Å; Q364-I366 HydrophobicContact CB-CD1 4.26Å; Q364-I366 HydrophobicContact CB-CG1 4.08Å; Q364-I366 HydrophobicContact CB-CG2 4.13Å; Q364-I366 PolarHBondContact O-N 2.97Å; Q364-P496 PolarHBondContact NE2-O 3.33Å; Q364-F497 HydrophobicContact CG-CD1 4.38Å
365	P	95.8	Very high	95.2	Very high	107 Å²	107	50.2 Å²	50.2	70%	0.695	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	55.3	-179.3	36.5	-37.6	0	0	0	112.2
366	I	94.9	Very high	95.2	Very high	48 Å²	48	51.8 Å²	51.8	25%	0.246	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-5	-173.5	62	173.9	0	0	0	113.2	H212 P213 L214 Q364 F497	H212-I366 PolarHBondContact NE2-O 2.8Å; P213-I366 HydrophobicContact CG-CD1 4.12Å; L214-I366 HydrophobicContact CD1-CD1 4.36Å; L214-I366 HydrophobicContact CD1-CG1 4.47Å; L214-I366 HydrophobicContact CD2-CD1 4.18Å; L214-I366 HydrophobicContact CG-CD1 4Å; Q364-I366 HydrophobicContact CB-CD1 4.26Å; Q364-I366 HydrophobicContact CB-CG1 4.08Å; Q364-I366 HydrophobicContact CB-CG2 4.13Å; Q364-I366 PolarHBondContact O-N 2.97Å; I366-F497 HydrophobicContact CD1-CD1 3.51Å; I366-F497 HydrophobicContact CD1-CE1 3.57Å
367	T	96	Very high	95.2	Very high	11 Å²	11	55.1 Å²	55.1	7%	0.067	28%	0.281	C	S	.	.	S	Bend	trans	-83.5	178.8	-175.6	79.7	0	0	0	0	111.7	L214 C362 Y369 P420 E434 A435	L214-T367 HydrophobicContact CD1-CG2 4.18Å; C362-T367 HydrophobicContact CB-CG2 3.5Å; C362-T367 VanDerWaalsContact CB-CG2 3.5Å; T367-Y369 PolarHBondContact O-N 2.73Å; T367-Y369 VanDerWaalsContact O-N 3.13Å; T367-Y369 WeakPolarHBondContact OG1-CB 3.15Å; T367-Y369 PolarHBondContact OG1-N 3.1Å; T367-P420 WeakPolarHBondContact CB-O 3.38Å; T367-E434 VanDerWaalsContact CB-OE2 3.24Å; T367-E434 WeakPolarHBondContact CB-OE2 3.26Å; T367-E434 HydrophobicContact CG2-CB 4.35Å; T367-E434 WeakPolarHBondContact CG2-OE2 3.39Å; T367-E434 PolarHBondContact N-OE2 2.82Å; T367-E434 PolarHBondContact OG1-OE2 3.45Å; T367-A435 WeakPolarHBondContact CG2-O 3.45Å
368	L	93.3	Very high	95.2	Very high	15 Å²	15	58.1 Å²	58.1	8%	0.079	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-0.9	175.1	-57.9	-178.6	0	0	0	114.2	K370 A371 Q372 Y391 H396 P420	L368-K370 VanDerWaalsContact C-N 3.32Å; L368-K370 PolarHBondContact O-N 2.91Å; L368-A371 WeakPolarHBondContact O-CB 3.49Å; L368-A371 PolarHBondContact O-N 3.05Å; L368-Q372 PolarHBondContact O-N 3.19Å; L368-Y391 HydrophobicContact CD2-CD1 3.83Å; L368-Y391 HydrophobicContact CD2-CE1 3.74Å; L368-H396 HydrophobicContact CD1-CB 3.63Å; L368-H396 VanDerWaalsContact CD1-CG 3.44Å; L368-P420 HydrophobicContact CG-CG 4.45Å; L368-P420 WeakPolarHBondContact CG-O 3.29Å; L368-P420 PolarHBondContact N-O 3.41Å
369	Y	94	Very high	95.2	Very high	59 Å²	59	64.3 Å²	64.3	23%	0.231	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-45.2	-179.9	174.6	-112.6	0	0	0	113.2	T367 A371 Q372 K373 S431 K432 I433 E434	T367-Y369 PolarHBondContact O-N 2.73Å; T367-Y369 VanDerWaalsContact O-N 3.13Å; T367-Y369 WeakPolarHBondContact OG1-CB 3.15Å; T367-Y369 PolarHBondContact OG1-N 3.1Å; Y369-A371 VanDerWaalsContact C-N 3.35Å; Y369-A371 PolarHBondContact O-N 2.94Å; Y369-Q372 PolarHBondContact O-N 3.03Å; Y369-K373 VanDerWaalsContact CE2-NZ 3.25Å; Y369-K373 PolarHBondContact OH-NZ 2.76Å; Y369-S431 VanDerWaalsContact CE2-O 3.25Å; Y369-S431 WeakPolarHBondContact CE2-O 3.45Å; Y369-K432 WeakPolarHBondContact CE2-O 3.11Å; Y369-K432 PolarHBondContact OH-O 2.78Å; Y369-I433 WeakPolarHBondContact CD2-O 3.48Å; Y369-E434 HydrophobicContact CD1-CG 4.16Å; Y369-E434 WeakPolarHBondContact CD1-OE1 3.5Å
370	K	93.2	Very high	95.2	Very high	120 Å²	120	65.5 Å²	65.5	52%	0.522	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-34	177.8	-173.8	175.2	177.3	179.8	0	112.5	L368 Q372 K373 H376	L368-K370 VanDerWaalsContact C-N 3.32Å; L368-K370 PolarHBondContact O-N 2.91Å; K370-Q372 PolarHBondContact O-N 2.96Å; K370-K373 WeakPolarHBondContact O-CB 3.32Å; K370-K373 WeakPolarHBondContact O-CG 3.16Å; K370-K373 PolarHBondContact O-N 2.94Å; K370-K373 VanDerWaalsContact O-N 3.15Å; K370-H376 WeakPolarHBondContact CE-CE1 3.3Å; K370-H376 WeakPolarHBondContact CE-NE2 3.33Å; K370-H376 PolarHBondContact O-ND1 3.15Å
371	A	92.1	Very high	95.1	Very high	18 Å²	18	65.4 Å²	65.4	15%	0.149	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.9	-180	0	0	0	0	0	112.3	L368 Y369 K373 M377 I380 Y391	L368-A371 WeakPolarHBondContact O-CB 3.49Å; L368-A371 PolarHBondContact O-N 3.05Å; Y369-A371 VanDerWaalsContact C-N 3.35Å; Y369-A371 PolarHBondContact O-N 2.94Å; A371-K373 PolarHBondContact O-N 2.72Å; A371-M377 VanDerWaalsContact O-CG 3.27Å; A371-M377 WeakPolarHBondContact O-CG 3.46Å; A371-M377 PolarHBondContact O-N 2.95Å; A371-I380 HydrophobicContact CB-CD1 3.82Å; A371-Y391 HydrophobicContact CB-CD1 4.34Å
372	Q	89.9	Confident	95.1	Very high	61 Å²	61	66.5 Å²	66.5	29%	0.285	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.5	177.1	-63.4	178.3	16.5	0	0	114.1	L368 Y369 K370 M377 S421 S431	L368-Q372 PolarHBondContact O-N 3.19Å; Y369-Q372 PolarHBondContact O-N 3.03Å; K370-Q372 PolarHBondContact O-N 2.96Å; Q372-M377 WeakPolarHBondContact O-CE 3.48Å; Q372-S421 PolarHBondContact NE2-OG 2.55Å; Q372-S431 PolarHBondContact NE2-OG 3.03Å; Q372-S431 VanDerWaalsContact OE1-CB 3.31Å; Q372-S431 PolarHBondContact OE1-OG 2.77Å; Q372-S431 VanDerWaalsContact OE1-OG 3.06Å
373	K	91.8	Very high	95.1	Very high	77 Å²	77	69.3 Å²	69.3	34%	0.335	36%	0.359	S	S	.	.	S	Bend	trans	-75.7	141	176.7	-57	-54.2	-178.7	-171.4	0	110.4	Y369 K370 A371 F375 H376 M377	Y369-K373 VanDerWaalsContact CE2-NZ 3.25Å; Y369-K373 PolarHBondContact OH-NZ 2.76Å; K370-K373 WeakPolarHBondContact O-CB 3.32Å; K370-K373 WeakPolarHBondContact O-CG 3.16Å; K370-K373 PolarHBondContact O-N 2.94Å; K370-K373 VanDerWaalsContact O-N 3.15Å; A371-K373 PolarHBondContact O-N 2.72Å; K373-F375 VanDerWaalsContact C-N 3.31Å; K373-F375 PolarHBondContact O-N 3.38Å; K373-F375 VanDerWaalsContact O-N 3.09Å; K373-H376 PolarHBondContact O-N 3.17Å; K373-M377 PolarHBondContact O-N 2.79Å
374	P	93.1	Very high	95.1	Very high	92 Å²	92	65.9 Å²	65.9	60%	0.597	34%	0.335	S	S	*	.	H	α-helix	trans	-49.2	-45.1	-171.2	-31.5	35.5	0	0	0	115.3	H376 M377 V378	P374-H376 PolarHBondContact O-N 3.37Å; P374-M377 HydrophobicContact CB-CE 4.43Å; P374-M377 HydrophobicContact CG-CE 4.35Å; P374-M377 PolarHBondContact O-N 2.93Å; P374-V378 WeakPolarHBondContact O-CG2 3.02Å; P374-V378 PolarHBondContact O-N 2.82Å
375	F	95.7	Very high	95.1	Very high	157 Å²	157	65.2 Å²	65.2	69%	0.689	33%	0.334	S	S	*	.	H	α-helix	trans	-60.6	-43.1	177.8	178	-100.2	0	0	0	113	K373 V378 K379	K373-F375 VanDerWaalsContact C-N 3.31Å; K373-F375 PolarHBondContact O-N 3.38Å; K373-F375 VanDerWaalsContact O-N 3.09Å; F375-V378 PolarHBondContact O-N 2.99Å; F375-K379 PolarHBondContact O-N 3.27Å; F375-K379 VanDerWaalsContact O-N 3.15Å
376	H	95.4	Very high	95.2	Very high	55 Å²	55	66.4 Å²	66.4	26%	0.255	33%	0.333	S	S	.	.	H	α-helix	trans	-71.4	-39.9	178.3	-64.7	92.5	0	0	0	111.2	K370 K373 P374 V378 K379 I380	K370-H376 WeakPolarHBondContact CE-CE1 3.3Å; K370-H376 WeakPolarHBondContact CE-NE2 3.33Å; K370-H376 PolarHBondContact O-ND1 3.15Å; K373-H376 PolarHBondContact O-N 3.17Å; P374-H376 PolarHBondContact O-N 3.37Å; H376-V378 VanDerWaalsContact C-N 3.3Å; H376-V378 PolarHBondContact O-N 2.96Å; H376-K379 PolarHBondContact O-N 3.31Å; H376-K379 VanDerWaalsContact O-N 3.15Å; H376-I380 WeakPolarHBondContact O-CB 3.25Å; H376-I380 WeakPolarHBondContact O-CD1 3.18Å; H376-I380 WeakPolarHBondContact O-CG1 3.48Å; H376-I380 PolarHBondContact O-N 3.09Å
377	M	94.9	Very high	95.2	Very high	70 Å²	70	70.3 Å²	70.3	35%	0.345	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-41.9	174.6	-67.7	-167.2	-66.1	0	0	111.9	A371 Q372 K373 P374 I380 G381	A371-M377 VanDerWaalsContact O-CG 3.27Å; A371-M377 WeakPolarHBondContact O-CG 3.46Å; A371-M377 PolarHBondContact O-N 2.95Å; Q372-M377 WeakPolarHBondContact O-CE 3.48Å; K373-M377 PolarHBondContact O-N 2.79Å; P374-M377 HydrophobicContact CB-CE 4.43Å; P374-M377 HydrophobicContact CG-CE 4.35Å; P374-M377 PolarHBondContact O-N 2.93Å; M377-I380 PolarHBondContact O-N 3.15Å; M377-G381 PolarHBondContact O-N 3.17Å
378	V	96.1	Very high	95.3	Very high	92 Å²	92	71.9 Å²	71.9	56%	0.558	36%	0.355	S	S	*	.	H	α-helix	trans	-62.6	-46.7	174.9	171.8	0	0	0	0	110.9	P374 F375 H376 I380 G381 L382	P374-V378 WeakPolarHBondContact O-CG2 3.02Å; P374-V378 PolarHBondContact O-N 2.82Å; F375-V378 PolarHBondContact O-N 2.99Å; H376-V378 VanDerWaalsContact C-N 3.3Å; H376-V378 PolarHBondContact O-N 2.96Å; V378-I380 PolarHBondContact O-N 3.47Å; V378-G381 PolarHBondContact O-N 2.72Å; V378-L382 HydrophobicContact CG1-CD1 3.92Å; V378-L382 HydrophobicContact CG1-CG 4.35Å; V378-L382 WeakPolarHBondContact O-CB 3.25Å; V378-L382 VanDerWaalsContact O-CG 3.31Å; V378-L382 WeakPolarHBondContact O-CG 3.34Å; V378-L382 PolarHBondContact O-N 3.32Å
379	K	97.4	Very high	95.4	Very high	131 Å²	131	73.8 Å²	73.8	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-59.9	-47.1	177.6	-176.2	-178.7	176	-176.7	0	111.9	F375 H376 L382 E383	F375-K379 PolarHBondContact O-N 3.27Å; F375-K379 VanDerWaalsContact O-N 3.15Å; H376-K379 PolarHBondContact O-N 3.31Å; H376-K379 VanDerWaalsContact O-N 3.15Å; K379-L382 PolarHBondContact O-N 3.23Å; K379-E383 WeakPolarHBondContact O-CB 3.44Å; K379-E383 PolarHBondContact O-N 2.99Å
380	I	96.7	Very high	95.4	Very high	28 Å²	28	72.6 Å²	72.6	14%	0.144	37%	0.374	C	S	.	.	H	α-helix	trans	-61.2	-46.1	178.4	-68.8	165.7	0	0	0	110.3	A371 H376 M377 V378 E383 W384 Y391	A371-I380 HydrophobicContact CB-CD1 3.82Å; H376-I380 WeakPolarHBondContact O-CB 3.25Å; H376-I380 WeakPolarHBondContact O-CD1 3.18Å; H376-I380 WeakPolarHBondContact O-CG1 3.48Å; H376-I380 PolarHBondContact O-N 3.09Å; M377-I380 PolarHBondContact O-N 3.15Å; V378-I380 PolarHBondContact O-N 3.47Å; I380-E383 PolarHBondContact O-N 3.26Å; I380-W384 WeakPolarHBondContact O-CB 3.43Å; I380-W384 PolarHBondContact O-N 3.42Å; I380-Y391 HydrophobicContact CD1-CG 4.47Å
381	G	96.9	Very high	95.4	Very high	15 Å²	15	72.6 Å²	72.6	16%	0.155	37%	0.371	C	S	.	.	H	α-helix	trans	-60.9	-45.3	177.3	0	0	0	0	0	112.2	M377 V378 W384 L385	M377-G381 PolarHBondContact O-N 3.17Å; V378-G381 PolarHBondContact O-N 2.72Å; G381-W384 PolarHBondContact O-N 3.25Å; G381-L385 VanDerWaalsContact O-CB 3.28Å; G381-L385 WeakPolarHBondContact O-CB 3.47Å; G381-L385 WeakPolarHBondContact O-CD1 3.48Å; G381-L385 WeakPolarHBondContact O-CG 3.42Å; G381-L385 PolarHBondContact O-N 2.87Å
382	L	97.4	Very high	95.6	Very high	96 Å²	96	71.8 Å²	71.8	50%	0.503	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-45	177.3	-73.1	173.6	0	0	0	112.2	V378 K379 W384 L385 L386	V378-L382 HydrophobicContact CG1-CD1 3.92Å; V378-L382 HydrophobicContact CG1-CG 4.35Å; V378-L382 WeakPolarHBondContact O-CB 3.25Å; V378-L382 VanDerWaalsContact O-CG 3.31Å; V378-L382 WeakPolarHBondContact O-CG 3.34Å; V378-L382 PolarHBondContact O-N 3.32Å; K379-L382 PolarHBondContact O-N 3.23Å; L382-W384 PolarHBondContact O-N 2.82Å; L382-L385 PolarHBondContact O-N 3.02Å; L382-L386 WeakPolarHBondContact O-CB 3.32Å; L382-L386 VanDerWaalsContact O-CG 3.24Å; L382-L386 WeakPolarHBondContact O-CG 3.19Å; L382-L386 PolarHBondContact O-N 2.69Å
383	E	97.8	Very high	95.9	Very high	62 Å²	62	69.7 Å²	69.7	29%	0.29	36%	0.357	S	S	.	.	H	α-helix	trans	-57.9	-49.6	176.3	-174.7	-178.2	166.7	0	0	110.8	K379 I380 L385 L386 Q387 T389 G390	K379-E383 WeakPolarHBondContact O-CB 3.44Å; K379-E383 PolarHBondContact O-N 2.99Å; I380-E383 PolarHBondContact O-N 3.26Å; E383-L385 PolarHBondContact O-N 2.93Å; E383-L386 PolarHBondContact O-N 3.09Å; E383-Q387 PolarHBondContact O-N 2.83Å; E383-T389 PolarHBondContact OE1-OG1 3.32Å; E383-T389 VanDerWaalsContact OE1-OG1 3.13Å; E383-G390 VanDerWaalsContact OE1-CA 3.27Å; E383-G390 WeakPolarHBondContact OE1-CA 3.09Å; E383-G390 PolarHBondContact OE1-N 3.19Å
384	W	98	Very high	96	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-42.1	178.5	-173.5	90.7	0	0	0	112.3	V98 W102 H105 M106 G251 K252 I380 G381 L382 L386 Y388	V98-W384 HydrophobicContact CG1-CH2 4.1Å; W102-W384 HydrophobicContact CB-CZ3 3.99Å; H105-W384 HydrophobicContact CB-CH2 3.94Å; H105-W384 HydrophobicContact CB-CZ2 4.21Å; H105-W384 WeakPolarHBondContact O-CZ2 3.21Å; M106-W384 HydrophobicContact CB-CD2 3.92Å; M106-W384 HydrophobicContact CB-CE3 4.2Å; M106-W384 HydrophobicContact CB-CG 4.49Å; M106-W384 HydrophobicContact CB-CH2 4.18Å; M106-W384 HydrophobicContact CB-CZ2 3.89Å; M106-W384 HydrophobicContact CB-CZ3 4.32Å; M106-W384 HydrophobicContact CE-CB 3.9Å; M106-W384 HydrophobicContact CE-CD2 3.71Å; M106-W384 HydrophobicContact CE-CE3 3.55Å; M106-W384 HydrophobicContact CE-CG 3.86Å; M106-W384 HydrophobicContact CE-CZ3 4.36Å; M106-W384 HydrophobicContact CG-CD2 3.87Å; M106-W384 HydrophobicContact CG-CE3 4.45Å; M106-W384 HydrophobicContact CG-CG 3.92Å; M106-W384 HydrophobicContact SD-CG 4.46Å; G251-W384 PolarHBondContact O-NE1 3.17Å; K252-W384 HydrophobicContact CG-CZ2 4.08Å; I380-W384 WeakPolarHBondContact O-CB 3.43Å; I380-W384 PolarHBondContact O-N 3.42Å; G381-W384 PolarHBondContact O-N 3.25Å; L382-W384 PolarHBondContact O-N 2.82Å; W384-L386 VanDerWaalsContact C-N 3.26Å; W384-L386 PolarHBondContact O-N 3.42Å; W384-Y388 AromaticContact CD2-CD1 3.88Å; W384-Y388 HydrophobicContact CD2-CD1 3.88Å; W384-Y388 HydrophobicContact CD2-CE1 4.41Å; W384-Y388 AromaticContact CE2-CD1 3.63Å; W384-Y388 HydrophobicContact CE3-CD1 4.12Å; W384-Y388 HydrophobicContact CE3-CE1 4.2Å; W384-Y388 AromaticContact CH2-CD1 3.94Å; W384-Y388 HydrophobicContact CH2-CD1 3.94Å; W384-Y388 AromaticContact CH2-CE1 3.68Å; W384-Y388 HydrophobicContact CH2-CE1 3.68Å; W384-Y388 AromaticContact CZ2-CD1 3.67Å; W384-Y388 HydrophobicContact CZ2-CD1 3.67Å; W384-Y388 AromaticContact CZ2-CE1 3.88Å; W384-Y388 HydrophobicContact CZ2-CE1 3.88Å; W384-Y388 HydrophobicContact CZ3-CD1 4.16Å; W384-Y388 AromaticContact CZ3-CE1 3.85Å; W384-Y388 HydrophobicContact CZ3-CE1 3.85Å; W384-Y388 VanDerWaalsContact O-CA 3.3Å; W384-Y388 WeakPolarHBondContact O-CA 3.4Å; W384-Y388 WeakPolarHBondContact O-CD1 3.45Å; W384-Y388 PolarHBondContact O-N 3.12Å
385	L	97.1	Very high	95.9	Very high	56 Å²	56	63 Å²	63	29%	0.293	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-34.1	177.9	-75.8	168.6	0	0	0	112	R99 G381 L382 E383	R99-L385 HydrophobicContact CB-CD2 3.78Å; R99-L385 WeakPolarHBondContact CD-O 2.91Å; R99-L385 HydrophobicContact CG-CD2 4.24Å; R99-L385 PolarHBondContact NE-O 3.49Å; G381-L385 VanDerWaalsContact O-CB 3.28Å; G381-L385 WeakPolarHBondContact O-CB 3.47Å; G381-L385 WeakPolarHBondContact O-CD1 3.48Å; G381-L385 WeakPolarHBondContact O-CG 3.42Å; G381-L385 PolarHBondContact O-N 2.87Å; L382-L385 PolarHBondContact O-N 3.02Å; E383-L385 PolarHBondContact O-N 2.93Å
386	L	96.6	Very high	95.9	Very high	131 Å²	131	56.3 Å²	56.3	69%	0.686	29%	0.294	S	S	*	.	H	α-helix	trans	-84.3	-44.1	-179.4	-66.3	172.4	0	0	0	112.1	L382 E383 W384	L382-L386 WeakPolarHBondContact O-CB 3.32Å; L382-L386 VanDerWaalsContact O-CG 3.24Å; L382-L386 WeakPolarHBondContact O-CG 3.19Å; L382-L386 PolarHBondContact O-N 2.69Å; E383-L386 PolarHBondContact O-N 3.09Å; W384-L386 VanDerWaalsContact C-N 3.26Å; W384-L386 PolarHBondContact O-N 3.42Å
387	Q	96.8	Very high	95.8	Very high	131 Å²	131	54.4 Å²	54.4	61%	0.612	29%	0.285	S	S	*	.	H	α-helix	trans	-123.9	-13.4	-163.9	-63.2	-179.7	-21.1	0	0	114.6	E383 T389	E383-Q387 PolarHBondContact O-N 2.83Å; Q387-T389 HydrophobicContact CB-CG2 4.12Å; Q387-T389 WeakPolarHBondContact CB-OG1 3.39Å; Q387-T389 PolarHBondContact O-N 2.78Å; Q387-T389 PolarHBondContact OE1-OG1 2.99Å
388	Y	96.8	Very high	95.8	Very high	43 Å²	43	51.1 Å²	51.1	17%	0.169	27%	0.269	C	S	.	.	S	Bend	trans	55.8	37.6	-168.9	-53.7	-54.3	0	0	0	113.3	V98 R99 E250 G251 K252 W384	V98-Y388 HydrophobicContact CG1-CE1 4.39Å; R99-Y388 HydrophobicContact CG-CE1 4.07Å; R99-Y388 VanDerWaalsContact CG-OH 3.29Å; R99-Y388 WeakPolarHBondContact CG-OH 3.35Å; R99-Y388 PolarHBondContact NE-OH 2.98Å; E250-Y388 WeakPolarHBondContact O-CB 3.14Å; G251-Y388 WeakPolarHBondContact CA-O 3.32Å; K252-Y388 HydrophobicContact CD-CD1 4.49Å; K252-Y388 HydrophobicContact CD-CD2 4.19Å; K252-Y388 HydrophobicContact CD-CE1 4.5Å; K252-Y388 HydrophobicContact CD-CE2 4.19Å; K252-Y388 HydrophobicContact CD-CG 4.34Å; K252-Y388 HydrophobicContact CG-CD1 4.12Å; K252-Y388 HydrophobicContact CG-CE1 4.39Å; K252-Y388 HydrophobicContact CG-CG 4.19Å; W384-Y388 AromaticContact CD2-CD1 3.88Å; W384-Y388 HydrophobicContact CD2-CD1 3.88Å; W384-Y388 HydrophobicContact CD2-CE1 4.41Å; W384-Y388 AromaticContact CE2-CD1 3.63Å; W384-Y388 HydrophobicContact CE3-CD1 4.12Å; W384-Y388 HydrophobicContact CE3-CE1 4.2Å; W384-Y388 AromaticContact CH2-CD1 3.94Å; W384-Y388 HydrophobicContact CH2-CD1 3.94Å; W384-Y388 AromaticContact CH2-CE1 3.68Å; W384-Y388 HydrophobicContact CH2-CE1 3.68Å; W384-Y388 AromaticContact CZ2-CD1 3.67Å; W384-Y388 HydrophobicContact CZ2-CD1 3.67Å; W384-Y388 AromaticContact CZ2-CE1 3.88Å; W384-Y388 HydrophobicContact CZ2-CE1 3.88Å; W384-Y388 HydrophobicContact CZ3-CD1 4.16Å; W384-Y388 AromaticContact CZ3-CE1 3.85Å; W384-Y388 HydrophobicContact CZ3-CE1 3.85Å; W384-Y388 VanDerWaalsContact O-CA 3.3Å; W384-Y388 WeakPolarHBondContact O-CA 3.4Å; W384-Y388 WeakPolarHBondContact O-CD1 3.45Å; W384-Y388 PolarHBondContact O-N 3.12Å
389	T	95.8	Very high	95.8	Very high	56 Å²	56	46.7 Å²	46.7	34%	0.344	24%	0.242	S	C	.	.			trans	-121.6	-179	179	59.2	0	0	0	0	111.7	E383 Q387	E383-T389 PolarHBondContact OE1-OG1 3.32Å; E383-T389 VanDerWaalsContact OE1-OG1 3.13Å; Q387-T389 HydrophobicContact CB-CG2 4.12Å; Q387-T389 WeakPolarHBondContact CB-OG1 3.39Å; Q387-T389 PolarHBondContact O-N 2.78Å; Q387-T389 PolarHBondContact OE1-OG1 2.99Å
390	G	94.2	Very high	95.8	Very high	34 Å²	34	40.5 Å²	40.5	35%	0.351	22%	0.215	S	C	.	.	S	Bend	trans	79.3	-162.3	172.2	0	0	0	0	0	113.8	E383 G392 A393	E383-G390 VanDerWaalsContact OE1-CA 3.27Å; E383-G390 WeakPolarHBondContact OE1-CA 3.09Å; E383-G390 PolarHBondContact OE1-N 3.19Å; G390-G392 PolarHBondContact O-N 2.79Å; G390-G392 VanDerWaalsContact O-N 3.17Å; G390-A393 WeakPolarHBondContact O-CB 3.34Å; G390-A393 PolarHBondContact O-N 3.42Å
391	Y	93.8	Very high	95.9	Very high	120 Å²	120	39.1 Å²	39.1	47%	0.471	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-60.7	-27.7	-176.5	-80.2	-114.7	0	0	0	112.5	A108 L368 A371 I380 A393 H396	A108-Y391 WeakPolarHBondContact CB-O 3.3Å; L368-Y391 HydrophobicContact CD2-CD1 3.83Å; L368-Y391 HydrophobicContact CD2-CE1 3.74Å; A371-Y391 HydrophobicContact CB-CD1 4.34Å; I380-Y391 HydrophobicContact CD1-CG 4.47Å; Y391-A393 PolarHBondContact O-N 3.07Å; Y391-H396 AromaticContact CD1-CE1 3.66Å; Y391-H396 AromaticContact CD1-NE2 3.98Å; Y391-H396 PolarHBondContact O-NE2 3.01Å
392	G	95.5	Very high	95.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66.7	-21.8	177.2	0	0	0	0	0	113.4	M106 P107 A108 G390	M106-G392 WeakPolarHBondContact CG-O 3.17Å; P107-G392 WeakPolarHBondContact CD-O 3.28Å; A108-G392 PolarHBondContact N-O 2.86Å; G390-G392 PolarHBondContact O-N 2.79Å; G390-G392 VanDerWaalsContact O-N 3.17Å
393	A	96	Very high	95.9	Very high	17 Å²	17	33.9 Å²	33.9	14%	0.14	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-89.7	4.5	-169.8	0	0	0	0	0	114.6	G390 Y391	G390-A393 WeakPolarHBondContact O-CB 3.34Å; G390-A393 PolarHBondContact O-N 3.42Å; Y391-A393 PolarHBondContact O-N 3.07Å
394	T	93.6	Very high	95.9	Very high	14 Å²	14	30.9 Å²	30.9	9%	0.086	16%	0.163	C	C	.	.			trans	-133.8	158.5	176.6	-176.2	0	0	0	0	112	P107 A108 T210 H396 E398	P107-T394 CarbonylContact C-O 3.33Å; P107-T394 WeakPolarHBondContact CB-O 3.45Å; A108-T394 PolarHBondContact N-O 3.2Å; T210-T394 HydrophobicContact CG2-CG2 3.74Å; T394-H396 VanDerWaalsContact C-N 3.33Å; T394-H396 WeakPolarHBondContact CG2-CE1 3.44Å; T394-H396 WeakPolarHBondContact CG2-ND1 3.43Å; T394-H396 PolarHBondContact OG1-N 3.29Å; T394-E398 PolarHBondContact OG1-OE1 3.23Å
395	A	92	Very high	95.8	Very high	15 Å²	15	31 Å²	31	12%	0.124	16%	0.164	C	C	.	.			trans	-82.5	-12.6	172	0	0	0	0	0	113.1	A152 M153 M246 I248 L397	A152-A395 WeakPolarHBondContact O-CB 3.35Å; M153-A395 HydrophobicContact CE-CB 3.49Å; M153-A395 VanDerWaalsContact CE-CB 3.49Å; M246-A395 HydrophobicContact SD-CB 4.14Å; I248-A395 HydrophobicContact CD1-CB 4.46Å; A395-L397 PolarHBondContact O-N 3.32Å
396	H	94.4	Very high	95.7	Very high	17 Å²	17	34 Å²	34	8%	0.079	17%	0.171	C	C	.	.	S	Bend	trans	66.2	17.3	-174	-59.2	-73.2	0	0	0	115.8	L368 Y391 T394 E398 L419	L368-H396 HydrophobicContact CD1-CB 3.63Å; L368-H396 VanDerWaalsContact CD1-CG 3.44Å; Y391-H396 AromaticContact CD1-CE1 3.66Å; Y391-H396 AromaticContact CD1-NE2 3.98Å; Y391-H396 PolarHBondContact O-NE2 3.01Å; T394-H396 VanDerWaalsContact C-N 3.33Å; T394-H396 WeakPolarHBondContact CG2-CE1 3.44Å; T394-H396 WeakPolarHBondContact CG2-ND1 3.43Å; T394-H396 PolarHBondContact OG1-N 3.29Å; H396-E398 WeakPolarHBondContact CA-OE1 3.37Å; H396-E398 WeakPolarHBondContact CA-OE2 3.41Å; H396-E398 VanDerWaalsContact O-OE2 3.13Å; H396-L419 HydrophobicContact CB-CD1 3.89Å; H396-L419 VanDerWaalsContact O-CD1 3.29Å; H396-L419 WeakPolarHBondContact O-CD1 3.29Å
397	L	94.1	Very high	95.7	Very high	15 Å²	15	29 Å²	29	8%	0.079	15%	0.152	C	C	.	.			trans	-105.7	50.7	176.7	-65.5	169.8	0	0	0	110.8	A152 V154 A395 S399 H417 L419	A152-L397 HydrophobicContact CB-CD1 3.7Å; V154-L397 HydrophobicContact CG2-CB 3.99Å; V154-L397 HydrophobicContact CG2-CD1 3.78Å; A395-L397 PolarHBondContact O-N 3.32Å; L397-S399 PolarHBondContact O-N 2.84Å; L397-H417 HydrophobicContact CD2-CB 4.16Å; L397-L419 HydrophobicContact CD2-CB 4.16Å; L397-L419 HydrophobicContact CD2-CD1 3.85Å; L397-L419 HydrophobicContact CG-CD1 4.34Å
398	E	94.9	Very high	95.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.			trans	-77.3	-16.5	-172.1	-68.1	82.3	-176.4	0	0	114.6	G208 T210 H215 W243 M244 M246 T394 H396	G208-E398 VanDerWaalsContact CA-CG 3.41Å; T210-E398 HydrophobicContact CG2-CG 4.29Å; T210-E398 WeakPolarHBondContact CG2-OE1 3.39Å; H215-E398 IonicContact CD2-OE2 2.69Å; H215-E398 IonicContact CE1-OE2 3.71Å; H215-E398 PolarHBondContact CE1-OE2 3.29Å; H215-E398 IonicContact NE2-OE2 3.81Å; H215-E398 PolarHBondContact NE2-OE2 2.99Å; W243-E398 WeakPolarHBondContact CA-O 3.47Å; W243-E398 HydrophobicContact CE3-CB 4.37Å; W243-E398 HydrophobicContact CZ3-CB 4.37Å; M244-E398 PolarHBondContact N-O 2.8Å; M246-E398 HydrophobicContact CE-CG 4.03Å; T394-E398 PolarHBondContact OG1-OE1 3.23Å; H396-E398 WeakPolarHBondContact CA-OE1 3.37Å; H396-E398 WeakPolarHBondContact CA-OE2 3.41Å; H396-E398 VanDerWaalsContact O-OE2 3.13Å
399	S	97.2	Very high	95.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.7	-180	67.7	0	0	0	0	112.1	H215 G242 L397 F418	H215-S399 PolarHBondContact ND1-OG 3.46Å; G242-S399 VanDerWaalsContact O-CA 3.29Å; G242-S399 WeakPolarHBondContact O-CA 3.48Å; G242-S399 WeakPolarHBondContact O-CB 3.45Å; L397-S399 PolarHBondContact O-N 2.84Å; S399-F418 WeakPolarHBondContact O-CB 3.44Å; S399-F418 PolarHBondContact O-N 3.27Å
400	G	97.3	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.7	-147.9	179	0	0	0	0	0	109.7	M233 L241 G242 F416	M233-G400 VanDerWaalsContact CE-C 3.45Å; M233-G400 WeakPolarHBondContact CE-O 3.34Å; L241-G400 VanDerWaalsContact CA-O 3.32Å; L241-G400 WeakPolarHBondContact CA-O 3.4Å; G242-G400 PolarHBondContact N-O 3.33Å; G242-G400 PolarHBondContact O-N 2.96Å; G242-G400 VanDerWaalsContact O-N 3.09Å; G400-F416 CarbonylContact C-O 3.59Å; G400-F416 WeakPolarHBondContact CA-O 3.15Å
401	G	97.3	Very high	95.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-172.8	172.1	0	0	0	0	0	114.4	G240 Q415 F416	G240-G401 CarbonylContact O-C 3.51Å; G240-G401 WeakPolarHBondContact O-CA 3.12Å; G401-Q415 CarbonylContact O-C 3.59Å; G401-Q415 WeakPolarHBondContact O-CA 3.38Å; G401-F416 PolarHBondContact N-O 3.32Å; G401-F416 PolarHBondContact O-N 2.71Å
402	F	98.3	Very high	95.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	130.2	-177.9	-65.3	-95.2	0	0	0	110.1	I156 M233 Q238 E239 G240 P412 I414 Q415 M443 S569	I156-F402 HydrophobicContact CD1-CE2 3.96Å; I156-F402 HydrophobicContact CD1-CZ 4.29Å; I156-F402 HydrophobicContact CG1-CE2 4.46Å; I156-F402 HydrophobicContact CG1-CZ 4.31Å; I156-F402 HydrophobicContact CG2-CE2 4.39Å; I156-F402 HydrophobicContact CG2-CZ 3.86Å; M233-F402 HydrophobicContact CB-CE2 4.41Å; M233-F402 HydrophobicContact CG-CD2 4.49Å; M233-F402 HydrophobicContact SD-CD2 4.28Å; M233-F402 HydrophobicContact SD-CE2 4.12Å; Q238-F402 HydrophobicContact CG-CB 4.07Å; Q238-F402 HydrophobicContact CG-CD1 4.42Å; Q238-F402 HydrophobicContact CG-CD2 3.54Å; Q238-F402 HydrophobicContact CG-CE2 4.06Å; Q238-F402 HydrophobicContact CG-CG 3.76Å; E239-F402 CarbonylContact C-O 3.6Å; E239-F402 WeakPolarHBondContact CA-O 3.41Å; G240-F402 PolarHBondContact N-O 3.2Å; G240-F402 PolarHBondContact O-N 2.98Å; F402-P412 HydrophobicContact CB-CB 3.78Å; F402-P412 HydrophobicContact CB-CG 3.84Å; F402-I414 CarbonylContact C-O 3.57Å; F402-I414 WeakPolarHBondContact CA-O 3.41Å; F402-Q415 HydrophobicContact CD1-CB 3.89Å; F402-Q415 HydrophobicContact CD1-CG 4.06Å; F402-Q415 HydrophobicContact CE1-CB 3.57Å; F402-Q415 HydrophobicContact CE1-CG 3.45Å; F402-Q415 VanDerWaalsContact CE1-CG 3.45Å; F402-Q415 HydrophobicContact CE2-CG 4.29Å; F402-Q415 HydrophobicContact CZ-CB 4.24Å; F402-Q415 VanDerWaalsContact CZ-CD 3.5Å; F402-Q415 HydrophobicContact CZ-CG 3.57Å; F402-M443 HydrophobicContact CE1-CG 4.4Å; F402-S569 WeakPolarHBondContact CE1-O 3.24Å
403	I	97.6	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	166.1	173.6	78.3	-170.6	0	0	0	110	Y227 L241 P412 D413 I414 F416 L484	Y227-I403 HydrophobicContact CD1-CB 4.05Å; Y227-I403 HydrophobicContact CD1-CD1 4.37Å; Y227-I403 HydrophobicContact CD1-CG2 3.73Å; Y227-I403 HydrophobicContact CE1-CB 4.17Å; Y227-I403 HydrophobicContact CE1-CD1 3.84Å; Y227-I403 HydrophobicContact CE1-CG1 4.44Å; Y227-I403 HydrophobicContact CE1-CG2 4.22Å; Y227-I403 HydrophobicContact CE2-CD1 4.32Å; Y227-I403 HydrophobicContact CG-CG2 3.95Å; L241-I403 HydrophobicContact CD2-CG2 4.26Å; I403-P412 VanDerWaalsContact C-CB 3.47Å; I403-P412 WeakPolarHBondContact O-CA 3.31Å; I403-P412 WeakPolarHBondContact O-CB 3.35Å; I403-D413 PolarHBondContact O-N 3.43Å; I403-I414 HydrophobicContact CG1-CB 4.18Å; I403-I414 PolarHBondContact N-O 3.37Å; I403-I414 PolarHBondContact O-N 3.43Å; I403-F416 HydrophobicContact CB-CE2 4.43Å; I403-F416 HydrophobicContact CD1-CE2 3.48Å; I403-F416 VanDerWaalsContact CD1-CE2 3.48Å; I403-F416 HydrophobicContact CD1-CZ 3.56Å; I403-F416 HydrophobicContact CG1-CE2 3.68Å; I403-F416 HydrophobicContact CG1-CZ 4.2Å; I403-F416 HydrophobicContact CG2-CE2 4.17Å; I403-L484 HydrophobicContact CD1-CB 4.2Å; I403-L484 HydrophobicContact CD1-CD1 4.01Å
404	R	97	Very high	95.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.119	C	C	.	.			trans	-81.3	141	171	-67.6	178	-72.3	153.6	4.2	110.5	E239 R406 V409 P412 D413 S605 T608 Q609	E239-R404 IonicContact OE1-CZ 3.74Å; E239-R404 IonicContact OE1-NE 3.91Å; E239-R404 PolarHBondContact OE1-NE 3.16Å; E239-R404 IonicContact OE1-NH2 2.83Å; E239-R404 IonicContact OE2-NE 2.78Å; R404-R406 VanDerWaalsContact C-N 3.31Å; R404-V409 HydrophobicContact CB-CB 4.36Å; R404-V409 WeakPolarHBondContact CD-O 3.36Å; R404-V409 HydrophobicContact CG-CB 4.27Å; R404-P412 HydrophobicContact CG-CB 4.38Å; R404-D413 VanDerWaalsContact CA-OD1 3.3Å; R404-D413 WeakPolarHBondContact CA-OD1 3.22Å; R404-S605 PolarHBondContact NH1-O 3.44Å; R404-T608 PolarHBondContact NH1-O 3.35Å; R404-T608 PolarHBondContact NH2-O 2.9Å; R404-T608 VanDerWaalsContact NH2-O 3.14Å; R404-Q609 HydrophobicContact CB-CG 4.39Å; R404-Q609 VanDerWaalsContact NH2-C 3.34Å; R404-Q609 PolarHBondContact NH2-O 2.82Å; R404-Q609 WeakPolarHBondContact O-CG 3.45Å; R404-Q609 PolarHBondContact O-NE2 3.02Å
405	S	96.3	Very high	96	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.021	12%	0.115	C	C	.	.	S	Bend	trans	-67.7	-33	176	61.3	0	0	0	0	112	D413 Q609	S405-D413 WeakPolarHBondContact CB-OD1 3.37Å; S405-D413 WeakPolarHBondContact CB-OD2 3.45Å; S405-D413 PolarHBondContact N-OD1 2.97Å; S405-D413 PolarHBondContact OG-OD1 2.78Å; S405-D413 PolarHBondContact OG-OD2 3.33Å; S405-Q609 PolarHBondContact O-NE2 2.9Å
406	R	95.4	Very high	96.3	Very high	117 Å²	117	16.7 Å²	16.7	44%	0.442	11%	0.11	S	C	.	.	S	Bend	trans	-158.2	174	177.9	54.5	173.2	-178.7	-128.9	2.6	111.9	R404 V409 W476	R404-R406 VanDerWaalsContact C-N 3.31Å; R406-V409 HydrophobicContact CG-CG2 3.83Å; R406-W476 HydrophobicContact CB-CH2 3.87Å; R406-W476 HydrophobicContact CG-CH2 3.7Å; R406-W476 HydrophobicContact CG-CZ3 4.3Å
407	G	95.4	Very high	96.5	Very high	27 Å²	27	16.4 Å²	16.4	28%	0.278	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	150.4	161.7	0	0	0	0	0	111.6	L606	G407-L606 CarbonylContact C-O 3.23Å; G407-L606 WeakPolarHBondContact CA-O 3.37Å
408	G	94.8	Very high	96.6	Very high	60 Å²	60	15.7 Å²	15.7	62%	0.619	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.5	-11.4	-179.8	0	0	0	0	0	114.5	L606	G408-L606 PolarHBondContact N-O 3.5Å
409	V	94.6	Very high	96.7	Very high	20 Å²	20	16.6 Å²	16.6	12%	0.121	11%	0.109	C	C	.	.			trans	-79	125	176.1	-171.3	0	0	0	0	109.6	R404 R406 H411 D413 L606	R404-V409 HydrophobicContact CB-CB 4.36Å; R404-V409 WeakPolarHBondContact CD-O 3.36Å; R404-V409 HydrophobicContact CG-CB 4.27Å; R406-V409 HydrophobicContact CG-CG2 3.83Å; V409-H411 VanDerWaalsContact C-N 3.33Å; V409-H411 WeakPolarHBondContact CG1-O 3.29Å; V409-H411 PolarHBondContact O-N 3.27Å; V409-D413 HydrophobicContact CG1-CB 4.36Å; V409-L606 WeakPolarHBondContact O-CD2 3.39Å
410	A	93.1	Very high	96.6	Very high	65 Å²	65	16.6 Å²	16.6	54%	0.537	11%	0.109	S	C	.	.	S	Bend	trans	-64.1	-32.3	-172.2	0	0	0	0	0	114.5
411	H	95.6	Very high	96.4	Very high	17 Å²	17	16.8 Å²	16.8	8%	0.079	11%	0.111	C	C	.	.	S	Bend	trans	-152.9	158.6	-179.9	64.7	-81.7	0	0	0	109.8	H159 D162 V409 D413 R444	H159-H411 VanDerWaalsContact CB-CD2 3.49Å; H159-H411 WeakPolarHBondContact CB-CD2 3.24Å; H159-H411 WeakPolarHBondContact CE1-CB 3.38Å; H159-H411 AromaticContact CE1-CG 3.92Å; H159-H411 AromaticContact CG-CD2 3.41Å; H159-H411 VanDerWaalsContact CG-CD2 3.41Å; H159-H411 AromaticContact CG-CG 3.93Å; H159-H411 WeakPolarHBondContact ND1-CB 3.38Å; H159-H411 AromaticContact ND1-CD2 3.36Å; H159-H411 PolarHBondContact ND1-CD2 3.05Å; H159-H411 AromaticContact ND1-CG 3.49Å; D162-H411 IonicContact OD1-CD2 3.13Å; D162-H411 IonicContact OD1-CE1 2.75Å; D162-H411 IonicContact OD1-NE2 3.32Å; D162-H411 PolarHBondContact OD1-NE2 3.37Å; V409-H411 VanDerWaalsContact C-N 3.33Å; V409-H411 WeakPolarHBondContact CG1-O 3.29Å; V409-H411 PolarHBondContact O-N 3.27Å; H411-D413 PolarHBondContact O-N 2.87Å; H411-R444 PolarHBondContact CD2-NH1 2.83Å; H411-R444 VanDerWaalsContact NE2-CZ 3.31Å; H411-R444 PolarHBondContact NE2-NH1 3.32Å; H411-R444 VanDerWaalsContact NE2-NH1 3.14Å; H411-R444 PolarHBondContact O-NH2 3.35Å
412	P	96.9	Very high	96.2	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	11%	0.114	C	C	.	.			trans	-60.9	134.1	-170.1	28.3	-38.6	0	0	0	112.4	E239 F402 I403 R404 R444	E239-P412 HydrophobicContact CB-CB 4.41Å; E239-P412 HydrophobicContact CB-CG 3.94Å; E239-P412 HydrophobicContact CG-CB 4.29Å; E239-P412 HydrophobicContact CG-CG 4.35Å; F402-P412 HydrophobicContact CB-CB 3.78Å; F402-P412 HydrophobicContact CB-CG 3.84Å; I403-P412 VanDerWaalsContact C-CB 3.47Å; I403-P412 WeakPolarHBondContact O-CA 3.31Å; I403-P412 WeakPolarHBondContact O-CB 3.35Å; R404-P412 HydrophobicContact CG-CB 4.38Å; P412-R444 PolarHBondContact O-NH1 3.17Å
413	D	96.9	Very high	95.6	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.027	12%	0.121	C	C	.	.			trans	-111.3	-13.1	-178	47.5	-2.5	0	0	0	113.4	I403 R404 S405 V409 H411 P442 M443 R444	I403-D413 PolarHBondContact O-N 3.43Å; R404-D413 VanDerWaalsContact CA-OD1 3.3Å; R404-D413 WeakPolarHBondContact CA-OD1 3.22Å; S405-D413 WeakPolarHBondContact CB-OD1 3.37Å; S405-D413 WeakPolarHBondContact CB-OD2 3.45Å; S405-D413 PolarHBondContact N-OD1 2.97Å; S405-D413 PolarHBondContact OG-OD1 2.78Å; S405-D413 PolarHBondContact OG-OD2 3.33Å; V409-D413 HydrophobicContact CG1-CB 4.36Å; H411-D413 PolarHBondContact O-N 2.87Å; D413-P442 CarbonylContact O-C 3.42Å; D413-P442 VanDerWaalsContact O-CA 3.25Å; D413-P442 WeakPolarHBondContact O-CA 3.43Å; D413-M443 PolarHBondContact O-N 2.82Å; D413-R444 VanDerWaalsContact CB-NH2 3.33Å
414	I	98.2	Very high	94.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.6	177.3	-62.5	176.2	0	0	0	109.4	F402 I403 F416 V440 G441 L484	F402-I414 CarbonylContact C-O 3.57Å; F402-I414 WeakPolarHBondContact CA-O 3.41Å; I403-I414 HydrophobicContact CG1-CB 4.18Å; I403-I414 PolarHBondContact N-O 3.37Å; I403-I414 PolarHBondContact O-N 3.43Å; I414-F416 HydrophobicContact CB-CE2 4.4Å; I414-F416 HydrophobicContact CG2-CD2 4.2Å; I414-F416 HydrophobicContact CG2-CE1 4.46Å; I414-F416 HydrophobicContact CG2-CE2 3.56Å; I414-F416 HydrophobicContact CG2-CZ 3.7Å; I414-V440 HydrophobicContact CG2-CG2 3.53Å; I414-G441 WeakPolarHBondContact CA-O 3.26Å; I414-L484 HydrophobicContact CD1-CD1 3.61Å
415	Q	98.4	Very high	94	Very high	3 Å²	3	24.3 Å²	24.3	1%	0.014	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.6	171.5	-173.7	177.5	29	0	0	110.9	G401 F402 H417 V440 G441 M443 N571	G401-Q415 CarbonylContact O-C 3.59Å; G401-Q415 WeakPolarHBondContact O-CA 3.38Å; F402-Q415 HydrophobicContact CD1-CB 3.89Å; F402-Q415 HydrophobicContact CD1-CG 4.06Å; F402-Q415 HydrophobicContact CE1-CB 3.57Å; F402-Q415 HydrophobicContact CE1-CG 3.45Å; F402-Q415 VanDerWaalsContact CE1-CG 3.45Å; F402-Q415 HydrophobicContact CE2-CG 4.29Å; F402-Q415 HydrophobicContact CZ-CB 4.24Å; F402-Q415 VanDerWaalsContact CZ-CD 3.5Å; F402-Q415 HydrophobicContact CZ-CG 3.57Å; Q415-H417 PolarHBondContact NE2-CE1 3.38Å; Q415-H417 VanDerWaalsContact NE2-CE1 3.31Å; Q415-H417 PolarHBondContact NE2-NE2 2.89Å; Q415-H417 VanDerWaalsContact NE2-NE2 3.15Å; Q415-H417 PolarHBondContact OE1-CE1 3.02Å; Q415-H417 VanDerWaalsContact OE1-CE1 3.27Å; Q415-V440 VanDerWaalsContact O-CA 3.29Å; Q415-V440 WeakPolarHBondContact O-CA 3.43Å; Q415-G441 PolarHBondContact N-O 3.18Å; Q415-G441 PolarHBondContact O-N 2.77Å; Q415-M443 HydrophobicContact CB-CE 3.72Å; Q415-M443 HydrophobicContact CB-CG 3.75Å; Q415-M443 HydrophobicContact CB-SD 3.48Å; Q415-M443 WeakPolarHBondContact CB-SD 3.21Å; Q415-M443 HydrophobicContact CG-SD 4.29Å; Q415-M443 PolarHBondContact OE1-SD 2.88Å; Q415-N571 PolarHBondContact NE2-OD1 3.45Å; Q415-N571 VanDerWaalsContact NE2-OD1 3.09Å
416	F	98.4	Very high	93	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.1	170	-58.8	-96.4	0	0	0	110.5	F218 L241 M244 G400 G401 I403 I414 V438 H439 V440 I488	F218-F416 HydrophobicContact CZ-CB 4.01Å; F218-F416 HydrophobicContact CZ-CG 4.4Å; L241-F416 HydrophobicContact CD2-CD2 4.17Å; M244-F416 WeakPolarHBondContact CE-O 3.44Å; G400-F416 CarbonylContact C-O 3.59Å; G400-F416 WeakPolarHBondContact CA-O 3.15Å; G401-F416 PolarHBondContact N-O 3.32Å; G401-F416 PolarHBondContact O-N 2.71Å; I403-F416 HydrophobicContact CB-CE2 4.43Å; I403-F416 HydrophobicContact CD1-CE2 3.48Å; I403-F416 VanDerWaalsContact CD1-CE2 3.48Å; I403-F416 HydrophobicContact CD1-CZ 3.56Å; I403-F416 HydrophobicContact CG1-CE2 3.68Å; I403-F416 HydrophobicContact CG1-CZ 4.2Å; I403-F416 HydrophobicContact CG2-CE2 4.17Å; I414-F416 HydrophobicContact CB-CE2 4.4Å; I414-F416 HydrophobicContact CG2-CD2 4.2Å; I414-F416 HydrophobicContact CG2-CE1 4.46Å; I414-F416 HydrophobicContact CG2-CE2 3.56Å; I414-F416 HydrophobicContact CG2-CZ 3.7Å; F416-V438 HydrophobicContact CD1-CB 4.18Å; F416-V438 HydrophobicContact CD1-CG1 4.23Å; F416-V438 HydrophobicContact CD1-CG2 4.28Å; F416-H439 CarbonylContact C-O 3.47Å; F416-H439 WeakPolarHBondContact CA-O 3.45Å; F416-V440 HydrophobicContact CD1-CB 3.85Å; F416-V440 HydrophobicContact CD1-CG2 3.53Å; F416-V440 HydrophobicContact CE1-CB 4.04Å; F416-V440 HydrophobicContact CE1-CG2 3.34Å; F416-V440 HydrophobicContact CE2-CG2 4.46Å; F416-V440 HydrophobicContact CG-CG2 4.2Å; F416-V440 HydrophobicContact CZ-CG2 3.84Å; F416-I488 HydrophobicContact CE1-CD1 4.16Å; F416-I488 HydrophobicContact CZ-CD1 4.12Å
417	H	97.8	Very high	91.9	Very high	12 Å²	12	20.9 Å²	20.9	6%	0.056	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.7	160.8	-52.9	87.8	0	0	0	108.9	L397 Q415 V438 H439 N571	L397-H417 HydrophobicContact CD2-CB 4.16Å; Q415-H417 PolarHBondContact NE2-CE1 3.38Å; Q415-H417 VanDerWaalsContact NE2-CE1 3.31Å; Q415-H417 PolarHBondContact NE2-NE2 2.89Å; Q415-H417 VanDerWaalsContact NE2-NE2 3.15Å; Q415-H417 PolarHBondContact OE1-CE1 3.02Å; Q415-H417 VanDerWaalsContact OE1-CE1 3.27Å; H417-V438 CarbonylContact O-C 3.57Å; H417-V438 VanDerWaalsContact O-CA 3.32Å; H417-V438 WeakPolarHBondContact O-CA 3.47Å; H417-H439 HydrophobicContact CB-CB 4.2Å; H417-H439 PolarHBondContact N-O 3.47Å; H417-H439 PolarHBondContact O-N 3.21Å; H417-N571 PolarHBondContact NE2-OD1 3.05Å
418	F	97.9	Very high	91	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.8	179.6	-180	-92.6	0	0	0	110.7	L214 H215 F218 S399 P420 Y436 Q437 V438 F489 F494	L214-F418 HydrophobicContact CB-CE1 3.72Å; L214-F418 HydrophobicContact CB-CZ 3.79Å; L214-F418 WeakPolarHBondContact O-CE1 3.37Å; H215-F418 AromaticContact CE1-CD1 3.95Å; H215-F418 AromaticContact ND1-CD1 3.52Å; F218-F418 HydrophobicContact CB-CB 4.47Å; F218-F418 HydrophobicContact CB-CD1 4.18Å; F218-F418 HydrophobicContact CB-CD2 3.83Å; F218-F418 HydrophobicContact CB-CE1 4.41Å; F218-F418 HydrophobicContact CB-CE2 4.08Å; F218-F418 HydrophobicContact CB-CG 3.88Å; F218-F418 HydrophobicContact CB-CZ 4.37Å; F218-F418 HydrophobicContact CD1-CB 3.75Å; F218-F418 HydrophobicContact CD1-CD2 4.37Å; F218-F418 HydrophobicContact CD1-CG 4.09Å; F218-F418 HydrophobicContact CD2-CB 4.17Å; F218-F418 AromaticContact CD2-CD2 3.41Å; F218-F418 HydrophobicContact CD2-CD2 3.41Å; F218-F418 VanDerWaalsContact CD2-CD2 3.41Å; F218-F418 HydrophobicContact CD2-CE2 4.05Å; F218-F418 AromaticContact CD2-CG 3.96Å; F218-F418 HydrophobicContact CD2-CG 3.96Å; F218-F418 HydrophobicContact CE1-CB 3.97Å; F218-F418 HydrophobicContact CE2-CB 4.37Å; F218-F418 HydrophobicContact CE2-CD2 4.04Å; F218-F418 HydrophobicContact CG-CB 3.84Å; F218-F418 HydrophobicContact CG-CD1 4.43Å; F218-F418 AromaticContact CG-CD2 3.59Å; F218-F418 HydrophobicContact CG-CD2 3.59Å; F218-F418 HydrophobicContact CG-CE2 4.27Å; F218-F418 AromaticContact CG-CG 3.68Å; F218-F418 HydrophobicContact CG-CG 3.68Å; F218-F418 HydrophobicContact CZ-CB 4.26Å; S399-F418 WeakPolarHBondContact O-CB 3.44Å; S399-F418 PolarHBondContact O-N 3.27Å; F418-P420 HydrophobicContact CE1-CB 4.46Å; F418-Y436 AromaticContact CE2-CD2 3.81Å; F418-Y436 HydrophobicContact CE2-CD2 3.81Å; F418-Y436 HydrophobicContact CE2-CG 4.31Å; F418-Y436 HydrophobicContact CZ-CD2 4.1Å; F418-Y436 HydrophobicContact CZ-CG 4.15Å; F418-Q437 WeakPolarHBondContact CD2-O 3.29Å; F418-V438 HydrophobicContact CB-CG1 4.3Å; F418-V438 HydrophobicContact CD2-CG1 3.93Å; F418-F489 HydrophobicContact CD2-CE1 4.16Å; F418-F489 HydrophobicContact CD2-CZ 4.44Å; F418-F489 AromaticContact CE2-CE1 3.93Å; F418-F489 HydrophobicContact CE2-CE1 3.93Å; F418-F489 HydrophobicContact CE2-CZ 4.25Å; F418-F494 HydrophobicContact CE2-CE1 4.26Å; F418-F494 AromaticContact CE2-CZ 3.93Å; F418-F494 HydrophobicContact CE2-CZ 3.93Å; F418-F494 HydrophobicContact CZ-CE1 4.3Å; F418-F494 HydrophobicContact CZ-CZ 4.3Å
419	L	95.8	Very high	90.4	Very high	18 Å²	18	25.3 Å²	25.3	9%	0.094	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.5	179	-171.9	70.5	0	0	0	110.3	H396 L397 S421 V423 Y436 Q437	H396-L419 HydrophobicContact CB-CD1 3.89Å; H396-L419 VanDerWaalsContact O-CD1 3.29Å; H396-L419 WeakPolarHBondContact O-CD1 3.29Å; L397-L419 HydrophobicContact CD2-CB 4.16Å; L397-L419 HydrophobicContact CD2-CD1 3.85Å; L397-L419 HydrophobicContact CG-CD1 4.34Å; L419-S421 PolarHBondContact O-N 3.48Å; L419-V423 HydrophobicContact CD2-CG2 3.56Å; L419-Y436 WeakPolarHBondContact O-CA 3.41Å; L419-Q437 HydrophobicContact CB-CG 4.15Å; L419-Q437 PolarHBondContact N-O 3.43Å; L419-Q437 PolarHBondContact O-N 3.46Å
420	P	96.2	Very high	89.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-78.6	51.4	172.4	34.1	-36.4	0	0	0	111.4	L214 T367 L368 F418 A435	L214-P420 HydrophobicContact CB-CB 4.34Å; L214-P420 HydrophobicContact CD1-CB 3.89Å; T367-P420 WeakPolarHBondContact CB-O 3.38Å; L368-P420 HydrophobicContact CG-CG 4.45Å; L368-P420 WeakPolarHBondContact CG-O 3.29Å; L368-P420 PolarHBondContact N-O 3.41Å; F418-P420 HydrophobicContact CE1-CB 4.46Å; P420-A435 CarbonylContact C-O 3.6Å
421	S	93.4	Very high	89.4	Confident	5 Å²	5	24.8 Å²	24.8	4%	0.035	14%	0.14	C	C	.	.	S	Bend	trans	-157.3	159.8	178.9	-163.6	0	0	0	0	111.6	Q372 L419 A435 Q437	Q372-S421 PolarHBondContact NE2-OG 2.55Å; L419-S421 PolarHBondContact O-N 3.48Å; S421-A435 CarbonylContact C-O 3.41Å; S421-A435 VanDerWaalsContact C-O 3.23Å; S421-A435 WeakPolarHBondContact CA-O 3.18Å; S421-A435 PolarHBondContact N-O 2.93Å; S421-Q437 WeakPolarHBondContact O-CG 3.25Å; S421-Q437 PolarHBondContact O-NE2 3.47Å; S421-Q437 VanDerWaalsContact O-NE2 3.12Å
422	Q	91.7	Very high	89.2	Confident	15 Å²	15	30.8 Å²	30.8	7%	0.07	17%	0.165	C	C	.	.			trans	-89.4	121.9	168.5	-166.2	-178.3	28.2	0	0	110.5	I424 S431 A435	Q422-I424 HydrophobicContact CG-CD1 4.33Å; Q422-I424 HydrophobicContact CG-CG1 4.02Å; Q422-S431 PolarHBondContact O-OG 3.14Å; Q422-A435 HydrophobicContact CB-CB 4.03Å; Q422-A435 HydrophobicContact CG-CB 4.48Å
423	V	85.9	Confident	89	Confident	22 Å²	22	33.3 Å²	33.3	13%	0.133	18%	0.178	C	C	.	.			trans	-100.2	127.2	170.1	172.3	0	0	0	0	109.4	Y357 Q359 L419	Y357-V423 HydrophobicContact CD2-CB 4.42Å; Y357-V423 HydrophobicContact CD2-CG1 4.27Å; Y357-V423 HydrophobicContact CE2-CB 4.26Å; Y357-V423 HydrophobicContact CE2-CG1 3.67Å; Q359-V423 PolarHBondContact NE2-O 3.26Å; L419-V423 HydrophobicContact CD2-CG2 3.56Å
424	I	83.9	Confident	89.1	Confident	43 Å²	43	34.6 Å²	34.6	22%	0.221	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-125.8	129.4	174.4	-54.3	174.6	0	0	0	107.1	Q422 H426 G427 R428 V429 K432	Q422-I424 HydrophobicContact CG-CD1 4.33Å; Q422-I424 HydrophobicContact CG-CG1 4.02Å; I424-H426 PolarHBondContact O-N 3.16Å; I424-G427 WeakPolarHBondContact O-CA 3.39Å; I424-G427 PolarHBondContact O-N 3.35Å; I424-R428 PolarHBondContact O-N 3.35Å; I424-V429 HydrophobicContact CB-CB 3.88Å; I424-V429 HydrophobicContact CB-CG1 4.17Å; I424-V429 HydrophobicContact CD1-CG1 4.33Å; I424-V429 HydrophobicContact CG2-CB 3.73Å; I424-V429 HydrophobicContact CG2-CG1 3.92Å; I424-V429 HydrophobicContact CG2-CG2 4.32Å; I424-V429 PolarHBondContact O-N 3.44Å; I424-K432 HydrophobicContact CD1-CD 4.32Å; I424-K432 HydrophobicContact CD1-CG 4.23Å
425	D	77.1	Confident	89	Confident	77 Å²	77	34.6 Å²	34.6	41%	0.412	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	54	54.6	175.9	-172.4	34.3	0	0	0	113.2	G427 R428 V429	D425-G427 PolarHBondContact O-N 2.88Å; D425-G427 VanDerWaalsContact O-N 3.11Å; D425-R428 HydrophobicContact CB-CB 4.48Å; D425-R428 WeakPolarHBondContact O-CB 3.42Å; D425-R428 VanDerWaalsContact O-CG 3.24Å; D425-R428 WeakPolarHBondContact O-CG 3.32Å; D425-R428 PolarHBondContact O-N 3.05Å; D425-R428 PolarHBondContact O-NE 3.06Å; D425-R428 IonicContact OD1-CZ 2.89Å; D425-R428 IonicContact OD1-NE 3.44Å; D425-R428 PolarHBondContact OD1-NE 3.42Å; D425-R428 IonicContact OD1-NH2 3.21Å; D425-R428 PolarHBondContact OD1-NH2 2.69Å; D425-R428 IonicContact OD2-CZ 2.93Å; D425-R428 IonicContact OD2-NE 3.35Å; D425-R428 PolarHBondContact OD2-NE 3.19Å; D425-R428 IonicContact OD2-NH2 3.86Å; D425-R428 PolarHBondContact OD2-NH2 2.73Å; D425-V429 HydrophobicContact CB-CB 4.48Å; D425-V429 HydrophobicContact CB-CG2 3.96Å
426	H	74.9	Confident	89	Confident	23 Å²	23	34.4 Å²	34.4	11%	0.106	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	55.3	25.1	-172.8	-48.9	-74.4	0	0	0	114.7	I424 R428 D523 Y526	I424-H426 PolarHBondContact O-N 3.16Å; H426-R428 VanDerWaalsContact C-N 3.31Å; H426-D523 IonicContact CE1-OD1 3.22Å; H426-D523 IonicContact CE1-OD2 3.78Å; H426-D523 PolarHBondContact CE1-OD2 3.21Å; H426-D523 IonicContact NE2-OD1 3.46Å; H426-D523 IonicContact NE2-OD2 3.59Å; H426-D523 PolarHBondContact NE2-OD2 2.85Å; H426-Y526 PolarHBondContact CE1-OH 3.39Å; H426-Y526 VanDerWaalsContact CE1-OH 3.24Å; H426-Y526 VanDerWaalsContact CG-OH 3.28Å; H426-Y526 AromaticContact ND1-CZ 3.94Å; H426-Y526 PolarHBondContact ND1-OH 2.88Å
427	G	72.6	Confident	88.9	Confident	25 Å²	25	34.4 Å²	34.4	26%	0.258	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	80.7	11.5	-178.3	0	0	0	0	0	113.7	I424 D425 V429	I424-G427 WeakPolarHBondContact O-CA 3.39Å; I424-G427 PolarHBondContact O-N 3.35Å; D425-G427 PolarHBondContact O-N 2.88Å; D425-G427 VanDerWaalsContact O-N 3.11Å; G427-V429 VanDerWaalsContact C-N 3.29Å
428	R	76.1	Confident	88.9	Confident	123 Å²	123	33.9 Å²	33.9	46%	0.464	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.2	172.8	-63.2	-176.9	-73.4	-176.3	-5.2	112.3	I424 D425 H426	I424-R428 PolarHBondContact O-N 3.35Å; D425-R428 HydrophobicContact CB-CB 4.48Å; D425-R428 WeakPolarHBondContact O-CB 3.42Å; D425-R428 VanDerWaalsContact O-CG 3.24Å; D425-R428 WeakPolarHBondContact O-CG 3.32Å; D425-R428 PolarHBondContact O-N 3.05Å; D425-R428 PolarHBondContact O-NE 3.06Å; D425-R428 IonicContact OD1-CZ 2.89Å; D425-R428 IonicContact OD1-NE 3.44Å; D425-R428 PolarHBondContact OD1-NE 3.42Å; D425-R428 IonicContact OD1-NH2 3.21Å; D425-R428 PolarHBondContact OD1-NH2 2.69Å; D425-R428 IonicContact OD2-CZ 2.93Å; D425-R428 IonicContact OD2-NE 3.35Å; D425-R428 PolarHBondContact OD2-NE 3.19Å; D425-R428 IonicContact OD2-NH2 3.86Å; D425-R428 PolarHBondContact OD2-NH2 2.73Å; H426-R428 VanDerWaalsContact C-N 3.31Å
429	V	82.8	Confident	88.9	Confident	57 Å²	57	35 Å²	35	35%	0.345	19%	0.186	S	C	.	.	B	Isolated β-bridge	trans	-107.7	129.4	174.8	177	0	0	0	0	109.3	I424 D425 G427	I424-V429 HydrophobicContact CB-CB 3.88Å; I424-V429 HydrophobicContact CB-CG1 4.17Å; I424-V429 HydrophobicContact CD1-CG1 4.33Å; I424-V429 HydrophobicContact CG2-CB 3.73Å; I424-V429 HydrophobicContact CG2-CG1 3.92Å; I424-V429 HydrophobicContact CG2-CG2 4.32Å; I424-V429 PolarHBondContact O-N 3.44Å; D425-V429 HydrophobicContact CB-CB 4.48Å; D425-V429 HydrophobicContact CB-CG2 3.96Å; G427-V429 VanDerWaalsContact C-N 3.29Å
430	A	83	Confident	89	Confident	69 Å²	69	34.1 Å²	34.1	57%	0.57	18%	0.182	S	C	*	.			trans	-61.3	143.4	179.8	0	0	0	0	0	111.7
431	S	84.4	Confident	89.1	Confident	6 Å²	6	34.2 Å²	34.2	4%	0.042	18%	0.182	C	C	.	.			trans	-57	142.3	174.2	-54.5	0	0	0	0	110	Y369 Q372 Q422	Y369-S431 VanDerWaalsContact CE2-O 3.25Å; Y369-S431 WeakPolarHBondContact CE2-O 3.45Å; Q372-S431 PolarHBondContact NE2-OG 3.03Å; Q372-S431 VanDerWaalsContact OE1-CB 3.31Å; Q372-S431 PolarHBondContact OE1-OG 2.77Å; Q372-S431 VanDerWaalsContact OE1-OG 3.06Å; Q422-S431 PolarHBondContact O-OG 3.14Å
432	K	90.1	Very high	89.2	Confident	143 Å²	143	34 Å²	34	62%	0.622	18%	0.18	S	C	*	.			trans	-102.9	-22.5	-175.7	-63.9	-179.9	-177.6	175.6	0	112.9	Y369 I424	Y369-K432 WeakPolarHBondContact CE2-O 3.11Å; Y369-K432 PolarHBondContact OH-O 2.78Å; I424-K432 HydrophobicContact CD1-CD 4.32Å; I424-K432 HydrophobicContact CD1-CG 4.23Å
433	I	94.4	Very high	89.5	Confident	54 Å²	54	33.5 Å²	33.5	28%	0.277	18%	0.178	S	C	.	.	S	Bend	trans	-143.2	165.5	-173.4	58	176.2	0	0	0	110.4	Q361 Y369 A435 V502	Q361-I433 HydrophobicContact CB-CD1 4.47Å; Q361-I433 HydrophobicContact CG-CD1 4.31Å; Y369-I433 WeakPolarHBondContact CD2-O 3.48Å; I433-A435 HydrophobicContact CD1-CB 4.34Å; I433-A435 HydrophobicContact CG1-CB 4.08Å; I433-A435 PolarHBondContact O-N 2.86Å; I433-V502 HydrophobicContact CD1-CG1 4.39Å; I433-V502 HydrophobicContact CD1-CG2 3.69Å
434	E	97.1	Very high	90	Very high	31 Å²	31	34.3 Å²	34.3	15%	0.145	18%	0.179	C	C	.	.	S	Bend	trans	-66.9	115.7	163.8	-63.6	-71.2	167.5	0	0	108.1	Q361 C362 T367 Y369	Q361-E434 WeakPolarHBondContact CG-O 3.19Å; C362-E434 HydrophobicContact CB-CB 4.08Å; C362-E434 PolarHBondContact N-O 2.68Å; T367-E434 VanDerWaalsContact CB-OE2 3.24Å; T367-E434 WeakPolarHBondContact CB-OE2 3.26Å; T367-E434 HydrophobicContact CG2-CB 4.35Å; T367-E434 WeakPolarHBondContact CG2-OE2 3.39Å; T367-E434 PolarHBondContact N-OE2 2.82Å; T367-E434 PolarHBondContact OG1-OE2 3.45Å; Y369-E434 HydrophobicContact CD1-CG 4.16Å; Y369-E434 WeakPolarHBondContact CD1-OE1 3.5Å
435	A	97.4	Very high	90.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	157.3	-178.6	0	0	0	0	0	111.5	Q360 T367 P420 S421 Q422 I433	Q360-A435 CarbonylContact O-C 3.43Å; Q360-A435 WeakPolarHBondContact O-CA 3.45Å; Q360-A435 WeakPolarHBondContact O-CB 3.3Å; T367-A435 WeakPolarHBondContact CG2-O 3.45Å; P420-A435 CarbonylContact C-O 3.6Å; S421-A435 CarbonylContact C-O 3.41Å; S421-A435 VanDerWaalsContact C-O 3.23Å; S421-A435 WeakPolarHBondContact CA-O 3.18Å; S421-A435 PolarHBondContact N-O 2.93Å; Q422-A435 HydrophobicContact CB-CB 4.03Å; Q422-A435 HydrophobicContact CG-CB 4.48Å; I433-A435 HydrophobicContact CD1-CB 4.34Å; I433-A435 HydrophobicContact CG1-CB 4.08Å; I433-A435 PolarHBondContact O-N 2.86Å
436	Y	97.8	Very high	91.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	165	172.6	57.6	-98.8	0	0	0	109.6	L214 Q360 C362 F418 L419 F489 F494 F497 R498	L214-Y436 HydrophobicContact CD1-CD1 3.87Å; L214-Y436 HydrophobicContact CD1-CG 4.24Å; L214-Y436 HydrophobicContact CD2-CD1 4.23Å; L214-Y436 HydrophobicContact CD2-CE1 4.41Å; Q360-Y436 HydrophobicContact CB-CD2 3.95Å; Q360-Y436 HydrophobicContact CB-CE1 4.26Å; Q360-Y436 HydrophobicContact CB-CE2 3.42Å; Q360-Y436 VanDerWaalsContact CB-CE2 3.42Å; Q360-Y436 HydrophobicContact CG-CE1 4.44Å; Q360-Y436 HydrophobicContact CG-CE2 3.99Å; Q360-Y436 WeakPolarHBondContact CG-OH 3.36Å; Q360-Y436 PolarHBondContact N-O 3.31Å; Q360-Y436 PolarHBondContact O-N 3.22Å; C362-Y436 HydrophobicContact CB-CD1 3.9Å; C362-Y436 HydrophobicContact CB-CE1 4.19Å; F418-Y436 AromaticContact CE2-CD2 3.81Å; F418-Y436 HydrophobicContact CE2-CD2 3.81Å; F418-Y436 HydrophobicContact CE2-CG 4.31Å; F418-Y436 HydrophobicContact CZ-CD2 4.1Å; F418-Y436 HydrophobicContact CZ-CG 4.15Å; L419-Y436 WeakPolarHBondContact O-CA 3.41Å; Y436-F489 HydrophobicContact CD2-CE1 4.15Å; Y436-F489 HydrophobicContact CD2-CE2 4.3Å; Y436-F489 AromaticContact CD2-CZ 3.94Å; Y436-F489 HydrophobicContact CD2-CZ 3.94Å; Y436-F489 HydrophobicContact CE2-CD1 4.09Å; Y436-F489 HydrophobicContact CE2-CD2 4.27Å; Y436-F489 HydrophobicContact CE2-CE1 4.01Å; Y436-F489 HydrophobicContact CE2-CE2 4.19Å; Y436-F489 HydrophobicContact CE2-CG 4.21Å; Y436-F489 HydrophobicContact CE2-CZ 4.05Å; Y436-F494 HydrophobicContact CD2-CE1 4.24Å; Y436-F494 HydrophobicContact CE1-CD1 4.37Å; Y436-F494 HydrophobicContact CE1-CE1 4.49Å; Y436-F494 AromaticContact CE2-CD1 3.95Å; Y436-F494 HydrophobicContact CE2-CD1 3.95Å; Y436-F494 AromaticContact CE2-CE1 3.72Å; Y436-F494 HydrophobicContact CE2-CE1 3.72Å; Y436-F494 HydrophobicContact CE2-CZ 4.32Å; Y436-F494 AromaticContact CZ-CD1 3.68Å; Y436-F494 AromaticContact CZ-CE1 3.87Å; Y436-F494 WeakPolarHBondContact OH-CD1 3.45Å; Y436-F497 HydrophobicContact CE1-CB 4.29Å; Y436-R498 WeakPolarHBondContact OH-CA 3.21Å
437	Q	97.4	Very high	92.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	168.1	-175.7	67.3	-173.6	-23.4	0	0	112.3	V358 Q359 F418 L419 S421 H439	V358-Q437 WeakPolarHBondContact O-CA 3.26Å; V358-Q437 WeakPolarHBondContact O-CB 3.41Å; Q359-Q437 HydrophobicContact CB-CB 4.32Å; Q359-Q437 HydrophobicContact CG-CB 3.86Å; F418-Q437 WeakPolarHBondContact CD2-O 3.29Å; L419-Q437 HydrophobicContact CB-CG 4.15Å; L419-Q437 PolarHBondContact N-O 3.43Å; L419-Q437 PolarHBondContact O-N 3.46Å; S421-Q437 WeakPolarHBondContact O-CG 3.25Å; S421-Q437 PolarHBondContact O-NE2 3.47Å; S421-Q437 VanDerWaalsContact O-NE2 3.12Å; Q437-H439 PolarHBondContact NE2-NE2 2.9Å
438	V	97.6	Very high	93.7	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.4	159.5	-74.9	0	0	0	0	109.9	F218 V358 F416 H417 F418 V440 S485 F489	F218-V438 HydrophobicContact CD2-CG1 4.2Å; F218-V438 HydrophobicContact CE2-CG1 3.43Å; F218-V438 VanDerWaalsContact CE2-CG1 3.43Å; F218-V438 HydrophobicContact CZ-CG1 3.86Å; V358-V438 HydrophobicContact CB-CG2 4.02Å; V358-V438 PolarHBondContact N-O 2.96Å; V358-V438 VanDerWaalsContact N-O 3.16Å; V358-V438 PolarHBondContact O-N 3.36Å; V358-V438 VanDerWaalsContact O-N 3.09Å; F416-V438 HydrophobicContact CD1-CB 4.18Å; F416-V438 HydrophobicContact CD1-CG1 4.23Å; F416-V438 HydrophobicContact CD1-CG2 4.28Å; H417-V438 CarbonylContact O-C 3.57Å; H417-V438 VanDerWaalsContact O-CA 3.32Å; H417-V438 WeakPolarHBondContact O-CA 3.47Å; F418-V438 HydrophobicContact CB-CG1 4.3Å; F418-V438 HydrophobicContact CD2-CG1 3.93Å; V438-V440 HydrophobicContact CG2-CB 4.46Å; V438-V440 HydrophobicContact CG2-CG1 4.4Å; V438-S485 WeakPolarHBondContact CG2-OG 3.21Å; V438-F489 HydrophobicContact CB-CZ 4.3Å; V438-F489 HydrophobicContact CG1-CE1 4.05Å; V438-F489 HydrophobicContact CG1-CZ 3.83Å; V438-F489 HydrophobicContact CG2-CE2 4.23Å; V438-F489 HydrophobicContact CG2-CZ 3.91Å
439	H	97	Very high	94.8	Very high	23 Å²	23	28.3 Å²	28.3	11%	0.106	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.1	158.6	-60.9	-154.9	0	0	0	106.3	E355 L356 Y357 F416 H417 Q437	E355-H439 IonicContact OE1-CE1 3.39Å; E355-H439 IonicContact OE1-CG 2.66Å; E355-H439 IonicContact OE1-ND1 3.32Å; E355-H439 PolarHBondContact OE1-ND1 3.44Å; E355-H439 VanDerWaalsContact OE1-ND1 3.12Å; E355-H439 IonicContact OE2-ND1 2.81Å; L356-H439 WeakPolarHBondContact O-CA 3.17Å; Y357-H439 HydrophobicContact CD1-CB 4.11Å; Y357-H439 AromaticContact CD1-CD2 3.55Å; Y357-H439 AromaticContact CD1-CG 3.61Å; Y357-H439 AromaticContact CD1-ND1 3.95Å; Y357-H439 AromaticContact CD1-NE2 3.9Å; Y357-H439 HydrophobicContact CE1-CB 4.02Å; Y357-H439 AromaticContact CE1-CD2 3.63Å; Y357-H439 AromaticContact CE1-CE1 3.42Å; Y357-H439 VanDerWaalsContact CE1-CE1 3.42Å; Y357-H439 WeakPolarHBondContact CE1-CE1 3.47Å; Y357-H439 AromaticContact CE1-CG 3.37Å; Y357-H439 AromaticContact CE1-ND1 3.23Å; Y357-H439 WeakPolarHBondContact CE1-ND1 3.36Å; Y357-H439 AromaticContact CE1-NE2 3.69Å; Y357-H439 AromaticContact CZ-CE1 3.64Å; Y357-H439 AromaticContact CZ-ND1 3.84Å; F416-H439 CarbonylContact C-O 3.47Å; F416-H439 WeakPolarHBondContact CA-O 3.45Å; H417-H439 HydrophobicContact CB-CB 4.2Å; H417-H439 PolarHBondContact N-O 3.47Å; H417-H439 PolarHBondContact O-N 3.21Å; Q437-H439 PolarHBondContact NE2-NE2 2.9Å
440	V	98.1	Very high	95.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	140.2	-171.9	63.1	0	0	0	0	111.1	E355 L356 V358 I414 Q415 F416 V438 C481	E355-V440 CarbonylContact C-O 3.6Å; E355-V440 WeakPolarHBondContact CA-O 3.15Å; L356-V440 HydrophobicContact CD1-CG1 4.07Å; L356-V440 HydrophobicContact CD2-CG1 3.84Å; L356-V440 HydrophobicContact CG-CG1 3.64Å; L356-V440 PolarHBondContact N-O 3.25Å; L356-V440 PolarHBondContact O-N 3.29Å; V358-V440 HydrophobicContact CG2-CG1 4.19Å; I414-V440 HydrophobicContact CG2-CG2 3.53Å; Q415-V440 VanDerWaalsContact O-CA 3.29Å; Q415-V440 WeakPolarHBondContact O-CA 3.43Å; F416-V440 HydrophobicContact CD1-CB 3.85Å; F416-V440 HydrophobicContact CD1-CG2 3.53Å; F416-V440 HydrophobicContact CE1-CB 4.04Å; F416-V440 HydrophobicContact CE1-CG2 3.34Å; F416-V440 HydrophobicContact CE2-CG2 4.46Å; F416-V440 HydrophobicContact CG-CG2 4.2Å; F416-V440 HydrophobicContact CZ-CG2 3.84Å; V438-V440 HydrophobicContact CG2-CB 4.46Å; V438-V440 HydrophobicContact CG2-CG1 4.4Å; V440-C481 HydrophobicContact CG1-CB 4.08Å; V440-C481 HydrophobicContact CG2-CB 3.76Å
441	G	97.7	Very high	96.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	160.2	174.5	0	0	0	0	0	112.7	I414 Q415 M443	I414-G441 WeakPolarHBondContact CA-O 3.26Å; Q415-G441 PolarHBondContact N-O 3.18Å; Q415-G441 PolarHBondContact O-N 2.77Å; G441-M443 WeakPolarHBondContact O-CE 3.45Å
442	P	97.3	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	143.3	167	30.7	-31.8	0	0	0	110.8	D413 E477 F478	D413-P442 CarbonylContact O-C 3.42Å; D413-P442 VanDerWaalsContact O-CA 3.25Å; D413-P442 WeakPolarHBondContact O-CA 3.43Å; P442-E477 HydrophobicContact CB-CB 4.08Å; P442-E477 WeakPolarHBondContact CB-OE2 3.24Å; P442-E477 HydrophobicContact CG-CB 4.15Å; P442-F478 HydrophobicContact CG-CD2 3.68Å; P442-F478 HydrophobicContact CG-CE2 3.36Å; P442-F478 HydrophobicContact CG-CZ 3.95Å
443	M	97.3	Very high	97.4	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.025	12%	0.116	C	C	.	.	S	Bend	trans	-99.7	-6.3	-177.6	-60.6	-68.9	94.2	0	0	113.1	H353 F402 D413 Q415 G441	H353-M443 HydrophobicContact CB-CE 4.05Å; H353-M443 PolarHBondContact CD2-O 2.75Å; H353-M443 PolarHBondContact NE2-O 2.59Å; F402-M443 HydrophobicContact CE1-CG 4.4Å; D413-M443 PolarHBondContact O-N 2.82Å; Q415-M443 HydrophobicContact CB-CE 3.72Å; Q415-M443 HydrophobicContact CB-CG 3.75Å; Q415-M443 HydrophobicContact CB-SD 3.48Å; Q415-M443 WeakPolarHBondContact CB-SD 3.21Å; Q415-M443 HydrophobicContact CG-SD 4.29Å; Q415-M443 PolarHBondContact OE1-SD 2.88Å; G441-M443 WeakPolarHBondContact O-CE 3.45Å
444	R	95.6	Very high	97.5	Very high	39 Å²	39	27.5 Å²	27.5	15%	0.147	13%	0.131	C	C	.	.	S	Bend	trans	-135.5	43.3	-176.6	-62	-173.1	-62	-88	9.5	111.1	H411 P412 D413 S569	H411-R444 PolarHBondContact CD2-NH1 2.83Å; H411-R444 VanDerWaalsContact NE2-CZ 3.31Å; H411-R444 PolarHBondContact NE2-NH1 3.32Å; H411-R444 VanDerWaalsContact NE2-NH1 3.14Å; H411-R444 PolarHBondContact O-NH2 3.35Å; P412-R444 PolarHBondContact O-NH1 3.17Å; D413-R444 VanDerWaalsContact CB-NH2 3.33Å; R444-S569 PolarHBondContact NH1-OG 2.93Å
445	S	95.3	Very high	97.6	Very high	15 Å²	15	27.4 Å²	27.4	11%	0.105	13%	0.134	C	C	.	.			trans	-52.3	143.2	174.1	-62.9	0	0	0	0	111.3
446	T	97	Very high	97.6	Very high	68 Å²	68	29.8 Å²	29.8	42%	0.417	15%	0.153	S	C	.	.			trans	-90.4	-13.8	-175	56.9	0	0	0	0	113.2	I448 T471 T473 D474	T446-I448 PolarHBondContact O-N 2.54Å; T446-T471 WeakPolarHBondContact OG1-CB 3.5Å; T446-T471 WeakPolarHBondContact OG1-CG2 3.23Å; T446-T471 PolarHBondContact OG1-OG1 3.18Å; T446-T473 HydrophobicContact CG2-CG2 4.31Å; T446-D474 PolarHBondContact N-OD1 3.32Å; T446-D474 PolarHBondContact N-OD2 3.2Å; T446-D474 PolarHBondContact OG1-OD1 3.04Å
447	S	97.5	Very high	97.6	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.07	17%	0.166	C	C	.	.			trans	-61.3	123.7	168.4	-65.3	0	0	0	0	110.9	N467 L469 S470 D474	S447-N467 WeakPolarHBondContact CB-O 3.29Å; S447-N467 PolarHBondContact OG-O 3.49Å; S447-L469 PolarHBondContact OG-N 2.9Å; S447-S470 WeakPolarHBondContact CB-OG 3.5Å; S447-S470 PolarHBondContact OG-N 3.4Å; S447-S470 PolarHBondContact OG-OG 3.12Å; S447-S470 VanDerWaalsContact OG-OG 3.05Å; S447-D474 WeakPolarHBondContact CB-OD2 3.4Å; S447-D474 PolarHBondContact N-OD2 2.84Å; S447-D474 PolarHBondContact OG-OD2 3.39Å
448	I	97.9	Very high	97.6	Very high	69 Å²	69	33.6 Å²	33.6	35%	0.354	18%	0.179	S	C	.	.			trans	-116.8	129.8	176.3	-56.7	-60.3	0	0	0	109.7	Q351 T446 N467	Q351-I448 HydrophobicContact CG-CD1 3.5Å; Q351-I448 VanDerWaalsContact CG-CD1 3.5Å; T446-I448 PolarHBondContact O-N 2.54Å; I448-N467 PolarHBondContact O-ND2 3.33Å
449	G	98.3	Very high	97.5	Very high	4 Å²	4	39.8 Å²	39.8	4%	0.041	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-102.7	-170.8	180	0	0	0	0	0	114.9	N349 L350 Q465	N349-G449 PolarHBondContact N-O 2.86Å; L350-G449 PolarHBondContact N-O 3.41Å; L350-G449 WeakPolarHBondContact O-CA 3.42Å; L350-G449 PolarHBondContact O-N 2.83Å; G449-Q465 CarbonylContact C-O 3.52Å; G449-Q465 WeakPolarHBondContact CA-O 3.44Å
450	W	98.7	Very high	97.6	Very high	83 Å²	83	41.7 Å²	41.7	31%	0.314	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.6	171.7	54.9	-94.5	0	0	0	111.7	G347 K452 I463 Q465	G347-W450 CarbonylContact O-C 3.56Å; G347-W450 VanDerWaalsContact O-CA 3.25Å; G347-W450 WeakPolarHBondContact O-CA 3.09Å; W450-K452 HydrophobicContact CE3-CB 4.15Å; W450-K452 HydrophobicContact CE3-CD 3.96Å; W450-K452 HydrophobicContact CE3-CG 3.59Å; W450-K452 HydrophobicContact CH2-CD 4.4Å; W450-K452 HydrophobicContact CZ3-CB 3.85Å; W450-K452 HydrophobicContact CZ3-CD 3.74Å; W450-K452 HydrophobicContact CZ3-CG 3.65Å; W450-I463 HydrophobicContact CH2-CG2 3.93Å; W450-I463 HydrophobicContact CZ3-CB 4.33Å; W450-I463 HydrophobicContact CZ3-CG2 3.73Å; W450-Q465 HydrophobicContact CD2-CB 3.91Å; W450-Q465 HydrophobicContact CD2-CG 4.4Å; W450-Q465 HydrophobicContact CE3-CB 4.18Å; W450-Q465 HydrophobicContact CH2-CB 4.06Å; W450-Q465 HydrophobicContact CZ2-CB 3.75Å; W450-Q465 HydrophobicContact CZ2-CG 3.78Å; W450-Q465 HydrophobicContact CZ3-CB 4.26Å; W450-Q465 PolarHBondContact N-O 3.41Å; W450-Q465 CarbonylContact O-C 3.59Å; W450-Q465 PolarHBondContact O-N 2.92Å
451	L	98.1	Very high	97.6	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138	172.7	161	142.2	0	0	0	109.7	I315 P318 M322 G347 P462 I463 I464	I315-L451 HydrophobicContact CB-CD1 4.44Å; I315-L451 HydrophobicContact CG2-CD1 3.81Å; P318-L451 HydrophobicContact CB-CD2 4.06Å; P318-L451 HydrophobicContact CG-CD2 3.84Å; M322-L451 HydrophobicContact CE-CD2 3.46Å; M322-L451 VanDerWaalsContact CE-CD2 3.46Å; G347-L451 PolarHBondContact O-N 3.26Å; L451-P462 HydrophobicContact CD1-CB 3.58Å; L451-P462 HydrophobicContact CD1-CG 3.37Å; L451-P462 HydrophobicContact CD2-CB 4.31Å; L451-P462 HydrophobicContact CG-CB 3.84Å; L451-P462 HydrophobicContact CG-CG 4.2Å; L451-I463 WeakPolarHBondContact CA-O 3.42Å; L451-I464 HydrophobicContact CD1-CG1 3.79Å
452	K	98.4	Very high	97.6	Very high	73 Å²	73	45.6 Å²	45.6	32%	0.317	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	161.1	177.3	-71	-176.3	-178.1	-153.7	0	111.3	D331 W450 P462 I463	D331-K452 IonicContact OD1-NZ 2.7Å; D331-K452 PolarHBondContact OD1-NZ 2.94Å; D331-K452 WeakPolarHBondContact OD2-CE 3.4Å; D331-K452 IonicContact OD2-NZ 3.35Å; D331-K452 PolarHBondContact OD2-NZ 2.79Å; W450-K452 HydrophobicContact CE3-CB 4.15Å; W450-K452 HydrophobicContact CE3-CD 3.96Å; W450-K452 HydrophobicContact CE3-CG 3.59Å; W450-K452 HydrophobicContact CH2-CD 4.4Å; W450-K452 HydrophobicContact CZ3-CB 3.85Å; W450-K452 HydrophobicContact CZ3-CD 3.74Å; W450-K452 HydrophobicContact CZ3-CG 3.65Å; K452-P462 CarbonylContact O-C 3.54Å; K452-P462 WeakPolarHBondContact O-CA 3.44Å; K452-P462 WeakPolarHBondContact O-CB 3.16Å; K452-I463 PolarHBondContact N-O 3.12Å; K452-I463 PolarHBondContact O-N 3.38Å
453	L	98.7	Very high	97.6	Very high	15 Å²	15	48 Å²	48	8%	0.079	25%	0.253	C	S	.	.			trans	-65.5	136.2	168.1	-66.3	-176.4	0	0	0	110.8	Q319 M322 L323 L332 L335 I337	Q319-L453 HydrophobicContact CG-CD2 3.7Å; M322-L453 HydrophobicContact CB-CD1 3.59Å; M322-L453 HydrophobicContact CB-CD2 4.04Å; M322-L453 HydrophobicContact CB-CG 3.64Å; M322-L453 HydrophobicContact CE-CD2 4.06Å; M322-L453 HydrophobicContact CE-CG 4.05Å; M322-L453 HydrophobicContact CG-CG 4.49Å; M322-L453 HydrophobicContact SD-CG 4.1Å; L323-L453 HydrophobicContact CD2-CD1 3.97Å; L323-L453 HydrophobicContact CD2-CD2 4.08Å; L323-L453 HydrophobicContact CG-CD1 4.18Å; L323-L453 HydrophobicContact CG-CD2 3.87Å; L332-L453 HydrophobicContact CD2-CD1 4.48Å; L335-L453 HydrophobicContact CD1-CB 3.43Å; L335-L453 VanDerWaalsContact CD1-CB 3.43Å; L335-L453 HydrophobicContact CD1-CD1 4.14Å; L335-L453 HydrophobicContact CD1-CG 4.43Å; I337-L453 HydrophobicContact CD1-CD1 3.39Å
454	K	98.1	Very high	97.7	Very high	138 Å²	138	47.8 Å²	47.8	60%	0.6	25%	0.252	S	S	*	.	S	Bend	trans	-78.6	-36.2	168.7	-174	-178.6	177.3	-174.4	0	111.5	H461 I463	K454-H461 WeakPolarHBondContact CB-O 3.27Å; K454-I463 HydrophobicContact CB-CD1 4.47Å; K454-I463 HydrophobicContact CB-CG1 3.97Å; K454-I463 HydrophobicContact CG-CG1 4.35Å
455	S	98.4	Very high	97.8	Very high	29 Å²	29	47.4 Å²	47.4	20%	0.203	25%	0.252	C	S	.	.	S	Bend	trans	-156.2	176	-179.8	81.2	0	0	0	0	109.5	S457 D460	S455-S457 PolarHBondContact O-N 3.01Å; S455-S457 VanDerWaalsContact OG-CB 3.29Å; S455-S457 WeakPolarHBondContact OG-CB 3.39Å; S455-S457 PolarHBondContact OG-N 3.01Å; S455-D460 WeakPolarHBondContact CB-OD2 3.39Å; S455-D460 PolarHBondContact OG-OD2 2.71Å
456	A	97.9	Very high	98	Very high	49 Å²	49	46.9 Å²	46.9	41%	0.405	25%	0.248	S	C	.	.	S	Bend	trans	-76.3	-0.1	171.1	0	0	0	0	0	113.8	I337	I337-A456 HydrophobicContact CD1-CB 4.24Å; I337-A456 HydrophobicContact CG1-CB 4.12Å
457	S	98	Very high	98	Very high	40 Å²	40	45.5 Å²	45.5	28%	0.28	24%	0.238	S	C	.	.			trans	-80.2	126.6	178	-179.6	0	0	0	0	110.8	S455 L459 D460	S455-S457 PolarHBondContact O-N 3.01Å; S455-S457 VanDerWaalsContact OG-CB 3.29Å; S455-S457 WeakPolarHBondContact OG-CB 3.39Å; S455-S457 PolarHBondContact OG-N 3.01Å; S457-L459 PolarHBondContact O-N 3.45Å; S457-L459 PolarHBondContact OG-N 3.15Å; S457-D460 PolarHBondContact O-N 3.02Å
458	P	97.1	Very high	98	Very high	41 Å²	41	45.3 Å²	45.3	27%	0.266	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.3	174.7	30.3	-36.3	0	0	0	113.4	T279 L323	T279-P458 HydrophobicContact CG2-CB 3.94Å; T279-P458 HydrophobicContact CG2-CG 3.63Å; L323-P458 HydrophobicContact CD1-CB 3.93Å
459	L	96.2	Very high	98	Very high	130 Å²	130	42.1 Å²	42.1	68%	0.681	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-18.6	178.9	-64	173.2	0	0	0	112.8	L277 S457	L277-L459 HydrophobicContact CD2-CD2 3.44Å; L277-L459 VanDerWaalsContact CD2-CD2 3.44Å; L277-L459 HydrophobicContact CD2-CG 4.45Å; S457-L459 PolarHBondContact O-N 3.45Å; S457-L459 PolarHBondContact OG-N 3.15Å
460	D	97.9	Very high	98	Very high	64 Å²	64	44.2 Å²	44.2	34%	0.342	23%	0.234	S	C	.	.	S	Bend	trans	-79.3	134	178.3	-71.3	-23.1	0	0	0	109.5	Q319 S455 S457	Q319-D460 PolarHBondContact NE2-O 2.77Å; S455-D460 WeakPolarHBondContact CB-OD2 3.39Å; S455-D460 PolarHBondContact OG-OD2 2.71Å; S457-D460 PolarHBondContact O-N 3.02Å
461	H	97.8	Very high	97.9	Very high	75 Å²	75	42 Å²	42	35%	0.347	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-62.9	142.7	170	-70.1	179.7	0	0	0	110.1	W121 Y123 K454	W121-H461 PolarHBondContact O-CE1 3.23Å; W121-H461 PolarHBondContact O-NE2 2.94Å; Y123-H461 HydrophobicContact CD1-CB 4.06Å; Y123-H461 AromaticContact CD1-CE1 4Å; Y123-H461 AromaticContact CD1-CG 3.67Å; Y123-H461 AromaticContact CD1-ND1 3.59Å; Y123-H461 HydrophobicContact CE1-CB 4.26Å; Y123-H461 AromaticContact CE1-CD2 3.78Å; Y123-H461 AromaticContact CE1-CG 3.78Å; K454-H461 WeakPolarHBondContact CB-O 3.27Å
462	P	97.9	Very high	97.9	Very high	8 Å²	8	48.8 Å²	48.8	5%	0.052	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-68.5	160.3	176	30.6	-32.5	0	0	0	110.2	I315 L451 K452 I464	I315-P462 HydrophobicContact CG2-CG 3.69Å; L451-P462 HydrophobicContact CD1-CB 3.58Å; L451-P462 HydrophobicContact CD1-CG 3.37Å; L451-P462 HydrophobicContact CD2-CB 4.31Å; L451-P462 HydrophobicContact CG-CB 3.84Å; L451-P462 HydrophobicContact CG-CG 4.2Å; K452-P462 CarbonylContact O-C 3.54Å; K452-P462 WeakPolarHBondContact O-CA 3.44Å; K452-P462 WeakPolarHBondContact O-CB 3.16Å; P462-I464 HydrophobicContact CG-CG1 4.46Å
463	I	98.4	Very high	97.8	Very high	49 Å²	49	48 Å²	48	25%	0.251	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126.8	168.8	-60.5	173.2	0	0	0	107.4	L126 W450 L451 K452 K454	L126-I463 HydrophobicContact CD1-CG2 3.53Å; L126-I463 HydrophobicContact CD2-CG2 3.98Å; L126-I463 HydrophobicContact CG-CG2 3.71Å; W450-I463 HydrophobicContact CH2-CG2 3.93Å; W450-I463 HydrophobicContact CZ3-CB 4.33Å; W450-I463 HydrophobicContact CZ3-CG2 3.73Å; L451-I463 WeakPolarHBondContact CA-O 3.42Å; K452-I463 PolarHBondContact N-O 3.12Å; K452-I463 PolarHBondContact O-N 3.38Å; K454-I463 HydrophobicContact CB-CD1 4.47Å; K454-I463 HydrophobicContact CB-CG1 3.97Å; K454-I463 HydrophobicContact CG-CG1 4.35Å
464	I	98.6	Very high	97.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.6	-178.4	-66.2	162.6	0	0	0	108.5	Y123 T125 L126 W138 I315 L350 L451 P462	Y123-I464 HydrophobicContact CD1-CD1 4.13Å; Y123-I464 HydrophobicContact CG-CD1 4.02Å; T125-I464 CarbonylContact C-O 3.5Å; T125-I464 WeakPolarHBondContact CA-O 3.12Å; T125-I464 HydrophobicContact CG2-CG2 4.09Å; L126-I464 PolarHBondContact N-O 3.21Å; W138-I464 HydrophobicContact CD2-CG2 4.3Å; W138-I464 HydrophobicContact CE3-CD1 4.24Å; W138-I464 HydrophobicContact CE3-CG2 3.72Å; W138-I464 HydrophobicContact CH2-CG2 3.54Å; W138-I464 HydrophobicContact CZ2-CG2 4.08Å; W138-I464 HydrophobicContact CZ3-CG2 3.32Å; I315-I464 HydrophobicContact CD1-CD1 4.26Å; I315-I464 HydrophobicContact CG2-CD1 4.4Å; L350-I464 HydrophobicContact CD2-CG2 4.22Å; L451-I464 HydrophobicContact CD1-CG1 3.79Å; P462-I464 HydrophobicContact CG-CG1 4.46Å
465	Q	98.4	Very high	97.7	Very high	31 Å²	31	41 Å²	41	15%	0.145	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	87.4	-177.9	-179.1	64.5	-16.8	0	0	110.7	L126 G449 W450 N467	L126-Q465 HydrophobicContact CD1-CB 4.34Å; G449-Q465 CarbonylContact C-O 3.52Å; G449-Q465 WeakPolarHBondContact CA-O 3.44Å; W450-Q465 HydrophobicContact CD2-CB 3.91Å; W450-Q465 HydrophobicContact CD2-CG 4.4Å; W450-Q465 HydrophobicContact CE3-CB 4.18Å; W450-Q465 HydrophobicContact CH2-CB 4.06Å; W450-Q465 HydrophobicContact CZ2-CB 3.75Å; W450-Q465 HydrophobicContact CZ2-CG 3.78Å; W450-Q465 HydrophobicContact CZ3-CB 4.26Å; W450-Q465 PolarHBondContact N-O 3.41Å; W450-Q465 CarbonylContact O-C 3.59Å; W450-Q465 PolarHBondContact O-N 2.92Å; Q465-N467 VanDerWaalsContact C-N 3.31Å; Q465-N467 VanDerWaalsContact CG-OD1 3.25Å; Q465-N467 WeakPolarHBondContact CG-OD1 3.42Å; Q465-N467 PolarHBondContact NE2-OD1 3.39Å; Q465-N467 PolarHBondContact O-N 2.83Å
466	P	97.8	Very high	97.7	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.026	24%	0.24	C	C	.	.			trans	-77.8	-12.3	-177.7	32.5	-37.4	0	0	0	114.2	T125 W138 L350 Y468	T125-P466 HydrophobicContact CG2-CG 3.98Å; W138-P466 HydrophobicContact CH2-CB 4.07Å; W138-P466 HydrophobicContact CH2-CG 4.36Å; W138-P466 HydrophobicContact CZ2-CB 3.86Å; W138-P466 HydrophobicContact CZ2-CG 3.82Å; L350-P466 HydrophobicContact CD2-CB 4.38Å; P466-Y468 VanDerWaalsContact C-N 3.34Å; P466-Y468 HydrophobicContact CB-CD1 3.64Å; P466-Y468 HydrophobicContact CB-CD2 4.2Å; P466-Y468 HydrophobicContact CB-CE1 3.42Å; P466-Y468 VanDerWaalsContact CB-CE1 3.42Å; P466-Y468 HydrophobicContact CB-CE2 3.95Å; P466-Y468 HydrophobicContact CB-CG 4.11Å; P466-Y468 HydrophobicContact CG-CD1 3.88Å; P466-Y468 HydrophobicContact CG-CD2 3.49Å; P466-Y468 VanDerWaalsContact CG-CD2 3.49Å; P466-Y468 HydrophobicContact CG-CE1 3.81Å; P466-Y468 HydrophobicContact CG-CE2 3.34Å; P466-Y468 HydrophobicContact CG-CG 3.81Å; P466-Y468 PolarHBondContact O-N 2.85Å
467	N	97.8	Very high	97.7	Very high	40 Å²	40	41.2 Å²	41.2	21%	0.214	22%	0.223	C	C	.	.			trans	58.7	40	-179.7	-63.1	-35.6	0	0	0	113.7	S447 I448 Q465 L469 S470	S447-N467 WeakPolarHBondContact CB-O 3.29Å; S447-N467 PolarHBondContact OG-O 3.49Å; I448-N467 PolarHBondContact O-ND2 3.33Å; Q465-N467 VanDerWaalsContact C-N 3.31Å; Q465-N467 VanDerWaalsContact CG-OD1 3.25Å; Q465-N467 WeakPolarHBondContact CG-OD1 3.42Å; Q465-N467 PolarHBondContact NE2-OD1 3.39Å; Q465-N467 PolarHBondContact O-N 2.83Å; N467-L469 PolarHBondContact O-N 2.84Å; N467-S470 WeakPolarHBondContact O-CB 3.41Å; N467-S470 PolarHBondContact O-N 3.21Å; N467-S470 PolarHBondContact O-OG 2.85Å
468	Y	97.8	Very high	97.7	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.02	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	131.9	-175.3	-66.9	-35.9	0	0	0	114.1	Q128 H130 M136 W138 D352 L354 P466 S470 S524	Q128-Y468 HydrophobicContact CG-CD2 4.21Å; H130-Y468 WeakPolarHBondContact CB-O 3.38Å; M136-Y468 HydrophobicContact CE-CD2 4.02Å; M136-Y468 HydrophobicContact SD-CD2 3.32Å; M136-Y468 WeakPolarHBondContact SD-CD2 3.32Å; M136-Y468 HydrophobicContact SD-CE2 3.29Å; M136-Y468 WeakPolarHBondContact SD-CE2 3.43Å; W138-Y468 HydrophobicContact CZ2-CE2 4.16Å; W138-Y468 AromaticContact CZ2-CZ 3.75Å; W138-Y468 WeakPolarHBondContact CZ2-OH 3.29Å; D352-Y468 HydrophobicContact CB-CE1 4.14Å; D352-Y468 PolarHBondContact OD2-OH 2.68Å; L354-Y468 HydrophobicContact CD1-CD1 3.09Å; L354-Y468 HydrophobicContact CD1-CE1 3.34Å; L354-Y468 HydrophobicContact CD1-CG 3.71Å; L354-Y468 HydrophobicContact CD2-CD1 4.14Å; L354-Y468 HydrophobicContact CD2-CD2 4.19Å; L354-Y468 HydrophobicContact CD2-CG 3.88Å; L354-Y468 HydrophobicContact CG-CD1 3.82Å; L354-Y468 HydrophobicContact CG-CD2 4.49Å; L354-Y468 HydrophobicContact CG-CE1 3.83Å; L354-Y468 HydrophobicContact CG-CG 4.08Å; P466-Y468 VanDerWaalsContact C-N 3.34Å; P466-Y468 HydrophobicContact CB-CD1 3.64Å; P466-Y468 HydrophobicContact CB-CD2 4.2Å; P466-Y468 HydrophobicContact CB-CE1 3.42Å; P466-Y468 VanDerWaalsContact CB-CE1 3.42Å; P466-Y468 HydrophobicContact CB-CE2 3.95Å; P466-Y468 HydrophobicContact CB-CG 4.11Å; P466-Y468 HydrophobicContact CG-CD1 3.88Å; P466-Y468 HydrophobicContact CG-CD2 3.49Å; P466-Y468 VanDerWaalsContact CG-CD2 3.49Å; P466-Y468 HydrophobicContact CG-CE1 3.81Å; P466-Y468 HydrophobicContact CG-CE2 3.34Å; P466-Y468 HydrophobicContact CG-CG 3.81Å; P466-Y468 PolarHBondContact O-N 2.85Å; Y468-S470 PolarHBondContact O-N 3.48Å; Y468-S524 WeakPolarHBondContact OH-CB 3.37Å
469	L	97.4	Very high	97.7	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	33.3	-178.9	-52.4	-175.5	0	0	0	113.9	H130 V131 S447 N467 T471 D474 V475 F478 V518 R519	H130-L469 HydrophobicContact CB-CB 4.29Å; H130-L469 VanDerWaalsContact CB-O 3.25Å; H130-L469 WeakPolarHBondContact CB-O 3.44Å; V131-L469 HydrophobicContact CG1-CB 4.21Å; V131-L469 HydrophobicContact CG1-CD1 3.55Å; V131-L469 HydrophobicContact CG1-CG 3.86Å; S447-L469 PolarHBondContact OG-N 2.9Å; N467-L469 PolarHBondContact O-N 2.84Å; L469-T471 PolarHBondContact O-N 3.17Å; L469-D474 HydrophobicContact CD2-CB 4.02Å; L469-V475 HydrophobicContact CB-CG2 4.16Å; L469-F478 HydrophobicContact CD2-CD2 3.55Å; L469-F478 HydrophobicContact CD2-CE2 3.92Å; L469-F478 HydrophobicContact CD2-CG 4.26Å; L469-V518 HydrophobicContact CD1-CG1 3.58Å; L469-R519 HydrophobicContact CD1-CG 4.32Å
470	S	97.8	Very high	97.8	Very high	49 Å²	49	34.6 Å²	34.6	34%	0.343	18%	0.18	S	C	.	.			trans	-76.8	-7.8	177.7	59.5	0	0	0	0	113.9	H130 S447 N467 Y468	H130-S470 VanDerWaalsContact CD2-CA 3.41Å; H130-S470 WeakPolarHBondContact CD2-CA 3.39Å; S447-S470 WeakPolarHBondContact CB-OG 3.5Å; S447-S470 PolarHBondContact OG-N 3.4Å; S447-S470 PolarHBondContact OG-OG 3.12Å; S447-S470 VanDerWaalsContact OG-OG 3.05Å; N467-S470 WeakPolarHBondContact O-CB 3.41Å; N467-S470 PolarHBondContact O-N 3.21Å; N467-S470 PolarHBondContact O-OG 2.85Å; Y468-S470 PolarHBondContact O-N 3.48Å
471	T	98.1	Very high	97.8	Very high	37 Å²	37	31.6 Å²	31.6	23%	0.227	16%	0.163	C	C	.	.	S	Bend	trans	-119.4	150.7	178.8	74.8	0	0	0	0	111.7	T446 L469 T473 D474 V475	T446-T471 WeakPolarHBondContact OG1-CB 3.5Å; T446-T471 WeakPolarHBondContact OG1-CG2 3.23Å; T446-T471 PolarHBondContact OG1-OG1 3.18Å; L469-T471 PolarHBondContact O-N 3.17Å; T471-T473 VanDerWaalsContact C-N 3.28Å; T471-T473 PolarHBondContact O-N 3.08Å; T471-D474 PolarHBondContact O-N 3.17Å; T471-D474 PolarHBondContact OG1-N 3.43Å; T471-D474 PolarHBondContact OG1-OD1 3.01Å; T471-D474 VanDerWaalsContact OG1-OD1 3.14Å; T471-D474 PolarHBondContact OG1-OD2 3.15Å; T471-V475 WeakPolarHBondContact O-CG2 3.33Å; T471-V475 PolarHBondContact O-N 3.38Å
472	D	97.2	Very high	97.9	Very high	144 Å²	144	28 Å²	28	77%	0.77	15%	0.147	S	C	*	.	H	α-helix	trans	-66	-32.2	176.9	-67.2	-27.2	0	0	0	112.4	V475 W476	D472-V475 PolarHBondContact O-N 2.66Å; D472-W476 WeakPolarHBondContact O-CB 3.23Å; D472-W476 PolarHBondContact O-N 3.02Å
473	T	96.8	Very high	97.9	Very high	56 Å²	56	30.8 Å²	30.8	34%	0.344	16%	0.158	S	C	.	.	H	α-helix	trans	-59.4	-46.9	175.7	-57.8	0	0	0	0	110.9	T446 T471 V475 W476 E477	T446-T473 HydrophobicContact CG2-CG2 4.31Å; T471-T473 VanDerWaalsContact C-N 3.28Å; T471-T473 PolarHBondContact O-N 3.08Å; T473-V475 PolarHBondContact O-N 2.57Å; T473-W476 PolarHBondContact O-N 3.22Å; T473-E477 HydrophobicContact CG2-CG 4.41Å; T473-E477 WeakPolarHBondContact O-CG 2.88Å; T473-E477 PolarHBondContact O-N 2.99Å
474	D	97.4	Very high	97.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-42.6	-177.8	-66	2.1	0	0	0	110.9	T446 S447 L469 T471 W476 E477 F478	T446-D474 PolarHBondContact N-OD1 3.32Å; T446-D474 PolarHBondContact N-OD2 3.2Å; T446-D474 PolarHBondContact OG1-OD1 3.04Å; S447-D474 WeakPolarHBondContact CB-OD2 3.4Å; S447-D474 PolarHBondContact N-OD2 2.84Å; S447-D474 PolarHBondContact OG-OD2 3.39Å; L469-D474 HydrophobicContact CD2-CB 4.02Å; T471-D474 PolarHBondContact O-N 3.17Å; T471-D474 PolarHBondContact OG1-N 3.43Å; T471-D474 PolarHBondContact OG1-OD1 3.01Å; T471-D474 VanDerWaalsContact OG1-OD1 3.14Å; T471-D474 PolarHBondContact OG1-OD2 3.15Å; D474-W476 VanDerWaalsContact C-N 3.33Å; D474-W476 PolarHBondContact O-N 3.17Å; D474-E477 PolarHBondContact O-N 2.86Å; D474-F478 WeakPolarHBondContact O-CB 3.44Å; D474-F478 WeakPolarHBondContact O-CD2 3.29Å; D474-F478 PolarHBondContact O-N 2.91Å
475	V	97.8	Very high	97.9	Very high	8 Å²	8	28.8 Å²	28.8	5%	0.048	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-45.8	176.4	177.8	0	0	0	0	110.5	L469 T471 D472 T473 F478 R479 D515	L469-V475 HydrophobicContact CB-CG2 4.16Å; T471-V475 WeakPolarHBondContact O-CG2 3.33Å; T471-V475 PolarHBondContact O-N 3.38Å; D472-V475 PolarHBondContact O-N 2.66Å; T473-V475 PolarHBondContact O-N 2.57Å; V475-F478 PolarHBondContact O-N 3.17Å; V475-R479 PolarHBondContact O-N 3Å; V475-D515 HydrophobicContact CG1-CB 4.23Å
476	W	97.8	Very high	97.9	Very high	67 Å²	67	29.4 Å²	29.4	25%	0.254	15%	0.149	S	C	.	.	H	α-helix	trans	-62.9	-46.6	178	175.3	83.8	0	0	0	112.2	R406 D472 T473 D474 F478 R479 E480	R406-W476 HydrophobicContact CB-CH2 3.87Å; R406-W476 HydrophobicContact CG-CH2 3.7Å; R406-W476 HydrophobicContact CG-CZ3 4.3Å; D472-W476 WeakPolarHBondContact O-CB 3.23Å; D472-W476 PolarHBondContact O-N 3.02Å; T473-W476 PolarHBondContact O-N 3.22Å; D474-W476 VanDerWaalsContact C-N 3.33Å; D474-W476 PolarHBondContact O-N 3.17Å; W476-F478 VanDerWaalsContact C-N 3.31Å; W476-F478 PolarHBondContact O-N 3.28Å; W476-R479 WeakPolarHBondContact O-CB 3.44Å; W476-R479 PolarHBondContact O-N 3.27Å; W476-R479 VanDerWaalsContact O-N 3.14Å; W476-E480 HydrophobicContact CD2-CG 4.21Å; W476-E480 HydrophobicContact CH2-CG 3.88Å; W476-E480 HydrophobicContact CZ2-CG 3.52Å; W476-E480 HydrophobicContact CZ3-CG 4.42Å; W476-E480 PolarHBondContact O-N 3.28Å
477	E	97.4	Very high	97.9	Very high	14 Å²	14	32 Å²	32	7%	0.065	16%	0.161	C	C	.	.	H	α-helix	trans	-60.8	-41.6	178.9	-74.6	179.1	174	0	0	111.6	P442 T473 D474 R479 E480 C481	P442-E477 HydrophobicContact CB-CB 4.08Å; P442-E477 WeakPolarHBondContact CB-OE2 3.24Å; P442-E477 HydrophobicContact CG-CB 4.15Å; T473-E477 HydrophobicContact CG2-CG 4.41Å; T473-E477 WeakPolarHBondContact O-CG 2.88Å; T473-E477 PolarHBondContact O-N 2.99Å; D474-E477 PolarHBondContact O-N 2.86Å; E477-R479 VanDerWaalsContact C-N 3.33Å; E477-R479 PolarHBondContact O-N 3.23Å; E477-E480 PolarHBondContact O-N 3.19Å; E477-C481 PolarHBondContact O-N 3.17Å; E477-C481 PolarHBondContact O-SG 2.97Å
478	F	98	Very high	97.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.8	-37	175.6	-96	-81.9	0	0	0	113.2	L354 L356 P442 L469 D474 V475 W476 E480 C481 V482 V518 A522	L354-F478 HydrophobicContact CB-CE1 4.21Å; L354-F478 HydrophobicContact CB-CE2 3.85Å; L354-F478 HydrophobicContact CB-CZ 3.29Å; L354-F478 HydrophobicContact CG-CZ 4.47Å; L356-F478 HydrophobicContact CB-CD1 4.46Å; L356-F478 HydrophobicContact CB-CE1 4.33Å; L356-F478 HydrophobicContact CD2-CD1 3.37Å; L356-F478 HydrophobicContact CD2-CE1 3.74Å; L356-F478 HydrophobicContact CG-CD1 4.49Å; P442-F478 HydrophobicContact CG-CD2 3.68Å; P442-F478 HydrophobicContact CG-CE2 3.36Å; P442-F478 HydrophobicContact CG-CZ 3.95Å; L469-F478 HydrophobicContact CD2-CD2 3.55Å; L469-F478 HydrophobicContact CD2-CE2 3.92Å; L469-F478 HydrophobicContact CD2-CG 4.26Å; D474-F478 WeakPolarHBondContact O-CB 3.44Å; D474-F478 WeakPolarHBondContact O-CD2 3.29Å; D474-F478 PolarHBondContact O-N 2.91Å; V475-F478 PolarHBondContact O-N 3.17Å; W476-F478 VanDerWaalsContact C-N 3.31Å; W476-F478 PolarHBondContact O-N 3.28Å; F478-E480 VanDerWaalsContact C-N 3.34Å; F478-C481 WeakPolarHBondContact O-CB 3.31Å; F478-C481 PolarHBondContact O-N 3.44Å; F478-V482 PolarHBondContact O-N 2.82Å; F478-V518 HydrophobicContact CB-CB 4.46Å; F478-V518 HydrophobicContact CB-CG1 3.59Å; F478-V518 HydrophobicContact CB-CG2 4.02Å; F478-V518 HydrophobicContact CD1-CG1 3.95Å; F478-V518 HydrophobicContact CG-CG1 3.85Å; F478-A522 HydrophobicContact CE1-CB 4.32Å
479	R	98.1	Very high	98	Very high	39 Å²	39	30 Å²	30	15%	0.147	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-43.9	173.2	-171	-164.5	-62.9	158.4	10.9	111.3	V475 W476 E477 C481 V482 K483 D511 I514 D515	V475-R479 PolarHBondContact O-N 3Å; W476-R479 WeakPolarHBondContact O-CB 3.44Å; W476-R479 PolarHBondContact O-N 3.27Å; W476-R479 VanDerWaalsContact O-N 3.14Å; E477-R479 VanDerWaalsContact C-N 3.33Å; E477-R479 PolarHBondContact O-N 3.23Å; R479-C481 VanDerWaalsContact C-N 3.34Å; R479-C481 PolarHBondContact O-N 3.31Å; R479-V482 WeakPolarHBondContact O-CB 3.11Å; R479-V482 PolarHBondContact O-N 3.14Å; R479-K483 PolarHBondContact O-N 3.43Å; R479-D511 WeakPolarHBondContact CD-OD1 3.29Å; R479-D511 IonicContact CZ-OD2 3.39Å; R479-D511 IonicContact NE-OD2 3.38Å; R479-D511 VanDerWaalsContact NH1-CG 3.34Å; R479-D511 IonicContact NH1-OD2 3.03Å; R479-D511 PolarHBondContact NH1-OD2 2.92Å; R479-I514 HydrophobicContact CB-CG2 4.15Å; R479-I514 HydrophobicContact CG-CB 4.02Å; R479-I514 HydrophobicContact CG-CD1 4.37Å; R479-I514 HydrophobicContact CG-CG2 3.61Å; R479-D515 IonicContact CZ-OD1 3.27Å; R479-D515 IonicContact CZ-OD2 2.77Å; R479-D515 IonicContact NE-OD1 3.62Å; R479-D515 PolarHBondContact NE-OD1 3.1Å; R479-D515 IonicContact NE-OD2 3.64Å; R479-D515 IonicContact NH2-OD1 3.24Å; R479-D515 PolarHBondContact NH2-OD1 3.35Å; R479-D515 IonicContact NH2-OD2 3.23Å; R479-D515 PolarHBondContact NH2-OD2 3.45Å
480	E	98	Very high	98	Very high	34 Å²	34	32.7 Å²	32.7	16%	0.159	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-37.3	176.9	-65	-51.9	121.6	0	0	111.7	W476 E477 F478 V482 K483 L484	W476-E480 HydrophobicContact CD2-CG 4.21Å; W476-E480 HydrophobicContact CH2-CG 3.88Å; W476-E480 HydrophobicContact CZ2-CG 3.52Å; W476-E480 HydrophobicContact CZ3-CG 4.42Å; W476-E480 PolarHBondContact O-N 3.28Å; E477-E480 PolarHBondContact O-N 3.19Å; F478-E480 VanDerWaalsContact C-N 3.34Å; E480-V482 PolarHBondContact O-N 3.12Å; E480-K483 PolarHBondContact O-N 3.13Å; E480-K483 VanDerWaalsContact O-N 3.12Å; E480-K483 WeakPolarHBondContact OE1-CD 3.4Å; E480-K483 IonicContact OE1-NZ 2.76Å; E480-K483 PolarHBondContact OE1-NZ 3.3Å; E480-L484 HydrophobicContact CB-CD1 4.26Å; E480-L484 WeakPolarHBondContact O-CB 3.37Å; E480-L484 WeakPolarHBondContact O-CD1 3.33Å; E480-L484 WeakPolarHBondContact O-CG 3.43Å; E480-L484 PolarHBondContact O-N 3.48Å
481	C	98.3	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-52.7	-41.3	171.5	-71.4	0	0	0	0	112.8	L356 V440 E477 F478 R479 S485	L356-C481 HydrophobicContact CD2-CB 3.77Å; V440-C481 HydrophobicContact CG1-CB 4.08Å; V440-C481 HydrophobicContact CG2-CB 3.76Å; E477-C481 PolarHBondContact O-N 3.17Å; E477-C481 PolarHBondContact O-SG 2.97Å; F478-C481 WeakPolarHBondContact O-CB 3.31Å; F478-C481 PolarHBondContact O-N 3.44Å; R479-C481 VanDerWaalsContact C-N 3.34Å; R479-C481 PolarHBondContact O-N 3.31Å; C481-S485 VanDerWaalsContact O-CB 3.31Å; C481-S485 WeakPolarHBondContact O-CB 3.32Å; C481-S485 PolarHBondContact O-N 2.97Å; C481-S485 VanDerWaalsContact O-N 3.07Å; C481-S485 PolarHBondContact O-OG 3.02Å
482	V	98.5	Very high	98.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-48.7	176.5	173.7	0	0	0	0	111.1	L356 V358 F478 R479 E480 L484 S485 R486 P504 I514 F517 V518	L356-V482 HydrophobicContact CD1-CG2 3.49Å; L356-V482 VanDerWaalsContact CD1-CG2 3.49Å; L356-V482 HydrophobicContact CD2-CG2 4.21Å; V358-V482 HydrophobicContact CG2-CG2 4.45Å; F478-V482 PolarHBondContact O-N 2.82Å; R479-V482 WeakPolarHBondContact O-CB 3.11Å; R479-V482 PolarHBondContact O-N 3.14Å; E480-V482 PolarHBondContact O-N 3.12Å; V482-L484 PolarHBondContact O-N 3.34Å; V482-S485 PolarHBondContact O-N 2.7Å; V482-R486 WeakPolarHBondContact O-CG 3.16Å; V482-R486 PolarHBondContact O-N 3.03Å; V482-P504 HydrophobicContact CG1-CG 4.06Å; V482-I514 HydrophobicContact CB-CG2 3.84Å; V482-I514 HydrophobicContact CG1-CD1 4.42Å; V482-I514 HydrophobicContact CG1-CG1 4.43Å; V482-I514 HydrophobicContact CG1-CG2 4.05Å; V482-I514 HydrophobicContact CG2-CG2 3.86Å; V482-F517 HydrophobicContact CG2-CD1 4.39Å; V482-F517 HydrophobicContact CG2-CE1 4.29Å; V482-V518 HydrophobicContact CG2-CG2 4.39Å
483	K	98.3	Very high	98.1	Very high	66 Å²	66	32 Å²	32	29%	0.287	16%	0.156	S	C	.	.	H	α-helix	trans	-61.8	-45.3	-178.9	-67.8	175.6	-176.8	168.9	0	111.9	R479 E480 R486 E487 D511 I514	R479-K483 PolarHBondContact O-N 3.43Å; E480-K483 PolarHBondContact O-N 3.13Å; E480-K483 VanDerWaalsContact O-N 3.12Å; E480-K483 WeakPolarHBondContact OE1-CD 3.4Å; E480-K483 IonicContact OE1-NZ 2.76Å; E480-K483 PolarHBondContact OE1-NZ 3.3Å; K483-R486 WeakPolarHBondContact O-CB 2.99Å; K483-R486 PolarHBondContact O-N 2.86Å; K483-E487 PolarHBondContact O-N 2.85Å; K483-D511 WeakPolarHBondContact CE-OD1 3.4Å; K483-D511 IonicContact NZ-OD1 3.79Å; K483-D511 PolarHBondContact NZ-OD1 3.27Å; K483-D511 IonicContact NZ-OD2 3.33Å; K483-I514 HydrophobicContact CG-CD1 4.29Å
484	L	98.3	Very high	98.2	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-37.6	-179.4	-62.1	166.2	0	0	0	111.4	Y227 I403 I414 E480 V482 E487 I488 Q609	Y227-L484 WeakPolarHBondContact OH-CD2 3.33Å; I403-L484 HydrophobicContact CD1-CB 4.2Å; I403-L484 HydrophobicContact CD1-CD1 4.01Å; I414-L484 HydrophobicContact CD1-CD1 3.61Å; E480-L484 HydrophobicContact CB-CD1 4.26Å; E480-L484 WeakPolarHBondContact O-CB 3.37Å; E480-L484 WeakPolarHBondContact O-CD1 3.33Å; E480-L484 WeakPolarHBondContact O-CG 3.43Å; E480-L484 PolarHBondContact O-N 3.48Å; V482-L484 PolarHBondContact O-N 3.34Å; L484-E487 PolarHBondContact O-N 3.36Å; L484-I488 WeakPolarHBondContact O-CG1 3.3Å; L484-I488 PolarHBondContact O-N 3.3Å; L484-Q609 VanDerWaalsContact CD2-NE2 3.28Å
485	S	98.5	Very high	98.2	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.007	16%	0.161	C	C	.	.	H	α-helix	trans	-62.6	-44.6	173.3	-60.3	0	0	0	0	112.1	V438 C481 V482 E487 I488 F489	V438-S485 WeakPolarHBondContact CG2-OG 3.21Å; C481-S485 VanDerWaalsContact O-CB 3.31Å; C481-S485 WeakPolarHBondContact O-CB 3.32Å; C481-S485 PolarHBondContact O-N 2.97Å; C481-S485 VanDerWaalsContact O-N 3.07Å; C481-S485 PolarHBondContact O-OG 3.02Å; V482-S485 PolarHBondContact O-N 2.7Å; S485-E487 VanDerWaalsContact C-N 3.32Å; S485-E487 PolarHBondContact O-N 3.49Å; S485-I488 PolarHBondContact O-N 2.95Å; S485-F489 PolarHBondContact O-N 3.34Å
486	R	98.3	Very high	98.3	Very high	43 Å²	43	36.2 Å²	36.2	16%	0.162	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-42.5	175.3	-76.9	171.1	164	178.3	-13.1	111.6	V482 K483 I488 F489 A490 E501 P504 G505 C508	V482-R486 WeakPolarHBondContact O-CG 3.16Å; V482-R486 PolarHBondContact O-N 3.03Å; K483-R486 WeakPolarHBondContact O-CB 2.99Å; K483-R486 PolarHBondContact O-N 2.86Å; R486-I488 PolarHBondContact O-N 3.12Å; R486-F489 PolarHBondContact O-N 3.14Å; R486-A490 VanDerWaalsContact O-CB 3.3Å; R486-A490 WeakPolarHBondContact O-CB 3.46Å; R486-A490 PolarHBondContact O-N 3.39Å; R486-E501 WeakPolarHBondContact CG-OE1 3.4Å; R486-E501 IonicContact CZ-OE1 3.19Å; R486-E501 IonicContact CZ-OE2 3.87Å; R486-E501 IonicContact NE-OE1 2.79Å; R486-E501 PolarHBondContact NE-OE1 3.16Å; R486-E501 IonicContact NE-OE2 3.49Å; R486-E501 PolarHBondContact NE-OE2 3.09Å; R486-E501 IonicContact NH2-OE1 3.53Å; R486-E501 IonicContact NH2-OE2 2.76Å; R486-E501 PolarHBondContact NH2-OE2 2.95Å; R486-P504 VanDerWaalsContact NH2-CG 3.28Å; R486-G505 PolarHBondContact NH2-O 3.45Å; R486-C508 VanDerWaalsContact CZ-O 3.24Å; R486-C508 PolarHBondContact NH1-O 3.05Å; R486-C508 PolarHBondContact NH2-O 3.08Å
487	E	98	Very high	98.3	Very high	59 Å²	59	34.3 Å²	34.3	28%	0.276	17%	0.174	S	C	.	.	H	α-helix	trans	-60.1	-45.2	176.9	-169.6	-169.8	127.8	0	0	112	K483 L484 S485 A490 Q491 R610	K483-E487 PolarHBondContact O-N 2.85Å; L484-E487 PolarHBondContact O-N 3.36Å; S485-E487 VanDerWaalsContact C-N 3.32Å; S485-E487 PolarHBondContact O-N 3.49Å; E487-A490 PolarHBondContact O-N 2.85Å; E487-Q491 WeakPolarHBondContact O-CG 3.18Å; E487-Q491 PolarHBondContact O-NE2 3.36Å; E487-R610 IonicContact OE1-CZ 2.86Å; E487-R610 IonicContact OE1-NH1 3.25Å; E487-R610 PolarHBondContact OE1-NH1 3.07Å; E487-R610 IonicContact OE1-NH2 3.96Å; E487-R610 PolarHBondContact OE1-NH2 3.43Å; E487-R610 IonicContact OE2-CZ 2.86Å; E487-R610 IonicContact OE2-NH1 3.14Å; E487-R610 IonicContact OE2-NH2 3.74Å; E487-R610 PolarHBondContact OE2-NH2 2.92Å
488	I	98.6	Very high	98.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-48.1	177.3	-67.3	163.9	0	0	0	110.2	F218 A221 A225 Y227 L241 F416 L484 S485 R486 A490 Q491	F218-I488 HydrophobicContact CD2-CG2 4.11Å; F218-I488 HydrophobicContact CE2-CG2 3.92Å; A221-I488 HydrophobicContact CB-CG2 3.89Å; A221-I488 WeakPolarHBondContact CB-O 3.27Å; A225-I488 HydrophobicContact CB-CG1 4.48Å; Y227-I488 HydrophobicContact CD2-CD1 4.48Å; Y227-I488 HydrophobicContact CD2-CG1 4.36Å; Y227-I488 HydrophobicContact CE2-CD1 4.35Å; Y227-I488 HydrophobicContact CE2-CG1 4.14Å; L241-I488 HydrophobicContact CD1-CD1 4.13Å; L241-I488 HydrophobicContact CD1-CG2 4.43Å; F416-I488 HydrophobicContact CE1-CD1 4.16Å; F416-I488 HydrophobicContact CZ-CD1 4.12Å; L484-I488 WeakPolarHBondContact O-CG1 3.3Å; L484-I488 PolarHBondContact O-N 3.3Å; S485-I488 PolarHBondContact O-N 2.95Å; R486-I488 PolarHBondContact O-N 3.12Å; I488-A490 PolarHBondContact O-N 3.21Å; I488-Q491 WeakPolarHBondContact O-CB 3.35Å; I488-Q491 WeakPolarHBondContact O-CG 3.46Å; I488-Q491 PolarHBondContact O-N 3.22Å
489	F	98.4	Very high	98.2	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-66.2	-24.6	179.5	-71.6	-12.8	0	0	0	113.5	F218 V358 Q360 F418 Y436 V438 S485 R486 Q491 F494 R498	F218-F489 HydrophobicContact CD2-CE1 4.13Å; F218-F489 HydrophobicContact CE2-CE1 4.35Å; V358-F489 HydrophobicContact CG1-CD2 4.43Å; V358-F489 HydrophobicContact CG1-CE2 4.29Å; Q360-F489 HydrophobicContact CB-CD2 4.2Å; Q360-F489 HydrophobicContact CB-CE2 4.38Å; F418-F489 HydrophobicContact CD2-CE1 4.16Å; F418-F489 HydrophobicContact CD2-CZ 4.44Å; F418-F489 AromaticContact CE2-CE1 3.93Å; F418-F489 HydrophobicContact CE2-CE1 3.93Å; F418-F489 HydrophobicContact CE2-CZ 4.25Å; Y436-F489 HydrophobicContact CD2-CE1 4.15Å; Y436-F489 HydrophobicContact CD2-CE2 4.3Å; Y436-F489 AromaticContact CD2-CZ 3.94Å; Y436-F489 HydrophobicContact CD2-CZ 3.94Å; Y436-F489 HydrophobicContact CE2-CD1 4.09Å; Y436-F489 HydrophobicContact CE2-CD2 4.27Å; Y436-F489 HydrophobicContact CE2-CE1 4.01Å; Y436-F489 HydrophobicContact CE2-CE2 4.19Å; Y436-F489 HydrophobicContact CE2-CG 4.21Å; Y436-F489 HydrophobicContact CE2-CZ 4.05Å; V438-F489 HydrophobicContact CB-CZ 4.3Å; V438-F489 HydrophobicContact CG1-CE1 4.05Å; V438-F489 HydrophobicContact CG1-CZ 3.83Å; V438-F489 HydrophobicContact CG2-CE2 4.23Å; V438-F489 HydrophobicContact CG2-CZ 3.91Å; S485-F489 PolarHBondContact O-N 3.34Å; R486-F489 PolarHBondContact O-N 3.14Å; F489-Q491 PolarHBondContact O-N 3.2Å; F489-F494 HydrophobicContact CD1-CD2 4.19Å; F489-F494 AromaticContact CD1-CE2 3.67Å; F489-F494 HydrophobicContact CD1-CE2 3.67Å; F489-F494 AromaticContact CD1-CZ 3.92Å; F489-F494 HydrophobicContact CD1-CZ 3.92Å; F489-F494 HydrophobicContact CE1-CE2 4.18Å; F489-F494 HydrophobicContact CE1-CZ 4.03Å; F489-F494 WeakPolarHBondContact O-CB 3.47Å; F489-R498 VanDerWaalsContact O-CD 3.24Å; F489-R498 WeakPolarHBondContact O-CD 3.44Å; F489-R498 PolarHBondContact O-NH1 3.07Å
490	A	98.1	Very high	98.2	Very high	58 Å²	58	40.5 Å²	40.5	48%	0.479	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.4	176.2	0	0	0	0	0	114.2	R486 E487 I488 R498	R486-A490 VanDerWaalsContact O-CB 3.3Å; R486-A490 WeakPolarHBondContact O-CB 3.46Å; R486-A490 PolarHBondContact O-N 3.39Å; E487-A490 PolarHBondContact O-N 2.85Å; I488-A490 PolarHBondContact O-N 3.21Å; A490-R498 VanDerWaalsContact C-NH1 3.3Å; A490-R498 PolarHBondContact O-NH1 2.68Å
491	Q	98.8	Very high	98.1	Very high	43 Å²	43	40.2 Å²	40.2	20%	0.201	21%	0.212	C	C	.	.	S	Bend	trans	-70.2	158.7	-177.2	-58.6	-57	-41	0	0	113.3	A221 Q224 A225 E487 I488 F489 A493 F494 R498	A221-Q491 HydrophobicContact CB-CB 3.87Å; A221-Q491 HydrophobicContact CB-CG 4.33Å; A221-Q491 WeakPolarHBondContact O-CG 3.42Å; Q224-Q491 HydrophobicContact CB-CB 3.98Å; Q224-Q491 HydrophobicContact CB-CG 4.09Å; A225-Q491 HydrophobicContact CB-CG 4.02Å; E487-Q491 WeakPolarHBondContact O-CG 3.18Å; E487-Q491 PolarHBondContact O-NE2 3.36Å; I488-Q491 WeakPolarHBondContact O-CB 3.35Å; I488-Q491 WeakPolarHBondContact O-CG 3.46Å; I488-Q491 PolarHBondContact O-N 3.22Å; F489-Q491 PolarHBondContact O-N 3.2Å; Q491-A493 PolarHBondContact O-N 3.34Å; Q491-F494 PolarHBondContact O-N 3.5Å; Q491-R498 PolarHBondContact O-NH1 2.8Å
492	K	98.6	Very high	98.1	Very high	160 Å²	160	42.6 Å²	42.6	70%	0.696	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-59.2	-31.7	-174	-68.1	-176.3	179.7	178	0	113.8	F494 D495	K492-F494 PolarHBondContact O-N 2.75Å; K492-F494 VanDerWaalsContact O-N 3.11Å; K492-D495 WeakPolarHBondContact O-CB 3.48Å; K492-D495 PolarHBondContact O-N 3.31Å
493	A	98.6	Very high	97.9	Very high	12 Å²	12	44.3 Å²	44.3	10%	0.099	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.1	177.5	0	0	0	0	0	112.8	A217 E220 A221 Q491	A217-A493 WeakPolarHBondContact O-CB 3.34Å; E220-A493 HydrophobicContact CB-CB 3.84Å; A221-A493 HydrophobicContact CB-CB 4.15Å; Q491-A493 PolarHBondContact O-N 3.34Å
494	F	98.6	Very high	97.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-93.8	-8	176.5	-80.3	-69.2	0	0	0	114.6	L214 A217 F218 A221 F418 Y436 F489 Q491 K492 P496 F497 R498	L214-F494 HydrophobicContact CD2-CE1 4.33Å; A217-F494 HydrophobicContact CB-CD1 4.22Å; A217-F494 HydrophobicContact CB-CE1 4.04Å; A217-F494 HydrophobicContact CB-CZ 4.37Å; F218-F494 HydrophobicContact CB-CE2 4.42Å; F218-F494 HydrophobicContact CB-CZ 3.9Å; F218-F494 HydrophobicContact CD2-CE2 4.38Å; F218-F494 HydrophobicContact CD2-CZ 4.23Å; A221-F494 HydrophobicContact CB-CD2 3.62Å; A221-F494 HydrophobicContact CB-CE2 3.55Å; F418-F494 HydrophobicContact CE2-CE1 4.26Å; F418-F494 AromaticContact CE2-CZ 3.93Å; F418-F494 HydrophobicContact CE2-CZ 3.93Å; F418-F494 HydrophobicContact CZ-CE1 4.3Å; F418-F494 HydrophobicContact CZ-CZ 4.3Å; Y436-F494 HydrophobicContact CD2-CE1 4.24Å; Y436-F494 HydrophobicContact CE1-CD1 4.37Å; Y436-F494 HydrophobicContact CE1-CE1 4.49Å; Y436-F494 AromaticContact CE2-CD1 3.95Å; Y436-F494 HydrophobicContact CE2-CD1 3.95Å; Y436-F494 AromaticContact CE2-CE1 3.72Å; Y436-F494 HydrophobicContact CE2-CE1 3.72Å; Y436-F494 HydrophobicContact CE2-CZ 4.32Å; Y436-F494 AromaticContact CZ-CD1 3.68Å; Y436-F494 AromaticContact CZ-CE1 3.87Å; Y436-F494 WeakPolarHBondContact OH-CD1 3.45Å; F489-F494 HydrophobicContact CD1-CD2 4.19Å; F489-F494 AromaticContact CD1-CE2 3.67Å; F489-F494 HydrophobicContact CD1-CE2 3.67Å; F489-F494 AromaticContact CD1-CZ 3.92Å; F489-F494 HydrophobicContact CD1-CZ 3.92Å; F489-F494 HydrophobicContact CE1-CE2 4.18Å; F489-F494 HydrophobicContact CE1-CZ 4.03Å; F489-F494 WeakPolarHBondContact O-CB 3.47Å; Q491-F494 PolarHBondContact O-N 3.5Å; K492-F494 PolarHBondContact O-N 2.75Å; K492-F494 VanDerWaalsContact O-N 3.11Å; F494-P496 VanDerWaalsContact C-N 3.3Å; F494-P496 VanDerWaalsContact O-N 3.15Å; F494-F497 CarbonylContact O-C 3.55Å; F494-F497 PolarHBondContact O-N 2.98Å; F494-R498 HydrophobicContact CB-CB 4.35Å; F494-R498 VanDerWaalsContact O-CB 3.28Å; F494-R498 WeakPolarHBondContact O-CB 3.25Å; F494-R498 PolarHBondContact O-N 3.49Å
495	D	98.2	Very high	97.6	Very high	84 Å²	84	41.6 Å²	41.6	45%	0.449	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-40.6	-178.8	-68.3	-5.9	0	0	0	113.7	K492 F497 R498	K492-D495 WeakPolarHBondContact O-CB 3.48Å; K492-D495 PolarHBondContact O-N 3.31Å; D495-F497 PolarHBondContact O-N 3.04Å; D495-R498 IonicContact OD1-CZ 3.76Å; D495-R498 IonicContact OD1-NH1 2.81Å; D495-R498 PolarHBondContact OD1-NH1 2.86Å; D495-R498 IonicContact OD1-NH2 3.55Å; D495-R498 PolarHBondContact OD1-NH2 3.35Å
496	P	98.2	Very high	97.3	Very high	70 Å²	70	45.8 Å²	45.8	46%	0.455	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.2	178.3	-20.8	34.7	0	0	0	114.5	S363 Q364 F494	S363-P496 PolarHBondContact OG-O 3.48Å; S363-P496 VanDerWaalsContact OG-O 3.08Å; Q364-P496 PolarHBondContact NE2-O 3.33Å; F494-P496 VanDerWaalsContact C-N 3.3Å; F494-P496 VanDerWaalsContact O-N 3.15Å
497	F	98.3	Very high	97.1	Very high	26 Å²	26	50.2 Å²	50.2	11%	0.114	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-21.7	-168.4	-48.6	-66.4	0	0	0	113.7	P213 L214 A217 C362 S363 Q364 I366 Y436 F494 D495 G499	P213-F497 HydrophobicContact CB-CZ 4.25Å; L214-F497 HydrophobicContact CD2-CB 3.73Å; L214-F497 HydrophobicContact CD2-CD1 3.97Å; L214-F497 HydrophobicContact CD2-CD2 3.72Å; L214-F497 HydrophobicContact CD2-CE2 4.31Å; L214-F497 HydrophobicContact CD2-CG 3.52Å; A217-F497 HydrophobicContact CB-CD2 4.2Å; A217-F497 HydrophobicContact CB-CE2 3.98Å; C362-F497 CarbonylContact C-O 3.57Å; C362-F497 VanDerWaalsContact CA-O 3.3Å; C362-F497 WeakPolarHBondContact CA-O 3.49Å; S363-F497 PolarHBondContact N-O 2.97Å; S363-F497 VanDerWaalsContact OG-C 3.31Å; S363-F497 WeakPolarHBondContact OG-CA 3.37Å; S363-F497 PolarHBondContact OG-O 3.38Å; Q364-F497 HydrophobicContact CG-CD1 4.38Å; I366-F497 HydrophobicContact CD1-CD1 3.51Å; I366-F497 HydrophobicContact CD1-CE1 3.57Å; Y436-F497 HydrophobicContact CE1-CB 4.29Å; F494-F497 CarbonylContact O-C 3.55Å; F494-F497 PolarHBondContact O-N 2.98Å; D495-F497 PolarHBondContact O-N 3.04Å; F497-G499 PolarHBondContact O-N 3.05Å
498	R	97.8	Very high	97	Very high	81 Å²	81	47.9 Å²	47.9	31%	0.306	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	109.4	-170.6	-175.6	166.1	66.2	-116	-6.4	111.8	Q360 Y436 F489 A490 Q491 F494 D495	Q360-R498 HydrophobicContact CG-CG 4.04Å; Y436-R498 WeakPolarHBondContact OH-CA 3.21Å; F489-R498 VanDerWaalsContact O-CD 3.24Å; F489-R498 WeakPolarHBondContact O-CD 3.44Å; F489-R498 PolarHBondContact O-NH1 3.07Å; A490-R498 VanDerWaalsContact C-NH1 3.3Å; A490-R498 PolarHBondContact O-NH1 2.68Å; Q491-R498 PolarHBondContact O-NH1 2.8Å; F494-R498 HydrophobicContact CB-CB 4.35Å; F494-R498 VanDerWaalsContact O-CB 3.28Å; F494-R498 WeakPolarHBondContact O-CB 3.25Å; F494-R498 PolarHBondContact O-N 3.49Å; D495-R498 IonicContact OD1-CZ 3.76Å; D495-R498 IonicContact OD1-NH1 2.81Å; D495-R498 PolarHBondContact OD1-NH1 2.86Å; D495-R498 IonicContact OD1-NH2 3.55Å; D495-R498 PolarHBondContact OD1-NH2 3.35Å
499	G	97	Very high	96.9	Very high	18 Å²	18	53.5 Å²	53.5	19%	0.186	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-163	161.1	0	0	0	0	0	111.6	Q360 Q361 F497	Q360-G499 PolarHBondContact NE2-O 3.27Å; Q361-G499 WeakPolarHBondContact O-CA 3.36Å; Q361-G499 PolarHBondContact O-N 2.96Å; F497-G499 PolarHBondContact O-N 3.05Å
500	P	96.4	Very high	96.9	Very high	85 Å²	85	56 Å²	56	55%	0.552	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	154.8	172.5	-23.6	34.4	0	0	0	113.9	Q360 Q361	Q360-P500 PolarHBondContact NE2-O 3.17Å; Q361-P500 WeakPolarHBondContact CB-O 3.36Å; Q361-P500 PolarHBondContact N-O 2.84Å
501	E	97.4	Very high	96.9	Very high	28 Å²	28	56.4 Å²	56.4	13%	0.131	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	134.7	170.5	-171.8	-179.8	-122.8	0	0	109.1	Q360 R486 G505	Q360-E501 VanDerWaalsContact NE2-N 3.12Å; R486-E501 WeakPolarHBondContact CG-OE1 3.4Å; R486-E501 IonicContact CZ-OE1 3.19Å; R486-E501 IonicContact CZ-OE2 3.87Å; R486-E501 IonicContact NE-OE1 2.79Å; R486-E501 PolarHBondContact NE-OE1 3.16Å; R486-E501 IonicContact NE-OE2 3.49Å; R486-E501 PolarHBondContact NE-OE2 3.09Å; R486-E501 IonicContact NH2-OE1 3.53Å; R486-E501 IonicContact NH2-OE2 2.76Å; R486-E501 PolarHBondContact NH2-OE2 2.95Å; E501-G505 WeakPolarHBondContact OE2-CA 3.41Å; E501-G505 PolarHBondContact OE2-N 2.97Å; E501-G505 VanDerWaalsContact OE2-N 3.12Å
502	V	96.4	Very high	96.9	Very high	50 Å²	50	57.7 Å²	57.7	30%	0.303	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-41.7	-178.5	174.4	0	0	0	0	110.5	Q359 Q361 I433	Q359-V502 HydrophobicContact CB-CB 3.93Å; Q359-V502 HydrophobicContact CB-CG1 4.27Å; Q359-V502 PolarHBondContact O-N 3.12Å; Q361-V502 HydrophobicContact CB-CG2 3.88Å; I433-V502 HydrophobicContact CD1-CG1 4.39Å; I433-V502 HydrophobicContact CD1-CG2 3.69Å
503	Q	95.1	Very high	96.9	Very high	36 Å²	36	54.4 Å²	54.4	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	128	-178.2	-170.2	177.9	-16.9	0	0	108.6	V358 Q359 F517	V358-Q503 CarbonylContact C-O 3.59Å; V358-Q503 WeakPolarHBondContact CA-O 3.48Å; Q359-Q503 HydrophobicContact CB-CB 3.9Å; Q359-Q503 HydrophobicContact CG-CB 3.97Å; Q359-Q503 PolarHBondContact N-O 2.77Å; Q359-Q503 PolarHBondContact O-N 3.13Å; Q503-F517 HydrophobicContact CG-CE2 3.31Å; Q503-F517 HydrophobicContact CG-CZ 3.51Å; Q503-F517 VanDerWaalsContact NE2-CE2 3.29Å
504	P	96.3	Very high	96.9	Very high	14 Å²	14	54 Å²	54	9%	0.091	30%	0.304	C	S	.	.	S	Bend	cis	-68.9	-20.3	4.6	29.9	-39.5	0	0	0	115.9	V482 R486 C508 F517	V482-P504 HydrophobicContact CG1-CG 4.06Å; R486-P504 VanDerWaalsContact NH2-CG 3.28Å; P504-C508 HydrophobicContact CB-CB 3.84Å; P504-C508 HydrophobicContact CG-CB 4.23Å; P504-F517 HydrophobicContact CB-CB 4.3Å; P504-F517 HydrophobicContact CB-CD1 3.7Å; P504-F517 HydrophobicContact CB-CD2 3.54Å; P504-F517 HydrophobicContact CB-CE1 3.81Å; P504-F517 HydrophobicContact CB-CE2 3.65Å; P504-F517 HydrophobicContact CB-CG 3.56Å; P504-F517 HydrophobicContact CB-CZ 3.81Å; P504-F517 HydrophobicContact CG-CD1 4.42Å; P504-F517 HydrophobicContact CG-CE1 4.37Å
505	G	94	Very high	96.9	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.031	31%	0.31	C	S	.	.			trans	109	153.2	179.3	0	0	0	0	0	112.3	R486 E501 E507 C508	R486-G505 PolarHBondContact NH2-O 3.45Å; E501-G505 WeakPolarHBondContact OE2-CA 3.41Å; E501-G505 PolarHBondContact OE2-N 2.97Å; E501-G505 VanDerWaalsContact OE2-N 3.12Å; G505-E507 PolarHBondContact O-N 3.24Å; G505-E507 VanDerWaalsContact O-N 3.14Å; G505-C508 PolarHBondContact O-N 2.83Å
506	P	91.7	Very high	96.9	Very high	88 Å²	88	53.8 Å²	53.8	57%	0.571	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.9	-171.9	27.4	-36.4	0	0	0	114	Q509	P506-Q509 WeakPolarHBondContact O-CG 3.31Å; P506-Q509 PolarHBondContact O-NE2 2.95Å
507	E	94.1	Very high	96.8	Very high	136 Å²	136	51.4 Å²	51.4	64%	0.636	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.9	176.5	68.6	-79.4	-171.5	0	0	113.7	G505 Q509	G505-E507 PolarHBondContact O-N 3.24Å; G505-E507 VanDerWaalsContact O-N 3.14Å; E507-Q509 PolarHBondContact O-N 3.33Å
508	C	97.1	Very high	96.8	Very high	11 Å²	11	50.2 Å²	50.2	7%	0.074	29%	0.288	C	S	.	.			trans	-84.4	91	-178.5	-179.4	0	0	0	0	109.9	R486 P504 G505 E513	R486-C508 VanDerWaalsContact CZ-O 3.24Å; R486-C508 PolarHBondContact NH1-O 3.05Å; R486-C508 PolarHBondContact NH2-O 3.08Å; P504-C508 HydrophobicContact CB-CB 3.84Å; P504-C508 HydrophobicContact CG-CB 4.23Å; G505-C508 PolarHBondContact O-N 2.83Å; C508-E513 PolarHBondContact SG-O 2.95Å; C508-E513 VanDerWaalsContact SG-O 3.41Å
509	Q	96.3	Very high	96.8	Very high	119 Å²	119	49.4 Å²	49.4	56%	0.556	28%	0.284	S	S	*	.			trans	-118	-42.4	-171.3	-66.2	-59.2	-45.5	0	0	113.4	P506 E507 E513	P506-Q509 WeakPolarHBondContact O-CG 3.31Å; P506-Q509 PolarHBondContact O-NE2 2.95Å; E507-Q509 PolarHBondContact O-N 3.33Å; Q509-E513 PolarHBondContact N-OE2 3.26Å
510	S	98.3	Very high	96.7	Very high	55 Å²	55	51.7 Å²	51.7	39%	0.385	29%	0.293	S	S	.	.	S	Bend	trans	-73.6	154.4	-179.3	67	0	0	0	0	111.8	A512 E513 I514	S510-A512 PolarHBondContact O-N 3.14Å; S510-E513 WeakPolarHBondContact CB-OE2 3.5Å; S510-E513 PolarHBondContact N-OE2 3.36Å; S510-E513 PolarHBondContact O-N 2.89Å; S510-E513 VanDerWaalsContact O-N 3.07Å; S510-E513 WeakPolarHBondContact OG-CB 3.32Å; S510-E513 WeakPolarHBondContact OG-CG 3.35Å; S510-E513 PolarHBondContact OG-N 2.71Å; S510-E513 PolarHBondContact OG-OE2 2.64Å; S510-I514 WeakPolarHBondContact O-CG1 3.37Å; S510-I514 PolarHBondContact O-N 3.38Å
511	D	98.4	Very high	96.6	Very high	66 Å²	66	52.2 Å²	52.2	35%	0.353	29%	0.286	S	S	.	.	H	α-helix	trans	-52.7	-39	174.6	-82.7	14.1	0	0	0	112.4	R479 K483 I514 D515	R479-D511 WeakPolarHBondContact CD-OD1 3.29Å; R479-D511 IonicContact CZ-OD2 3.39Å; R479-D511 IonicContact NE-OD2 3.38Å; R479-D511 VanDerWaalsContact NH1-CG 3.34Å; R479-D511 IonicContact NH1-OD2 3.03Å; R479-D511 PolarHBondContact NH1-OD2 2.92Å; K483-D511 WeakPolarHBondContact CE-OD1 3.4Å; K483-D511 IonicContact NZ-OD1 3.79Å; K483-D511 PolarHBondContact NZ-OD1 3.27Å; K483-D511 IonicContact NZ-OD2 3.33Å; D511-I514 PolarHBondContact O-N 3.49Å; D511-D515 PolarHBondContact O-N 3.44Å
512	A	98.2	Very high	96.5	Very high	70 Å²	70	50.9 Å²	50.9	58%	0.579	28%	0.28	S	S	*	.	H	α-helix	trans	-69.2	-37.7	178.3	0	0	0	0	0	113	S510 A516	S510-A512 PolarHBondContact O-N 3.14Å; A512-A516 WeakPolarHBondContact O-CB 3.45Å; A512-A516 PolarHBondContact O-N 3.45Å
513	E	98.4	Very high	96.4	Very high	91 Å²	91	49.7 Å²	49.7	43%	0.425	27%	0.272	S	S	.	.	H	α-helix	trans	-68	-39.7	175.3	-72.1	159.7	158.7	0	0	111.2	C508 Q509 S510 A516 F517	C508-E513 PolarHBondContact SG-O 2.95Å; C508-E513 VanDerWaalsContact SG-O 3.41Å; Q509-E513 PolarHBondContact N-OE2 3.26Å; S510-E513 WeakPolarHBondContact CB-OE2 3.5Å; S510-E513 PolarHBondContact N-OE2 3.36Å; S510-E513 PolarHBondContact O-N 2.89Å; S510-E513 VanDerWaalsContact O-N 3.07Å; S510-E513 WeakPolarHBondContact OG-CB 3.32Å; S510-E513 WeakPolarHBondContact OG-CG 3.35Å; S510-E513 PolarHBondContact OG-N 2.71Å; S510-E513 PolarHBondContact OG-OE2 2.64Å; E513-A516 PolarHBondContact O-N 3.39Å; E513-F517 WeakPolarHBondContact O-CB 3.33Å; E513-F517 PolarHBondContact O-N 3.27Å
514	I	98.5	Very high	96.3	Very high	2 Å²	2	48 Å²	48	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-44.7	176.4	-64.8	170.2	0	0	0	110.2	R479 V482 K483 S510 D511 A516 F517 V518	R479-I514 HydrophobicContact CB-CG2 4.15Å; R479-I514 HydrophobicContact CG-CB 4.02Å; R479-I514 HydrophobicContact CG-CD1 4.37Å; R479-I514 HydrophobicContact CG-CG2 3.61Å; V482-I514 HydrophobicContact CB-CG2 3.84Å; V482-I514 HydrophobicContact CG1-CD1 4.42Å; V482-I514 HydrophobicContact CG1-CG1 4.43Å; V482-I514 HydrophobicContact CG1-CG2 4.05Å; V482-I514 HydrophobicContact CG2-CG2 3.86Å; K483-I514 HydrophobicContact CG-CD1 4.29Å; S510-I514 WeakPolarHBondContact O-CG1 3.37Å; S510-I514 PolarHBondContact O-N 3.38Å; D511-I514 PolarHBondContact O-N 3.49Å; I514-A516 VanDerWaalsContact C-N 3.34Å; I514-A516 PolarHBondContact O-N 2.85Å; I514-F517 WeakPolarHBondContact O-CB 3.36Å; I514-F517 PolarHBondContact O-N 3.07Å; I514-V518 HydrophobicContact CG2-CG2 4.36Å; I514-V518 VanDerWaalsContact O-CG2 3.32Å; I514-V518 WeakPolarHBondContact O-CG2 3.13Å; I514-V518 PolarHBondContact O-N 2.87Å
515	D	98.4	Very high	96.1	Very high	25 Å²	25	47.9 Å²	47.9	13%	0.134	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-44.5	176.4	-71.2	-1.3	0	0	0	111.8	V475 R479 D511 F517 V518 R519	V475-D515 HydrophobicContact CG1-CB 4.23Å; R479-D515 IonicContact CZ-OD1 3.27Å; R479-D515 IonicContact CZ-OD2 2.77Å; R479-D515 IonicContact NE-OD1 3.62Å; R479-D515 PolarHBondContact NE-OD1 3.1Å; R479-D515 IonicContact NE-OD2 3.64Å; R479-D515 IonicContact NH2-OD1 3.24Å; R479-D515 PolarHBondContact NH2-OD1 3.35Å; R479-D515 IonicContact NH2-OD2 3.23Å; R479-D515 PolarHBondContact NH2-OD2 3.45Å; D511-D515 PolarHBondContact O-N 3.44Å; D515-F517 VanDerWaalsContact C-N 3.29Å; D515-F517 PolarHBondContact O-N 2.89Å; D515-V518 PolarHBondContact O-N 3.23Å; D515-R519 WeakPolarHBondContact O-CG 3.23Å; D515-R519 PolarHBondContact O-N 3.2Å
516	A	98	Very high	96.1	Very high	55 Å²	55	49.8 Å²	49.8	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-42	177.1	0	0	0	0	0	111.3	A512 E513 I514 R519 D520	A512-A516 WeakPolarHBondContact O-CB 3.45Å; A512-A516 PolarHBondContact O-N 3.45Å; E513-A516 PolarHBondContact O-N 3.39Å; I514-A516 VanDerWaalsContact C-N 3.34Å; I514-A516 PolarHBondContact O-N 2.85Å; A516-R519 PolarHBondContact O-N 3Å; A516-D520 PolarHBondContact O-N 2.79Å; A516-D520 VanDerWaalsContact O-N 3.09Å
517	F	97.6	Very high	96.4	Very high	21 Å²	21	46.7 Å²	46.7	9%	0.092	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-47.2	173.6	165.9	-100	0	0	0	112.3	L356 V482 Q503 P504 E513 I514 D515 R519 D520 K521	L356-F517 HydrophobicContact CD1-CE1 3.85Å; V482-F517 HydrophobicContact CG2-CD1 4.39Å; V482-F517 HydrophobicContact CG2-CE1 4.29Å; Q503-F517 HydrophobicContact CG-CE2 3.31Å; Q503-F517 HydrophobicContact CG-CZ 3.51Å; Q503-F517 VanDerWaalsContact NE2-CE2 3.29Å; P504-F517 HydrophobicContact CB-CB 4.3Å; P504-F517 HydrophobicContact CB-CD1 3.7Å; P504-F517 HydrophobicContact CB-CD2 3.54Å; P504-F517 HydrophobicContact CB-CE1 3.81Å; P504-F517 HydrophobicContact CB-CE2 3.65Å; P504-F517 HydrophobicContact CB-CG 3.56Å; P504-F517 HydrophobicContact CB-CZ 3.81Å; P504-F517 HydrophobicContact CG-CD1 4.42Å; P504-F517 HydrophobicContact CG-CE1 4.37Å; E513-F517 WeakPolarHBondContact O-CB 3.33Å; E513-F517 PolarHBondContact O-N 3.27Å; I514-F517 WeakPolarHBondContact O-CB 3.36Å; I514-F517 PolarHBondContact O-N 3.07Å; D515-F517 VanDerWaalsContact C-N 3.29Å; D515-F517 PolarHBondContact O-N 2.89Å; F517-R519 VanDerWaalsContact C-N 3.32Å; F517-R519 PolarHBondContact O-N 3.19Å; F517-D520 PolarHBondContact O-N 2.97Å; F517-D520 VanDerWaalsContact O-N 3.14Å; F517-K521 HydrophobicContact CD2-CB 4.27Å; F517-K521 HydrophobicContact CD2-CG 3.73Å; F517-K521 HydrophobicContact CE2-CB 3.83Å; F517-K521 HydrophobicContact CE2-CG 3.44Å; F517-K521 VanDerWaalsContact CE2-CG 3.44Å; F517-K521 HydrophobicContact CZ-CB 3.97Å; F517-K521 HydrophobicContact CZ-CG 4.1Å; F517-K521 WeakPolarHBondContact O-CB 3.41Å; F517-K521 PolarHBondContact O-N 3.39Å
518	V	97.3	Very high	96.6	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-47.2	176.8	166.2	0	0	0	0	110.2	L469 F478 V482 I514 D515 D520 K521 A522	L469-V518 HydrophobicContact CD1-CG1 3.58Å; F478-V518 HydrophobicContact CB-CB 4.46Å; F478-V518 HydrophobicContact CB-CG1 3.59Å; F478-V518 HydrophobicContact CB-CG2 4.02Å; F478-V518 HydrophobicContact CD1-CG1 3.95Å; F478-V518 HydrophobicContact CG-CG1 3.85Å; V482-V518 HydrophobicContact CG2-CG2 4.39Å; I514-V518 HydrophobicContact CG2-CG2 4.36Å; I514-V518 VanDerWaalsContact O-CG2 3.32Å; I514-V518 WeakPolarHBondContact O-CG2 3.13Å; I514-V518 PolarHBondContact O-N 2.87Å; D515-V518 PolarHBondContact O-N 3.23Å; V518-D520 VanDerWaalsContact C-N 3.26Å; V518-D520 PolarHBondContact O-N 3.48Å; V518-K521 PolarHBondContact O-N 3.39Å; V518-A522 HydrophobicContact CG1-CB 4.25Å; V518-A522 WeakPolarHBondContact O-CB 3.43Å; V518-A522 PolarHBondContact O-N 3.19Å
519	R	97	Very high	96.7	Very high	63 Å²	63	40.2 Å²	40.2	24%	0.238	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-33.5	178.5	-67.4	-177.1	-167.6	-74	1	112.8	H130 V131 R134 L469 D515 A516 F517	H130-R519 WeakPolarHBondContact O-CD 3.27Å; H130-R519 VanDerWaalsContact O-CG 3.3Å; H130-R519 WeakPolarHBondContact O-CG 3.42Å; H130-R519 PolarHBondContact O-NH1 3.14Å; V131-R519 CarbonylContact C-O 3.43Å; V131-R519 WeakPolarHBondContact CA-O 3.32Å; V131-R519 WeakPolarHBondContact CB-O 3.45Å; R134-R519 PolarHBondContact NE-O 3.27Å; R134-R519 PolarHBondContact NH2-O 3.17Å; L469-R519 HydrophobicContact CD1-CG 4.32Å; D515-R519 WeakPolarHBondContact O-CG 3.23Å; D515-R519 PolarHBondContact O-N 3.2Å; A516-R519 PolarHBondContact O-N 3Å; F517-R519 VanDerWaalsContact C-N 3.32Å; F517-R519 PolarHBondContact O-N 3.19Å
520	D	95.8	Very high	96.8	Very high	67 Å²	67	34.5 Å²	34.5	36%	0.358	19%	0.192	S	C	.	.	H	α-helix	trans	-80.3	-29.3	178.7	-169.9	62.2	0	0	0	113.6	R134 A516 F517 V518	R134-D520 VanDerWaalsContact CZ-C 3.46Å; R134-D520 PolarHBondContact NE-O 3.49Å; R134-D520 PolarHBondContact NH1-O 3.11Å; A516-D520 PolarHBondContact O-N 2.79Å; A516-D520 VanDerWaalsContact O-N 3.09Å; F517-D520 PolarHBondContact O-N 2.97Å; F517-D520 VanDerWaalsContact O-N 3.14Å; V518-D520 VanDerWaalsContact C-N 3.26Å; V518-D520 PolarHBondContact O-N 3.48Å
521	K	95.1	Very high	96.8	Very high	95 Å²	95	31.9 Å²	31.9	41%	0.413	17%	0.174	S	C	.	.	H	α-helix	trans	-123.1	-18	-165.3	-61.9	-59.2	-167.7	-136.9	0	116.6	F517 V518	F517-K521 HydrophobicContact CD2-CB 4.27Å; F517-K521 HydrophobicContact CD2-CG 3.73Å; F517-K521 HydrophobicContact CE2-CB 3.83Å; F517-K521 HydrophobicContact CE2-CG 3.44Å; F517-K521 VanDerWaalsContact CE2-CG 3.44Å; F517-K521 HydrophobicContact CZ-CB 3.97Å; F517-K521 HydrophobicContact CZ-CG 4.1Å; F517-K521 WeakPolarHBondContact O-CB 3.41Å; F517-K521 PolarHBondContact O-N 3.39Å; V518-K521 PolarHBondContact O-N 3.39Å
522	A	94.9	Very high	96.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.			trans	-60.1	143.5	174.4	0	0	0	0	0	110	R134 M136 L354 E355 F478 V518	R134-A522 VanDerWaalsContact CZ-O 3.28Å; R134-A522 PolarHBondContact NH1-O 3.46Å; R134-A522 PolarHBondContact NH2-O 3.42Å; M136-A522 WeakPolarHBondContact CE-O 3.46Å; L354-A522 HydrophobicContact CD2-CB 3.9Å; E355-A522 CarbonylContact O-C 3.23Å; E355-A522 WeakPolarHBondContact O-CA 2.82Å; F478-A522 HydrophobicContact CE1-CB 4.32Å; V518-A522 HydrophobicContact CG1-CB 4.25Å; V518-A522 WeakPolarHBondContact O-CB 3.43Å; V518-A522 PolarHBondContact O-N 3.19Å
523	D	93.1	Very high	96.8	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.134	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	168.4	179.2	-141.9	-47.3	0	0	0	110.6	L354 E355 H426	L354-D523 CarbonylContact C-O 3.59Å; L354-D523 VanDerWaalsContact CA-O 3.23Å; L354-D523 WeakPolarHBondContact CA-O 3.49Å; E355-D523 PolarHBondContact N-O 3.48Å; E355-D523 PolarHBondContact O-N 2.85Å; H426-D523 IonicContact CE1-OD1 3.22Å; H426-D523 IonicContact CE1-OD2 3.78Å; H426-D523 PolarHBondContact CE1-OD2 3.21Å; H426-D523 IonicContact NE2-OD1 3.46Å; H426-D523 IonicContact NE2-OD2 3.59Å; H426-D523 PolarHBondContact NE2-OD2 2.85Å
524	S	93.2	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	134	178.3	174.3	0	0	0	0	111	D352 Y468 Y526	D352-S524 PolarHBondContact OD2-OG 2.8Å; Y468-S524 WeakPolarHBondContact OH-CB 3.37Å; S524-Y526 WeakPolarHBondContact O-CD1 3.43Å; S524-Y526 WeakPolarHBondContact O-CE1 3.37Å; S524-Y526 PolarHBondContact O-N 3.34Å; S524-Y526 WeakPolarHBondContact OG-CA 3.36Å; S524-Y526 PolarHBondContact OG-N 2.92Å
525	A	93.3	Very high	96.8	Very high	13 Å²	13	22.9 Å²	22.9	11%	0.107	12%	0.117	C	C	.	.			trans	-80	5.1	165.5	0	0	0	0	0	112.2	H353 E355 H527	H353-A525 HydrophobicContact CB-CB 4.01Å; H353-A525 WeakPolarHBondContact O-CB 3.33Å; H353-A525 PolarHBondContact O-N 3.1Å; E355-A525 HydrophobicContact CB-CB 4.27Å; E355-A525 HydrophobicContact CG-CB 3.92Å; A525-H527 PolarHBondContact O-CE1 2.65Å
526	Y	94.3	Very high	96.7	Very high	43 Å²	43	23.7 Å²	23.7	17%	0.169	12%	0.124	C	C	.	.	S	Bend	trans	64.4	44	176.6	-41.6	-46.4	0	0	0	115.6	L114 Y137 P139 H426 S524 P528	L114-Y526 HydrophobicContact CD1-CE2 4.46Å; Y137-Y526 WeakPolarHBondContact O-CE1 3.46Å; P139-Y526 HydrophobicContact CG-CD1 3.97Å; P139-Y526 HydrophobicContact CG-CD2 3.93Å; P139-Y526 HydrophobicContact CG-CE1 3.75Å; P139-Y526 HydrophobicContact CG-CE2 3.67Å; P139-Y526 HydrophobicContact CG-CG 4.04Å; H426-Y526 PolarHBondContact CE1-OH 3.39Å; H426-Y526 VanDerWaalsContact CE1-OH 3.24Å; H426-Y526 VanDerWaalsContact CG-OH 3.28Å; H426-Y526 AromaticContact ND1-CZ 3.94Å; H426-Y526 PolarHBondContact ND1-OH 2.88Å; S524-Y526 WeakPolarHBondContact O-CD1 3.43Å; S524-Y526 WeakPolarHBondContact O-CE1 3.37Å; S524-Y526 PolarHBondContact O-N 3.34Å; S524-Y526 WeakPolarHBondContact OG-CA 3.36Å; S524-Y526 PolarHBondContact OG-N 2.92Å; Y526-P528 WeakPolarHBondContact O-CD 3.41Å
527	H	97.5	Very high	96.5	Very high	22 Å²	22	25.6 Å²	25.6	10%	0.102	13%	0.132	C	C	.	.			trans	-115.1	44.1	179.3	-62.3	143	0	0	0	113.2	D352 H353 A525 S529 N571 L572	D352-H527 WeakPolarHBondContact OD1-CA 3.3Å; D352-H527 WeakPolarHBondContact OD1-CB 3.4Å; D352-H527 PolarHBondContact OD1-N 3.35Å; H353-H527 HydrophobicContact CB-CB 4.18Å; H353-H527 AromaticContact CG-ND1 3.82Å; H353-H527 AromaticContact ND1-CG 3.7Å; H353-H527 AromaticContact ND1-ND1 3.17Å; H353-H527 PolarHBondContact ND1-ND1 2.7Å; H353-H527 VanDerWaalsContact ND1-ND1 3.17Å; A525-H527 PolarHBondContact O-CE1 2.65Å; H527-S529 PolarHBondContact O-N 3.44Å; H527-N571 PolarHBondContact CE1-ND2 3.06Å; H527-N571 VanDerWaalsContact CE1-ND2 3.26Å; H527-N571 PolarHBondContact NE2-ND2 3.29Å; H527-L572 HydrophobicContact CB-CD1 3.77Å; H527-L572 HydrophobicContact CB-CG 3.81Å; H527-L572 WeakPolarHBondContact O-CD1 3.16Å
528	P	97.8	Very high	96.4	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.071	16%	0.161	C	C	.	.			trans	-64.4	138.3	177	29.4	-35.2	0	0	0	110.7	W138 A314 L350 Q351 Y526	W138-P528 HydrophobicContact CE3-CB 4.41Å; W138-P528 HydrophobicContact CE3-CG 4.42Å; W138-P528 HydrophobicContact CH2-CB 4.15Å; W138-P528 HydrophobicContact CZ3-CB 3.76Å; W138-P528 HydrophobicContact CZ3-CG 4.25Å; A314-P528 VanDerWaalsContact CB-C 3.41Å; A314-P528 HydrophobicContact CB-CB 4.16Å; A314-P528 WeakPolarHBondContact CB-O 3.33Å; L350-P528 HydrophobicContact CD1-CB 3.96Å; Q351-P528 CarbonylContact O-C 3.47Å; Q351-P528 WeakPolarHBondContact O-CA 3.33Å; Y526-P528 WeakPolarHBondContact O-CD 3.41Å
529	S	98.6	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-155.4	-178.3	-173.6	61	0	0	0	0	111.8	Q351 H527 T531 A561	Q351-S529 PolarHBondContact N-O 2.94Å; Q351-S529 PolarHBondContact O-N 2.81Å; Q351-S529 PolarHBondContact O-OG 2.76Å; Q351-S529 VanDerWaalsContact O-OG 3.14Å; H527-S529 PolarHBondContact O-N 3.44Å; S529-T531 PolarHBondContact O-N 3.28Å; S529-T531 VanDerWaalsContact O-N 3.08Å; S529-A561 WeakPolarHBondContact CA-O 3.45Å; S529-A561 WeakPolarHBondContact CB-O 3.31Å
530	C	98.8	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.			trans	71.2	0.7	164	-51.8	0	0	0	0	117.9	N349 Q351 C532 K533 A561 S562 M564 V567	N349-C530 CarbonylContact O-C 3.01Å; N349-C530 WeakPolarHBondContact O-CB 3.23Å; Q351-C530 HydrophobicContact CB-CB 4.32Å; Q351-C530 HydrophobicContact CG-CB 4.31Å; C530-C532 VanDerWaalsContact C-N 3.26Å; C530-C532 PolarHBondContact O-N 2.85Å; C530-K533 PolarHBondContact O-N 3.23Å; C530-A561 PolarHBondContact N-O 2.76Å; C530-A561 VanDerWaalsContact N-O 3.11Å; C530-S562 CarbonylContact C-O 3.59Å; C530-S562 WeakPolarHBondContact CA-O 3.17Å; C530-S562 PolarHBondContact N-O 2.8Å; C530-M564 WeakPolarHBondContact CA-O 3.5Å; C530-M564 VanDerWaalsContact CB-O 3.26Å; C530-M564 WeakPolarHBondContact CB-O 3.4Å; C530-M564 PolarHBondContact SG-O 3.11Å; C530-V567 PolarHBondContact SG-N 2.69Å; C530-V567 VanDerWaalsContact SG-N 3.42Å
531	T	98.9	Very high	96.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.3	-176.9	49.8	0	0	0	0	116.8	A314 G347 S348 L350 S529 S562	A314-T531 VanDerWaalsContact C-OG1 3.3Å; A314-T531 WeakPolarHBondContact CA-OG1 3.48Å; A314-T531 WeakPolarHBondContact O-CB 3.44Å; A314-T531 WeakPolarHBondContact O-CG2 3.47Å; A314-T531 PolarHBondContact O-OG1 3.28Å; G347-T531 PolarHBondContact N-O 2.68Å; S348-T531 VanDerWaalsContact O-CA 3.29Å; S348-T531 WeakPolarHBondContact O-CA 3.46Å; L350-T531 HydrophobicContact CB-CG2 3.78Å; L350-T531 HydrophobicContact CD1-CG2 3.6Å; L350-T531 HydrophobicContact CG-CG2 4.24Å; S529-T531 PolarHBondContact O-N 3.28Å; S529-T531 VanDerWaalsContact O-N 3.08Å; T531-S562 PolarHBondContact N-O 3.48Å; T531-S562 VanDerWaalsContact N-O 3.13Å; T531-S562 WeakPolarHBondContact OG1-CB 3.33Å
532	C	98.9	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	46.2	171.9	-63.6	0	0	0	0	109.3	C530 M534 V543 V558 S562 I563	C530-C532 VanDerWaalsContact C-N 3.26Å; C530-C532 PolarHBondContact O-N 2.85Å; C532-M534 PolarHBondContact O-N 3.14Å; C532-V543 HydrophobicContact CB-CB 4.11Å; C532-V543 HydrophobicContact CB-CG1 3.86Å; C532-V558 HydrophobicContact CB-CG1 4.31Å; C532-S562 CarbonylContact C-O 3.52Å; C532-S562 VanDerWaalsContact C-O 3.23Å; C532-S562 WeakPolarHBondContact CA-O 3.41Å; C532-S562 WeakPolarHBondContact CB-OG 3.43Å; C532-S562 PolarHBondContact N-O 3.46Å; C532-I563 HydrophobicContact CB-CG2 4.39Å; C532-I563 WeakPolarHBondContact O-CA 3.28Å
533	K	98.6	Very high	96.9	Very high	37 Å²	37	29 Å²	29	16%	0.161	17%	0.173	C	C	.	.			trans	-35.2	126.8	-173.7	168.7	168.5	-169.9	-138.8	0	113.8	C530 D539 V543 V544 S562 P565	C530-K533 PolarHBondContact O-N 3.23Å; K533-D539 IonicContact NZ-OD2 3.15Å; K533-D539 PolarHBondContact NZ-OD2 3.21Å; K533-V543 PolarHBondContact O-N 3.22Å; K533-V544 PolarHBondContact O-N 3.3Å; K533-S562 PolarHBondContact N-O 2.64Å; K533-P565 HydrophobicContact CG-CB 4.44Å
534	M	98.8	Very high	97.2	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.015	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-74.5	142.6	166.1	-175.5	-175.2	-50.1	0	0	110.8	A171 W174 C532 V544 D545 T548 I563 P565	A171-M534 HydrophobicContact CB-CG 3.99Å; A171-M534 HydrophobicContact CB-SD 3.61Å; W174-M534 VanDerWaalsContact CD1-SD 3.51Å; W174-M534 HydrophobicContact CD2-CE 4.19Å; W174-M534 HydrophobicContact CD2-SD 4.06Å; W174-M534 HydrophobicContact CG-SD 3.98Å; W174-M534 HydrophobicContact CH2-CE 4.36Å; W174-M534 HydrophobicContact CZ2-CE 3.78Å; W174-M534 HydrophobicContact CZ2-SD 4.34Å; W174-M534 PolarHBondContact NE1-SD 2.87Å; C532-M534 PolarHBondContact O-N 3.14Å; M534-V544 WeakPolarHBondContact CA-O 3.46Å; M534-V544 HydrophobicContact CB-CG2 3.75Å; M534-V544 HydrophobicContact CG-CG2 4.09Å; M534-D545 WeakPolarHBondContact CG-O 3.24Å; M534-T548 HydrophobicContact CE-CG2 4.24Å; M534-I563 HydrophobicContact CB-CB 4.45Å; M534-I563 WeakPolarHBondContact CB-O 3.41Å; M534-I563 HydrophobicContact CE-CB 4.23Å; M534-I563 HydrophobicContact CE-CD1 3.38Å; M534-I563 HydrophobicContact CE-CG1 3.67Å; M534-I563 PolarHBondContact N-O 3.09Å; M534-P565 HydrophobicContact CB-CG 4.15Å; M534-P565 WeakPolarHBondContact O-CG 3.24Å
535	G	98	Very high	97.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.169	C	C	.	.			trans	-174.9	-178.3	174.4	0	0	0	0	0	112.8	G170 V544	G170-G535 CarbonylContact O-C 3.54Å; G535-V544 PolarHBondContact N-O 3.42Å
536	S	95.9	Very high	97.7	Very high	42 Å²	42	28.8 Å²	28.8	29%	0.294	17%	0.171	S	C	.	.			trans	-58	144.3	172.9	172.8	0	0	0	0	110.2	G170 S538 D539	G170-S536 PolarHBondContact O-N 3Å; S536-S538 PolarHBondContact O-N 2.93Å; S536-S538 PolarHBondContact OG-N 2.83Å; S536-S538 PolarHBondContact OG-OG 3.26Å; S536-D539 WeakPolarHBondContact O-CB 3.5Å; S536-D539 PolarHBondContact O-N 3.4Å
537	P	94.3	Very high	97.9	Very high	94 Å²	94	30.7 Å²	30.7	61%	0.61	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-16.9	170.2	-26.3	35.1	0	0	0	114.8	D545 L551	P537-D545 HydrophobicContact CG-CB 4.48Å; P537-L551 HydrophobicContact CB-CD2 3.99Å; P537-L551 HydrophobicContact CG-CD2 4.11Å
538	S	95.1	Very high	98	Very high	102 Å²	102	29.7 Å²	29.7	71%	0.713	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-11.7	174.7	66.7	0	0	0	0	114.4	S536 P540	S536-S538 PolarHBondContact O-N 2.93Å; S536-S538 PolarHBondContact OG-N 2.83Å; S536-S538 PolarHBondContact OG-OG 3.26Å; S538-P540 WeakPolarHBondContact O-CD 3.14Å
539	D	97.5	Very high	98	Very high	35 Å²	35	34.8 Å²	34.8	19%	0.187	19%	0.194	C	C	.	.			trans	-75.8	115.8	174.7	177.4	-3.9	0	0	0	108.7	K533 S536 M541 A542	K533-D539 IonicContact NZ-OD2 3.15Å; K533-D539 PolarHBondContact NZ-OD2 3.21Å; S536-D539 WeakPolarHBondContact O-CB 3.5Å; S536-D539 PolarHBondContact O-N 3.4Å; D539-M541 PolarHBondContact O-N 2.88Å; D539-M541 VanDerWaalsContact O-N 3.11Å; D539-M541 PolarHBondContact OD1-N 2.79Å; D539-A542 HydrophobicContact CB-CB 3.85Å; D539-A542 PolarHBondContact O-N 3.42Å; D539-A542 VanDerWaalsContact O-N 3.11Å
540	P	97.3	Very high	98	Very high	103 Å²	103	34.8 Å²	34.8	67%	0.669	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.1	-178.1	28.4	-36.3	0	0	0	113.6	S538	S538-P540 WeakPolarHBondContact O-CD 3.14Å
541	M	98.3	Very high	98	Very high	79 Å²	79	36 Å²	36	39%	0.389	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-4	178.8	-62.5	-55.4	-66.8	0	0	113.1	P344 G345 D539	P344-M541 HydrophobicContact CG-SD 4.36Å; G345-M541 WeakPolarHBondContact CA-O 3.28Å; D539-M541 PolarHBondContact O-N 2.88Å; D539-M541 VanDerWaalsContact O-N 3.11Å; D539-M541 PolarHBondContact OD1-N 2.79Å
542	A	98.6	Very high	98	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	22%	0.223	C	C	.	.			trans	-68.5	142.5	172.6	0	0	0	0	0	110.6	D539 L551	D539-A542 HydrophobicContact CB-CB 3.85Å; D539-A542 PolarHBondContact O-N 3.42Å; D539-A542 VanDerWaalsContact O-N 3.11Å; A542-L551 HydrophobicContact CB-CD1 3.67Å
543	V	98.9	Very high	98	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-108.7	-38.7	176.4	175.9	0	0	0	0	110.3	L321 L343 V346 C532 K533 V550 L551	L321-V543 HydrophobicContact CD1-CG1 4.22Å; L343-V543 HydrophobicContact CD1-CG1 4.41Å; V346-V543 HydrophobicContact CB-CG2 4.49Å; V346-V543 HydrophobicContact CG2-CB 4.48Å; V346-V543 HydrophobicContact CG2-CG1 3.76Å; V346-V543 HydrophobicContact CG2-CG2 3.87Å; C532-V543 HydrophobicContact CB-CB 4.11Å; C532-V543 HydrophobicContact CB-CG1 3.86Å; K533-V543 PolarHBondContact O-N 3.22Å; V543-V550 WeakPolarHBondContact O-CA 3.48Å; V543-L551 PolarHBondContact O-N 3.17Å
544	V	98.9	Very high	98	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-121.4	150.9	174.2	-56.5	0	0	0	0	111.6	K533 M534 G535 R549 V550 V558 I563	K533-V544 PolarHBondContact O-N 3.3Å; M534-V544 WeakPolarHBondContact CA-O 3.46Å; M534-V544 HydrophobicContact CB-CG2 3.75Å; M534-V544 HydrophobicContact CG-CG2 4.09Å; G535-V544 PolarHBondContact N-O 3.42Å; V544-R549 CarbonylContact C-O 3.58Å; V544-R549 WeakPolarHBondContact CA-O 3.43Å; V544-R549 WeakPolarHBondContact CB-O 3.34Å; V544-V550 HydrophobicContact CG1-CG2 4.17Å; V544-V558 HydrophobicContact CG1-CB 3.96Å; V544-V558 HydrophobicContact CG1-CG2 4.08Å; V544-I563 HydrophobicContact CG1-CG2 4.42Å; V544-I563 HydrophobicContact CG2-CB 3.87Å; V544-I563 HydrophobicContact CG2-CG2 3.88Å
545	D	98.8	Very high	98	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.059	25%	0.25	C	S	.	.			trans	-79.2	174.6	169.9	70.4	6.8	0	0	0	111.8	M534 P537 E547 T548 R549 L551	M534-D545 WeakPolarHBondContact CG-O 3.24Å; P537-D545 HydrophobicContact CG-CB 4.48Å; D545-E547 PolarHBondContact O-N 3.08Å; D545-E547 VanDerWaalsContact O-N 3.08Å; D545-E547 VanDerWaalsContact OD1-C 3.31Å; D545-E547 WeakPolarHBondContact OD1-CA 3.44Å; D545-E547 WeakPolarHBondContact OD1-CB 3.18Å; D545-E547 PolarHBondContact OD1-N 2.93Å; D545-T548 WeakPolarHBondContact O-CA 3.42Å; D545-T548 PolarHBondContact O-N 3.33Å; D545-T548 PolarHBondContact OD1-N 3.41Å; D545-T548 VanDerWaalsContact OD1-N 3.12Å; D545-R549 PolarHBondContact N-O 2.92Å; D545-R549 WeakPolarHBondContact OD1-CB 3.43Å; D545-R549 PolarHBondContact OD1-N 3.15Å; D545-R549 IonicContact OD1-NE 3.67Å; D545-R549 IonicContact OD2-CZ 3.13Å; D545-R549 IonicContact OD2-NE 2.75Å; D545-R549 PolarHBondContact OD2-NE 3.03Å; D545-R549 IonicContact OD2-NH2 2.69Å; D545-R549 PolarHBondContact OD2-NH2 2.71Å; D545-L551 HydrophobicContact CB-CD2 3.85Å
546	P	98.4	Very high	98	Very high	21 Å²	21	43.3 Å²	43.3	14%	0.136	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.8	177.4	-26.4	37.1	0	0	0	114.9	E172 W174 T548	E172-P546 HydrophobicContact CB-CB 4.49Å; E172-P546 HydrophobicContact CB-CG 4.22Å; W174-P546 PolarHBondContact NE1-O 3.48Å; P546-T548 VanDerWaalsContact C-N 3.27Å
547	E	98.4	Very high	98.2	Very high	84 Å²	84	42.4 Å²	42.4	39%	0.393	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	3.8	173	-59.7	-61.1	152.2	0	0	112	D545 R549 R557 I586	D545-E547 PolarHBondContact O-N 3.08Å; D545-E547 VanDerWaalsContact O-N 3.08Å; D545-E547 VanDerWaalsContact OD1-C 3.31Å; D545-E547 WeakPolarHBondContact OD1-CA 3.44Å; D545-E547 WeakPolarHBondContact OD1-CB 3.18Å; D545-E547 PolarHBondContact OD1-N 2.93Å; E547-R549 VanDerWaalsContact C-N 3.27Å; E547-R549 HydrophobicContact CB-CG 4.25Å; E547-R549 PolarHBondContact O-N 2.98Å; E547-R557 PolarHBondContact O-NH1 3.26Å; E547-I586 HydrophobicContact CB-CG2 4.28Å; E547-I586 WeakPolarHBondContact OE2-CG2 3.22Å
548	T	98.8	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.			trans	69.8	13	-177.8	74.9	0	0	0	0	115.3	W174 M534 D545 P546 R557 V558 I563 A583	W174-T548 HydrophobicContact CZ2-CG2 4.04Å; M534-T548 HydrophobicContact CE-CG2 4.24Å; D545-T548 WeakPolarHBondContact O-CA 3.42Å; D545-T548 PolarHBondContact O-N 3.33Å; D545-T548 PolarHBondContact OD1-N 3.41Å; D545-T548 VanDerWaalsContact OD1-N 3.12Å; P546-T548 VanDerWaalsContact C-N 3.27Å; T548-R557 VanDerWaalsContact O-CA 3.26Å; T548-R557 WeakPolarHBondContact O-CA 3.36Å; T548-R557 VanDerWaalsContact O-CB 3.28Å; T548-R557 WeakPolarHBondContact O-CB 3.4Å; T548-V558 PolarHBondContact O-N 3Å; T548-I563 HydrophobicContact CG2-CD1 3.82Å; T548-A583 HydrophobicContact CG2-CB 4.21Å
549	R	98.9	Very high	98.6	Very high	118 Å²	118	33 Å²	33	45%	0.445	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-81.4	137.2	177.7	-58	176.2	-66.3	-162.7	-2.9	110.3	V544 D545 E547 L551 R557	V544-R549 CarbonylContact C-O 3.58Å; V544-R549 WeakPolarHBondContact CA-O 3.43Å; V544-R549 WeakPolarHBondContact CB-O 3.34Å; D545-R549 PolarHBondContact N-O 2.92Å; D545-R549 WeakPolarHBondContact OD1-CB 3.43Å; D545-R549 PolarHBondContact OD1-N 3.15Å; D545-R549 IonicContact OD1-NE 3.67Å; D545-R549 IonicContact OD2-CZ 3.13Å; D545-R549 IonicContact OD2-NE 2.75Å; D545-R549 PolarHBondContact OD2-NE 3.03Å; D545-R549 IonicContact OD2-NH2 2.69Å; D545-R549 PolarHBondContact OD2-NH2 2.71Å; E547-R549 VanDerWaalsContact C-N 3.27Å; E547-R549 HydrophobicContact CB-CG 4.25Å; E547-R549 PolarHBondContact O-N 2.98Å; R549-L551 PolarHBondContact O-N 3.38Å; R549-R557 HydrophobicContact CG-CG 4.39Å; R549-R557 VanDerWaalsContact CG-NH1 3.34Å
550	V	98.9	Very high	98.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-67.7	124.9	175.6	-179.1	0	0	0	0	109.8	V326 L343 V543 V544 G552 L553 L556 V558	V326-V550 HydrophobicContact CG1-CG1 4.36Å; L343-V550 HydrophobicContact CD1-CG1 3.64Å; V543-V550 WeakPolarHBondContact O-CA 3.48Å; V544-V550 HydrophobicContact CG1-CG2 4.17Å; V550-G552 PolarHBondContact O-N 3.29Å; V550-L553 HydrophobicContact CG1-CD1 3.89Å; V550-L553 PolarHBondContact O-N 3.32Å; V550-L556 HydrophobicContact CB-CB 4.41Å; V550-L556 HydrophobicContact CB-CD2 4.12Å; V550-L556 HydrophobicContact CB-CG 4.21Å; V550-L556 HydrophobicContact CG1-CD2 4.37Å; V550-L556 HydrophobicContact CG2-CB 4.33Å; V550-L556 HydrophobicContact CG2-CD2 3.88Å; V550-L556 HydrophobicContact CG2-CG 3.72Å; V550-L556 PolarHBondContact N-O 2.95Å; V550-V558 HydrophobicContact CG2-CG2 3.77Å
551	L	98.8	Very high	98.7	Very high	26 Å²	26	27.1 Å²	27.1	14%	0.136	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	132.7	-174.3	-70.5	174.4	0	0	0	111.7	L343 P537 A542 V543 D545 R549 L553	L343-L551 HydrophobicContact CD2-CB 4.07Å; P537-L551 HydrophobicContact CB-CD2 3.99Å; P537-L551 HydrophobicContact CG-CD2 4.11Å; A542-L551 HydrophobicContact CB-CD1 3.67Å; V543-L551 PolarHBondContact O-N 3.17Å; D545-L551 HydrophobicContact CB-CD2 3.85Å; R549-L551 PolarHBondContact O-N 3.38Å; L551-L553 VanDerWaalsContact C-N 3.27Å; L551-L553 PolarHBondContact O-N 3.17Å
552	G	98.1	Very high	98.7	Very high	44 Å²	44	23.3 Å²	23.3	45%	0.454	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	1.6	179.4	0	0	0	0	0	115.4	V550	V550-G552 PolarHBondContact O-N 3.29Å
553	L	98.7	Very high	98.8	Very high	16 Å²	16	23.3 Å²	23.3	8%	0.084	12%	0.123	C	C	.	.			trans	-124.6	154.8	178.9	-65	174	0	0	0	111.7	F283 R286 V326 V340 Q341 V550 L551 L556	F283-L553 HydrophobicContact CE1-CD1 3.95Å; F283-L553 HydrophobicContact CE1-CD2 4.04Å; F283-L553 HydrophobicContact CZ-CD1 4.08Å; R286-L553 HydrophobicContact CB-CD2 4.24Å; R286-L553 WeakPolarHBondContact O-CA 3.3Å; R286-L553 WeakPolarHBondContact O-CD2 3.45Å; V326-L553 HydrophobicContact CB-CD1 4.48Å; V326-L553 HydrophobicContact CG1-CD1 3.99Å; V326-L553 HydrophobicContact CG2-CD1 3.61Å; V340-L553 HydrophobicContact CG1-CD2 4.07Å; Q341-L553 HydrophobicContact CB-CD1 4.11Å; Q341-L553 HydrophobicContact CB-CD2 3.94Å; Q341-L553 HydrophobicContact CB-CG 4.05Å; Q341-L553 HydrophobicContact CG-CD1 4.47Å; Q341-L553 HydrophobicContact CG-CD2 4.47Å; Q341-L553 HydrophobicContact CG-CG 4.19Å; V550-L553 HydrophobicContact CG1-CD1 3.89Å; V550-L553 PolarHBondContact O-N 3.32Å; L551-L553 VanDerWaalsContact C-N 3.27Å; L551-L553 PolarHBondContact O-N 3.17Å; L553-L556 HydrophobicContact CD1-CD2 3.91Å
554	E	98.7	Very high	98.8	Very high	119 Å²	119	23.3 Å²	23.3	56%	0.556	12%	0.123	S	C	*	.	B	Isolated β-bridge	trans	-109.5	149.6	176.7	-64.9	176.9	-158.4	0	0	110.9	R286 R287 A288 L556	R286-E554 PolarHBondContact O-N 2.93Å; R287-E554 CarbonylContact C-O 3.55Å; R287-E554 WeakPolarHBondContact CA-O 3.32Å; R287-E554 HydrophobicContact CB-CB 4.14Å; R287-E554 HydrophobicContact CG-CB 4.23Å; A288-E554 PolarHBondContact N-O 3.25Å; E554-L556 PolarHBondContact O-N 2.66Å
555	G	98.6	Very high	98.7	Very high	11 Å²	11	23.4 Å²	23.4	11%	0.113	12%	0.123	C	C	.	.	S	Bend	trans	67.7	19	174.8	0	0	0	0	0	114.5	E307 V308	E307-G555 CarbonylContact C-O 3.46Å; E307-G555 WeakPolarHBondContact CA-O 3.37Å; V308-G555 PolarHBondContact N-O 2.8Å
556	L	98.9	Very high	98.7	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.2	-178.6	-173	62.6	0	0	0	111.6	I281 F283 A288 V308 L310 L321 V550 L553 E554	I281-L556 HydrophobicContact CD1-CD1 3.96Å; I281-L556 HydrophobicContact CD1-CD2 4.12Å; F283-L556 HydrophobicContact CE1-CD2 4.4Å; F283-L556 HydrophobicContact CZ-CD2 4.15Å; A288-L556 HydrophobicContact CB-CB 3.86Å; A288-L556 HydrophobicContact CB-CD1 4.29Å; A288-L556 HydrophobicContact CB-CG 4.48Å; V308-L556 HydrophobicContact CB-CD1 4Å; V308-L556 HydrophobicContact CG1-CD1 3.99Å; V308-L556 WeakPolarHBondContact O-CA 3.16Å; L310-L556 HydrophobicContact CG-CD1 4.24Å; L321-L556 HydrophobicContact CD2-CD2 3.83Å; V550-L556 HydrophobicContact CB-CB 4.41Å; V550-L556 HydrophobicContact CB-CD2 4.12Å; V550-L556 HydrophobicContact CB-CG 4.21Å; V550-L556 HydrophobicContact CG1-CD2 4.37Å; V550-L556 HydrophobicContact CG2-CB 4.33Å; V550-L556 HydrophobicContact CG2-CD2 3.88Å; V550-L556 HydrophobicContact CG2-CG 3.72Å; V550-L556 PolarHBondContact N-O 2.95Å; L553-L556 HydrophobicContact CD1-CD2 3.91Å; E554-L556 PolarHBondContact O-N 2.66Å
557	R	98.9	Very high	98.7	Very high	22 Å²	22	22.8 Å²	22.8	8%	0.083	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.2	173.6	-62.9	-172.1	-168.9	-107.8	-2.3	111.9	E307 V308 I309 L310 E547 T548 R549 V559	E307-R557 IonicContact OE1-CZ 3.88Å; E307-R557 VanDerWaalsContact OE1-CZ 3.32Å; E307-R557 IonicContact OE1-NE 3.16Å; E307-R557 PolarHBondContact OE1-NE 3.36Å; E307-R557 IonicContact OE1-NH2 2.78Å; E307-R557 PolarHBondContact OE1-NH2 3.22Å; E307-R557 WeakPolarHBondContact OE2-CD 3.4Å; E307-R557 IonicContact OE2-CZ 3.31Å; E307-R557 IonicContact OE2-NE 2.77Å; E307-R557 PolarHBondContact OE2-NE 2.81Å; E307-R557 IonicContact OE2-NH2 3.72Å; V308-R557 PolarHBondContact O-N 3.05Å; I309-R557 HydrophobicContact CG1-CB 4.49Å; I309-R557 HydrophobicContact CG2-CB 4.34Å; L310-R557 PolarHBondContact N-O 3.2Å; E547-R557 PolarHBondContact O-NH1 3.26Å; T548-R557 VanDerWaalsContact O-CA 3.26Å; T548-R557 WeakPolarHBondContact O-CA 3.36Å; T548-R557 VanDerWaalsContact O-CB 3.28Å; T548-R557 WeakPolarHBondContact O-CB 3.4Å; R549-R557 HydrophobicContact CG-CG 4.39Å; R549-R557 VanDerWaalsContact CG-NH1 3.34Å; R557-V559 HydrophobicContact CB-CG2 4.4Å
558	V	98.9	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.6	165.4	-171.7	0	0	0	0	108.1	L310 L321 C532 V544 T548 V550 S562 I563	L310-V558 HydrophobicContact CB-CG1 4.37Å; L310-V558 HydrophobicContact CB-CG2 4.29Å; L310-V558 HydrophobicContact CD1-CG2 4.29Å; L321-V558 HydrophobicContact CD1-CG2 4.07Å; C532-V558 HydrophobicContact CB-CG1 4.31Å; V544-V558 HydrophobicContact CG1-CB 3.96Å; V544-V558 HydrophobicContact CG1-CG2 4.08Å; T548-V558 PolarHBondContact O-N 3Å; V550-V558 HydrophobicContact CG2-CG2 3.77Å; V558-S562 VanDerWaalsContact CG1-OG 3.26Å; V558-S562 WeakPolarHBondContact CG1-OG 3.37Å; V558-I563 HydrophobicContact CB-CG2 3.81Å; V558-I563 HydrophobicContact CG1-CG2 3.7Å; V558-I563 WeakPolarHBondContact O-CG2 3.29Å
559	V	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.			trans	-138.8	89.5	-178.3	-175.7	0	0	0	0	108	A67 L71 I309 L310 S311 R557 I579 A580 A583	A67-V559 HydrophobicContact CB-CG1 4.45Å; A67-V559 WeakPolarHBondContact CB-O 3.46Å; L71-V559 HydrophobicContact CD1-CB 3.87Å; L71-V559 HydrophobicContact CD1-CG1 3.9Å; L71-V559 HydrophobicContact CD1-CG2 4.4Å; L71-V559 HydrophobicContact CD2-CG1 4.33Å; L71-V559 HydrophobicContact CG-CG1 4.38Å; I309-V559 HydrophobicContact CG2-CB 4.18Å; I309-V559 HydrophobicContact CG2-CG2 3.86Å; L310-V559 PolarHBondContact O-N 2.88Å; S311-V559 WeakPolarHBondContact CB-O 3.22Å; S311-V559 PolarHBondContact OG-O 2.82Å; R557-V559 HydrophobicContact CB-CG2 4.4Å; V559-I579 HydrophobicContact CG1-CG2 4.03Å; V559-A580 HydrophobicContact CG1-CB 4.15Å; V559-A583 HydrophobicContact CB-CB 4.4Å; V559-A583 HydrophobicContact CG1-CB 3.56Å; V559-A583 HydrophobicContact CG2-CB 3.85Å
560	D	98.9	Very high	98.5	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	8%	0.081	C	C	.	.	S	Bend	trans	-170.6	-169.3	172.7	57.5	56.5	0	0	0	110.3	A67 S311 G312 G313 S317 S562 I563	A67-D560 HydrophobicContact CB-CB 4.23Å; S311-D560 WeakPolarHBondContact CA-OD2 3.24Å; G312-D560 PolarHBondContact N-OD2 2.88Å; G313-D560 VanDerWaalsContact CA-CG 3.4Å; G313-D560 WeakPolarHBondContact CA-OD1 3.3Å; G313-D560 WeakPolarHBondContact CA-OD2 3.44Å; G313-D560 VanDerWaalsContact N-CG 3.29Å; G313-D560 PolarHBondContact N-OD2 2.96Å; S317-D560 WeakPolarHBondContact CB-OD2 3.2Å; S317-D560 PolarHBondContact OG-OD2 3.12Å; D560-S562 PolarHBondContact O-N 3.11Å; D560-S562 VanDerWaalsContact O-N 3.12Å; D560-S562 WeakPolarHBondContact OD1-CA 3.43Å; D560-S562 WeakPolarHBondContact OD1-CB 3.39Å; D560-S562 PolarHBondContact OD1-N 2.98Å; D560-S562 PolarHBondContact OD1-OG 3.17Å; D560-I563 WeakPolarHBondContact O-CG1 3.42Å; D560-I563 PolarHBondContact O-N 3.03Å
561	A	98.8	Very high	98.4	Very high	10 Å²	10	14 Å²	14	8%	0.083	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-62	-16.7	-178.9	0	0	0	0	0	115.3	S529 C530 I563 M564	S529-A561 WeakPolarHBondContact CA-O 3.45Å; S529-A561 WeakPolarHBondContact CB-O 3.31Å; C530-A561 PolarHBondContact N-O 2.76Å; C530-A561 VanDerWaalsContact N-O 3.11Å; A561-I563 PolarHBondContact O-N 3.39Å; A561-M564 HydrophobicContact CB-CE 4.05Å; A561-M564 WeakPolarHBondContact O-CG 3.39Å
562	S	98.9	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-63.4	-27.2	176.9	64.3	0	0	0	0	112.6	C530 T531 C532 K533 V558 D560 M564	C530-S562 CarbonylContact C-O 3.59Å; C530-S562 WeakPolarHBondContact CA-O 3.17Å; C530-S562 PolarHBondContact N-O 2.8Å; T531-S562 PolarHBondContact N-O 3.48Å; T531-S562 VanDerWaalsContact N-O 3.13Å; T531-S562 WeakPolarHBondContact OG1-CB 3.33Å; C532-S562 CarbonylContact C-O 3.52Å; C532-S562 VanDerWaalsContact C-O 3.23Å; C532-S562 WeakPolarHBondContact CA-O 3.41Å; C532-S562 WeakPolarHBondContact CB-OG 3.43Å; C532-S562 PolarHBondContact N-O 3.46Å; K533-S562 PolarHBondContact N-O 2.64Å; V558-S562 VanDerWaalsContact CG1-OG 3.26Å; V558-S562 WeakPolarHBondContact CG1-OG 3.37Å; D560-S562 PolarHBondContact O-N 3.11Å; D560-S562 VanDerWaalsContact O-N 3.12Å; D560-S562 WeakPolarHBondContact OD1-CA 3.43Å; D560-S562 WeakPolarHBondContact OD1-CB 3.39Å; D560-S562 PolarHBondContact OD1-N 2.98Å; D560-S562 PolarHBondContact OD1-OG 3.17Å; S562-M564 VanDerWaalsContact C-N 3.33Å; S562-M564 PolarHBondContact O-N 2.98Å
563	I	98.9	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-84.7	-7	-173	78.4	-178.6	0	0	0	114.3	C532 M534 V544 T548 V558 D560 A561 P565 I579	C532-I563 HydrophobicContact CB-CG2 4.39Å; C532-I563 WeakPolarHBondContact O-CA 3.28Å; M534-I563 HydrophobicContact CB-CB 4.45Å; M534-I563 WeakPolarHBondContact CB-O 3.41Å; M534-I563 HydrophobicContact CE-CB 4.23Å; M534-I563 HydrophobicContact CE-CD1 3.38Å; M534-I563 HydrophobicContact CE-CG1 3.67Å; M534-I563 PolarHBondContact N-O 3.09Å; V544-I563 HydrophobicContact CG1-CG2 4.42Å; V544-I563 HydrophobicContact CG2-CB 3.87Å; V544-I563 HydrophobicContact CG2-CG2 3.88Å; T548-I563 HydrophobicContact CG2-CD1 3.82Å; V558-I563 HydrophobicContact CB-CG2 3.81Å; V558-I563 HydrophobicContact CG1-CG2 3.7Å; V558-I563 WeakPolarHBondContact O-CG2 3.29Å; D560-I563 WeakPolarHBondContact O-CG1 3.42Å; D560-I563 PolarHBondContact O-N 3.03Å; A561-I563 PolarHBondContact O-N 3.39Å; I563-P565 WeakPolarHBondContact O-CD 3.2Å; I563-I579 HydrophobicContact CD1-CG2 3.53Å; I563-I579 HydrophobicContact CG1-CD1 4.36Å; I563-I579 HydrophobicContact CG1-CG2 4.16Å
564	M	98.9	Very high	98.4	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.005	6%	0.062	C	C	.	.			trans	-55.9	128.4	176	-62.8	-179	-177.3	0	0	109.3	W166 C530 A561 S562 S566 L572 P575 I579	W166-M564 HydrophobicContact CH2-CB 4.27Å; W166-M564 HydrophobicContact CH2-CG 3.73Å; W166-M564 HydrophobicContact CH2-SD 4.34Å; W166-M564 HydrophobicContact CZ2-CB 3.7Å; W166-M564 HydrophobicContact CZ2-CG 3.58Å; W166-M564 HydrophobicContact CZ2-SD 4.09Å; C530-M564 WeakPolarHBondContact CA-O 3.5Å; C530-M564 VanDerWaalsContact CB-O 3.26Å; C530-M564 WeakPolarHBondContact CB-O 3.4Å; C530-M564 PolarHBondContact SG-O 3.11Å; A561-M564 HydrophobicContact CB-CE 4.05Å; A561-M564 WeakPolarHBondContact O-CG 3.39Å; S562-M564 VanDerWaalsContact C-N 3.33Å; S562-M564 PolarHBondContact O-N 2.98Å; M564-S566 VanDerWaalsContact C-N 3.31Å; M564-L572 HydrophobicContact CE-CB 4.37Å; M564-L572 HydrophobicContact CE-CD2 4.37Å; M564-L572 HydrophobicContact SD-CD1 4.29Å; M564-L572 HydrophobicContact SD-CD2 4.16Å; M564-P575 HydrophobicContact CE-CB 3.52Å; M564-I579 HydrophobicContact CE-CD1 3.81Å; M564-I579 HydrophobicContact CG-CD1 3.9Å
565	P	98.6	Very high	98.4	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.006	4%	0.035	C	C	.	.	S	Bend	trans	-65.1	-38.8	176.5	-23.6	32.7	0	0	0	113.1	W166 E169 A171 N349 K533 M534 I563	W166-P565 HydrophobicContact CB-CG 4.12Å; W166-P565 HydrophobicContact CG-CG 4.03Å; E169-P565 HydrophobicContact CB-CB 4.08Å; E169-P565 WeakPolarHBondContact OE2-CB 3.43Å; A171-P565 HydrophobicContact CB-CG 3.79Å; N349-P565 PolarHBondContact ND2-O 3.22Å; K533-P565 HydrophobicContact CG-CB 4.44Å; M534-P565 HydrophobicContact CB-CG 4.15Å; M534-P565 WeakPolarHBondContact O-CG 3.24Å; I563-P565 WeakPolarHBondContact O-CD 3.2Å
566	S	98.4	Very high	98.4	Very high	16 Å²	16	5.8 Å²	5.8	11%	0.112	3%	0.033	C	C	.	.	S	Bend	trans	-144.2	150.3	175.9	-72.8	0	0	0	0	109.7	W166 E169 M564	W166-S566 PolarHBondContact NE1-O 2.97Å; E169-S566 VanDerWaalsContact CD-OG 3.27Å; E169-S566 WeakPolarHBondContact OE1-CB 3.44Å; E169-S566 PolarHBondContact OE1-OG 3.49Å; E169-S566 PolarHBondContact OE2-OG 3Å; M564-S566 VanDerWaalsContact C-N 3.31Å
567	V	98.3	Very high	98.4	Very high	4 Å²	4	5.7 Å²	5.7	2%	0.024	3%	0.033	C	C	.	.			trans	-65.8	141.2	-179.7	73.4	0	0	0	0	111.2	R165 Q351 H353 C530 L572	R165-V567 PolarHBondContact NH2-O 2.87Å; Q351-V567 HydrophobicContact CB-CB 4.04Å; Q351-V567 HydrophobicContact CB-CG1 4.25Å; H353-V567 VanDerWaalsContact NE2-CG2 3.29Å; H353-V567 WeakPolarHBondContact NE2-CG2 3.48Å; C530-V567 PolarHBondContact SG-N 2.69Å; C530-V567 VanDerWaalsContact SG-N 3.42Å; V567-L572 HydrophobicContact CG2-CD1 4.15Å; V567-L572 HydrophobicContact CG2-CD2 3.93Å
568	V	98.3	Very high	98.4	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.029	C	C	.	.			trans	-89.6	161.2	179.7	-59.3	0	0	0	0	111.7	D162 Y163 W166 H353 G570 L572 P575	D162-V568 HydrophobicContact CB-CB 3.98Å; D162-V568 HydrophobicContact CB-CG1 3.88Å; Y163-V568 HydrophobicContact CE1-CG1 4.01Å; W166-V568 HydrophobicContact CH2-CG1 3.98Å; W166-V568 HydrophobicContact CZ2-CG1 3.31Å; H353-V568 PolarHBondContact CE1-O 3.22Å; H353-V568 PolarHBondContact NE2-O 3.3Å; V568-G570 VanDerWaalsContact C-N 3.27Å; V568-G570 PolarHBondContact O-N 3.06Å; V568-L572 HydrophobicContact CG2-CD2 3.65Å; V568-P575 HydrophobicContact CG2-CB 4.29Å; V568-P575 HydrophobicContact CG2-CG 3.66Å
569	S	97.3	Very high	98.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.029	C	C	.	.	S	Bend	trans	-78.4	69	-175.2	-48	0	0	0	0	113	G158 D162 Q238 F402 R444	G158-S569 WeakPolarHBondContact CA-O 3.49Å; D162-S569 PolarHBondContact OD1-OG 3.21Å; D162-S569 WeakPolarHBondContact OD2-CA 3.45Å; D162-S569 WeakPolarHBondContact OD2-CB 3.41Å; D162-S569 PolarHBondContact OD2-N 2.95Å; D162-S569 PolarHBondContact OD2-OG 3.19Å; Q238-S569 PolarHBondContact NE2-O 3.14Å; F402-S569 WeakPolarHBondContact CE1-O 3.24Å; R444-S569 PolarHBondContact NH1-OG 2.93Å
570	G	95.6	Very high	98.4	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.029	C	C	.	.	S	Bend	trans	157.7	-169.8	176.9	0	0	0	0	0	114.5	H353 V568	H353-G570 PolarHBondContact CE1-O 3.41Å; V568-G570 VanDerWaalsContact C-N 3.27Å; V568-G570 PolarHBondContact O-N 3.06Å
571	N	97.5	Very high	98.4	Very high	18 Å²	18	4.6 Å²	4.6	10%	0.096	3%	0.028	C	C	.	.			trans	-69.1	141.2	-177.8	-50.5	78	0	0	0	112.3	V154 I156 Q415 H417 H527 N573 P575	V154-N571 WeakPolarHBondContact CG1-OD1 3.32Å; I156-N571 HydrophobicContact CB-CB 4.44Å; I156-N571 WeakPolarHBondContact CG1-OD1 3.5Å; Q415-N571 PolarHBondContact NE2-OD1 3.45Å; Q415-N571 VanDerWaalsContact NE2-OD1 3.09Å; H417-N571 PolarHBondContact NE2-OD1 3.05Å; H527-N571 PolarHBondContact CE1-ND2 3.06Å; H527-N571 VanDerWaalsContact CE1-ND2 3.26Å; H527-N571 PolarHBondContact NE2-ND2 3.29Å; N571-N573 PolarHBondContact O-N 3.28Å; N571-P575 VanDerWaalsContact O-CD 3.3Å; N571-P575 WeakPolarHBondContact O-CD 3.4Å
572	L	98.1	Very high	98.4	Very high	10 Å²	10	4.4 Å²	4.4	5%	0.052	3%	0.026	C	C	.	.	S	Bend	trans	-88.7	-2.7	-166.2	-57.7	-170.5	0	0	0	116.4	H527 M564 V567 V568 T576	H527-L572 HydrophobicContact CB-CD1 3.77Å; H527-L572 HydrophobicContact CB-CG 3.81Å; H527-L572 WeakPolarHBondContact O-CD1 3.16Å; M564-L572 HydrophobicContact CE-CB 4.37Å; M564-L572 HydrophobicContact CE-CD2 4.37Å; M564-L572 HydrophobicContact SD-CD1 4.29Å; M564-L572 HydrophobicContact SD-CD2 4.16Å; V567-L572 HydrophobicContact CG2-CD1 4.15Å; V567-L572 HydrophobicContact CG2-CD2 3.93Å; V568-L572 HydrophobicContact CG2-CD2 3.65Å; L572-T576 WeakPolarHBondContact O-CB 3.31Å; L572-T576 PolarHBondContact O-N 3.47Å; L572-T576 PolarHBondContact O-OG1 3.15Å
573	N	98.6	Very high	98.4	Very high	18 Å²	18	4.4 Å²	4.4	10%	0.096	3%	0.026	C	C	.	.	H	α-helix	trans	-67.9	-45.5	-177.1	-172.1	54.4	0	0	0	112.3	S66 S148 N571 T576 I577	S66-N573 WeakPolarHBondContact CB-OD1 3.37Å; S66-N573 PolarHBondContact OG-OD1 3.49Å; S148-N573 WeakPolarHBondContact CB-OD1 3.49Å; N571-N573 PolarHBondContact O-N 3.28Å; N573-T576 PolarHBondContact O-N 3.13Å; N573-I577 VanDerWaalsContact O-CG1 3.3Å; N573-I577 WeakPolarHBondContact O-CG1 3.47Å; N573-I577 PolarHBondContact O-N 3.33Å; N573-I577 VanDerWaalsContact O-N 3.07Å
574	A	98.7	Very high	98.4	Very high	4 Å²	4	4.4 Å²	4.4	3%	0.033	3%	0.026	C	C	.	.	H	α-helix	trans	-66.7	-45.8	178.1	0	0	0	0	0	112	Y155 I156 R157 F183 T576 I577 M578	Y155-A574 HydrophobicContact CD2-CB 3.86Å; Y155-A574 HydrophobicContact CE2-CB 3.45Å; Y155-A574 VanDerWaalsContact CE2-CB 3.45Å; I156-A574 WeakPolarHBondContact O-CB 3.27Å; R157-A574 HydrophobicContact CG-CB 4.47Å; F183-A574 HydrophobicContact CE1-CB 4.07Å; F183-A574 WeakPolarHBondContact CE1-O 3.19Å; A574-T576 VanDerWaalsContact C-N 3.28Å; A574-T576 PolarHBondContact O-N 2.82Å; A574-I577 PolarHBondContact O-N 3.49Å; A574-I577 VanDerWaalsContact O-N 3.16Å; A574-M578 PolarHBondContact O-N 3.35Å
575	P	98.8	Very high	98.4	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-52.3	-43.3	171	-32	36.7	0	0	0	113.9	R157 M564 V568 N571 I577 M578 I579	R157-P575 WeakPolarHBondContact O-CG 3.35Å; M564-P575 HydrophobicContact CE-CB 3.52Å; V568-P575 HydrophobicContact CG2-CB 4.29Å; V568-P575 HydrophobicContact CG2-CG 3.66Å; N571-P575 VanDerWaalsContact O-CD 3.3Å; N571-P575 WeakPolarHBondContact O-CD 3.4Å; P575-I577 PolarHBondContact O-N 3.15Å; P575-M578 PolarHBondContact O-N 3.37Å; P575-I579 WeakPolarHBondContact O-CB 3.42Å; P575-I579 VanDerWaalsContact O-CG1 3.31Å; P575-I579 WeakPolarHBondContact O-CG1 3.43Å; P575-I579 PolarHBondContact O-N 3.01Å
576	T	98.9	Very high	98.4	Very high	11 Å²	11	6 Å²	6	7%	0.067	3%	0.034	C	C	.	.	H	α-helix	trans	-65.3	-39.3	179.1	-57.8	0	0	0	0	112	A67 L572 N573 A574 A580	A67-T576 HydrophobicContact CB-CG2 3.95Å; L572-T576 WeakPolarHBondContact O-CB 3.31Å; L572-T576 PolarHBondContact O-N 3.47Å; L572-T576 PolarHBondContact O-OG1 3.15Å; N573-T576 PolarHBondContact O-N 3.13Å; A574-T576 VanDerWaalsContact C-N 3.28Å; A574-T576 PolarHBondContact O-N 2.82Å; T576-A580 PolarHBondContact O-N 3.49Å; T576-A580 VanDerWaalsContact O-N 3.11Å
577	I	98.9	Very high	98.4	Very high	2 Å²	2	6 Å²	6	1%	0.01	3%	0.033	C	C	.	.	H	α-helix	trans	-66.9	-41.6	175.4	-68.5	166.5	0	0	0	110.5	V70 A186 L203 T256 Y260 N573 A574 P575 A580 E581	V70-I577 HydrophobicContact CG2-CG1 4.49Å; V70-I577 HydrophobicContact CG2-CG2 4.06Å; A186-I577 HydrophobicContact CB-CG2 3.86Å; L203-I577 HydrophobicContact CD1-CD1 4.29Å; L203-I577 HydrophobicContact CD2-CD1 3.8Å; T256-I577 HydrophobicContact CG2-CD1 3.47Å; T256-I577 VanDerWaalsContact CG2-CD1 3.47Å; T256-I577 HydrophobicContact CG2-CG1 3.69Å; Y260-I577 HydrophobicContact CE2-CG2 4.16Å; N573-I577 VanDerWaalsContact O-CG1 3.3Å; N573-I577 WeakPolarHBondContact O-CG1 3.47Å; N573-I577 PolarHBondContact O-N 3.33Å; N573-I577 VanDerWaalsContact O-N 3.07Å; A574-I577 PolarHBondContact O-N 3.49Å; A574-I577 VanDerWaalsContact O-N 3.16Å; P575-I577 PolarHBondContact O-N 3.15Å; I577-A580 PolarHBondContact O-N 2.97Å; I577-E581 WeakPolarHBondContact O-CG 3.5Å; I577-E581 PolarHBondContact O-N 2.8Å
578	M	98.9	Very high	98.4	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-60.9	-46.1	175.5	178.4	-76.7	-66.6	0	0	111.6	Y163 W166 W174 C179 F183 A574 P575 A580 E581 K582	Y163-M578 HydrophobicContact CD1-CE 4.35Å; Y163-M578 HydrophobicContact CE1-CE 3.82Å; W166-M578 HydrophobicContact CZ3-CE 4.19Å; W174-M578 HydrophobicContact CE3-SD 4.5Å; W174-M578 HydrophobicContact CZ3-CE 4.39Å; W174-M578 HydrophobicContact CZ3-SD 4.08Å; C179-M578 HydrophobicContact CB-CE 3.93Å; C179-M578 HydrophobicContact CB-SD 3.95Å; C179-M578 WeakPolarHBondContact SG-CE 3.2Å; C179-M578 VanDerWaalsContact SG-SD 3.69Å; F183-M578 HydrophobicContact CD1-CB 3.74Å; F183-M578 HydrophobicContact CD1-CG 4.07Å; F183-M578 HydrophobicContact CD2-CB 4.4Å; F183-M578 HydrophobicContact CD2-CG 3.85Å; F183-M578 HydrophobicContact CE1-CB 3.45Å; F183-M578 VanDerWaalsContact CE1-CB 3.45Å; F183-M578 HydrophobicContact CE1-CG 3.96Å; F183-M578 HydrophobicContact CE2-CB 4.15Å; F183-M578 HydrophobicContact CE2-CE 4.05Å; F183-M578 HydrophobicContact CE2-CG 3.72Å; F183-M578 HydrophobicContact CG-CB 4.19Å; F183-M578 HydrophobicContact CG-CG 4.01Å; F183-M578 HydrophobicContact CZ-CB 3.64Å; F183-M578 HydrophobicContact CZ-CE 3.98Å; F183-M578 HydrophobicContact CZ-CG 3.75Å; A574-M578 PolarHBondContact O-N 3.35Å; P575-M578 PolarHBondContact O-N 3.37Å; M578-A580 VanDerWaalsContact C-N 3.28Å; M578-A580 PolarHBondContact O-N 3.2Å; M578-E581 PolarHBondContact O-N 3.28Å; M578-K582 PolarHBondContact O-N 2.77Å
579	I	98.9	Very high	98.4	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-53.8	-47.4	174	-75.3	164.2	0	0	0	110.7	W166 W174 V559 I563 M564 P575 K582 A583	W166-I579 HydrophobicContact CH2-CD1 4.13Å; W166-I579 HydrophobicContact CZ3-CD1 4.47Å; W174-I579 HydrophobicContact CH2-CB 4.36Å; W174-I579 HydrophobicContact CH2-CG1 4.25Å; W174-I579 HydrophobicContact CH2-CG2 4.22Å; W174-I579 HydrophobicContact CZ3-CB 4.22Å; W174-I579 HydrophobicContact CZ3-CG1 3.72Å; V559-I579 HydrophobicContact CG1-CG2 4.03Å; I563-I579 HydrophobicContact CD1-CG2 3.53Å; I563-I579 HydrophobicContact CG1-CD1 4.36Å; I563-I579 HydrophobicContact CG1-CG2 4.16Å; M564-I579 HydrophobicContact CE-CD1 3.81Å; M564-I579 HydrophobicContact CG-CD1 3.9Å; P575-I579 WeakPolarHBondContact O-CB 3.42Å; P575-I579 VanDerWaalsContact O-CG1 3.31Å; P575-I579 WeakPolarHBondContact O-CG1 3.43Å; P575-I579 PolarHBondContact O-N 3.01Å; I579-K582 PolarHBondContact O-N 2.81Å; I579-A583 WeakPolarHBondContact O-CB 3.4Å; I579-A583 PolarHBondContact O-N 2.75Å
580	A	98.9	Very high	98.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-69.5	-36.7	-179	0	0	0	0	0	113.5	A67 V70 L71 V559 T576 I577 M578 A584	A67-A580 HydrophobicContact CB-CB 3.75Å; V70-A580 HydrophobicContact CB-CB 3.72Å; V70-A580 HydrophobicContact CG1-CB 3.8Å; V70-A580 HydrophobicContact CG2-CB 4.28Å; L71-A580 HydrophobicContact CG-CB 4.43Å; V559-A580 HydrophobicContact CG1-CB 4.15Å; T576-A580 PolarHBondContact O-N 3.49Å; T576-A580 VanDerWaalsContact O-N 3.11Å; I577-A580 PolarHBondContact O-N 2.97Å; M578-A580 VanDerWaalsContact C-N 3.28Å; M578-A580 PolarHBondContact O-N 3.2Å; A580-A584 VanDerWaalsContact O-CB 3.3Å; A580-A584 WeakPolarHBondContact O-CB 3.42Å; A580-A584 PolarHBondContact O-N 2.97Å
581	E	98.9	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-41.6	174.8	-81.7	-74.4	-170.8	0	0	112.3	V70 R74 Y182 K185 A186 Y260 I577 M578	V70-E581 HydrophobicContact CG1-CG 3.88Å; R74-E581 IonicContact CZ-OE1 3.71Å; R74-E581 IonicContact CZ-OE2 3.76Å; R74-E581 IonicContact NE-OE1 3.93Å; R74-E581 PolarHBondContact NE-OE1 3.07Å; R74-E581 VanDerWaalsContact NE-OE1 3.14Å; R74-E581 IonicContact NE-OE2 2.77Å; R74-E581 PolarHBondContact NE-OE2 3.02Å; R74-E581 IonicContact NH2-OE1 3.02Å; R74-E581 PolarHBondContact NH2-OE1 2.78Å; R74-E581 IonicContact NH2-OE2 3.05Å; R74-E581 PolarHBondContact NH2-OE2 3.42Å; Y182-E581 HydrophobicContact CD1-CB 3.88Å; K185-E581 VanDerWaalsContact CE-OE2 3.29Å; K185-E581 WeakPolarHBondContact CE-OE2 3.43Å; K185-E581 IonicContact NZ-OE2 2.73Å; K185-E581 PolarHBondContact NZ-OE2 3.45Å; A186-E581 HydrophobicContact CB-CG 4.18Å; Y260-E581 VanDerWaalsContact CE1-OE1 3.23Å; Y260-E581 WeakPolarHBondContact CE1-OE1 3.42Å; Y260-E581 PolarHBondContact OH-OE1 3.28Å; I577-E581 WeakPolarHBondContact O-CG 3.5Å; I577-E581 PolarHBondContact O-N 2.8Å; M578-E581 PolarHBondContact O-N 3.28Å
582	K	98.9	Very high	98.3	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.026	15%	0.148	C	C	.	.	H	α-helix	trans	-72.6	-46.8	176.8	-177	172.7	173.2	-159.7	0	112.1	G173 W174 Y182 M578 I579 A584 D585 I586	G173-K582 PolarHBondContact O-NZ 3.01Å; W174-K582 HydrophobicContact CD2-CD 4.22Å; W174-K582 HydrophobicContact CE3-CD 3.99Å; W174-K582 HydrophobicContact CH2-CB 4.08Å; W174-K582 HydrophobicContact CH2-CD 3.8Å; W174-K582 HydrophobicContact CH2-CG 4.1Å; W174-K582 HydrophobicContact CZ2-CD 4.01Å; W174-K582 HydrophobicContact CZ2-CG 4.37Å; W174-K582 HydrophobicContact CZ3-CB 4.33Å; W174-K582 HydrophobicContact CZ3-CD 3.77Å; W174-K582 HydrophobicContact CZ3-CG 4.46Å; Y182-K582 HydrophobicContact CD1-CB 3.97Å; Y182-K582 HydrophobicContact CD2-CB 3.79Å; Y182-K582 HydrophobicContact CD2-CD 4.01Å; Y182-K582 HydrophobicContact CD2-CG 3.99Å; Y182-K582 VanDerWaalsContact CE1-CA 3.45Å; Y182-K582 HydrophobicContact CE1-CB 3.95Å; Y182-K582 HydrophobicContact CE1-CG 4.35Å; Y182-K582 HydrophobicContact CE2-CB 3.8Å; Y182-K582 HydrophobicContact CE2-CD 3.81Å; Y182-K582 HydrophobicContact CE2-CG 3.56Å; Y182-K582 HydrophobicContact CG-CB 3.87Å; M578-K582 PolarHBondContact O-N 2.77Å; I579-K582 PolarHBondContact O-N 2.81Å; K582-A584 PolarHBondContact O-N 3.2Å; K582-D585 PolarHBondContact O-N 3.41Å; K582-I586 HydrophobicContact CG-CD1 4.21Å; K582-I586 PolarHBondContact O-N 2.79Å
583	A	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-35.4	176.2	0	0	0	0	0	112	T548 V559 I579 D585 I586 I587	T548-A583 HydrophobicContact CG2-CB 4.21Å; V559-A583 HydrophobicContact CB-CB 4.4Å; V559-A583 HydrophobicContact CG1-CB 3.56Å; V559-A583 HydrophobicContact CG2-CB 3.85Å; I579-A583 WeakPolarHBondContact O-CB 3.4Å; I579-A583 PolarHBondContact O-N 2.75Å; A583-D585 VanDerWaalsContact C-N 3.35Å; A583-D585 PolarHBondContact O-N 2.76Å; A583-I586 WeakPolarHBondContact O-CB 3.3Å; A583-I586 PolarHBondContact O-N 3.17Å; A583-I587 WeakPolarHBondContact O-CB 3.36Å; A583-I587 WeakPolarHBondContact O-CD1 3.36Å; A583-I587 WeakPolarHBondContact O-CG1 3.46Å; A583-I587 PolarHBondContact O-N 2.7Å
584	A	98.8	Very high	98.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-38.3	174.6	0	0	0	0	0	113.1	L71 R74 A580 K582 R588	L71-A584 HydrophobicContact CD2-CB 4.22Å; R74-A584 HydrophobicContact CB-CB 3.46Å; R74-A584 VanDerWaalsContact CB-CB 3.46Å; R74-A584 HydrophobicContact CG-CB 3.91Å; A580-A584 VanDerWaalsContact O-CB 3.3Å; A580-A584 WeakPolarHBondContact O-CB 3.42Å; A580-A584 PolarHBondContact O-N 2.97Å; K582-A584 PolarHBondContact O-N 3.2Å; A584-R588 WeakPolarHBondContact O-CB 3.21Å; A584-R588 VanDerWaalsContact O-CD 3.28Å; A584-R588 WeakPolarHBondContact O-CD 3.38Å; A584-R588 WeakPolarHBondContact O-CG 3.37Å; A584-R588 PolarHBondContact O-N 3.31Å
585	D	98.7	Very high	98.1	Very high	7 Å²	7	30.8 Å²	30.8	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-70.5	-39.8	175	-78	-15.4	0	0	0	110.8	Y182 K185 K582 A583 R588 G589 R590	Y182-D585 HydrophobicContact CE1-CB 4.38Å; Y182-D585 VanDerWaalsContact CE1-OD2 3.23Å; Y182-D585 WeakPolarHBondContact CE1-OD2 3.24Å; Y182-D585 PolarHBondContact OH-OD2 2.85Å; K185-D585 VanDerWaalsContact NZ-CG 3.27Å; K185-D585 IonicContact NZ-OD1 3.27Å; K185-D585 PolarHBondContact NZ-OD1 3.49Å; K185-D585 VanDerWaalsContact NZ-OD1 3.16Å; K185-D585 IonicContact NZ-OD2 3.73Å; K185-D585 PolarHBondContact NZ-OD2 3.12Å; K582-D585 PolarHBondContact O-N 3.41Å; A583-D585 VanDerWaalsContact C-N 3.35Å; A583-D585 PolarHBondContact O-N 2.76Å; D585-R588 CarbonylContact O-C 3.49Å; D585-R588 PolarHBondContact O-N 2.92Å; D585-G589 PolarHBondContact O-N 3.3Å; D585-G589 VanDerWaalsContact O-N 3.13Å; D585-R590 HydrophobicContact CB-CB 3.89Å; D585-R590 PolarHBondContact O-N 3.24Å; D585-R590 WeakPolarHBondContact OD1-CD 3.49Å; D585-R590 IonicContact OD1-NH1 3.18Å; D585-R590 PolarHBondContact OD1-NH1 3.28Å
586	I	98.6	Very high	98	Very high	27 Å²	27	35.1 Å²	35.1	14%	0.138	22%	0.216	C	C	.	.	H	α-helix	trans	-54.9	-53.4	171.9	-73.6	165.4	0	0	0	111.5	W174 E547 K582 A583 R588 G589	W174-I586 HydrophobicContact CZ2-CD1 4.27Å; E547-I586 HydrophobicContact CB-CG2 4.28Å; E547-I586 WeakPolarHBondContact OE2-CG2 3.22Å; K582-I586 HydrophobicContact CG-CD1 4.21Å; K582-I586 PolarHBondContact O-N 2.79Å; A583-I586 WeakPolarHBondContact O-CB 3.3Å; A583-I586 PolarHBondContact O-N 3.17Å; I586-R588 PolarHBondContact O-N 3.2Å; I586-G589 PolarHBondContact O-N 3.25Å
587	I	98.7	Very high	97.6	Very high	18 Å²	18	37.3 Å²	37.3	9%	0.092	24%	0.241	C	C	.	.	H	α-helix	trans	-61.2	-33.7	-178.1	-68.2	159.7	0	0	0	111.1	Y59 L71 L75 I309 A583 G589	Y59-I587 HydrophobicContact CD1-CG2 4.39Å; Y59-I587 HydrophobicContact CE1-CG2 3.59Å; L71-I587 HydrophobicContact CD2-CD1 3.94Å; L75-I587 HydrophobicContact CD1-CG2 4.49Å; L75-I587 HydrophobicContact CD2-CB 4.06Å; L75-I587 HydrophobicContact CD2-CG2 3.62Å; I309-I587 HydrophobicContact CD1-CD1 3.8Å; A583-I587 WeakPolarHBondContact O-CB 3.36Å; A583-I587 WeakPolarHBondContact O-CD1 3.36Å; A583-I587 WeakPolarHBondContact O-CG1 3.46Å; A583-I587 PolarHBondContact O-N 2.7Å; I587-G589 VanDerWaalsContact C-N 3.28Å; I587-G589 PolarHBondContact O-N 2.81Å
588	R	98.3	Very high	97.4	Very high	56 Å²	56	37.7 Å²	37.7	21%	0.211	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.9	179.2	-65.6	171.4	72.3	179.7	12.5	113.5	R74 L75 E77 A584 D585 I586 R590	R74-R588 PolarHBondContact O-NH1 2.84Å; L75-R588 HydrophobicContact CD2-CG 3.8Å; E77-R588 IonicContact OE2-CZ 2.76Å; E77-R588 IonicContact OE2-NH1 2.8Å; E77-R588 PolarHBondContact OE2-NH1 2.96Å; E77-R588 IonicContact OE2-NH2 2.91Å; A584-R588 WeakPolarHBondContact O-CB 3.21Å; A584-R588 VanDerWaalsContact O-CD 3.28Å; A584-R588 WeakPolarHBondContact O-CD 3.38Å; A584-R588 WeakPolarHBondContact O-CG 3.37Å; A584-R588 PolarHBondContact O-N 3.31Å; D585-R588 CarbonylContact O-C 3.49Å; D585-R588 PolarHBondContact O-N 2.92Å; I586-R588 PolarHBondContact O-N 3.2Å; R588-R590 HydrophobicContact CB-CG 4.19Å; R588-R590 PolarHBondContact O-N 2.85Å
589	G	97.6	Very high	97.3	Very high	68 Å²	68	40.4 Å²	40.4	70%	0.701	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	27.8	-177.3	0	0	0	0	0	113.5	D585 I586 I587	D585-G589 PolarHBondContact O-N 3.3Å; D585-G589 VanDerWaalsContact O-N 3.13Å; I586-G589 PolarHBondContact O-N 3.25Å; I587-G589 VanDerWaalsContact C-N 3.28Å; I587-G589 PolarHBondContact O-N 2.81Å
590	R	97.6	Very high	97.1	Very high	104 Å²	104	42.4 Å²	42.4	39%	0.392	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-85.5	144.1	176.1	-70.4	174.4	167.2	-169.2	-6	110	E77 D585 R588 A592	E77-R590 IonicContact OE2-NH1 2.77Å; E77-R590 IonicContact OE2-NH2 2.75Å; D585-R590 HydrophobicContact CB-CB 3.89Å; D585-R590 PolarHBondContact O-N 3.24Å; D585-R590 WeakPolarHBondContact OD1-CD 3.49Å; D585-R590 IonicContact OD1-NH1 3.18Å; D585-R590 PolarHBondContact OD1-NH1 3.28Å; R588-R590 HydrophobicContact CB-CG 4.19Å; R588-R590 PolarHBondContact O-N 2.85Å; R590-A592 PolarHBondContact O-N 2.8Å
591	P	95.6	Very high	96.9	Very high	117 Å²	117	45.1 Å²	45.1	76%	0.76	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-56.4	137.6	173.3	-23.7	33.6	0	0	0	111.5
592	A	94.8	Very high	96.6	Very high	57 Å²	57	52.9 Å²	52.9	47%	0.471	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-62.7	137.5	174.7	0	0	0	0	0	110.5	R590	R590-A592 PolarHBondContact O-N 2.8Å
593	L	97.9	Very high	96.1	Very high	69 Å²	69	53.7 Å²	53.7	36%	0.361	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-72.6	142.3	171.8	-56.7	178.7	0	0	0	110	P181 Y182 K185	P181-L593 HydrophobicContact CB-CB 3.55Å; P181-L593 HydrophobicContact CB-CD1 4.08Å; P181-L593 HydrophobicContact CB-CG 4.47Å; P181-L593 HydrophobicContact CG-CB 4.21Å; Y182-L593 HydrophobicContact CD1-CD1 4.11Å; Y182-L593 HydrophobicContact CD2-CB 4.3Å; Y182-L593 HydrophobicContact CE1-CD1 3.85Å; Y182-L593 HydrophobicContact CE1-CG 4.06Å; Y182-L593 HydrophobicContact CE2-CB 3.71Å; Y182-L593 HydrophobicContact CE2-CD1 4.38Å; Y182-L593 HydrophobicContact CE2-CG 4.1Å; Y182-L593 PolarHBondContact OH-N 2.95Å; Y182-L593 VanDerWaalsContact OH-N 3.1Å; K185-L593 HydrophobicContact CD-CD1 4.2Å
594	S	97.1	Very high	95.7	Very high	69 Å²	69	58.1 Å²	58.1	48%	0.483	37%	0.371	S	S	.	.			trans	-142.7	150.3	170.7	66.2	0	0	0	0	111.2	D177	D177-S594 CarbonylContact O-C 3.57Å; D177-S594 WeakPolarHBondContact O-CA 3.35Å
595	D	96.6	Very high	95.3	Very high	33 Å²	33	60.2 Å²	60.2	18%	0.176	39%	0.386	C	S	.	.			trans	-137.1	86.7	171.3	-174.6	-7.3	0	0	0	107.9	D177 P181 R184 V598	D177-D595 PolarHBondContact O-N 3.37Å; P181-D595 HydrophobicContact CG-CB 3.86Å; R184-D595 IonicContact CZ-OD2 2.65Å; R184-D595 IonicContact NH1-OD2 2.75Å; R184-D595 PolarHBondContact NH1-OD2 2.83Å; R184-D595 IonicContact NH2-OD2 3.76Å; R184-D595 PolarHBondContact NH2-OD2 3.08Å; D595-V598 HydrophobicContact CB-CG2 4.12Å; D595-V598 WeakPolarHBondContact O-CG2 3.42Å
596	P	95.7	Very high	95	Very high	91 Å²	91	63.4 Å²	63.4	59%	0.591	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	146.7	-170.7	26.7	-33.8	0	0	0	113.2	D177	D177-P596 VanDerWaalsContact OD2-CA 3.3Å; D177-P596 WeakPolarHBondContact OD2-CA 3.36Å
597	G	92.4	Very high	94.7	Very high	58 Å²	58	70.5 Å²	70.5	60%	0.598	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	34.9	173	0	0	0	0	0	113	D177 R195 P599	D177-G597 PolarHBondContact OD1-N 3.42Å; D177-G597 PolarHBondContact OD2-N 3.2Å; D177-G597 VanDerWaalsContact OD2-N 3.16Å; R195-G597 PolarHBondContact NH2-O 3.33Å; G597-P599 WeakPolarHBondContact O-CD 3.22Å
598	V	93.9	Very high	94.3	Very high	10 Å²	10	73.2 Å²	73.2	6%	0.061	45%	0.453	C	S	.	.			trans	-71.9	121.8	170.7	177	0	0	0	0	108.5	Y176 L180 Y196 D595 V600	Y176-V598 HydrophobicContact CE1-CB 4.29Å; Y176-V598 HydrophobicContact CE1-CG1 3.93Å; L180-V598 HydrophobicContact CD2-CB 4.1Å; L180-V598 HydrophobicContact CD2-CG1 3.62Å; L180-V598 HydrophobicContact CD2-CG2 3.76Å; Y196-V598 HydrophobicContact CD1-CG1 4.08Å; Y196-V598 HydrophobicContact CE1-CG1 3.35Å; D595-V598 HydrophobicContact CB-CG2 4.12Å; D595-V598 WeakPolarHBondContact O-CG2 3.42Å; V598-V600 PolarHBondContact O-N 3.06Å
599	P	95.8	Very high	93.8	Very high	58 Å²	58	71.9 Å²	71.9	38%	0.377	45%	0.449	S	S	.	.			trans	-68.7	139	-178.4	23.9	-27.1	0	0	0	110	R195 Y196 F236 G597	R195-P599 VanDerWaalsContact NH1-CD 3.27Å; Y196-P599 WeakPolarHBondContact CE1-O 3.4Å; Y196-P599 WeakPolarHBondContact OH-CG 3.42Å; Y196-P599 PolarHBondContact OH-O 2.89Å; F236-P599 HydrophobicContact CD2-CB 4.17Å; F236-P599 HydrophobicContact CD2-CG 4.43Å; F236-P599 HydrophobicContact CE2-CB 3.98Å; G597-P599 WeakPolarHBondContact O-CD 3.22Å
600	V	95	Very high	93.3	Very high	42 Å²	42	74.9 Å²	74.9	26%	0.255	44%	0.439	S	S	.	.			trans	-117.3	136.8	169.9	179.9	0	0	0	0	106.4	Y176 V598 Q602	Y176-V600 HydrophobicContact CD1-CG2 3.85Å; Y176-V600 HydrophobicContact CE1-CG2 3.74Å; V598-V600 PolarHBondContact O-N 3.06Å; V600-Q602 PolarHBondContact O-N 2.51Å
601	Y	95.3	Very high	93.1	Very high	57 Å²	57	73.5 Å²	73.5	22%	0.224	44%	0.442	C	S	.	.			trans	-53.6	136.8	179.6	173.7	-97.7	0	0	0	111.4	F236 Q237 E239 P603	F236-Y601 AromaticContact CE1-CD2 3.88Å; F236-Y601 HydrophobicContact CE1-CD2 3.88Å; F236-Y601 HydrophobicContact CE1-CG 4.47Å; F236-Y601 HydrophobicContact CZ-CD2 4.15Å; F236-Y601 VanDerWaalsContact O-CB 3.23Å; F236-Y601 WeakPolarHBondContact O-CB 3.43Å; F236-Y601 PolarHBondContact O-N 2.9Å; Q237-Y601 HydrophobicContact CB-CD2 4.21Å; Q237-Y601 HydrophobicContact CB-CG 3.98Å; Q237-Y601 HydrophobicContact CG-CD1 3.88Å; Q237-Y601 HydrophobicContact CG-CD2 3.85Å; Q237-Y601 HydrophobicContact CG-CE1 4.34Å; Q237-Y601 HydrophobicContact CG-CE2 4.33Å; Q237-Y601 HydrophobicContact CG-CG 3.6Å; E239-Y601 HydrophobicContact CB-CD1 4.29Å; E239-Y601 HydrophobicContact CB-CE1 4.22Å; Y601-P603 HydrophobicContact CE1-CB 4.24Å
602	Q	92.1	Very high	92.9	Very high	164 Å²	164	71.2 Å²	71.2	77%	0.766	43%	0.425	S	S	*	.			trans	-123.7	130.3	171.7	-66.6	-178	-7.1	0	0	107.9	V600	V600-Q602 PolarHBondContact O-N 2.51Å
603	P	90	Very high	92.8	Very high	22 Å²	22	71.9 Å²	71.9	14%	0.143	42%	0.422	C	S	.	.			trans	-66.4	152.1	175.9	29.8	-35.5	0	0	0	110.3	Y601 S605 L606	Y601-P603 HydrophobicContact CE1-CB 4.24Å; P603-S605 PolarHBondContact O-N 3.23Å; P603-L606 HydrophobicContact CG-CD2 3.54Å; P603-L606 HydrophobicContact CG-CG 4.49Å
604	G	88.8	Confident	92.5	Very high	93 Å²	93	72.1 Å²	72.1	96%	0.959	43%	0.426	S	S	*	.	S	Bend	trans	-62.8	-23.3	179.6	0	0	0	0	0	114
605	S	90.8	Very high	92.3	Very high	45 Å²	45	72.3 Å²	72.3	32%	0.315	42%	0.422	S	S	.	.			trans	-149.4	147.3	170.6	-178.5	0	0	0	0	110.8	R404 P603 E607	R404-S605 PolarHBondContact NH1-O 3.44Å; P603-S605 PolarHBondContact O-N 3.23Å; S605-E607 WeakPolarHBondContact OG-CB 3.46Å; S605-E607 PolarHBondContact OG-N 3.24Å
606	L	93.4	Very high	92	Very high	74 Å²	74	74.9 Å²	74.9	39%	0.387	44%	0.439	S	S	.	.	S	Bend	trans	-93.5	-11.3	168.6	-66.6	-179.9	0	0	0	112.7	G407 G408 V409 P603 T608	G407-L606 CarbonylContact C-O 3.23Å; G407-L606 WeakPolarHBondContact CA-O 3.37Å; G408-L606 PolarHBondContact N-O 3.5Å; V409-L606 WeakPolarHBondContact O-CD2 3.39Å; P603-L606 HydrophobicContact CG-CD2 3.54Å; P603-L606 HydrophobicContact CG-CG 4.49Å; L606-T608 VanDerWaalsContact C-N 3.26Å; L606-T608 PolarHBondContact O-N 3.15Å
607	E	92.5	Very high	91.7	Very high	175 Å²	175	73.8 Å²	73.8	82%	0.818	43%	0.428	S	S	*	.	S	Bend	trans	-64.3	-32.6	-175.2	-64.2	179.6	168.5	0	0	112.6	S605	S605-E607 WeakPolarHBondContact OG-CB 3.46Å; S605-E607 PolarHBondContact OG-N 3.24Å
608	T	88.4	Confident	91.7	Very high	75 Å²	75	75 Å²	75	46%	0.46	42%	0.415	S	S	.	.	S	Bend	trans	-109.6	158.8	178.1	53.3	0	0	0	0	111.4	R404 L606 R610	R404-T608 PolarHBondContact NH1-O 3.35Å; R404-T608 PolarHBondContact NH2-O 2.9Å; R404-T608 VanDerWaalsContact NH2-O 3.14Å; L606-T608 VanDerWaalsContact C-N 3.26Å; L606-T608 PolarHBondContact O-N 3.15Å; T608-R610 VanDerWaalsContact C-N 3.27Å; T608-R610 WeakPolarHBondContact CB-O 3.44Å; T608-R610 PolarHBondContact OG1-O 3.09Å
609	Q	88.1	Confident	91.5	Very high	28 Å²	28	80.4 Å²	80.4	13%	0.131	44%	0.444	C	S	.	.			trans	-68.3	-28.8	172	-170.9	-168.6	53.5	0	0	112.3	Y227 R404 S405 L484	Y227-Q609 HydrophobicContact CE1-CG 4.38Å; Y227-Q609 PolarHBondContact OH-OE1 2.95Å; R404-Q609 HydrophobicContact CB-CG 4.39Å; R404-Q609 VanDerWaalsContact NH2-C 3.34Å; R404-Q609 PolarHBondContact NH2-O 2.82Å; R404-Q609 WeakPolarHBondContact O-CG 3.45Å; R404-Q609 PolarHBondContact O-NE2 3.02Å; S405-Q609 PolarHBondContact O-NE2 2.9Å; L484-Q609 VanDerWaalsContact CD2-NE2 3.28Å
610	R	87.4	Confident	91.1	Very high	132 Å²	132	82.5 Å²	82.5	50%	0.498	45%	0.45	S	S	.	.			trans	-120.1	0	-173.3	-60.4	170	-152.7	-178.2	6	109.8	A225 Y227 E487 T608	A225-R610 WeakPolarHBondContact O-CD 3.25Å; A225-R610 PolarHBondContact O-NH1 2.97Å; Y227-R610 HydrophobicContact CD1-CG 4.09Å; Y227-R610 HydrophobicContact CE1-CG 3.83Å; Y227-R610 PolarHBondContact OH-NE 3.44Å; Y227-R610 PolarHBondContact OH-NH2 3.14Å; E487-R610 IonicContact OE1-CZ 2.86Å; E487-R610 IonicContact OE1-NH1 3.25Å; E487-R610 PolarHBondContact OE1-NH1 3.07Å; E487-R610 IonicContact OE1-NH2 3.96Å; E487-R610 PolarHBondContact OE1-NH2 3.43Å; E487-R610 IonicContact OE2-CZ 2.86Å; E487-R610 IonicContact OE2-NH1 3.14Å; E487-R610 IonicContact OE2-NH2 3.74Å; E487-R610 PolarHBondContact OE2-NH2 2.92Å; T608-R610 VanDerWaalsContact C-N 3.27Å; T608-R610 WeakPolarHBondContact CB-O 3.44Å; T608-R610 PolarHBondContact OG1-O 3.09Å

Retrieved 610 of 610 residues in 301.6 ms (Link to these results)

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