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Carboxypeptidase

Protective protein appears to be essential for both the activity of beta-galactosidase and neuraminidase, it associates with these enzymes and exerts a protective function necessary for their stability and activity. Also functions as an activator of the sialidase NEU1. This protein is also a carboxypeptidase and can deamidate tachykinins.

AlphaFold DB , UniProt , Accession X6R5C5, Species HUMAN (Homo sapiens, Human), Gene CTSA, Length 481 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	42	Very low	232 Å²	232	141.1 Å²	141.1	100%	1.143	84%	0.837	S	S	*	*				0	132.2	0	-82.1	172.7	177.1	0	0	107.7
2	T	36.8	Very low	41.5	Very low	126 Å²	126	145.9 Å²	145.9	77%	0.773	85%	0.845	S	S	*	*			trans	56.9	99.4	157.7	56.1	0	0	0	0	117.6
3	S	34.7	Very low	41.2	Very low	111 Å²	111	140.2 Å²	140.2	78%	0.776	84%	0.837	S	S	*	*				76.4	111.7	77	69.7	0	0	0	0	114.6
4	S	41.3	Very low	40.9	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	85%	0.847	S	S	*	*			trans	-53.6	178.3	156.5	-130.6	0	0	0	0	111.7
5	P	56.9	Low	40.4	Very low	104 Å²	104	143.9 Å²	143.9	68%	0.675	84%	0.842	S	S	*	*			cis	-149.3	-166.9	5.9	38	-14	0	0	0	116.2
6	R	35.7	Very low	40	Very low	238 Å²	238	140.3 Å²	140.3	90%	0.898	85%	0.845	S	S	*	*			trans	80.1	130.3	149.9	-80.6	178.2	-174.8	-180	1.4	121.5
7	A	47.1	Very low	39.8	Very low	93 Å²	93	137.8 Å²	137.8	77%	0.769	84%	0.843	S	S	*	*			trans	-63.9	166.4	169.5	0	0	0	0	0	113.4
8	P	47.8	Very low	40	Very low	124 Å²	124	140.4 Å²	140.4	81%	0.805	84%	0.844	S	S	*	*				-152.2	-153	110.3	48.1	-29.3	0	0	0	113.2
9	P	51.9	Low	39.8	Very low	133 Å²	133	142.8 Å²	142.8	86%	0.864	85%	0.848	S	S	*	*				-117	178.2	-129.6	21.3	7.4	0	0	0	113.2
10	G	35.9	Very low	40.2	Very low	73 Å²	73	143.4 Å²	143.4	75%	0.753	85%	0.845	S	S	*	*			trans	-146.9	92.6	179	0	0	0	0	0	115
11	E	37.6	Very low	40.6	Very low	204 Å²	204	148 Å²	148	95%	0.953	85%	0.848	S	S	*	*			trans	39.3	130.4	144.9	-70.3	-178.2	151.7	0	0	125
12	Q	36.6	Very low	41.5	Very low	199 Å²	199	141.3 Å²	141.3	93%	0.93	83%	0.829	S	S	*	*			trans	-86.6	141.4	159	-72.4	174.1	-27.9	0	0	111.9
13	G	37.6	Very low	42.7	Very low	72 Å²	72	139.6 Å²	139.6	74%	0.742	83%	0.828	S	S	*	*				94.9	118.6	126.7	0	0	0	0	0	120.7
14	R	36.3	Very low	43.7	Very low	260 Å²	260	137.9 Å²	137.9	98%	0.981	81%	0.814	S	S	*	*			trans	159	128.5	141.7	-90.5	167.6	-177	-166.3	1.8	106.6
15	G	33.5	Very low	44.9	Very low	75 Å²	75	136.4 Å²	136.4	77%	0.773	80%	0.802	S	S	*	*			cis	144.8	102.9	24.7	0	0	0	0	0	104.1	A17	G15-A17 PolarHBondContact O-N 3.45Å
16	G	34.2	Very low	45.3	Very low	86 Å²	86	136.4 Å²	136.4	89%	0.887	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-71.7	122.8	179.6	0	0	0	0	0	110.3
17	A	37	Very low	46.7	Very low	98 Å²	98	131.9 Å²	131.9	81%	0.81	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-94.2	116.8	168.5	0	0	0	0	0	109	G15 M19	G15-A17 PolarHBondContact O-N 3.45Å; A17-M19 PolarHBondContact O-N 3.22Å
18	E	42.6	Very low	47.7	Very low	186 Å²	186	133.2 Å²	133.2	87%	0.869	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-60.4	119.1	163.2	-78.7	179.2	136.5	0	0	109.4	I20	E18-I20 PolarHBondContact O-N 3.22Å
19	M	37.5	Very low	48.6	Very low	185 Å²	185	131.8 Å²	131.8	91%	0.911	77%	0.769	S	S	*	*			trans	-76.6	100.5	166.2	-89.7	-168.4	-78.4	0	0	109.4	A17 R21	A17-M19 PolarHBondContact O-N 3.22Å; M19-R21 PolarHBondContact O-N 3.34Å
20	I	47.2	Very low	49.5	Very low	154 Å²	154	130.8 Å²	130.8	79%	0.79	76%	0.756	S	S	*	*			trans	-66.2	111.4	163.4	-60.9	175.4	0	0	0	107.6	E18 A22	E18-I20 PolarHBondContact O-N 3.22Å; I20-A22 PolarHBondContact O-N 3.46Å; I20-A22 VanDerWaalsContact O-N 3.1Å
21	R	47.7	Very low	51.1	Low	242 Å²	242	132.3 Å²	132.3	91%	0.913	75%	0.746	S	S	*	*			trans	-67.3	103.6	168.5	-82.6	-178.8	173.9	178.8	-1.6	108.7	M19 A23	M19-R21 PolarHBondContact O-N 3.34Å; R21-A23 PolarHBondContact O-N 3.1Å
22	A	55.8	Low	52.6	Low	90 Å²	90	126.6 Å²	126.6	74%	0.744	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-66.6	126.9	168.3	0	0	0	0	0	109.7	I20	I20-A22 PolarHBondContact O-N 3.46Å; I20-A22 VanDerWaalsContact O-N 3.1Å
23	A	62.3	Low	54	Low	91 Å²	91	121.7 Å²	121.7	75%	0.752	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.9	140	170.8	0	0	0	0	0	109.8	R21	R21-A23 PolarHBondContact O-N 3.1Å
24	P	55.3	Low	55.3	Low	74 Å²	74	122.9 Å²	122.9	48%	0.481	69%	0.69	S	S	.	*	P	Polyproline II helix	trans	-64.5	146.1	-178	25.8	-32.1	0	0	0	111	F28 L29	P24-F28 HydrophobicContact CB-CB 4.48Å; P24-L29 HydrophobicContact CG-CD1 4.28Å
25	P	66	Low	56.5	Low	83 Å²	83	115.6 Å²	115.6	54%	0.539	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-64.5	149.4	-177.6	24.6	-31.2	0	0	0	111.2	L27 F28	P25-L27 PolarHBondContact O-N 2.88Å; P25-F28 HydrophobicContact CG-CB 4.33Å; P25-F28 WeakPolarHBondContact O-CB 3.37Å; P25-F28 PolarHBondContact O-N 3.04Å
26	P	67.1	Low	57.7	Low	105 Å²	105	116.4 Å²	116.4	68%	0.682	66%	0.656	S	S	*	*	H	α-helix	trans	-58.9	-25.1	-172.7	19.2	-30.4	0	0	0	114.1	F28 L30	P26-F28 VanDerWaalsContact C-N 3.33Å; P26-F28 PolarHBondContact O-N 3.14Å; P26-L30 PolarHBondContact O-N 3.48Å; P26-L30 VanDerWaalsContact O-N 3.14Å
27	L	64.2	Low	58.6	Low	142 Å²	142	117.8 Å²	117.8	74%	0.743	64%	0.642	S	S	*	*	H	α-helix	trans	-65.2	-33.2	173	-108.4	93	0	0	0	113.5	P25 L30 L31	P25-L27 PolarHBondContact O-N 2.88Å; L27-L30 PolarHBondContact O-N 2.9Å; L27-L31 PolarHBondContact O-N 3.4Å
28	F	67.5	Low	59.4	Low	121 Å²	121	118 Å²	118	53%	0.531	63%	0.633	S	S	.	*	H	α-helix	trans	-73.1	-37.5	-177.9	-155.7	-96.4	0	0	0	111.2	P24 P25 P26 L31 L32	P24-F28 HydrophobicContact CB-CB 4.48Å; P25-F28 HydrophobicContact CG-CB 4.33Å; P25-F28 WeakPolarHBondContact O-CB 3.37Å; P25-F28 PolarHBondContact O-N 3.04Å; P26-F28 VanDerWaalsContact C-N 3.33Å; P26-F28 PolarHBondContact O-N 3.14Å; F28-L31 PolarHBondContact O-N 3.46Å; F28-L32 HydrophobicContact CD1-CD1 3.7Å; F28-L32 HydrophobicContact CE1-CD1 3.76Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 3.01Å
29	L	67.2	Low	59.6	Low	94 Å²	94	111.9 Å²	111.9	49%	0.492	61%	0.611	S	S	.	*	H	α-helix	trans	-65.2	-39.3	171.2	-89.6	141.3	0	0	0	111.9	P24 L32 L33	P24-L29 HydrophobicContact CG-CD1 4.28Å; L29-L32 PolarHBondContact O-N 3.36Å; L29-L33 WeakPolarHBondContact O-CB 3.21Å; L29-L33 PolarHBondContact O-N 3.44Å
30	L	69.9	Low	59.8	Low	113 Å²	113	113.6 Å²	113.6	59%	0.592	61%	0.608	S	S	*	*	H	α-helix	trans	-65.3	-40.8	175.6	-133.1	97.2	0	0	0	112	P26 L27 L33 L34	P26-L30 PolarHBondContact O-N 3.48Å; P26-L30 VanDerWaalsContact O-N 3.14Å; L27-L30 PolarHBondContact O-N 2.9Å; L30-L33 PolarHBondContact O-N 3Å; L30-L34 HydrophobicContact CD2-CD1 4.39Å; L30-L34 WeakPolarHBondContact O-CB 3.45Å; L30-L34 PolarHBondContact O-N 2.86Å
31	L	70.7	Confident	59.5	Low	105 Å²	105	109.2 Å²	109.2	55%	0.55	59%	0.594	S	S	.	*	H	α-helix	trans	-66.7	-40.2	177.5	-140.9	93.1	0	0	0	111.7	L27 F28 L34 L35	L27-L31 PolarHBondContact O-N 3.4Å; F28-L31 PolarHBondContact O-N 3.46Å; L31-L34 PolarHBondContact O-N 3.33Å; L31-L35 HydrophobicContact CD2-CD1 4.49Å; L31-L35 WeakPolarHBondContact O-CB 3.15Å; L31-L35 WeakPolarHBondContact O-CD1 3.41Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.37Å; L31-L35 PolarHBondContact O-N 2.83Å
32	L	67.8	Low	59.4	Low	83 Å²	83	102.9 Å²	102.9	44%	0.435	59%	0.587	S	S	.	*	H	α-helix	trans	-64.6	-41.4	172.9	-95.1	150.4	0	0	0	112	F28 L29 L35 L36	F28-L32 HydrophobicContact CD1-CD1 3.7Å; F28-L32 HydrophobicContact CE1-CD1 3.76Å; F28-L32 WeakPolarHBondContact O-CB 3.41Å; F28-L32 PolarHBondContact O-N 3.01Å; L29-L32 PolarHBondContact O-N 3.36Å; L32-L35 PolarHBondContact O-N 3.39Å; L32-L36 VanDerWaalsContact O-CB 3.29Å; L32-L36 WeakPolarHBondContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CD1 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 2.86Å
33	L	66.4	Low	58.9	Low	96 Å²	96	109.1 Å²	109.1	50%	0.503	59%	0.592	S	S	.	*	H	α-helix	trans	-65.1	-40	174	-91.1	151.4	0	0	0	112	L29 L30 L36 L37	L29-L33 WeakPolarHBondContact O-CB 3.21Å; L29-L33 PolarHBondContact O-N 3.44Å; L30-L33 PolarHBondContact O-N 3Å; L33-L36 PolarHBondContact O-N 2.8Å; L33-L37 VanDerWaalsContact O-CB 3.3Å; L33-L37 WeakPolarHBondContact O-CB 3.38Å; L33-L37 WeakPolarHBondContact O-CD1 3.25Å; L33-L37 WeakPolarHBondContact O-CG 3.43Å; L33-L37 PolarHBondContact O-N 2.83Å
34	L	65.5	Low	58	Low	97 Å²	97	107.3 Å²	107.3	51%	0.508	58%	0.582	S	S	.	*	H	α-helix	trans	-66.4	-40.4	173.4	-94	143.5	0	0	0	112.1	L30 L31 L36 L37 V38	L30-L34 HydrophobicContact CD2-CD1 4.39Å; L30-L34 WeakPolarHBondContact O-CB 3.45Å; L30-L34 PolarHBondContact O-N 2.86Å; L31-L34 PolarHBondContact O-N 3.33Å; L34-L36 VanDerWaalsContact C-N 3.35Å; L34-L37 PolarHBondContact O-N 3.41Å; L34-V38 WeakPolarHBondContact O-CB 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.38Å; L34-V38 PolarHBondContact O-N 3.39Å
35	L	61.6	Low	57.7	Low	107 Å²	107	112.3 Å²	112.3	56%	0.56	60%	0.599	S	S	*	*	H	α-helix	trans	-67.5	-34.5	174.1	-75	162.3	0	0	0	112.1	L31 L32 S39	L31-L35 HydrophobicContact CD2-CD1 4.49Å; L31-L35 WeakPolarHBondContact O-CB 3.15Å; L31-L35 WeakPolarHBondContact O-CD1 3.41Å; L31-L35 VanDerWaalsContact O-CG 3.25Å; L31-L35 WeakPolarHBondContact O-CG 3.37Å; L31-L35 PolarHBondContact O-N 2.83Å; L32-L35 PolarHBondContact O-N 3.39Å; L35-S39 WeakPolarHBondContact O-CB 3.47Å; L35-S39 PolarHBondContact O-N 2.7Å; L35-S39 PolarHBondContact O-OG 2.9Å
36	L	57.6	Low	57.9	Low	93 Å²	93	111.5 Å²	111.5	49%	0.487	60%	0.599	S	S	.	*	H	α-helix	trans	-70	-38.8	171.9	-75.9	163	0	0	0	111.7	L32 L33 L34 S39 W40	L32-L36 VanDerWaalsContact O-CB 3.29Å; L32-L36 WeakPolarHBondContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CD1 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 2.86Å; L33-L36 PolarHBondContact O-N 2.8Å; L34-L36 VanDerWaalsContact C-N 3.35Å; L36-S39 VanDerWaalsContact CA-OG 3.24Å; L36-S39 WeakPolarHBondContact CA-OG 3.4Å; L36-S39 PolarHBondContact O-N 3.02Å; L36-S39 PolarHBondContact O-OG 3.4Å; L36-W40 PolarHBondContact O-N 3.16Å; L36-W40 VanDerWaalsContact O-N 3.1Å
37	L	53.8	Low	58.5	Low	115 Å²	115	106.7 Å²	106.7	60%	0.602	57%	0.568	S	S	*	*	H	α-helix	trans	-71.4	-33.6	175.7	-73.3	163.1	0	0	0	112.4	L33 L34 W40 A41	L33-L37 VanDerWaalsContact O-CB 3.3Å; L33-L37 WeakPolarHBondContact O-CB 3.38Å; L33-L37 WeakPolarHBondContact O-CD1 3.25Å; L33-L37 WeakPolarHBondContact O-CG 3.43Å; L33-L37 PolarHBondContact O-N 2.83Å; L34-L37 PolarHBondContact O-N 3.41Å; L37-W40 CarbonylContact O-C 3.48Å; L37-W40 PolarHBondContact O-N 3.31Å; L37-A41 PolarHBondContact O-N 3.35Å; L37-A41 VanDerWaalsContact O-N 3.16Å
38	V	53.3	Low	59.7	Low	101 Å²	101	100.7 Å²	100.7	61%	0.612	54%	0.538	S	S	*	.	H	α-helix	trans	-73.1	-27.9	172.7	172.8	0	0	0	0	111.6	L34 W40 A41	L34-V38 WeakPolarHBondContact O-CB 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.38Å; L34-V38 PolarHBondContact O-N 3.39Å; V38-W40 VanDerWaalsContact C-N 3.31Å; V38-A41 WeakPolarHBondContact O-CB 3.24Å; V38-A41 PolarHBondContact O-N 3.02Å
39	S	46.8	Very low	60.9	Low	59 Å²	59	101.3 Å²	101.3	41%	0.413	55%	0.546	S	S	.	.	H	α-helix	trans	-80.8	-10.9	171.3	42.3	0	0	0	0	113.9	L35 L36	L35-S39 WeakPolarHBondContact O-CB 3.47Å; L35-S39 PolarHBondContact O-N 2.7Å; L35-S39 PolarHBondContact O-OG 2.9Å; L36-S39 VanDerWaalsContact CA-OG 3.24Å; L36-S39 WeakPolarHBondContact CA-OG 3.4Å; L36-S39 PolarHBondContact O-N 3.02Å; L36-S39 PolarHBondContact O-OG 3.4Å
40	W	43.1	Very low	62.1	Low	220 Å²	220	104.1 Å²	104.1	83%	0.833	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	0.1	168.2	-79.2	55.9	0	0	0	113.2	L36 L37 V38 S42	L36-W40 PolarHBondContact O-N 3.16Å; L36-W40 VanDerWaalsContact O-N 3.1Å; L37-W40 CarbonylContact O-C 3.48Å; L37-W40 PolarHBondContact O-N 3.31Å; V38-W40 VanDerWaalsContact C-N 3.31Å; W40-S42 VanDerWaalsContact C-N 3.27Å; W40-S42 PolarHBondContact O-N 3.1Å
41	A	41.1	Very low	63.5	Low	62 Å²	62	99.5 Å²	99.5	51%	0.512	53%	0.533	S	S	.	.	S	Bend	trans	-69.7	91.1	165.3	0	0	0	0	0	108	L37 V38 R43	L37-A41 PolarHBondContact O-N 3.35Å; L37-A41 VanDerWaalsContact O-N 3.16Å; V38-A41 WeakPolarHBondContact O-CB 3.24Å; V38-A41 PolarHBondContact O-N 3.02Å; A41-R43 PolarHBondContact O-N 2.96Å; A41-R43 VanDerWaalsContact O-N 3.11Å
42	S	44.8	Very low	64.8	Low	109 Å²	109	96.8 Å²	96.8	76%	0.762	52%	0.518	S	S	*	.			trans	26.5	75.7	164.2	53.2	0	0	0	0	113.8	W40 G44	W40-S42 VanDerWaalsContact C-N 3.27Å; W40-S42 PolarHBondContact O-N 3.1Å; S42-G44 VanDerWaalsContact C-N 3.25Å; S42-G44 PolarHBondContact O-N 3.11Å
43	R	44.9	Very low	66.2	Low	221 Å²	221	93.3 Å²	93.3	83%	0.834	50%	0.499	S	S	*	.			trans	-57.2	106.3	147.3	-74.4	-175.7	179.6	-167.8	-1.5	104.1	A41 E45	A41-R43 PolarHBondContact O-N 2.96Å; A41-R43 VanDerWaalsContact O-N 3.11Å; R43-E45 PolarHBondContact O-N 3.13Å; R43-E45 VanDerWaalsContact O-N 3.16Å
44	G	44.1	Very low	67.5	Low	53 Å²	53	95 Å²	95	55%	0.546	51%	0.505	S	S	.	.			trans	-50.3	126.9	167.8	0	0	0	0	0	106.2	S42 A46	S42-G44 VanDerWaalsContact C-N 3.25Å; S42-G44 PolarHBondContact O-N 3.11Å; G44-A46 PolarHBondContact O-N 3.16Å; G44-A46 VanDerWaalsContact O-N 3.13Å
45	E	48.3	Very low	68.9	Low	180 Å²	180	100 Å²	100	84%	0.841	52%	0.517	S	S	*	.			trans	-49.8	126	164.9	-79.2	174.3	148.7	0	0	106.1	R43 P166	R43-E45 PolarHBondContact O-N 3.13Å; R43-E45 VanDerWaalsContact O-N 3.16Å; E45-P166 WeakPolarHBondContact O-CG 3.48Å
46	A	70	Confident	70.5	Confident	65 Å²	65	95.4 Å²	95.4	54%	0.537	49%	0.493	S	S	.	.			trans	-62.3	177.2	170.1	0	0	0	0	0	109.1	G44	G44-A46 PolarHBondContact O-N 3.16Å; G44-A46 VanDerWaalsContact O-N 3.13Å
47	A	80.1	Confident	72.4	Confident	5 Å²	5	92.9 Å²	92.9	4%	0.041	48%	0.482	C	S	.	.	S	Bend	trans	-25.1	133.8	176.2	0	0	0	0	0	114.6	D49 Y68 F165 E167	A47-D49 PolarHBondContact O-N 3.28Å; A47-Y68 HydrophobicContact CB-CE1 3.72Å; A47-Y68 HydrophobicContact CB-CE2 4.43Å; A47-Y68 WeakPolarHBondContact CB-OH 3.39Å; A47-F165 HydrophobicContact CB-CD1 3.54Å; A47-F165 HydrophobicContact CB-CE1 3.57Å; A47-E167 WeakPolarHBondContact CB-OE1 3.42Å; A47-E167 PolarHBondContact N-OE1 3.04Å
48	P	89.8	Confident	74.4	Confident	16 Å²	16	91.2 Å²	91.2	10%	0.104	49%	0.492	C	S	.	.			trans	-62.6	103.5	-175	25.5	-34.7	0	0	0	111.4	Q50 D51 L164 F165	P48-Q50 HydrophobicContact CB-CG 4.23Å; P48-Q50 PolarHBondContact O-N 2.97Å; P48-D51 HydrophobicContact CB-CB 4.29Å; P48-D51 HydrophobicContact CG-CB 3.97Å; P48-D51 PolarHBondContact O-N 2.69Å; P48-L164 WeakPolarHBondContact CD-O 3.38Å; P48-L164 HydrophobicContact CG-CB 4.26Å; P48-F165 HydrophobicContact CG-CE1 4.41Å; P48-F165 HydrophobicContact CG-CE2 4.04Å; P48-F165 HydrophobicContact CG-CZ 3.84Å
49	D	91.6	Very high	76.2	Confident	133 Å²	133	90 Å²	90	71%	0.711	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-52.3	-32.4	178.9	-69.5	-20.8	0	0	0	112.5	A47 D51 E52	A47-D49 PolarHBondContact O-N 3.28Å; D49-D51 VanDerWaalsContact C-N 3.27Å; D49-D51 PolarHBondContact O-N 3.39Å; D49-E52 WeakPolarHBondContact O-CB 3.4Å; D49-E52 PolarHBondContact O-N 2.89Å
50	Q	94.3	Very high	78.4	Confident	153 Å²	153	92.4 Å²	92.4	72%	0.715	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-67.5	-23.6	178.5	64.6	179.3	10.2	0	0	113.9	P48 N352	P48-Q50 HydrophobicContact CB-CG 4.23Å; P48-Q50 PolarHBondContact O-N 2.97Å; Q50-N352 PolarHBondContact O-ND2 2.88Å
51	D	98	Very high	80.7	Confident	17 Å²	17	90.7 Å²	90.7	9%	0.091	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-92	-8.1	178.9	-68.4	1.9	0	0	0	111.2	P48 D49 I53 Y68 S69 Y82 N352	P48-D51 HydrophobicContact CB-CB 4.29Å; P48-D51 HydrophobicContact CG-CB 3.97Å; P48-D51 PolarHBondContact O-N 2.69Å; D49-D51 VanDerWaalsContact C-N 3.27Å; D49-D51 PolarHBondContact O-N 3.39Å; D51-I53 PolarHBondContact O-N 3.17Å; D51-Y68 CarbonylContact O-C 3.55Å; D51-Y68 VanDerWaalsContact O-CA 3.24Å; D51-Y68 WeakPolarHBondContact O-CA 3.49Å; D51-S69 PolarHBondContact O-N 2.75Å; D51-Y82 WeakPolarHBondContact CB-OH 3.27Å; D51-Y82 WeakPolarHBondContact OD2-CE1 3.11Å; D51-Y82 PolarHBondContact OD2-OH 3.11Å; D51-N352 WeakPolarHBondContact CA-ND2 3.38Å; D51-N352 PolarHBondContact O-ND2 2.94Å; D51-N352 VanDerWaalsContact O-ND2 3.11Å
52	E	98	Very high	83	Confident	48 Å²	48	91.8 Å²	91.8	22%	0.224	50%	0.498	C	S	.	.	B	Isolated β-bridge	trans	-66.3	129.6	-176.6	-167.4	179	-154.4	0	0	112.1	D49 Q54 R66 Y68	D49-E52 WeakPolarHBondContact O-CB 3.4Å; D49-E52 PolarHBondContact O-N 2.89Å; E52-Q54 PolarHBondContact O-N 2.92Å; E52-Q54 VanDerWaalsContact O-N 3.11Å; E52-Q54 PolarHBondContact OE2-NE2 3.25Å; E52-R66 WeakPolarHBondContact OE1-CD 3.33Å; E52-R66 WeakPolarHBondContact OE1-CG 3.42Å; E52-Y68 HydrophobicContact CB-CD1 3.85Å; E52-Y68 HydrophobicContact CB-CE1 3.86Å; E52-Y68 HydrophobicContact CG-CD1 4.28Å; E52-Y68 HydrophobicContact CG-CE1 4.05Å
53	I	97.3	Very high	85.2	Confident	9 Å²	9	88.6 Å²	88.6	5%	0.046	48%	0.475	C	S	.	.			trans	-81.1	94.7	175.9	-54.3	164.4	0	0	0	108.7	D51 L56 Q67 W83 A350 L351	D51-I53 PolarHBondContact O-N 3.17Å; I53-L56 HydrophobicContact CG2-CB 3.97Å; I53-L56 HydrophobicContact CG2-CD1 4.06Å; I53-Q67 HydrophobicContact CB-CG 4.11Å; I53-Q67 HydrophobicContact CD1-CB 4.21Å; I53-Q67 HydrophobicContact CD1-CG 4.03Å; I53-Q67 PolarHBondContact N-O 3.28Å; I53-W83 HydrophobicContact CD1-CD2 4.25Å; I53-W83 HydrophobicContact CD1-CG 4.43Å; I53-W83 HydrophobicContact CD1-CZ2 3.9Å; I53-A350 HydrophobicContact CG2-CB 4.5Å; I53-L351 HydrophobicContact CD1-CD2 3.55Å; I53-L351 HydrophobicContact CG1-CD2 4.1Å
54	Q	93.9	Very high	87.5	Confident	133 Å²	133	83.5 Å²	83.5	62%	0.621	47%	0.474	S	S	*	.	S	Bend	trans	-65.7	-43.6	-176.7	-64.9	-62.3	-30.6	0	0	113.7	E52	E52-Q54 PolarHBondContact O-N 2.92Å; E52-Q54 VanDerWaalsContact O-N 3.11Å; E52-Q54 PolarHBondContact OE2-NE2 3.25Å
55	R	94.6	Very high	89.9	Confident	200 Å²	200	82.2 Å²	82.2	76%	0.755	45%	0.453	S	S	*	.			trans	-147.3	111.5	179.2	-68.9	-172.1	-177.2	-173.4	1.1	110.3	P57 A350	R55-P57 WeakPolarHBondContact O-CD 3.5Å; R55-A350 WeakPolarHBondContact O-CB 3.39Å
56	L	96.4	Very high	92.1	Very high	11 Å²	11	79.1 Å²	79.1	6%	0.058	43%	0.434	C	S	.	.			trans	-88.8	121.6	178.2	-169.8	69.1	0	0	0	110.5	I53 L59 Q62 W83 Y341 A350 L351	I53-L56 HydrophobicContact CG2-CB 3.97Å; I53-L56 HydrophobicContact CG2-CD1 4.06Å; L56-L59 HydrophobicContact CB-CD1 4.08Å; L56-L59 HydrophobicContact CD2-CD1 3.97Å; L56-L59 HydrophobicContact CD2-CG 4.34Å; L56-Q62 PolarHBondContact O-NE2 2.86Å; L56-W83 HydrophobicContact CD1-CH2 3.89Å; L56-W83 HydrophobicContact CD1-CZ2 4.04Å; L56-W83 HydrophobicContact CD2-CH2 3.84Å; L56-W83 HydrophobicContact CD2-CZ2 3.68Å; L56-Y341 WeakPolarHBondContact CD2-OH 3.45Å; L56-Y341 WeakPolarHBondContact CG-OH 3.4Å; L56-A350 HydrophobicContact CD1-CB 4.48Å; L56-L351 HydrophobicContact CD1-CD2 3.98Å; L56-L351 HydrophobicContact CD1-CG 4.45Å
57	P	96.8	Very high	93.5	Very high	41 Å²	41	76.7 Å²	76.7	27%	0.266	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	148.9	176.9	-23.8	34.5	0	0	0	112.5	R55 L59 Y341 V347 A350	R55-P57 WeakPolarHBondContact O-CD 3.5Å; P57-L59 VanDerWaalsContact C-N 3.32Å; P57-L59 PolarHBondContact O-N 3Å; P57-Y341 VanDerWaalsContact O-CE2 3.3Å; P57-Y341 WeakPolarHBondContact O-CE2 3.4Å; P57-Y341 PolarHBondContact O-OH 3.15Å; P57-V347 HydrophobicContact CB-CG2 3.9Å; P57-V347 HydrophobicContact CG-CG2 3.93Å; P57-A350 HydrophobicContact CG-CB 4.45Å
58	G	94.8	Very high	94.3	Very high	79 Å²	79	76.7 Å²	76.7	81%	0.814	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-15.1	178.4	0	0	0	0	0	115.1
59	L	92.6	Very high	94.8	Very high	76 Å²	76	76 Å²	76	40%	0.398	41%	0.405	S	S	.	.			trans	-83.2	123.3	173.5	-66.9	-177.3	0	0	0	111.7	L56 P57 K61 P63	L56-L59 HydrophobicContact CB-CD1 4.08Å; L56-L59 HydrophobicContact CD2-CD1 3.97Å; L56-L59 HydrophobicContact CD2-CG 4.34Å; P57-L59 VanDerWaalsContact C-N 3.32Å; P57-L59 PolarHBondContact O-N 3Å; L59-K61 VanDerWaalsContact C-N 3.26Å; L59-K61 PolarHBondContact O-N 3.35Å; L59-P63 HydrophobicContact CD1-CG 3.8Å
60	A	92.3	Very high	95.1	Very high	109 Å²	109	69.7 Å²	69.7	90%	0.901	37%	0.372	S	S	*	.	S	Bend	trans	-67.5	-27.2	174.2	0	0	0	0	0	112.9
61	K	91.9	Very high	95.3	Very high	184 Å²	184	64.3 Å²	64.3	80%	0.8	35%	0.345	S	S	*	.	S	Bend	trans	-134.8	133.3	173.8	-66.7	-179	-179.1	178.7	0	108.4	L59	L59-K61 VanDerWaalsContact C-N 3.26Å; L59-K61 PolarHBondContact O-N 3.35Å
62	Q	89.4	Confident	95.4	Very high	85 Å²	85	63.5 Å²	63.5	40%	0.397	34%	0.341	S	S	.	.			trans	-68.9	147.5	176.3	-65.8	-60	-43.1	0	0	110.3	L56	L56-Q62 PolarHBondContact O-NE2 2.86Å
63	P	90.9	Very high	95.4	Very high	42 Å²	42	67 Å²	67	27%	0.273	36%	0.356	S	S	.	.			trans	-60.1	150.1	-179.8	-23.5	36	0	0	0	112.4	L59 F65	L59-P63 HydrophobicContact CD1-CG 3.8Å; P63-F65 VanDerWaalsContact C-N 3.28Å; P63-F65 HydrophobicContact CB-CD1 3.95Å; P63-F65 HydrophobicContact CB-CD2 4.27Å; P63-F65 HydrophobicContact CB-CE1 3.69Å; P63-F65 HydrophobicContact CB-CE2 4.01Å; P63-F65 HydrophobicContact CB-CG 4.25Å; P63-F65 HydrophobicContact CB-CZ 3.72Å; P63-F65 HydrophobicContact CG-CZ 4.31Å
64	S	92.2	Very high	95.4	Very high	115 Å²	115	66.6 Å²	66.6	80%	0.804	35%	0.354	S	S	*	.	S	Bend	trans	-85.9	-1.1	173.5	58.3	0	0	0	0	113.5
65	F	94.4	Very high	95.6	Very high	26 Å²	26	61.1 Å²	61.1	11%	0.114	33%	0.33	C	S	.	.	S	Bend	trans	-118.1	152.6	178.2	54.8	-89	0	0	0	108.8	P63 V85 Q88 P118	P63-F65 VanDerWaalsContact C-N 3.28Å; P63-F65 HydrophobicContact CB-CD1 3.95Å; P63-F65 HydrophobicContact CB-CD2 4.27Å; P63-F65 HydrophobicContact CB-CE1 3.69Å; P63-F65 HydrophobicContact CB-CE2 4.01Å; P63-F65 HydrophobicContact CB-CG 4.25Å; P63-F65 HydrophobicContact CB-CZ 3.72Å; P63-F65 HydrophobicContact CG-CZ 4.31Å; F65-V85 HydrophobicContact CE2-CB 4.23Å; F65-Q88 HydrophobicContact CD1-CB 4.33Å; F65-Q88 HydrophobicContact CD1-CG 3.47Å; F65-Q88 VanDerWaalsContact CD1-CG 3.47Å; F65-Q88 VanDerWaalsContact CE1-CD 3.41Å; F65-Q88 HydrophobicContact CE1-CG 3.71Å; F65-Q88 VanDerWaalsContact CE1-NE2 3.27Å; F65-Q88 HydrophobicContact CG-CG 4.1Å; F65-P118 HydrophobicContact CE1-CB 4.46Å; F65-P118 HydrophobicContact CE2-CB 4.07Å; F65-P118 HydrophobicContact CZ-CB 3.54Å; F65-P118 HydrophobicContact CZ-CG 3.78Å
66	R	95.9	Very high	95.7	Very high	115 Å²	115	54.7 Å²	54.7	43%	0.434	33%	0.326	S	S	.	.			trans	-78.2	152.7	177.6	-64.3	-179.7	-64.4	-122.9	-4.3	110.7	E52 Y68 E86	E52-R66 WeakPolarHBondContact OE1-CD 3.33Å; E52-R66 WeakPolarHBondContact OE1-CG 3.42Å; R66-Y68 HydrophobicContact CB-CE2 3.85Å; R66-Y68 WeakPolarHBondContact CD-OH 3.35Å; R66-Y68 PolarHBondContact NE-OH 3.4Å; R66-E86 HydrophobicContact CB-CG 4.3Å; R66-E86 IonicContact CZ-OE1 3.62Å; R66-E86 IonicContact CZ-OE2 2.75Å; R66-E86 IonicContact NE-OE1 3.37Å; R66-E86 PolarHBondContact NE-OE1 2.89Å; R66-E86 IonicContact NE-OE2 2.96Å; R66-E86 PolarHBondContact NE-OE2 3.44Å; R66-E86 IonicContact NH2-OE1 3.13Å; R66-E86 PolarHBondContact NH2-OE1 3.11Å; R66-E86 IonicContact NH2-OE2 3.36Å; R66-E86 PolarHBondContact NH2-OE2 2.88Å; R66-E86 VanDerWaalsContact NH2-OE2 3.13Å; R66-E86 WeakPolarHBondContact O-CB 2.88Å; R66-E86 PolarHBondContact O-N 3.11Å
67	Q	97.5	Very high	95.8	Very high	13 Å²	13	55.6 Å²	55.6	6%	0.061	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.5	176.5	46.3	166.1	-1.2	0	0	109.1	I53 F84 V85	I53-Q67 HydrophobicContact CB-CG 4.11Å; I53-Q67 HydrophobicContact CD1-CB 4.21Å; I53-Q67 HydrophobicContact CD1-CG 4.03Å; I53-Q67 PolarHBondContact N-O 3.28Å; Q67-F84 CarbonylContact C-O 3.58Å; Q67-F84 WeakPolarHBondContact CA-O 3.44Å; Q67-F84 WeakPolarHBondContact CB-O 3.38Å; Q67-V85 HydrophobicContact CB-CB 4.5Å; Q67-V85 HydrophobicContact CB-CG1 3.97Å
68	Y	98.6	Very high	95.9	Very high	6 Å²	6	55 Å²	55	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.7	-171.1	-54.2	-99.4	0	0	0	109	A47 D51 E52 R66 W83 F84 E86 F165	A47-Y68 HydrophobicContact CB-CE1 3.72Å; A47-Y68 HydrophobicContact CB-CE2 4.43Å; A47-Y68 WeakPolarHBondContact CB-OH 3.39Å; D51-Y68 CarbonylContact O-C 3.55Å; D51-Y68 VanDerWaalsContact O-CA 3.24Å; D51-Y68 WeakPolarHBondContact O-CA 3.49Å; E52-Y68 HydrophobicContact CB-CD1 3.85Å; E52-Y68 HydrophobicContact CB-CE1 3.86Å; E52-Y68 HydrophobicContact CG-CD1 4.28Å; E52-Y68 HydrophobicContact CG-CE1 4.05Å; R66-Y68 HydrophobicContact CB-CE2 3.85Å; R66-Y68 WeakPolarHBondContact CD-OH 3.35Å; R66-Y68 PolarHBondContact NE-OH 3.4Å; Y68-W83 CarbonylContact O-C 3.47Å; Y68-W83 WeakPolarHBondContact O-CA 3.42Å; Y68-F84 AromaticContact CD2-CD1 3.84Å; Y68-F84 HydrophobicContact CD2-CD1 3.84Å; Y68-F84 HydrophobicContact CE2-CD1 4.4Å; Y68-F84 PolarHBondContact N-O 3.49Å; Y68-F84 PolarHBondContact O-N 2.77Å; Y68-E86 HydrophobicContact CE2-CG 4.3Å; Y68-E86 PolarHBondContact OH-OE1 3.24Å; Y68-F165 HydrophobicContact CD1-CE1 4.09Å; Y68-F165 HydrophobicContact CD1-CZ 4.25Å; Y68-F165 AromaticContact CD2-CE1 3.79Å; Y68-F165 HydrophobicContact CD2-CE1 3.79Å; Y68-F165 HydrophobicContact CD2-CZ 4.19Å; Y68-F165 HydrophobicContact CE1-CE1 4.31Å; Y68-F165 AromaticContact CE2-CE1 4Å; Y68-F165 HydrophobicContact CE2-CE1 4Å; Y68-F165 AromaticContact CG-CE1 3.83Å; Y68-F165 HydrophobicContact CG-CE1 3.83Å; Y68-F165 AromaticContact CG-CZ 3.88Å; Y68-F165 HydrophobicContact CG-CZ 3.88Å
69	S	98.8	Very high	96	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.9	172	-166.6	0	0	0	0	110.4	D51 H81 Y82 L351 N352	D51-S69 PolarHBondContact O-N 2.75Å; S69-H81 PolarHBondContact OG-CE1 3.13Å; S69-H81 PolarHBondContact OG-NE2 3.02Å; S69-Y82 VanDerWaalsContact CA-O 3.26Å; S69-Y82 WeakPolarHBondContact CA-O 3.47Å; S69-Y82 PolarHBondContact OG-O 2.96Å; S69-L351 WeakPolarHBondContact CB-O 3.47Å; S69-L351 PolarHBondContact OG-O 3.14Å; S69-N352 PolarHBondContact O-ND2 2.98Å
70	G	98.6	Very high	96.4	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	-151	-173.9	0	0	0	0	0	110.6	H81 Y82	G70-H81 WeakPolarHBondContact O-CA 3.45Å; G70-H81 PolarHBondContact O-CD2 3.41Å; G70-Y82 PolarHBondContact N-O 3.37Å; G70-Y82 VanDerWaalsContact O-CD1 3.28Å; G70-Y82 WeakPolarHBondContact O-CD1 3.25Å; G70-Y82 PolarHBondContact O-N 3.28Å
71	Y	98.9	Very high	96.7	Very high	39 Å²	39	44.5 Å²	44.5	15%	0.153	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.9	-175.9	-69.5	-90.9	0	0	0	112.2	H79 L80 H81 F135 Y137 P354 L357	Y71-H79 HydrophobicContact CD1-CB 3.82Å; Y71-H79 HydrophobicContact CG-CB 4.41Å; Y71-L80 CarbonylContact C-O 3.57Å; Y71-L80 WeakPolarHBondContact CA-O 3.47Å; Y71-H81 HydrophobicContact CD1-CB 4.28Å; Y71-H81 HydrophobicContact CE1-CB 3.81Å; Y71-F135 VanDerWaalsContact CE1-O 3.26Å; Y71-F135 WeakPolarHBondContact CE1-O 3.4Å; Y71-F135 PolarHBondContact OH-O 2.87Å; Y71-F135 VanDerWaalsContact OH-O 3.07Å; Y71-Y137 HydrophobicContact CD1-CD1 4.24Å; Y71-Y137 AromaticContact CD1-CE1 3.83Å; Y71-Y137 HydrophobicContact CD1-CE1 3.83Å; Y71-Y137 AromaticContact CE1-CD1 3.7Å; Y71-Y137 HydrophobicContact CE1-CD1 3.7Å; Y71-Y137 AromaticContact CE1-CE1 3.53Å; Y71-Y137 HydrophobicContact CE1-CE1 3.53Å; Y71-Y137 HydrophobicContact CG-CE1 4.49Å; Y71-P354 VanDerWaalsContact CE2-CD 3.49Å; Y71-P354 HydrophobicContact CE2-CG 4.08Å; Y71-P354 WeakPolarHBondContact OH-CD 3.46Å; Y71-L357 HydrophobicContact CE1-CD1 4.43Å; Y71-L357 WeakPolarHBondContact OH-CD1 3.45Å
72	L	98.9	Very high	97	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.2	168.9	-57.2	178	0	0	0	109.2	G74 L80 Y82 L125 L127 A157 F161 L164	L72-G74 PolarHBondContact O-N 2.59Å; L72-L80 PolarHBondContact N-O 2.8Å; L72-L80 PolarHBondContact O-N 3.31Å; L72-Y82 HydrophobicContact CD1-CD1 4.38Å; L72-Y82 HydrophobicContact CD1-CG 4.31Å; L72-Y82 HydrophobicContact CD2-CD1 3.88Å; L72-Y82 HydrophobicContact CD2-CE1 4.02Å; L72-Y82 HydrophobicContact CD2-CG 4.46Å; L72-Y82 HydrophobicContact CG-CD1 3.66Å; L72-Y82 HydrophobicContact CG-CE1 4.3Å; L72-Y82 HydrophobicContact CG-CG 4.08Å; L72-L125 HydrophobicContact CD1-CD2 4.39Å; L72-L127 HydrophobicContact CD1-CD1 3.88Å; L72-A157 HydrophobicContact CB-CB 3.79Å; L72-A157 HydrophobicContact CD1-CB 4.32Å; L72-A157 WeakPolarHBondContact CD1-O 3.33Å; L72-F161 HydrophobicContact CD1-CB 3.81Å; L72-F161 HydrophobicContact CD2-CB 3.92Å; L72-L164 HydrophobicContact CD2-CD1 3.76Å
73	K	98.6	Very high	97.4	Very high	122 Å²	122	31.8 Å²	31.8	53%	0.53	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	115.5	177	-173	172.7	-179.5	178.2	0	110.6	E156 A157 D160	K73-E156 CarbonylContact O-C 3.48Å; K73-A157 WeakPolarHBondContact O-CA 3.24Å; K73-A157 PolarHBondContact O-N 3.48Å; K73-D160 PolarHBondContact N-OD2 3.15Å
74	G	97.9	Very high	97.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	17%	0.166	C	C	.	.			trans	-89.3	-164.9	168.1	0	0	0	0	0	112.1	L72 K78 S153	L72-G74 PolarHBondContact O-N 2.59Å; G74-K78 PolarHBondContact N-O 3.3Å; G74-S153 WeakPolarHBondContact CA-OG 3.36Å
75	S	96.9	Very high	98.1	Very high	17 Å²	17	24.5 Å²	24.5	12%	0.119	13%	0.129	C	C	.	.	S	Bend	trans	-72.1	135.9	-176.5	64.8	0	0	0	0	113.5	S77 K78 S153 E156	S75-S77 PolarHBondContact O-N 3.47Å; S75-K78 WeakPolarHBondContact O-CB 3.39Å; S75-K78 VanDerWaalsContact O-CD 3.25Å; S75-K78 WeakPolarHBondContact O-CD 3.36Å; S75-K78 WeakPolarHBondContact O-CG 3.47Å; S75-K78 PolarHBondContact O-N 2.85Å; S75-K78 PolarHBondContact O-NZ 2.9Å; S75-K78 PolarHBondContact OG-NZ 2.81Å; S75-S153 PolarHBondContact N-OG 3.22Å; S75-E156 WeakPolarHBondContact CA-OE2 3.41Å; S75-E156 WeakPolarHBondContact CB-OE2 3.38Å; S75-E156 PolarHBondContact N-OE2 2.82Å
76	G	97.1	Very high	98.2	Very high	65 Å²	65	23.5 Å²	23.5	67%	0.67	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	-121.3	-178.8	0	0	0	0	0	112.5
77	S	98	Very high	98.3	Very high	31 Å²	31	18.1 Å²	18.1	22%	0.217	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	16.5	-179.5	55.2	0	0	0	0	113.1	S75 H79 S138 D139 D140	S75-S77 PolarHBondContact O-N 3.47Å; S77-H79 PolarHBondContact O-CD2 3.09Å; S77-H79 VanDerWaalsContact O-CD2 3.22Å; S77-S138 WeakPolarHBondContact O-CA 3.43Å; S77-S138 WeakPolarHBondContact O-CB 3.48Å; S77-D139 PolarHBondContact O-N 2.84Å; S77-D139 VanDerWaalsContact O-N 3.15Å; S77-D140 PolarHBondContact OG-OD2 2.83Å
78	K	98.8	Very high	98.2	Very high	28 Å²	28	20.9 Å²	20.9	12%	0.122	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	133.1	-173.9	-64	175.7	-169.7	82.9	0	111.4	G74 S75 A131 E149 S153	G74-K78 PolarHBondContact N-O 3.3Å; S75-K78 WeakPolarHBondContact O-CB 3.39Å; S75-K78 VanDerWaalsContact O-CD 3.25Å; S75-K78 WeakPolarHBondContact O-CD 3.36Å; S75-K78 WeakPolarHBondContact O-CG 3.47Å; S75-K78 PolarHBondContact O-N 2.85Å; S75-K78 PolarHBondContact O-NZ 2.9Å; S75-K78 PolarHBondContact OG-NZ 2.81Å; K78-A131 HydrophobicContact CB-CB 4.1Å; K78-A131 HydrophobicContact CD-CB 4.21Å; K78-A131 HydrophobicContact CG-CB 3.84Å; K78-E149 VanDerWaalsContact CE-OE1 3.27Å; K78-E149 WeakPolarHBondContact CE-OE1 3.17Å; K78-E149 IonicContact NZ-OE1 3.62Å; K78-E149 PolarHBondContact NZ-OE1 3.4Å; K78-S153 WeakPolarHBondContact CD-OG 3.48Å
79	H	98.9	Very high	97.9	Very high	44 Å²	44	28.6 Å²	28.6	20%	0.204	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.1	175.5	-60.7	-83.4	0	0	0	108.6	Y71 S77 S136 Y137 D139	Y71-H79 HydrophobicContact CD1-CB 3.82Å; Y71-H79 HydrophobicContact CG-CB 4.41Å; S77-H79 PolarHBondContact O-CD2 3.09Å; S77-H79 VanDerWaalsContact O-CD2 3.22Å; H79-S136 WeakPolarHBondContact O-CA 3.46Å; H79-Y137 HydrophobicContact CB-CD1 3.94Å; H79-Y137 HydrophobicContact CB-CE1 3.58Å; H79-Y137 HydrophobicContact CB-CE2 4.27Å; H79-Y137 HydrophobicContact CB-CG 4.43Å; H79-Y137 AromaticContact CD2-CE2 3.61Å; H79-Y137 AromaticContact CD2-CZ 3.74Å; H79-Y137 AromaticContact CG-CZ 3.76Å; H79-Y137 PolarHBondContact N-O 3.48Å; H79-Y137 PolarHBondContact O-N 2.92Å; H79-D139 IonicContact CD2-OD1 3.55Å; H79-D139 IonicContact NE2-OD1 2.66Å; H79-D139 IonicContact NE2-OD2 2.73Å
80	L	98.9	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.5	-177.6	-54.9	-171.2	0	0	0	109.7	Y71 L72 Y82 L127 A131 S136 A157	Y71-L80 CarbonylContact C-O 3.57Å; Y71-L80 WeakPolarHBondContact CA-O 3.47Å; L72-L80 PolarHBondContact N-O 2.8Å; L72-L80 PolarHBondContact O-N 3.31Å; L80-Y82 PolarHBondContact O-N 3.27Å; L80-L127 HydrophobicContact CB-CD1 3.72Å; L80-L127 HydrophobicContact CB-CG 4.47Å; L80-L127 HydrophobicContact CD1-CD1 4.48Å; L80-L127 HydrophobicContact CD1-CD2 4.27Å; L80-A131 HydrophobicContact CD2-CB 4.16Å; L80-S136 WeakPolarHBondContact CA-OG 3.49Å; L80-A157 HydrophobicContact CD1-CB 3.81Å
81	H	98.9	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	133.1	174.1	175.7	-97.4	0	0	0	110	S69 G70 Y71 E128 F135 S136 I353	S69-H81 PolarHBondContact OG-CE1 3.13Å; S69-H81 PolarHBondContact OG-NE2 3.02Å; G70-H81 WeakPolarHBondContact O-CA 3.45Å; G70-H81 PolarHBondContact O-CD2 3.41Å; Y71-H81 HydrophobicContact CD1-CB 4.28Å; Y71-H81 HydrophobicContact CE1-CB 3.81Å; H81-E128 HydrophobicContact CB-CB 4.31Å; H81-E128 HydrophobicContact CB-CG 4.48Å; H81-E128 IonicContact CG-OE2 2.87Å; H81-E128 IonicContact ND1-OE2 3.77Å; H81-E128 PolarHBondContact ND1-OE2 2.81Å; H81-E128 VanDerWaalsContact ND1-OE2 3.12Å; H81-E128 PolarHBondContact O-N 3.49Å; H81-F135 HydrophobicContact CB-CB 3.81Å; H81-S136 PolarHBondContact N-OG 3.08Å; H81-I353 WeakPolarHBondContact CD2-CD1 3.36Å; H81-I353 VanDerWaalsContact NE2-CD1 3.34Å; H81-I353 WeakPolarHBondContact NE2-CD1 3.46Å
82	Y	98.9	Very high	97.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.6	173.3	80.9	-83.9	0	0	0	111	D51 S69 G70 L72 L80 F84 L125 Y126 F165	D51-Y82 WeakPolarHBondContact CB-OH 3.27Å; D51-Y82 WeakPolarHBondContact OD2-CE1 3.11Å; D51-Y82 PolarHBondContact OD2-OH 3.11Å; S69-Y82 VanDerWaalsContact CA-O 3.26Å; S69-Y82 WeakPolarHBondContact CA-O 3.47Å; S69-Y82 PolarHBondContact OG-O 2.96Å; G70-Y82 PolarHBondContact N-O 3.37Å; G70-Y82 VanDerWaalsContact O-CD1 3.28Å; G70-Y82 WeakPolarHBondContact O-CD1 3.25Å; G70-Y82 PolarHBondContact O-N 3.28Å; L72-Y82 HydrophobicContact CD1-CD1 4.38Å; L72-Y82 HydrophobicContact CD1-CG 4.31Å; L72-Y82 HydrophobicContact CD2-CD1 3.88Å; L72-Y82 HydrophobicContact CD2-CE1 4.02Å; L72-Y82 HydrophobicContact CD2-CG 4.46Å; L72-Y82 HydrophobicContact CG-CD1 3.66Å; L72-Y82 HydrophobicContact CG-CE1 4.3Å; L72-Y82 HydrophobicContact CG-CG 4.08Å; L80-Y82 PolarHBondContact O-N 3.27Å; Y82-F84 HydrophobicContact CD2-CB 3.76Å; Y82-F84 HydrophobicContact CE2-CB 3.73Å; Y82-L125 HydrophobicContact CD2-CD1 3.6Å; Y82-L125 HydrophobicContact CG-CD1 4.01Å; Y82-Y126 WeakPolarHBondContact CA-O 3.49Å; Y82-F165 AromaticContact CE2-CE2 3.92Å; Y82-F165 HydrophobicContact CE2-CE2 3.92Å; Y82-F165 AromaticContact CE2-CZ 3.96Å; Y82-F165 HydrophobicContact CE2-CZ 3.96Å; Y82-F165 AromaticContact CZ-CE2 3.87Å; Y82-F165 WeakPolarHBondContact OH-CE2 3.42Å; Y82-F165 WeakPolarHBondContact OH-CZ 3.4Å
83	W	98.8	Very high	97.5	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	108.4	163.2	-166	-24.6	0	0	0	108.1	I53 L56 Y68 L109 L112 Y126 L342 L351	I53-W83 HydrophobicContact CD1-CD2 4.25Å; I53-W83 HydrophobicContact CD1-CG 4.43Å; I53-W83 HydrophobicContact CD1-CZ2 3.9Å; L56-W83 HydrophobicContact CD1-CH2 3.89Å; L56-W83 HydrophobicContact CD1-CZ2 4.04Å; L56-W83 HydrophobicContact CD2-CH2 3.84Å; L56-W83 HydrophobicContact CD2-CZ2 3.68Å; Y68-W83 CarbonylContact O-C 3.47Å; Y68-W83 WeakPolarHBondContact O-CA 3.42Å; W83-L109 HydrophobicContact CB-CD2 3.78Å; W83-L109 HydrophobicContact CD2-CD2 4.43Å; W83-L109 HydrophobicContact CE3-CD1 4.31Å; W83-L109 HydrophobicContact CE3-CD2 3.78Å; W83-L112 HydrophobicContact CB-CD1 3.95Å; W83-L112 HydrophobicContact CD2-CD1 3.48Å; W83-L112 VanDerWaalsContact CD2-CD1 3.48Å; W83-L112 HydrophobicContact CE3-CD1 3.84Å; W83-L112 HydrophobicContact CG-CD1 3.55Å; W83-L112 HydrophobicContact CH2-CD2 4.39Å; W83-L112 HydrophobicContact CZ3-CD1 4.46Å; W83-L112 HydrophobicContact CZ3-CD2 4.41Å; W83-Y126 PolarHBondContact N-O 3.46Å; W83-Y126 WeakPolarHBondContact O-CD2 3.42Å; W83-Y126 PolarHBondContact O-N 3.06Å; W83-L342 HydrophobicContact CZ3-CD2 4.27Å; W83-L351 HydrophobicContact CD2-CD2 3.87Å; W83-L351 HydrophobicContact CE3-CD1 3.98Å; W83-L351 HydrophobicContact CE3-CD2 3.68Å; W83-L351 HydrophobicContact CE3-CG 4.49Å; W83-L351 HydrophobicContact CH2-CD1 4.19Å; W83-L351 HydrophobicContact CH2-CD2 3.58Å; W83-L351 HydrophobicContact CH2-CG 4.45Å; W83-L351 HydrophobicContact CZ2-CD2 3.73Å; W83-L351 HydrophobicContact CZ3-CD1 3.57Å; W83-L351 HydrophobicContact CZ3-CD2 3.55Å; W83-L351 HydrophobicContact CZ3-CG 4.19Å
84	F	98.6	Very high	97.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.7	179.2	-179.5	-120.4	0	0	0	109.8	Q67 Y68 Y82 E86 N123 V124 L125 F161 F165 Y168	Q67-F84 CarbonylContact C-O 3.58Å; Q67-F84 WeakPolarHBondContact CA-O 3.44Å; Q67-F84 WeakPolarHBondContact CB-O 3.38Å; Y68-F84 AromaticContact CD2-CD1 3.84Å; Y68-F84 HydrophobicContact CD2-CD1 3.84Å; Y68-F84 HydrophobicContact CE2-CD1 4.4Å; Y68-F84 PolarHBondContact N-O 3.49Å; Y68-F84 PolarHBondContact O-N 2.77Å; Y82-F84 HydrophobicContact CD2-CB 3.76Å; Y82-F84 HydrophobicContact CE2-CB 3.73Å; F84-E86 HydrophobicContact CE1-CG 4.12Å; F84-N123 HydrophobicContact CE2-CB 3.59Å; F84-N123 HydrophobicContact CZ-CB 3.51Å; F84-V124 WeakPolarHBondContact CA-O 3.13Å; F84-V124 WeakPolarHBondContact CD2-O 3.4Å; F84-L125 HydrophobicContact CB-CD1 4.04Å; F84-L125 HydrophobicContact CD2-CB 3.95Å; F84-L125 HydrophobicContact CD2-CD1 4.31Å; F84-F161 HydrophobicContact CB-CE2 4.5Å; F84-F161 HydrophobicContact CD1-CE2 4.25Å; F84-F161 AromaticContact CD2-CE2 3.91Å; F84-F161 HydrophobicContact CD2-CE2 3.91Å; F84-F161 HydrophobicContact CD2-CZ 4Å; F84-F161 HydrophobicContact CE1-CE2 4.45Å; F84-F161 HydrophobicContact CE1-CZ 4.33Å; F84-F161 HydrophobicContact CE2-CE2 4.09Å; F84-F161 AromaticContact CE2-CZ 3.7Å; F84-F161 HydrophobicContact CE2-CZ 3.7Å; F84-F161 AromaticContact CG-CE2 3.98Å; F84-F161 HydrophobicContact CG-CE2 3.98Å; F84-F161 HydrophobicContact CG-CZ 4.41Å; F84-F161 HydrophobicContact CZ-CE2 4.33Å; F84-F161 AromaticContact CZ-CZ 3.86Å; F84-F161 HydrophobicContact CZ-CZ 3.86Å; F84-F165 HydrophobicContact CD1-CD1 4.35Å; F84-F165 AromaticContact CD1-CE1 3.89Å; F84-F165 HydrophobicContact CD1-CE1 3.89Å; F84-F165 HydrophobicContact CD1-CZ 4.16Å; F84-F165 HydrophobicContact CE1-CD1 4.25Å; F84-F165 HydrophobicContact CE1-CE1 4.21Å; F84-Y168 HydrophobicContact CE1-CD2 4.02Å; F84-Y168 AromaticContact CE1-CE2 3.41Å; F84-Y168 HydrophobicContact CE1-CE2 3.41Å; F84-Y168 VanDerWaalsContact CE1-CE2 3.41Å; F84-Y168 AromaticContact CE1-CZ 3.95Å; F84-Y168 AromaticContact CZ-CD2 3.83Å; F84-Y168 HydrophobicContact CZ-CD2 3.83Å; F84-Y168 AromaticContact CZ-CE2 3.52Å; F84-Y168 HydrophobicContact CZ-CE2 3.52Å; F84-Y168 AromaticContact CZ-CZ 3.9Å
85	V	97.9	Very high	97.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.1	176.4	-61.6	0	0	0	0	109	F65 Q67 N123 V124 Y126	F65-V85 HydrophobicContact CE2-CB 4.23Å; Q67-V85 HydrophobicContact CB-CB 4.5Å; Q67-V85 HydrophobicContact CB-CG1 3.97Å; V85-N123 CarbonylContact O-C 3.49Å; V85-N123 WeakPolarHBondContact O-CA 3.49Å; V85-V124 HydrophobicContact CG2-CB 3.94Å; V85-V124 PolarHBondContact N-O 3.01Å; V85-V124 PolarHBondContact O-N 2.8Å; V85-Y126 HydrophobicContact CG2-CE2 3.87Å
86	E	97.4	Very high	97.6	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.028	21%	0.214	C	C	.	.			trans	-67.1	152.7	177.4	-71.2	-171.8	-170.9	0	0	111.1	R66 Y68 F84 Q88 P91 N123 Y168	R66-E86 HydrophobicContact CB-CG 4.3Å; R66-E86 IonicContact CZ-OE1 3.62Å; R66-E86 IonicContact CZ-OE2 2.75Å; R66-E86 IonicContact NE-OE1 3.37Å; R66-E86 PolarHBondContact NE-OE1 2.89Å; R66-E86 IonicContact NE-OE2 2.96Å; R66-E86 PolarHBondContact NE-OE2 3.44Å; R66-E86 IonicContact NH2-OE1 3.13Å; R66-E86 PolarHBondContact NH2-OE1 3.11Å; R66-E86 IonicContact NH2-OE2 3.36Å; R66-E86 PolarHBondContact NH2-OE2 2.88Å; R66-E86 VanDerWaalsContact NH2-OE2 3.13Å; R66-E86 WeakPolarHBondContact O-CB 2.88Å; R66-E86 PolarHBondContact O-N 3.11Å; Y68-E86 HydrophobicContact CE2-CG 4.3Å; Y68-E86 PolarHBondContact OH-OE1 3.24Å; F84-E86 HydrophobicContact CE1-CG 4.12Å; E86-Q88 PolarHBondContact O-N 3.49Å; E86-P91 HydrophobicContact CB-CB 3.92Å; E86-P91 HydrophobicContact CG-CB 4.33Å; E86-N123 WeakPolarHBondContact CA-OD1 3.17Å; E86-Y168 VanDerWaalsContact CD-OH 3.31Å; E86-Y168 WeakPolarHBondContact CG-OH 3.37Å; E86-Y168 PolarHBondContact OE1-OH 3.36Å
87	S	96.9	Very high	97.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.014	18%	0.183	C	C	.	.			trans	-56.1	136.7	171	-175.3	0	0	0	0	110.1	K89 S94 A122 N123	S87-K89 PolarHBondContact O-N 3.2Å; S87-K89 PolarHBondContact OG-N 2.9Å; S87-K89 PolarHBondContact OG-O 3.2Å; S87-S94 VanDerWaalsContact CB-CB 3.5Å; S87-S94 VanDerWaalsContact CB-OG 3.29Å; S87-S94 WeakPolarHBondContact CB-OG 3.42Å; S87-S94 PolarHBondContact OG-OG 2.94Å; S87-A122 WeakPolarHBondContact CA-O 3.42Å; S87-A122 PolarHBondContact N-O 2.81Å; S87-N123 PolarHBondContact N-OD1 3.29Å
88	Q	95.1	Very high	97.7	Very high	71 Å²	71	34.9 Å²	34.9	33%	0.332	17%	0.173	S	C	.	.	S	Bend	trans	-69.5	-13.5	177	-55.2	-158.6	18.1	0	0	112.7	F65 E86 P118 L120	F65-Q88 HydrophobicContact CD1-CB 4.33Å; F65-Q88 HydrophobicContact CD1-CG 3.47Å; F65-Q88 VanDerWaalsContact CD1-CG 3.47Å; F65-Q88 VanDerWaalsContact CE1-CD 3.41Å; F65-Q88 HydrophobicContact CE1-CG 3.71Å; F65-Q88 VanDerWaalsContact CE1-NE2 3.27Å; F65-Q88 HydrophobicContact CG-CG 4.1Å; E86-Q88 PolarHBondContact O-N 3.49Å; Q88-P118 PolarHBondContact NE2-O 3.11Å; Q88-L120 HydrophobicContact CB-CD2 4.29Å; Q88-L120 HydrophobicContact CG-CD2 3.96Å; Q88-L120 VanDerWaalsContact NE2-CD2 3.26Å
89	K	94.1	Very high	97.7	Very high	167 Å²	167	33.9 Å²	33.9	73%	0.726	17%	0.168	S	C	*	.	S	Bend	trans	-136.4	120.6	177.5	-174.4	179.2	179.4	-177.2	0	109.9	S87 S94	S87-K89 PolarHBondContact O-N 3.2Å; S87-K89 PolarHBondContact OG-N 2.9Å; S87-K89 PolarHBondContact OG-O 3.2Å; K89-S94 PolarHBondContact O-OG 2.96Å
90	D	95.3	Very high	97.7	Very high	84 Å²	84	31.9 Å²	31.9	45%	0.449	16%	0.159	S	C	.	.			trans	53.3	60.3	174.6	-170.4	12	0	0	0	113.1	E92 N93 S94	D90-E92 PolarHBondContact O-N 3.26Å; D90-N93 PolarHBondContact O-N 3.4Å; D90-N93 PolarHBondContact OD1-ND2 3.01Å; D90-N93 PolarHBondContact OD2-ND2 2.59Å; D90-S94 VanDerWaalsContact O-CB 3.29Å; D90-S94 WeakPolarHBondContact O-CB 3.38Å; D90-S94 PolarHBondContact O-N 3.37Å; D90-S94 PolarHBondContact O-OG 3.11Å
91	P	96.4	Very high	97.7	Very high	28 Å²	28	32.3 Å²	32.3	18%	0.182	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-32.1	-177.8	25.8	-34.6	0	0	0	112.8	E86 N93 S94 N123 Y168	E86-P91 HydrophobicContact CB-CB 3.92Å; E86-P91 HydrophobicContact CG-CB 4.33Å; P91-N93 VanDerWaalsContact C-N 3.26Å; P91-N93 PolarHBondContact O-N 3.14Å; P91-S94 PolarHBondContact O-N 2.84Å; P91-N123 WeakPolarHBondContact CA-OD1 3.39Å; P91-N123 VanDerWaalsContact CB-OD1 3.24Å; P91-N123 WeakPolarHBondContact CB-OD1 3.47Å; P91-N123 PolarHBondContact O-ND2 2.98Å; P91-Y168 WeakPolarHBondContact O-CE1 3.45Å
92	E	97.2	Very high	97.7	Very high	147 Å²	147	32.5 Å²	32.5	69%	0.687	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.4	-179.8	-65.4	-179.9	-169.4	0	0	113.6	D90 N171	D90-E92 PolarHBondContact O-N 3.26Å; E92-N171 PolarHBondContact O-ND2 2.97Å; E92-N171 PolarHBondContact O-OD1 3.09Å; E92-N171 VanDerWaalsContact O-OD1 3.08Å
93	N	97.2	Very high	97.6	Very high	114 Å²	114	32.6 Å²	32.6	61%	0.61	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-5	-178.5	-57.8	-73.4	0	0	0	113.7	D90 P91 N171	D90-N93 PolarHBondContact O-N 3.4Å; D90-N93 PolarHBondContact OD1-ND2 3.01Å; D90-N93 PolarHBondContact OD2-ND2 2.59Å; P91-N93 VanDerWaalsContact C-N 3.26Å; P91-N93 PolarHBondContact O-N 3.14Å; N93-N171 VanDerWaalsContact C-OD1 3.28Å; N93-N171 WeakPolarHBondContact CA-OD1 3.39Å
94	S	97.8	Very high	97.6	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	16%	0.163	C	C	.	.	S	Bend	trans	-73.8	145	179.8	-73	0	0	0	0	111.4	S87 K89 D90 P91 N123 N171	S87-S94 VanDerWaalsContact CB-CB 3.5Å; S87-S94 VanDerWaalsContact CB-OG 3.29Å; S87-S94 WeakPolarHBondContact CB-OG 3.42Å; S87-S94 PolarHBondContact OG-OG 2.94Å; K89-S94 PolarHBondContact O-OG 2.96Å; D90-S94 VanDerWaalsContact O-CB 3.29Å; D90-S94 WeakPolarHBondContact O-CB 3.38Å; D90-S94 PolarHBondContact O-N 3.37Å; D90-S94 PolarHBondContact O-OG 3.11Å; P91-S94 PolarHBondContact O-N 2.84Å; S94-N123 PolarHBondContact O-ND2 2.82Å; S94-N171 PolarHBondContact O-OD1 2.88Å
95	P	98.4	Very high	97.6	Very high	22 Å²	22	32.5 Å²	32.5	14%	0.143	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-54.4	147.5	175.2	-23.7	33.8	0	0	0	112.5	V97 N123 K172 F174	P95-V97 HydrophobicContact CB-CG2 4.47Å; P95-N123 PolarHBondContact O-N 2.83Å; P95-K172 CarbonylContact C-O 3.46Å; P95-K172 VanDerWaalsContact CA-O 3.24Å; P95-K172 WeakPolarHBondContact CA-O 3.28Å; P95-K172 HydrophobicContact CB-CB 4.26Å; P95-K172 WeakPolarHBondContact CB-O 3.41Å; P95-F174 HydrophobicContact CB-CD2 3.94Å; P95-F174 HydrophobicContact CB-CE2 4Å; P95-F174 HydrophobicContact CG-CE2 4.32Å
96	V	98.8	Very high	97.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.7	162.8	178.5	0	0	0	0	107.8	N123 F161 Y168 N171 K172 L173 F174	V96-N123 CarbonylContact C-O 3.53Å; V96-N123 WeakPolarHBondContact CA-O 3.38Å; V96-F161 HydrophobicContact CG1-CE1 3.98Å; V96-F161 HydrophobicContact CG1-CZ 4.35Å; V96-Y168 HydrophobicContact CG2-CD1 4.08Å; V96-Y168 HydrophobicContact CG2-CG 4Å; V96-N171 HydrophobicContact CG2-CB 3.96Å; V96-K172 PolarHBondContact N-O 2.95Å; V96-L173 HydrophobicContact CB-CD1 4.3Å; V96-L173 HydrophobicContact CG1-CD1 4.06Å; V96-L173 CarbonylContact O-C 3.48Å; V96-L173 WeakPolarHBondContact O-CA 3.46Å; V96-F174 PolarHBondContact O-N 2.97Å
97	V	98.8	Very high	97.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.6	176.5	178.1	0	0	0	0	109.2	P95 A122 N123 V124 L125 F174 T176 F472 L476	P95-V97 HydrophobicContact CB-CG2 4.47Å; V97-A122 HydrophobicContact CG2-CB 3.88Å; V97-N123 PolarHBondContact N-O 3.48Å; V97-V124 CarbonylContact O-C 3.53Å; V97-V124 WeakPolarHBondContact O-CA 3.49Å; V97-L125 PolarHBondContact O-N 3.31Å; V97-F174 WeakPolarHBondContact CA-O 3.33Å; V97-F174 HydrophobicContact CG2-CB 4.05Å; V97-T176 HydrophobicContact CG1-CG2 3.86Å; V97-T176 VanDerWaalsContact CG1-OG1 3.24Å; V97-T176 WeakPolarHBondContact CG1-OG1 3.34Å; V97-F472 HydrophobicContact CB-CZ 4.31Å; V97-F472 HydrophobicContact CG1-CE2 4.19Å; V97-F472 HydrophobicContact CG1-CZ 3.98Å; V97-F472 HydrophobicContact CG2-CE2 4.45Å; V97-F472 HydrophobicContact CG2-CZ 3.83Å; V97-L476 HydrophobicContact CG2-CD1 4.47Å; V97-L476 HydrophobicContact CG2-CD2 4.01Å
98	L	98.9	Very high	97.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.2	166.4	173.2	69.2	0	0	0	108.5	L100 L125 L127 F174 L175 T176 L188	L98-L100 HydrophobicContact CD1-CD2 4.14Å; L98-L100 HydrophobicContact CD1-CG 4.42Å; L98-L100 HydrophobicContact CD2-CD1 4.16Å; L98-L100 HydrophobicContact CD2-CG 4.14Å; L98-L100 HydrophobicContact CG-CD2 4.41Å; L98-L100 HydrophobicContact CG-CG 4.14Å; L98-L125 HydrophobicContact CD1-CB 4.45Å; L98-L125 HydrophobicContact CD1-CD2 3.95Å; L98-L125 HydrophobicContact CD1-CG 4.05Å; L98-L127 HydrophobicContact CD1-CB 3.77Å; L98-L127 HydrophobicContact CD1-CD2 4.19Å; L98-F174 PolarHBondContact N-O 3.2Å; L98-L175 HydrophobicContact CB-CD2 4.03Å; L98-L175 HydrophobicContact CD2-CD2 3.85Å; L98-T176 CarbonylContact O-C 3.51Å; L98-T176 WeakPolarHBondContact O-CA 3.41Å; L98-T176 PolarHBondContact O-N 3.04Å; L98-T176 PolarHBondContact O-OG1 3.17Å; L98-L188 HydrophobicContact CD2-CD2 3.48Å; L98-L188 VanDerWaalsContact CD2-CD2 3.48Å
99	W	98.9	Very high	98	Very high	6 Å²	6	29.1 Å²	29.1	2%	0.023	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.9	169.1	-179.9	-93.9	0	0	0	111	N101 H116 V124 L125 Y126 L127 T176 E178	W99-N101 PolarHBondContact NE1-OD1 3Å; W99-H116 AromaticContact CD2-CE1 3.56Å; W99-H116 AromaticContact CD2-NE2 3.1Å; W99-H116 AromaticContact CE2-CE1 3.87Å; W99-H116 AromaticContact CE2-NE2 3.29Å; W99-H116 VanDerWaalsContact CE2-NE2 3.29Å; W99-H116 AromaticContact CE3-CE1 3.85Å; W99-H116 AromaticContact CE3-NE2 3.08Å; W99-H116 AromaticContact CG-CE1 3.78Å; W99-H116 AromaticContact CG-NE2 3.83Å; W99-H116 AromaticContact CH2-CD2 3.86Å; W99-H116 AromaticContact CH2-NE2 3.43Å; W99-H116 WeakPolarHBondContact CH2-NE2 3.28Å; W99-H116 AromaticContact CZ2-CD2 3.98Å; W99-H116 AromaticContact CZ2-NE2 3.46Å; W99-H116 WeakPolarHBondContact CZ2-NE2 3.37Å; W99-H116 AromaticContact CZ3-CD2 3.99Å; W99-H116 AromaticContact CZ3-NE2 3.25Å; W99-H116 VanDerWaalsContact CZ3-NE2 3.25Å; W99-H116 WeakPolarHBondContact CZ3-NE2 3.48Å; W99-V124 HydrophobicContact CB-CG1 4.22Å; W99-L125 PolarHBondContact N-O 3.22Å; W99-Y126 HydrophobicContact CB-CD1 3.99Å; W99-Y126 HydrophobicContact CB-CE1 4.21Å; W99-Y126 AromaticContact CD1-CD1 3.57Å; W99-Y126 AromaticContact CD1-CE1 3.88Å; W99-Y126 AromaticContact CG-CD1 3.99Å; W99-Y126 HydrophobicContact CG-CD1 3.99Å; W99-Y126 HydrophobicContact CG-CE1 4.07Å; W99-L127 PolarHBondContact O-N 3.08Å; W99-T176 CarbonylContact C-O 3.56Å; W99-T176 WeakPolarHBondContact CA-O 3.34Å; W99-E178 HydrophobicContact CH2-CB 4.07Å; W99-E178 HydrophobicContact CZ2-CB 3.93Å
100	L	98.9	Very high	98.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.5	172.7	-62.4	-179.6	0	0	0	110.9	L98 S108 L127 T176 G177 E178 A181 I185 L188	L98-L100 HydrophobicContact CD1-CD2 4.14Å; L98-L100 HydrophobicContact CD1-CG 4.42Å; L98-L100 HydrophobicContact CD2-CD1 4.16Å; L98-L100 HydrophobicContact CD2-CG 4.14Å; L98-L100 HydrophobicContact CG-CD2 4.41Å; L98-L100 HydrophobicContact CG-CG 4.14Å; L100-S108 WeakPolarHBondContact CA-OG 3.4Å; L100-L127 HydrophobicContact CD2-CB 3.84Å; L100-L127 HydrophobicContact CD2-CD2 4.33Å; L100-L127 HydrophobicContact CD2-CG 4.37Å; L100-L127 WeakPolarHBondContact CD2-O 3.5Å; L100-T176 PolarHBondContact N-O 3.14Å; L100-G177 CarbonylContact O-C 3.5Å; L100-G177 WeakPolarHBondContact O-CA 3.46Å; L100-E178 PolarHBondContact O-N 2.95Å; L100-A181 HydrophobicContact CB-CB 4.09Å; L100-A181 WeakPolarHBondContact O-CB 3.45Å; L100-I185 HydrophobicContact CB-CD1 4.3Å; L100-I185 HydrophobicContact CD1-CD1 3.85Å; L100-I185 HydrophobicContact CG-CD1 4.19Å; L100-L188 HydrophobicContact CD1-CD2 4.48Å
101	N	98.9	Very high	98.3	Very high	10 Å²	10	17.9 Å²	17.9	5%	0.053	10%	0.096	C	C	.	.			trans	-74	171.6	161.7	-76.5	82.2	0	0	0	110.6	W99 S107 S108 G111 E115	W99-N101 PolarHBondContact NE1-OD1 3Å; N101-S107 WeakPolarHBondContact CB-O 3.48Å; N101-S108 PolarHBondContact N-OG 3.33Å; N101-S108 VanDerWaalsContact N-OG 3.09Å; N101-S108 VanDerWaalsContact OD1-CA 3.26Å; N101-S108 WeakPolarHBondContact OD1-CA 3.02Å; N101-G111 WeakPolarHBondContact OD1-CA 3.26Å; N101-G111 PolarHBondContact OD1-N 2.9Å; N101-G111 VanDerWaalsContact OD1-N 3.12Å; N101-E115 PolarHBondContact ND2-OE1 3.03Å
102	G	98.4	Very high	98.4	Very high	3 Å²	3	17.2 Å²	17.2	3%	0.031	9%	0.091	C	C	.	.			trans	-99.7	-114.6	-172.2	0	0	0	0	0	115.4	P104 G105 C106 E178	G102-P104 WeakPolarHBondContact O-CA 3.38Å; G102-G105 PolarHBondContact O-N 3.11Å; G102-C106 PolarHBondContact O-N 3.37Å; G102-E178 PolarHBondContact N-O 2.97Å
103	G	97.9	Very high	98.4	Very high	2 Å²	2	13.2 Å²	13.2	2%	0.021	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.1	-101.8	-169.7	0	0	0	0	0	112	C106 N304	G103-C106 WeakPolarHBondContact CA-SG 3.4Å; G103-N304 PolarHBondContact O-ND2 3.44Å
104	P	97.9	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	cis	-70.9	147.3	9.2	29.2	-35.3	0	0	0	112.3	G102 Y180 Y184 N368 Y371 R373	G102-P104 WeakPolarHBondContact O-CA 3.38Å; P104-Y180 HydrophobicContact CB-CD1 3.86Å; P104-Y180 HydrophobicContact CB-CE1 3.99Å; P104-Y180 HydrophobicContact CB-CG 4.21Å; P104-Y180 HydrophobicContact CG-CD1 4.42Å; P104-Y180 HydrophobicContact CG-CD2 4.39Å; P104-Y180 HydrophobicContact CG-CE1 4.36Å; P104-Y180 HydrophobicContact CG-CE2 4.28Å; P104-Y180 HydrophobicContact CG-CG 4.46Å; P104-Y184 VanDerWaalsContact CA-OH 3.27Å; P104-Y184 WeakPolarHBondContact CA-OH 3.21Å; P104-Y184 WeakPolarHBondContact CB-OH 3.46Å; P104-N368 WeakPolarHBondContact O-CB 3.06Å; P104-N368 PolarHBondContact O-ND2 3.46Å; P104-Y371 HydrophobicContact CB-CD1 4.05Å; P104-Y371 HydrophobicContact CB-CD2 3.61Å; P104-Y371 HydrophobicContact CB-CE1 4.24Å; P104-Y371 HydrophobicContact CB-CE2 3.79Å; P104-Y371 HydrophobicContact CB-CG 3.74Å; P104-Y371 HydrophobicContact CG-CD1 3.72Å; P104-Y371 HydrophobicContact CG-CD2 4.01Å; P104-Y371 HydrophobicContact CG-CE1 4.28Å; P104-Y371 HydrophobicContact CG-CG 3.58Å; P104-R373 VanDerWaalsContact CD-NH2 3.32Å
105	G	98.3	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.3	12.4	179.1	0	0	0	0	0	115.3	G102 C363 N364	G102-G105 PolarHBondContact O-N 3.11Å; G105-C363 CarbonylContact O-C 3.33Å; G105-C363 VanDerWaalsContact O-CA 3.28Å; G105-C363 WeakPolarHBondContact O-CA 3.48Å; G105-N364 PolarHBondContact O-N 2.89Å
106	C	98.8	Very high	98.1	Very high	10 Å²	10	10.3 Å²	10.3	7%	0.068	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-103.6	145.6	178.4	-59.2	0	0	0	0	111.9	G102 G103 V133 M362 C363	G102-C106 PolarHBondContact O-N 3.37Å; G103-C106 WeakPolarHBondContact CA-SG 3.4Å; C106-V133 VanDerWaalsContact C-CG1 3.43Å; C106-M362 CarbonylContact C-O 3.5Å; C106-M362 VanDerWaalsContact CA-O 3.24Å; C106-M362 WeakPolarHBondContact CA-O 3.44Å; C106-C363 HydrophobicContact CB-CB 4.1Å; C106-C363 WeakPolarHBondContact CB-SG 3.32Å; C106-C363 WeakPolarHBondContact SG-CB 3.31Å; C106-C363 CovalentContact SG-SG 2.04Å; C106-C363 PolarHBondContact SG-SG 2.86Å
107	S	98.9	Very high	97.6	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.007	7%	0.07	C	C	.	.			trans	-75	140	-172	164.2	0	0	0	0	113	N101 L109 D110 E128 W360 M362	N101-S107 WeakPolarHBondContact CB-O 3.48Å; S107-L109 PolarHBondContact O-N 2.91Å; S107-L109 WeakPolarHBondContact OG-CB 3.37Å; S107-L109 PolarHBondContact OG-N 3.31Å; S107-D110 WeakPolarHBondContact O-CB 3.29Å; S107-D110 PolarHBondContact O-N 3.15Å; S107-E128 WeakPolarHBondContact CB-OE1 3.33Å; S107-E128 PolarHBondContact OG-OE1 2.94Å; S107-W360 WeakPolarHBondContact OG-CZ2 3.4Å; S107-M362 PolarHBondContact N-O 2.8Å
108	S	98.9	Very high	96.6	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.007	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.1	172	-56.6	0	0	0	0	114.1	L100 N101 D110 G111 L112 Y126 L127	L100-S108 WeakPolarHBondContact CA-OG 3.4Å; N101-S108 PolarHBondContact N-OG 3.33Å; N101-S108 VanDerWaalsContact N-OG 3.09Å; N101-S108 VanDerWaalsContact OD1-CA 3.26Å; N101-S108 WeakPolarHBondContact OD1-CA 3.02Å; S108-D110 PolarHBondContact O-N 3.42Å; S108-G111 PolarHBondContact O-N 3.24Å; S108-L112 PolarHBondContact O-N 3.06Å; S108-Y126 VanDerWaalsContact O-CD1 3.31Å; S108-Y126 WeakPolarHBondContact O-CD1 3.34Å; S108-L127 WeakPolarHBondContact CB-O 3.34Å; S108-L127 PolarHBondContact OG-O 2.99Å
109	L	98.8	Very high	95	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-74.5	-13.1	171.1	-58.8	-173.2	0	0	0	112.2	W83 S107 L112 L113 E128 F135 L342 W360	W83-L109 HydrophobicContact CB-CD2 3.78Å; W83-L109 HydrophobicContact CD2-CD2 4.43Å; W83-L109 HydrophobicContact CE3-CD1 4.31Å; W83-L109 HydrophobicContact CE3-CD2 3.78Å; S107-L109 PolarHBondContact O-N 2.91Å; S107-L109 WeakPolarHBondContact OG-CB 3.37Å; S107-L109 PolarHBondContact OG-N 3.31Å; L109-L112 HydrophobicContact CD2-CD1 4.32Å; L109-L112 PolarHBondContact O-N 3.23Å; L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 2.74Å; L109-E128 HydrophobicContact CD1-CG 4.42Å; L109-E128 HydrophobicContact CG-CG 3.89Å; L109-F135 HydrophobicContact CD1-CD2 4.23Å; L109-F135 HydrophobicContact CD1-CE2 4.29Å; L109-L342 HydrophobicContact CB-CD1 4.12Å; L109-L342 HydrophobicContact CD1-CD1 3.93Å; L109-L342 HydrophobicContact CD1-CD2 4.07Å; L109-W360 HydrophobicContact CB-CZ2 4.33Å
110	D	98.2	Very high	93.5	Very high	15 Å²	15	19.9 Å²	19.9	8%	0.08	12%	0.117	C	C	.	.	H	α-helix	trans	-61.5	-52.4	165.7	-166.6	28.5	0	0	0	110.1	S107 S108 L112 L113 T114 M362	S107-D110 WeakPolarHBondContact O-CB 3.29Å; S107-D110 PolarHBondContact O-N 3.15Å; S108-D110 PolarHBondContact O-N 3.42Å; D110-L112 PolarHBondContact O-N 2.87Å; D110-L112 VanDerWaalsContact O-N 3.13Å; D110-L113 PolarHBondContact O-N 3.45Å; D110-L113 VanDerWaalsContact O-N 3.1Å; D110-T114 PolarHBondContact O-N 3.07Å; D110-T114 PolarHBondContact O-OG1 3.27Å; D110-T114 WeakPolarHBondContact OD1-CB 3.19Å; D110-T114 WeakPolarHBondContact OD1-CG2 3.34Å; D110-T114 PolarHBondContact OD1-OG1 3.42Å; D110-M362 HydrophobicContact CB-CE 4.11Å; D110-M362 HydrophobicContact CB-CG 4.45Å; D110-M362 HydrophobicContact CB-SD 4.46Å; D110-M362 VanDerWaalsContact CG-CE 3.5Å; D110-M362 WeakPolarHBondContact OD1-CE 3.36Å
111	G	97.8	Very high	92.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	I	π-helix	trans	-54.3	-35.7	173.5	0	0	0	0	0	114.4	N101 S108 E115 H116 G117	N101-G111 WeakPolarHBondContact OD1-CA 3.26Å; N101-G111 PolarHBondContact OD1-N 2.9Å; N101-G111 VanDerWaalsContact OD1-N 3.12Å; S108-G111 PolarHBondContact O-N 3.24Å; G111-E115 WeakPolarHBondContact CA-OE1 3.37Å; G111-E115 PolarHBondContact N-OE1 2.82Å; G111-H116 PolarHBondContact O-N 2.82Å; G111-H116 PolarHBondContact O-ND1 3.01Å; G111-G117 PolarHBondContact O-N 3.3Å
112	L	97.9	Very high	92.7	Very high	14 Å²	14	21.4 Å²	21.4	7%	0.073	13%	0.125	C	C	.	.	I	π-helix	trans	-70.1	-52.1	175.4	-168.1	158.3	0	0	0	111.6	W83 S108 L109 D110 G117 Y126	W83-L112 HydrophobicContact CB-CD1 3.95Å; W83-L112 HydrophobicContact CD2-CD1 3.48Å; W83-L112 VanDerWaalsContact CD2-CD1 3.48Å; W83-L112 HydrophobicContact CE3-CD1 3.84Å; W83-L112 HydrophobicContact CG-CD1 3.55Å; W83-L112 HydrophobicContact CH2-CD2 4.39Å; W83-L112 HydrophobicContact CZ3-CD1 4.46Å; W83-L112 HydrophobicContact CZ3-CD2 4.41Å; S108-L112 PolarHBondContact O-N 3.06Å; L109-L112 HydrophobicContact CD2-CD1 4.32Å; L109-L112 PolarHBondContact O-N 3.23Å; D110-L112 PolarHBondContact O-N 2.87Å; D110-L112 VanDerWaalsContact O-N 3.13Å; L112-G117 WeakPolarHBondContact O-CA 3.44Å; L112-G117 PolarHBondContact O-N 3.4Å; L112-Y126 VanDerWaalsContact CA-CE1 3.47Å; L112-Y126 HydrophobicContact CB-CD1 3.71Å; L112-Y126 HydrophobicContact CB-CD2 4.15Å; L112-Y126 HydrophobicContact CB-CE1 3.73Å; L112-Y126 HydrophobicContact CB-CE2 4.18Å; L112-Y126 HydrophobicContact CB-CG 3.91Å; L112-Y126 HydrophobicContact CD1-CD2 3.63Å; L112-Y126 HydrophobicContact CD1-CE2 3.93Å; L112-Y126 HydrophobicContact CD1-CG 4.01Å; L112-Y126 HydrophobicContact CG-CD2 4.1Å; L112-Y126 HydrophobicContact CG-CE1 4.41Å; L112-Y126 HydrophobicContact CG-CE2 3.99Å; L112-Y126 HydrophobicContact CG-CG 4.36Å; L112-Y126 VanDerWaalsContact N-CE1 3.32Å
113	L	97.4	Very high	92.7	Very high	62 Å²	62	21.2 Å²	21.2	33%	0.325	12%	0.123	S	C	.	.	I	π-helix	trans	-89.5	-21.5	-166	-65.5	175	0	0	0	114.4	L109 D110 A338 Y341 L342	L109-L113 WeakPolarHBondContact O-CB 3.49Å; L109-L113 WeakPolarHBondContact O-CG 3.49Å; L109-L113 PolarHBondContact O-N 2.74Å; D110-L113 PolarHBondContact O-N 3.45Å; D110-L113 VanDerWaalsContact O-N 3.1Å; L113-A338 HydrophobicContact CD1-CB 4.38Å; L113-Y341 HydrophobicContact CD1-CD1 4.22Å; L113-Y341 HydrophobicContact CD2-CD1 4.43Å; L113-Y341 HydrophobicContact CD2-CE1 4.32Å; L113-L342 HydrophobicContact CD1-CD1 3.68Å; L113-L342 HydrophobicContact CD1-CD2 3.96Å; L113-L342 HydrophobicContact CD1-CG 3.78Å
114	T	96.6	Very high	92.8	Very high	57 Å²	57	21.2 Å²	21.2	35%	0.35	12%	0.123	S	C	.	.	I	π-helix	trans	-122.8	-26.2	-171.1	75.8	0	0	0	0	113.1	D110 T462	D110-T114 PolarHBondContact O-N 3.07Å; D110-T114 PolarHBondContact O-OG1 3.27Å; D110-T114 WeakPolarHBondContact OD1-CB 3.19Å; D110-T114 WeakPolarHBondContact OD1-CG2 3.34Å; D110-T114 PolarHBondContact OD1-OG1 3.42Å; T114-T462 PolarHBondContact O-OG1 3.19Å
115	E	97.2	Very high	92.8	Very high	15 Å²	15	21.2 Å²	21.2	7%	0.07	12%	0.123	C	C	.	.	I	π-helix	trans	-101.2	-62.8	-176	-50.4	-174	-112.5	0	0	112	N101 G111 M459 P461 T462	N101-E115 PolarHBondContact ND2-OE1 3.03Å; G111-E115 WeakPolarHBondContact CA-OE1 3.37Å; G111-E115 PolarHBondContact N-OE1 2.82Å; E115-M459 HydrophobicContact CG-CB 4.38Å; E115-M459 HydrophobicContact CG-CG 4.45Å; E115-M459 HydrophobicContact CG-SD 4.49Å; E115-P461 HydrophobicContact CB-CB 4Å; E115-P461 HydrophobicContact CB-CG 4.19Å; E115-T462 WeakPolarHBondContact CA-OG1 3.38Å
116	H	94.9	Very high	92.8	Very high	16 Å²	16	21.2 Å²	21.2	7%	0.074	12%	0.123	C	C	.	.	I	π-helix	trans	-153.9	4	-161	69.2	42.5	0	0	0	118.5	W99 G111 F119 Y126 P461	W99-H116 AromaticContact CD2-CE1 3.56Å; W99-H116 AromaticContact CD2-NE2 3.1Å; W99-H116 AromaticContact CE2-CE1 3.87Å; W99-H116 AromaticContact CE2-NE2 3.29Å; W99-H116 VanDerWaalsContact CE2-NE2 3.29Å; W99-H116 AromaticContact CE3-CE1 3.85Å; W99-H116 AromaticContact CE3-NE2 3.08Å; W99-H116 AromaticContact CG-CE1 3.78Å; W99-H116 AromaticContact CG-NE2 3.83Å; W99-H116 AromaticContact CH2-CD2 3.86Å; W99-H116 AromaticContact CH2-NE2 3.43Å; W99-H116 WeakPolarHBondContact CH2-NE2 3.28Å; W99-H116 AromaticContact CZ2-CD2 3.98Å; W99-H116 AromaticContact CZ2-NE2 3.46Å; W99-H116 WeakPolarHBondContact CZ2-NE2 3.37Å; W99-H116 AromaticContact CZ3-CD2 3.99Å; W99-H116 AromaticContact CZ3-NE2 3.25Å; W99-H116 VanDerWaalsContact CZ3-NE2 3.25Å; W99-H116 WeakPolarHBondContact CZ3-NE2 3.48Å; G111-H116 PolarHBondContact O-N 2.82Å; G111-H116 PolarHBondContact O-ND1 3.01Å; H116-F119 HydrophobicContact CB-CD1 4.24Å; H116-F119 HydrophobicContact CB-CD2 3.89Å; H116-F119 HydrophobicContact CB-CE1 3.61Å; H116-F119 HydrophobicContact CB-CE2 3.25Å; H116-F119 HydrophobicContact CB-CG 4.4Å; H116-F119 HydrophobicContact CB-CZ 3.12Å; H116-F119 AromaticContact CD2-CE2 3.3Å; H116-F119 WeakPolarHBondContact CD2-CE2 3.26Å; H116-F119 AromaticContact CD2-CZ 3.66Å; H116-F119 AromaticContact CE1-CD2 3.98Å; H116-F119 AromaticContact CE1-CE2 3.56Å; H116-F119 AromaticContact CG-CD2 3.71Å; H116-F119 AromaticContact CG-CE2 2.99Å; H116-F119 AromaticContact CG-CZ 3.4Å; H116-F119 AromaticContact ND1-CD2 3.47Å; H116-F119 WeakPolarHBondContact ND1-CD2 3.29Å; H116-F119 AromaticContact ND1-CE2 3.18Å; H116-F119 WeakPolarHBondContact ND1-CE2 3.39Å; H116-F119 AromaticContact NE2-CE2 3.61Å; H116-F119 WeakPolarHBondContact O-CD1 3.24Å; H116-F119 VanDerWaalsContact O-CD2 3.25Å; H116-F119 WeakPolarHBondContact O-CD2 3.46Å; H116-F119 WeakPolarHBondContact O-CG 3.41Å; H116-F119 PolarHBondContact O-N 2.94Å; H116-Y126 AromaticContact CE1-CE1 3.28Å; H116-Y126 WeakPolarHBondContact CE1-CE1 3.27Å; H116-Y126 AromaticContact CE1-CZ 3.61Å; H116-Y126 PolarHBondContact CE1-OH 2.67Å; H116-Y126 VanDerWaalsContact CE1-OH 3.23Å; H116-Y126 AromaticContact ND1-CE1 3.56Å; H116-Y126 AromaticContact ND1-CZ 3.6Å; H116-Y126 PolarHBondContact ND1-OH 3.16Å; H116-P461 HydrophobicContact CB-CB 3.77Å; H116-P461 HydrophobicContact CB-CG 4.4Å
117	G	87.2	Confident	92.9	Very high	26 Å²	26	20.8 Å²	20.8	27%	0.268	12%	0.12	S	C	.	.			trans	-73.9	155.2	167.2	0	0	0	0	0	112.2	G111 L112 Y126	G111-G117 PolarHBondContact O-N 3.3Å; L112-G117 WeakPolarHBondContact O-CA 3.44Å; L112-G117 PolarHBondContact O-N 3.4Å; G117-Y126 WeakPolarHBondContact CA-OH 3.39Å; G117-Y126 PolarHBondContact N-OH 2.87Å
118	P	78.5	Confident	92.9	Very high	69 Å²	69	20.8 Å²	20.8	45%	0.448	12%	0.12	S	C	.	.	S	Bend	cis	-79.2	115.7	-31.7	29.9	-28.9	0	0	0	111	F65 Q88	F65-P118 HydrophobicContact CE1-CB 4.46Å; F65-P118 HydrophobicContact CE2-CB 4.07Å; F65-P118 HydrophobicContact CZ-CB 3.54Å; F65-P118 HydrophobicContact CZ-CG 3.78Å; Q88-P118 PolarHBondContact NE2-O 3.11Å
119	F	65.2	Low	92.9	Very high	26 Å²	26	20.8 Å²	20.8	11%	0.114	12%	0.12	C	C	.	.			trans	-65.6	154	174.1	-79.9	-57.9	0	0	0	113.2	H116 F469	H116-F119 HydrophobicContact CB-CD1 4.24Å; H116-F119 HydrophobicContact CB-CD2 3.89Å; H116-F119 HydrophobicContact CB-CE1 3.61Å; H116-F119 HydrophobicContact CB-CE2 3.25Å; H116-F119 HydrophobicContact CB-CG 4.4Å; H116-F119 HydrophobicContact CB-CZ 3.12Å; H116-F119 AromaticContact CD2-CE2 3.3Å; H116-F119 WeakPolarHBondContact CD2-CE2 3.26Å; H116-F119 AromaticContact CD2-CZ 3.66Å; H116-F119 AromaticContact CE1-CD2 3.98Å; H116-F119 AromaticContact CE1-CE2 3.56Å; H116-F119 AromaticContact CG-CD2 3.71Å; H116-F119 AromaticContact CG-CE2 2.99Å; H116-F119 AromaticContact CG-CZ 3.4Å; H116-F119 AromaticContact ND1-CD2 3.47Å; H116-F119 WeakPolarHBondContact ND1-CD2 3.29Å; H116-F119 AromaticContact ND1-CE2 3.18Å; H116-F119 WeakPolarHBondContact ND1-CE2 3.39Å; H116-F119 AromaticContact NE2-CE2 3.61Å; H116-F119 WeakPolarHBondContact O-CD1 3.24Å; H116-F119 VanDerWaalsContact O-CD2 3.25Å; H116-F119 WeakPolarHBondContact O-CD2 3.46Å; H116-F119 WeakPolarHBondContact O-CG 3.41Å; H116-F119 PolarHBondContact O-N 2.94Å; F119-F469 HydrophobicContact CD1-CD2 4.08Å; F119-F469 HydrophobicContact CE1-CD2 4.26Å
120	L	67.6	Low	92.9	Very high	88 Å²	88	21.1 Å²	21.1	46%	0.461	12%	0.122	S	C	.	.	S	Bend	trans	-88.7	-14.7	-171	-60.6	175.5	0	0	0	115.9	Q88 F469	Q88-L120 HydrophobicContact CB-CD2 4.29Å; Q88-L120 HydrophobicContact CG-CD2 3.96Å; Q88-L120 VanDerWaalsContact NE2-CD2 3.26Å; L120-F469 HydrophobicContact CB-CE2 4.39Å
121	I	85.2	Confident	92.9	Very high	44 Å²	44	20.7 Å²	20.7	23%	0.226	12%	0.121	C	C	.	.	S	Bend	trans	-122.9	1.8	-158.4	65.9	174.7	0	0	0	116.4	F469 F472 L476	I121-F469 HydrophobicContact CB-CE2 4.5Å; I121-F469 HydrophobicContact CD1-CE2 3.92Å; I121-F469 HydrophobicContact CD1-CZ 4.27Å; I121-F469 HydrophobicContact CG1-CE2 4.06Å; I121-F469 HydrophobicContact CG2-CE2 3.73Å; I121-F469 HydrophobicContact CG2-CZ 3.59Å; I121-F472 HydrophobicContact CD1-CD1 3.8Å; I121-F472 HydrophobicContact CD1-CE1 4.18Å; I121-F472 HydrophobicContact CG1-CD1 4.16Å; I121-F472 HydrophobicContact CG1-CE1 4.11Å; I121-L476 HydrophobicContact CD1-CD1 4.15Å; I121-L476 HydrophobicContact CG1-CD1 4.25Å
122	A	96	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-153.5	159.8	-179.6	0	0	0	0	0	110.9	S87 V97 V124 L476	S87-A122 WeakPolarHBondContact CA-O 3.42Å; S87-A122 PolarHBondContact N-O 2.81Å; V97-A122 HydrophobicContact CG2-CB 3.88Å; A122-V124 HydrophobicContact CB-CG2 4.31Å; A122-V124 PolarHBondContact O-N 2.69Å; A122-L476 HydrophobicContact CB-CD1 4Å
123	N	98.4	Very high	93	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	112	166.9	-52.3	-65	0	0	0	108	F84 V85 E86 S87 P91 S94 P95 V96 V97	F84-N123 HydrophobicContact CE2-CB 3.59Å; F84-N123 HydrophobicContact CZ-CB 3.51Å; V85-N123 CarbonylContact O-C 3.49Å; V85-N123 WeakPolarHBondContact O-CA 3.49Å; E86-N123 WeakPolarHBondContact CA-OD1 3.17Å; S87-N123 PolarHBondContact N-OD1 3.29Å; P91-N123 WeakPolarHBondContact CA-OD1 3.39Å; P91-N123 VanDerWaalsContact CB-OD1 3.24Å; P91-N123 WeakPolarHBondContact CB-OD1 3.47Å; P91-N123 PolarHBondContact O-ND2 2.98Å; S94-N123 PolarHBondContact O-ND2 2.82Å; P95-N123 PolarHBondContact O-N 2.83Å; V96-N123 CarbonylContact C-O 3.53Å; V96-N123 WeakPolarHBondContact CA-O 3.38Å; V97-N123 PolarHBondContact N-O 3.48Å
124	V	98.6	Very high	93	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.9	-171.8	-168.6	0	0	0	0	110.6	F84 V85 V97 W99 A122 Y126	F84-V124 WeakPolarHBondContact CA-O 3.13Å; F84-V124 WeakPolarHBondContact CD2-O 3.4Å; V85-V124 HydrophobicContact CG2-CB 3.94Å; V85-V124 PolarHBondContact N-O 3.01Å; V85-V124 PolarHBondContact O-N 2.8Å; V97-V124 CarbonylContact O-C 3.53Å; V97-V124 WeakPolarHBondContact O-CA 3.49Å; W99-V124 HydrophobicContact CB-CG1 4.22Å; A122-V124 HydrophobicContact CB-CG2 4.31Å; A122-V124 PolarHBondContact O-N 2.69Å; V124-Y126 HydrophobicContact CB-CD2 4.42Å; V124-Y126 HydrophobicContact CB-CE2 3.78Å; V124-Y126 HydrophobicContact CG1-CD2 3.97Å; V124-Y126 HydrophobicContact CG1-CE1 4.28Å; V124-Y126 HydrophobicContact CG1-CE2 3.46Å; V124-Y126 VanDerWaalsContact CG1-CE2 3.46Å
125	L	98.8	Very high	93.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	105.1	175.8	176.9	63.7	0	0	0	109.2	L72 Y82 F84 V97 L98 W99 L158 F161	L72-L125 HydrophobicContact CD1-CD2 4.39Å; Y82-L125 HydrophobicContact CD2-CD1 3.6Å; Y82-L125 HydrophobicContact CG-CD1 4.01Å; F84-L125 HydrophobicContact CB-CD1 4.04Å; F84-L125 HydrophobicContact CD2-CB 3.95Å; F84-L125 HydrophobicContact CD2-CD1 4.31Å; V97-L125 PolarHBondContact O-N 3.31Å; L98-L125 HydrophobicContact CD1-CB 4.45Å; L98-L125 HydrophobicContact CD1-CD2 3.95Å; L98-L125 HydrophobicContact CD1-CG 4.05Å; W99-L125 PolarHBondContact N-O 3.22Å; L125-L158 HydrophobicContact CD2-CD1 4.33Å; L125-F161 HydrophobicContact CD1-CD2 4.03Å; L125-F161 HydrophobicContact CD1-CE2 4.11Å; L125-F161 HydrophobicContact CD2-CB 4.36Å; L125-F161 HydrophobicContact CD2-CD1 4.26Å; L125-F161 HydrophobicContact CD2-CD2 3.85Å; L125-F161 HydrophobicContact CD2-CE2 4.22Å; L125-F161 HydrophobicContact CD2-CG 3.88Å
126	Y	98.9	Very high	93.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.2	170.8	-60.3	-97.1	0	0	0	108.2	Y82 W83 V85 W99 S108 L112 H116 G117 V124	Y82-Y126 WeakPolarHBondContact CA-O 3.49Å; W83-Y126 PolarHBondContact N-O 3.46Å; W83-Y126 WeakPolarHBondContact O-CD2 3.42Å; W83-Y126 PolarHBondContact O-N 3.06Å; V85-Y126 HydrophobicContact CG2-CE2 3.87Å; W99-Y126 HydrophobicContact CB-CD1 3.99Å; W99-Y126 HydrophobicContact CB-CE1 4.21Å; W99-Y126 AromaticContact CD1-CD1 3.57Å; W99-Y126 AromaticContact CD1-CE1 3.88Å; W99-Y126 AromaticContact CG-CD1 3.99Å; W99-Y126 HydrophobicContact CG-CD1 3.99Å; W99-Y126 HydrophobicContact CG-CE1 4.07Å; S108-Y126 VanDerWaalsContact O-CD1 3.31Å; S108-Y126 WeakPolarHBondContact O-CD1 3.34Å; L112-Y126 VanDerWaalsContact CA-CE1 3.47Å; L112-Y126 HydrophobicContact CB-CD1 3.71Å; L112-Y126 HydrophobicContact CB-CD2 4.15Å; L112-Y126 HydrophobicContact CB-CE1 3.73Å; L112-Y126 HydrophobicContact CB-CE2 4.18Å; L112-Y126 HydrophobicContact CB-CG 3.91Å; L112-Y126 HydrophobicContact CD1-CD2 3.63Å; L112-Y126 HydrophobicContact CD1-CE2 3.93Å; L112-Y126 HydrophobicContact CD1-CG 4.01Å; L112-Y126 HydrophobicContact CG-CD2 4.1Å; L112-Y126 HydrophobicContact CG-CE1 4.41Å; L112-Y126 HydrophobicContact CG-CE2 3.99Å; L112-Y126 HydrophobicContact CG-CG 4.36Å; L112-Y126 VanDerWaalsContact N-CE1 3.32Å; H116-Y126 AromaticContact CE1-CE1 3.28Å; H116-Y126 WeakPolarHBondContact CE1-CE1 3.27Å; H116-Y126 AromaticContact CE1-CZ 3.61Å; H116-Y126 PolarHBondContact CE1-OH 2.67Å; H116-Y126 VanDerWaalsContact CE1-OH 3.23Å; H116-Y126 AromaticContact ND1-CE1 3.56Å; H116-Y126 AromaticContact ND1-CZ 3.6Å; H116-Y126 PolarHBondContact ND1-OH 3.16Å; G117-Y126 WeakPolarHBondContact CA-OH 3.39Å; G117-Y126 PolarHBondContact N-OH 2.87Å; V124-Y126 HydrophobicContact CB-CD2 4.42Å; V124-Y126 HydrophobicContact CB-CE2 3.78Å; V124-Y126 HydrophobicContact CG1-CD2 3.97Å; V124-Y126 HydrophobicContact CG1-CE1 4.28Å; V124-Y126 HydrophobicContact CG1-CE2 3.46Å; V124-Y126 VanDerWaalsContact CG1-CE2 3.46Å
127	L	98.9	Very high	93.4	Very high	2 Å²	2	16 Å²	16	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.5	-175.7	-177.7	64.6	0	0	0	110.3	L72 L80 L98 W99 L100 S108 S129 A157	L72-L127 HydrophobicContact CD1-CD1 3.88Å; L80-L127 HydrophobicContact CB-CD1 3.72Å; L80-L127 HydrophobicContact CB-CG 4.47Å; L80-L127 HydrophobicContact CD1-CD1 4.48Å; L80-L127 HydrophobicContact CD1-CD2 4.27Å; L98-L127 HydrophobicContact CD1-CB 3.77Å; L98-L127 HydrophobicContact CD1-CD2 4.19Å; W99-L127 PolarHBondContact O-N 3.08Å; L100-L127 HydrophobicContact CD2-CB 3.84Å; L100-L127 HydrophobicContact CD2-CD2 4.33Å; L100-L127 HydrophobicContact CD2-CG 4.37Å; L100-L127 WeakPolarHBondContact CD2-O 3.5Å; S108-L127 WeakPolarHBondContact CB-O 3.34Å; S108-L127 PolarHBondContact OG-O 2.99Å; L127-S129 PolarHBondContact O-N 3.36Å; L127-A157 HydrophobicContact CD2-CB 4.32Å
128	E	98.9	Very high	93.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.			trans	-73.9	107.3	174.2	-60.7	-164.1	115.4	0	0	109.5	H81 S107 L109 G134 F135 S136 W360	H81-E128 HydrophobicContact CB-CB 4.31Å; H81-E128 HydrophobicContact CB-CG 4.48Å; H81-E128 IonicContact CG-OE2 2.87Å; H81-E128 IonicContact ND1-OE2 3.77Å; H81-E128 PolarHBondContact ND1-OE2 2.81Å; H81-E128 VanDerWaalsContact ND1-OE2 3.12Å; H81-E128 PolarHBondContact O-N 3.49Å; S107-E128 WeakPolarHBondContact CB-OE1 3.33Å; S107-E128 PolarHBondContact OG-OE1 2.94Å; L109-E128 HydrophobicContact CD1-CG 4.42Å; L109-E128 HydrophobicContact CG-CG 3.89Å; E128-G134 WeakPolarHBondContact OE1-CA 3.46Å; E128-F135 WeakPolarHBondContact OE2-CB 3.46Å; E128-F135 PolarHBondContact OE2-N 2.76Å; E128-S136 WeakPolarHBondContact CB-OG 3.38Å; E128-S136 WeakPolarHBondContact O-CB 3.38Å; E128-S136 PolarHBondContact O-OG 3.2Å; E128-W360 PolarHBondContact OE1-NE1 2.97Å
129	S	98.9	Very high	94.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.014	9%	0.09	C	C	.	.			trans	-138.7	142.5	-173.9	147.1	0	0	0	0	110.7	L127 N154	L127-S129 PolarHBondContact O-N 3.36Å; S129-N154 WeakPolarHBondContact CB-OD1 3.32Å; S129-N154 PolarHBondContact OG-ND2 3.44Å; S129-N154 PolarHBondContact OG-OD1 2.74Å
130	P	98.8	Very high	96.4	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.039	11%	0.105	C	C	.	.	S	Bend	cis	-83.6	-172.5	1.1	33.6	-38.8	0	0	0	114.1	G132 V133 T145 V150 V367	P130-G132 PolarHBondContact O-N 3.25Å; P130-V133 HydrophobicContact CG-CG2 4.26Å; P130-V133 VanDerWaalsContact O-CB 3.27Å; P130-V133 WeakPolarHBondContact O-CB 3.48Å; P130-V133 VanDerWaalsContact O-CG2 3.32Å; P130-V133 WeakPolarHBondContact O-CG2 3.46Å; P130-V133 PolarHBondContact O-N 2.97Å; P130-V133 VanDerWaalsContact O-N 3.12Å; P130-T145 HydrophobicContact CB-CG2 4.21Å; P130-T145 HydrophobicContact CG-CG2 3.9Å; P130-V150 HydrophobicContact CB-CG1 4.41Å; P130-V150 HydrophobicContact CB-CG2 3.74Å; P130-V150 HydrophobicContact CG-CG2 4.09Å; P130-V367 HydrophobicContact CG-CG1 3.77Å
131	A	98.9	Very high	97.8	Very high	7 Å²	7	22.2 Å²	22.2	6%	0.058	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	137.5	172.6	0	0	0	0	0	111.7	K78 L80 Y143	K78-A131 HydrophobicContact CB-CB 4.1Å; K78-A131 HydrophobicContact CD-CB 4.21Å; K78-A131 HydrophobicContact CG-CB 3.84Å; L80-A131 HydrophobicContact CD2-CB 4.16Å; A131-Y143 HydrophobicContact CB-CD1 4.49Å
132	G	98.6	Very high	98.4	Very high	7 Å²	7	27.8 Å²	27.8	7%	0.072	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	-14.3	-172.4	0	0	0	0	0	114.2	P130 S136 N364	P130-G132 PolarHBondContact O-N 3.25Å; G132-S136 CarbonylContact C-O 3.54Å; G132-S136 WeakPolarHBondContact CA-O 3.47Å; G132-S136 PolarHBondContact N-O 3.45Å; G132-N364 PolarHBondContact O-ND2 3.31Å
133	V	98.8	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-82.6	129.8	175.2	177.5	0	0	0	0	110.8	C106 P130 F135 S136 V367	C106-V133 VanDerWaalsContact C-CG1 3.43Å; P130-V133 HydrophobicContact CG-CG2 4.26Å; P130-V133 VanDerWaalsContact O-CB 3.27Å; P130-V133 WeakPolarHBondContact O-CB 3.48Å; P130-V133 VanDerWaalsContact O-CG2 3.32Å; P130-V133 WeakPolarHBondContact O-CG2 3.46Å; P130-V133 PolarHBondContact O-N 2.97Å; P130-V133 VanDerWaalsContact O-N 3.12Å; V133-F135 PolarHBondContact O-N 2.89Å; V133-S136 VanDerWaalsContact O-CB 3.24Å; V133-S136 WeakPolarHBondContact O-CB 3.29Å; V133-S136 PolarHBondContact O-N 3.44Å; V133-V367 HydrophobicContact CG2-CG1 4.17Å; V133-V367 HydrophobicContact CG2-CG2 4.3Å
134	G	98.7	Very high	98.6	Very high	10 Å²	10	32.4 Å²	32.4	10%	0.103	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-118.6	178.4	0	0	0	0	0	111.9	E128	E128-G134 WeakPolarHBondContact OE1-CA 3.46Å
135	F	98.9	Very high	98.6	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.1	174.9	-61.4	-57.1	0	0	0	114.3	Y71 H81 L109 E128 V133 L342 R348 I353 L357 W360	Y71-F135 VanDerWaalsContact CE1-O 3.26Å; Y71-F135 WeakPolarHBondContact CE1-O 3.4Å; Y71-F135 PolarHBondContact OH-O 2.87Å; Y71-F135 VanDerWaalsContact OH-O 3.07Å; H81-F135 HydrophobicContact CB-CB 3.81Å; L109-F135 HydrophobicContact CD1-CD2 4.23Å; L109-F135 HydrophobicContact CD1-CE2 4.29Å; E128-F135 WeakPolarHBondContact OE2-CB 3.46Å; E128-F135 PolarHBondContact OE2-N 2.76Å; V133-F135 PolarHBondContact O-N 2.89Å; F135-L342 HydrophobicContact CE2-CB 4.27Å; F135-L342 HydrophobicContact CE2-CD2 4.26Å; F135-L342 HydrophobicContact CZ-CB 4.1Å; F135-L342 WeakPolarHBondContact CZ-O 3.35Å; F135-R348 HydrophobicContact CE1-CG 4.2Å; F135-R348 HydrophobicContact CZ-CG 4.1Å; F135-I353 HydrophobicContact CB-CD1 3.9Å; F135-I353 HydrophobicContact CB-CG2 4.42Å; F135-I353 HydrophobicContact CD1-CD1 4.24Å; F135-I353 HydrophobicContact CD1-CG1 4.21Å; F135-I353 HydrophobicContact CD1-CG2 3.55Å; F135-I353 HydrophobicContact CD2-CD1 3.55Å; F135-I353 HydrophobicContact CD2-CG1 4.03Å; F135-I353 HydrophobicContact CE1-CG1 4.24Å; F135-I353 HydrophobicContact CE1-CG2 3.88Å; F135-I353 HydrophobicContact CE2-CD1 4.05Å; F135-I353 HydrophobicContact CE2-CG1 4.07Å; F135-I353 HydrophobicContact CG-CD1 3.65Å; F135-I353 HydrophobicContact CG-CG1 4.09Å; F135-I353 HydrophobicContact CG-CG2 4.03Å; F135-I353 HydrophobicContact CZ-CG1 4.17Å; F135-L357 VanDerWaalsContact O-CD1 3.29Å; F135-L357 WeakPolarHBondContact O-CD1 3.45Å; F135-W360 HydrophobicContact CD1-CB 4.21Å; F135-W360 AromaticContact CD2-CD1 3.66Å; F135-W360 HydrophobicContact CE1-CB 3.58Å; F135-W360 HydrophobicContact CE1-CG 4.23Å; F135-W360 HydrophobicContact CE2-CB 4.29Å; F135-W360 AromaticContact CE2-CD1 3.6Å; F135-W360 HydrophobicContact CE2-CG 4.14Å; F135-W360 AromaticContact CG-CD1 3.95Å; F135-W360 HydrophobicContact CZ-CB 3.62Å; F135-W360 AromaticContact CZ-CD1 3.83Å; F135-W360 AromaticContact CZ-CG 3.97Å; F135-W360 HydrophobicContact CZ-CG 3.97Å
136	S	98.9	Very high	98.6	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	18%	0.18	C	C	.	.			trans	-69.9	144.5	173.5	-63.4	0	0	0	0	111.5	H79 L80 H81 E128 G132 V133	H79-S136 WeakPolarHBondContact O-CA 3.46Å; L80-S136 WeakPolarHBondContact CA-OG 3.49Å; H81-S136 PolarHBondContact N-OG 3.08Å; E128-S136 WeakPolarHBondContact CB-OG 3.38Å; E128-S136 WeakPolarHBondContact O-CB 3.38Å; E128-S136 PolarHBondContact O-OG 3.2Å; G132-S136 CarbonylContact C-O 3.54Å; G132-S136 WeakPolarHBondContact CA-O 3.47Å; G132-S136 PolarHBondContact N-O 3.45Å; V133-S136 VanDerWaalsContact O-CB 3.24Å; V133-S136 WeakPolarHBondContact O-CB 3.29Å; V133-S136 PolarHBondContact O-N 3.44Å
137	Y	98.8	Very high	98.6	Very high	42 Å²	42	34.7 Å²	34.7	17%	0.165	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	175	-176.6	71.2	-80.4	0	0	0	112.3	Y71 H79 L357	Y71-Y137 HydrophobicContact CD1-CD1 4.24Å; Y71-Y137 AromaticContact CD1-CE1 3.83Å; Y71-Y137 HydrophobicContact CD1-CE1 3.83Å; Y71-Y137 AromaticContact CE1-CD1 3.7Å; Y71-Y137 HydrophobicContact CE1-CD1 3.7Å; Y71-Y137 AromaticContact CE1-CE1 3.53Å; Y71-Y137 HydrophobicContact CE1-CE1 3.53Å; Y71-Y137 HydrophobicContact CG-CE1 4.49Å; H79-Y137 HydrophobicContact CB-CD1 3.94Å; H79-Y137 HydrophobicContact CB-CE1 3.58Å; H79-Y137 HydrophobicContact CB-CE2 4.27Å; H79-Y137 HydrophobicContact CB-CG 4.43Å; H79-Y137 AromaticContact CD2-CE2 3.61Å; H79-Y137 AromaticContact CD2-CZ 3.74Å; H79-Y137 AromaticContact CG-CZ 3.76Å; H79-Y137 PolarHBondContact N-O 3.48Å; H79-Y137 PolarHBondContact O-N 2.92Å; Y137-L357 HydrophobicContact CD1-CD1 3.75Å; Y137-L357 HydrophobicContact CD1-CD2 3.61Å; Y137-L357 HydrophobicContact CD1-CG 4.32Å; Y137-L357 HydrophobicContact CD2-CD2 4.07Å; Y137-L357 HydrophobicContact CE1-CD1 4.08Å; Y137-L357 HydrophobicContact CE1-CD2 4.14Å; Y137-L357 HydrophobicContact CG-CD2 3.56Å
138	S	98.6	Very high	98.6	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152	165.5	65.8	0	0	0	0	110	S77 D140 K141 F142 Y143	S77-S138 WeakPolarHBondContact O-CA 3.43Å; S77-S138 WeakPolarHBondContact O-CB 3.48Å; S138-D140 WeakPolarHBondContact CB-OD1 3.48Å; S138-D140 PolarHBondContact O-N 3.2Å; S138-D140 PolarHBondContact OG-OD1 3.4Å; S138-K141 PolarHBondContact O-N 2.98Å; S138-K141 VanDerWaalsContact O-N 3.11Å; S138-K141 WeakPolarHBondContact OG-CA 3.19Å; S138-K141 PolarHBondContact OG-N 3.28Å; S138-K141 VanDerWaalsContact OG-N 3.16Å; S138-F142 PolarHBondContact OG-N 2.97Å; S138-Y143 WeakPolarHBondContact OG-CE1 3.4Å
139	D	98.3	Very high	98.6	Very high	108 Å²	108	40.7 Å²	40.7	58%	0.578	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.5	-178.7	-62.8	-40.1	0	0	0	112.5	S77 H79	S77-D139 PolarHBondContact O-N 2.84Å; S77-D139 VanDerWaalsContact O-N 3.15Å; H79-D139 IonicContact CD2-OD1 3.55Å; H79-D139 IonicContact NE2-OD1 2.66Å; H79-D139 IonicContact NE2-OD2 2.73Å
140	D	97.5	Very high	98.6	Very high	80 Å²	80	40.6 Å²	40.6	43%	0.428	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.6	-179.5	62.3	10.4	0	0	0	113.8	S77 S138 F142	S77-D140 PolarHBondContact OG-OD2 2.83Å; S138-D140 WeakPolarHBondContact CB-OD1 3.48Å; S138-D140 PolarHBondContact O-N 3.2Å; S138-D140 PolarHBondContact OG-OD1 3.4Å; D140-F142 HydrophobicContact CB-CD2 3.59Å; D140-F142 HydrophobicContact CB-CE2 4.01Å; D140-F142 PolarHBondContact O-N 3.26Å; D140-F142 PolarHBondContact OD1-N 3.38Å
141	K	97.5	Very high	98.6	Very high	149 Å²	149	40.6 Å²	40.6	65%	0.648	21%	0.213	S	C	*	.			trans	56.6	25.2	-177.7	-52.8	177.1	-175.3	178.7	0	114.1	S138 Y143	S138-K141 PolarHBondContact O-N 2.98Å; S138-K141 VanDerWaalsContact O-N 3.11Å; S138-K141 WeakPolarHBondContact OG-CA 3.19Å; S138-K141 PolarHBondContact OG-N 3.28Å; S138-K141 VanDerWaalsContact OG-N 3.16Å; K141-Y143 HydrophobicContact CB-CE2 4.41Å
142	F	97.8	Very high	98.6	Very high	161 Å²	161	43.6 Å²	43.6	71%	0.706	23%	0.226	S	C	*	.			trans	-89.8	108.7	172.6	-67.3	-61.4	0	0	0	110.5	S138 D140	S138-F142 PolarHBondContact OG-N 2.97Å; D140-F142 HydrophobicContact CB-CD2 3.59Å; D140-F142 HydrophobicContact CB-CE2 4.01Å; D140-F142 PolarHBondContact O-N 3.26Å; D140-F142 PolarHBondContact OD1-N 3.38Å
143	Y	98.3	Very high	98.6	Very high	38 Å²	38	43.4 Å²	43.4	15%	0.149	22%	0.223	C	C	.	.			trans	-107	2.1	-172.3	-52.3	-44.6	0	0	0	115	A131 S138 K141 T145	A131-Y143 HydrophobicContact CB-CD1 4.49Å; S138-Y143 WeakPolarHBondContact OG-CE1 3.4Å; K141-Y143 HydrophobicContact CB-CE2 4.41Å; Y143-T145 PolarHBondContact O-N 3.12Å
144	A	98.5	Very high	98.6	Very high	60 Å²	60	43.5 Å²	43.5	50%	0.496	22%	0.224	S	C	.	.			trans	-66.9	122	173	0	0	0	0	0	109.7	Q370	A144-Q370 HydrophobicContact CB-CB 3.89Å
145	T	98.8	Very high	98.6	Very high	13 Å²	13	44 Å²	44	8%	0.08	22%	0.223	C	C	.	.			trans	-148.8	-175.9	-173.2	-166	0	0	0	0	112.5	P130 Y143 E149 V150 Y371 R372	P130-T145 HydrophobicContact CB-CG2 4.21Å; P130-T145 HydrophobicContact CG-CG2 3.9Å; Y143-T145 PolarHBondContact O-N 3.12Å; T145-E149 WeakPolarHBondContact CA-OE2 3.3Å; T145-E149 WeakPolarHBondContact CB-OE2 3.14Å; T145-E149 VanDerWaalsContact OG1-CD 3.3Å; T145-E149 PolarHBondContact OG1-OE2 2.97Å; T145-V150 HydrophobicContact CG2-CG2 3.71Å; T145-Y371 HydrophobicContact CG2-CD2 3.75Å; T145-Y371 HydrophobicContact CG2-CE2 3.76Å; T145-R372 PolarHBondContact O-N 3.49Å
146	N	98.8	Very high	98.6	Very high	36 Å²	36	46.7 Å²	46.7	19%	0.193	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-155	169.7	-176.1	66.1	71.8	0	0	0	112.4	T148 E149 V150 R372 L374	N146-T148 VanDerWaalsContact C-N 3.3Å; N146-T148 PolarHBondContact O-N 2.8Å; N146-T148 PolarHBondContact OD1-N 3.07Å; N146-T148 PolarHBondContact OD1-OG1 2.85Å; N146-E149 PolarHBondContact O-N 2.99Å; N146-E149 VanDerWaalsContact O-N 3.15Å; N146-E149 PolarHBondContact OD1-N 3.29Å; N146-E149 VanDerWaalsContact OD1-N 3.07Å; N146-V150 WeakPolarHBondContact O-CG2 3.2Å; N146-V150 PolarHBondContact O-N 2.95Å; N146-R372 VanDerWaalsContact CA-O 3.3Å; N146-R372 WeakPolarHBondContact CA-O 3.34Å; N146-R372 HydrophobicContact CB-CB 3.99Å; N146-R372 VanDerWaalsContact CB-O 3.22Å; N146-R372 WeakPolarHBondContact CB-O 3.37Å; N146-L374 HydrophobicContact CB-CD1 3.9Å; N146-L374 HydrophobicContact CB-CG 4.12Å; N146-L374 WeakPolarHBondContact OD1-CD1 3.45Å
147	D	98.9	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-53.7	-41.2	-174.8	-57.4	-34.9	0	0	0	114.3	A151 Y180 I183 Y371 L374 Y375	D147-A151 WeakPolarHBondContact O-CB 3.42Å; D147-A151 PolarHBondContact O-N 2.89Å; D147-Y180 PolarHBondContact OD1-OH 3.34Å; D147-I183 HydrophobicContact CB-CG2 4.28Å; D147-Y371 VanDerWaalsContact CA-OH 3.29Å; D147-Y371 WeakPolarHBondContact CA-OH 3.32Å; D147-Y371 PolarHBondContact N-OH 3.43Å; D147-Y371 WeakPolarHBondContact OD1-CE1 3.45Å; D147-Y371 PolarHBondContact OD1-OH 3.32Å; D147-L374 HydrophobicContact CB-CB 4.42Å; D147-L374 PolarHBondContact OD2-N 2.86Å; D147-Y375 HydrophobicContact CB-CD2 3.59Å; D147-Y375 HydrophobicContact CB-CE2 3.75Å; D147-Y375 PolarHBondContact OD2-N 2.69Å
148	T	98.8	Very high	98.6	Very high	67 Å²	67	44.6 Å²	44.6	41%	0.411	23%	0.227	S	C	.	.	H	α-helix	trans	-71.5	-40.3	-178.6	52.3	0	0	0	0	112.6	N146 Q152 L374 Y375	N146-T148 VanDerWaalsContact C-N 3.3Å; N146-T148 PolarHBondContact O-N 2.8Å; N146-T148 PolarHBondContact OD1-N 3.07Å; N146-T148 PolarHBondContact OD1-OG1 2.85Å; T148-Q152 WeakPolarHBondContact O-CB 3.48Å; T148-Q152 PolarHBondContact O-N 2.92Å; T148-Q152 VanDerWaalsContact O-N 3.12Å; T148-L374 HydrophobicContact CG2-CD1 4Å; T148-Y375 HydrophobicContact CG2-CE2 4.11Å; T148-Y375 WeakPolarHBondContact CG2-OH 3.49Å
149	E	98.9	Very high	98.6	Very high	60 Å²	60	48.3 Å²	48.3	28%	0.28	24%	0.244	S	C	.	.	H	α-helix	trans	-68.8	-40.4	178.1	-179.3	179.9	-155.4	0	0	111.5	K78 T145 N146 Q152 S153	K78-E149 VanDerWaalsContact CE-OE1 3.27Å; K78-E149 WeakPolarHBondContact CE-OE1 3.17Å; K78-E149 IonicContact NZ-OE1 3.62Å; K78-E149 PolarHBondContact NZ-OE1 3.4Å; T145-E149 WeakPolarHBondContact CA-OE2 3.3Å; T145-E149 WeakPolarHBondContact CB-OE2 3.14Å; T145-E149 VanDerWaalsContact OG1-CD 3.3Å; T145-E149 PolarHBondContact OG1-OE2 2.97Å; N146-E149 PolarHBondContact O-N 2.99Å; N146-E149 VanDerWaalsContact O-N 3.15Å; N146-E149 PolarHBondContact OD1-N 3.29Å; N146-E149 VanDerWaalsContact OD1-N 3.07Å; E149-Q152 PolarHBondContact O-N 2.86Å; E149-S153 WeakPolarHBondContact O-CB 3.42Å; E149-S153 PolarHBondContact O-N 3.43Å
150	V	98.9	Very high	98.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-45.8	176.7	175.2	0	0	0	0	111.2	P130 T145 N146 Q152 S153 N154 Y184 Y371	P130-V150 HydrophobicContact CB-CG1 4.41Å; P130-V150 HydrophobicContact CB-CG2 3.74Å; P130-V150 HydrophobicContact CG-CG2 4.09Å; T145-V150 HydrophobicContact CG2-CG2 3.71Å; N146-V150 WeakPolarHBondContact O-CG2 3.2Å; N146-V150 PolarHBondContact O-N 2.95Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 3.13Å; V150-S153 PolarHBondContact O-N 3.47Å; V150-N154 WeakPolarHBondContact O-CB 3.21Å; V150-N154 VanDerWaalsContact O-CG 3.27Å; V150-N154 PolarHBondContact O-N 3.35Å; V150-N154 PolarHBondContact O-OD1 2.93Å; V150-Y184 HydrophobicContact CG1-CD1 3.93Å; V150-Y184 HydrophobicContact CG1-CE1 3.86Å; V150-Y371 HydrophobicContact CG2-CE2 3.85Å
151	A	98.9	Very high	98.7	Very high	6 Å²	6	40.4 Å²	40.4	5%	0.05	20%	0.202	C	C	.	.	H	α-helix	trans	-57.7	-45.4	176.6	0	0	0	0	0	111.6	D147 N154 F155 L191	D147-A151 WeakPolarHBondContact O-CB 3.42Å; D147-A151 PolarHBondContact O-N 2.89Å; A151-N154 PolarHBondContact O-N 3.43Å; A151-F155 WeakPolarHBondContact O-CB 3.18Å; A151-F155 PolarHBondContact O-N 3.14Å; A151-L191 HydrophobicContact CB-CD1 4.06Å; A151-L191 WeakPolarHBondContact O-CD1 3.24Å
152	Q	98.9	Very high	98.8	Very high	70 Å²	70	33.8 Å²	33.8	33%	0.327	17%	0.173	S	C	.	.	H	α-helix	trans	-66	-43.5	178	-176.2	59.3	41.3	0	0	112.3	T148 E149 V150 N154 F155 E156 L191	T148-Q152 WeakPolarHBondContact O-CB 3.48Å; T148-Q152 PolarHBondContact O-N 2.92Å; T148-Q152 VanDerWaalsContact O-N 3.12Å; E149-Q152 PolarHBondContact O-N 2.86Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 3.13Å; Q152-N154 VanDerWaalsContact C-N 3.32Å; Q152-N154 PolarHBondContact O-N 2.79Å; Q152-F155 WeakPolarHBondContact O-CB 3.48Å; Q152-F155 PolarHBondContact O-N 3.47Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.34Å; Q152-E156 PolarHBondContact NE2-OE1 3.18Å; Q152-E156 PolarHBondContact O-N 2.72Å; Q152-L191 HydrophobicContact CB-CD1 4.49Å
153	S	98.9	Very high	98.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-63.7	-37.6	177.5	-170.6	0	0	0	0	112.2	G74 S75 K78 E149 V150 A157	G74-S153 WeakPolarHBondContact CA-OG 3.36Å; S75-S153 PolarHBondContact N-OG 3.22Å; K78-S153 WeakPolarHBondContact CD-OG 3.48Å; E149-S153 WeakPolarHBondContact O-CB 3.42Å; E149-S153 PolarHBondContact O-N 3.43Å; V150-S153 PolarHBondContact O-N 3.47Å; S153-A157 WeakPolarHBondContact O-CB 3.39Å; S153-A157 PolarHBondContact O-N 2.74Å
154	N	98.9	Very high	98.8	Very high	2 Å²	2	33 Å²	33	1%	0.011	17%	0.167	C	C	.	.	H	α-helix	trans	-71.7	-35.2	176.8	-70.6	1.2	0	0	0	111.6	S129 V150 A151 Q152 A157 L158 L188	S129-N154 WeakPolarHBondContact CB-OD1 3.32Å; S129-N154 PolarHBondContact OG-ND2 3.44Å; S129-N154 PolarHBondContact OG-OD1 2.74Å; V150-N154 WeakPolarHBondContact O-CB 3.21Å; V150-N154 VanDerWaalsContact O-CG 3.27Å; V150-N154 PolarHBondContact O-N 3.35Å; V150-N154 PolarHBondContact O-OD1 2.93Å; A151-N154 PolarHBondContact O-N 3.43Å; Q152-N154 VanDerWaalsContact C-N 3.32Å; Q152-N154 PolarHBondContact O-N 2.79Å; N154-A157 PolarHBondContact O-N 2.58Å; N154-L158 WeakPolarHBondContact O-CB 3.37Å; N154-L158 PolarHBondContact O-N 3.12Å; N154-L188 HydrophobicContact CB-CD1 4.1Å; N154-L188 HydrophobicContact CB-CD2 4.18Å
155	F	98.9	Very high	98.7	Very high	22 Å²	22	30.1 Å²	30.1	10%	0.096	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-47.6	173.1	175.2	-106	0	0	0	111.5	A151 Q152 L158 Q159 L188 L191 V192 D195 M198	A151-F155 WeakPolarHBondContact O-CB 3.18Å; A151-F155 PolarHBondContact O-N 3.14Å; Q152-F155 WeakPolarHBondContact O-CB 3.48Å; Q152-F155 PolarHBondContact O-N 3.47Å; F155-L158 PolarHBondContact O-N 2.46Å; F155-Q159 HydrophobicContact CE1-CG 4.28Å; F155-Q159 HydrophobicContact CE2-CG 4.48Å; F155-Q159 HydrophobicContact CZ-CG 4.17Å; F155-Q159 WeakPolarHBondContact O-CG 3.48Å; F155-Q159 PolarHBondContact O-N 2.92Å; F155-L188 HydrophobicContact CB-CD1 3.79Å; F155-L191 HydrophobicContact CB-CB 4.2Å; F155-L191 HydrophobicContact CB-CD1 3.85Å; F155-L191 HydrophobicContact CD2-CB 3.88Å; F155-L191 HydrophobicContact CE2-CB 4.46Å; F155-L191 HydrophobicContact CG-CB 3.97Å; F155-L191 HydrophobicContact CG-CD1 4.31Å; F155-V192 HydrophobicContact CD2-CG2 3.95Å; F155-V192 HydrophobicContact CE2-CG2 4.42Å; F155-D195 HydrophobicContact CE2-CB 3.94Å; F155-D195 HydrophobicContact CZ-CB 3.97Å; F155-M198 HydrophobicContact CD2-CE 4.31Å; F155-M198 HydrophobicContact CE2-CE 3.92Å; F155-M198 HydrophobicContact CE2-SD 4.26Å
156	E	98.9	Very high	98.7	Very high	58 Å²	58	31.2 Å²	31.2	27%	0.271	15%	0.151	S	C	.	.	H	α-helix	trans	-63.5	-41.3	176.1	-72.5	173.3	-142.9	0	0	112.1	K73 S75 Q152 L158 Q159 D160	K73-E156 CarbonylContact O-C 3.48Å; S75-E156 WeakPolarHBondContact CA-OE2 3.41Å; S75-E156 WeakPolarHBondContact CB-OE2 3.38Å; S75-E156 PolarHBondContact N-OE2 2.82Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.34Å; Q152-E156 PolarHBondContact NE2-OE1 3.18Å; Q152-E156 PolarHBondContact O-N 2.72Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 2.9Å; E156-Q159 WeakPolarHBondContact O-CB 3.34Å; E156-Q159 PolarHBondContact O-N 2.89Å; E156-D160 PolarHBondContact O-N 2.9Å
157	A	98.9	Very high	98.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-38.8	173.8	0	0	0	0	0	112	L72 K73 L80 L127 S153 N154 D160 F161	L72-A157 HydrophobicContact CB-CB 3.79Å; L72-A157 HydrophobicContact CD1-CB 4.32Å; L72-A157 WeakPolarHBondContact CD1-O 3.33Å; K73-A157 WeakPolarHBondContact O-CA 3.24Å; K73-A157 PolarHBondContact O-N 3.48Å; L80-A157 HydrophobicContact CD1-CB 3.81Å; L127-A157 HydrophobicContact CD2-CB 4.32Å; S153-A157 WeakPolarHBondContact O-CB 3.39Å; S153-A157 PolarHBondContact O-N 2.74Å; N154-A157 PolarHBondContact O-N 2.58Å; A157-D160 CarbonylContact O-C 3.53Å; A157-D160 WeakPolarHBondContact O-CB 3.29Å; A157-D160 PolarHBondContact O-N 2.86Å; A157-F161 PolarHBondContact O-N 3.03Å
158	L	98.9	Very high	98.6	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-69.1	-35	176.3	-171.5	63.3	0	0	0	112.2	L125 N154 F155 E156 D160 F161 F162 L173 L175 V192 M198	L125-L158 HydrophobicContact CD2-CD1 4.33Å; N154-L158 WeakPolarHBondContact O-CB 3.37Å; N154-L158 PolarHBondContact O-N 3.12Å; F155-L158 PolarHBondContact O-N 2.46Å; E156-L158 VanDerWaalsContact C-N 3.3Å; E156-L158 PolarHBondContact O-N 2.9Å; L158-D160 VanDerWaalsContact C-N 3.31Å; L158-F161 HydrophobicContact CD1-CD1 4.3Å; L158-F161 WeakPolarHBondContact O-CB 3.27Å; L158-F161 PolarHBondContact O-N 2.87Å; L158-F162 HydrophobicContact CD1-CD2 4.39Å; L158-F162 HydrophobicContact CD1-CE2 3.83Å; L158-F162 HydrophobicContact CD1-CZ 4.42Å; L158-F162 HydrophobicContact CD2-CE2 4.39Å; L158-F162 HydrophobicContact CG-CD2 4.19Å; L158-F162 HydrophobicContact CG-CE2 3.81Å; L158-F162 WeakPolarHBondContact O-CD2 3.41Å; L158-F162 PolarHBondContact O-N 3.18Å; L158-F162 VanDerWaalsContact O-N 3.11Å; L158-L173 HydrophobicContact CD2-CD2 3.96Å; L158-L175 HydrophobicContact CD2-CD2 4.2Å; L158-V192 HydrophobicContact CD2-CG2 3.92Å; L158-M198 HydrophobicContact CB-CE 4.24Å; L158-M198 HydrophobicContact CD2-CE 4.23Å; L158-M198 HydrophobicContact CD2-SD 3.65Å; L158-M198 HydrophobicContact CG-CE 4.03Å; L158-M198 HydrophobicContact CG-SD 4.01Å
159	Q	98.8	Very high	98.5	Very high	80 Å²	80	34.7 Å²	34.7	37%	0.374	16%	0.16	S	C	.	.	H	α-helix	trans	-61.7	-42.3	168.9	-69.6	-178.4	-45.2	0	0	111.1	F155 E156 F162 R163 D195 M198	F155-Q159 HydrophobicContact CE1-CG 4.28Å; F155-Q159 HydrophobicContact CE2-CG 4.48Å; F155-Q159 HydrophobicContact CZ-CG 4.17Å; F155-Q159 WeakPolarHBondContact O-CG 3.48Å; F155-Q159 PolarHBondContact O-N 2.92Å; E156-Q159 WeakPolarHBondContact O-CB 3.34Å; E156-Q159 PolarHBondContact O-N 2.89Å; Q159-F162 PolarHBondContact O-N 2.99Å; Q159-R163 PolarHBondContact O-N 3.12Å; Q159-D195 PolarHBondContact NE2-OD2 2.93Å; Q159-M198 HydrophobicContact CB-CE 4.23Å; Q159-M198 HydrophobicContact CG-CE 3.38Å
160	D	98.8	Very high	98.4	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-38.3	177.3	-158	43.9	0	0	0	112.1	K73 E156 A157 L158 F162 R163 L164	K73-D160 PolarHBondContact N-OD2 3.15Å; E156-D160 PolarHBondContact O-N 2.9Å; A157-D160 CarbonylContact O-C 3.53Å; A157-D160 WeakPolarHBondContact O-CB 3.29Å; A157-D160 PolarHBondContact O-N 2.86Å; L158-D160 VanDerWaalsContact C-N 3.31Å; D160-F162 PolarHBondContact O-N 3.48Å; D160-R163 WeakPolarHBondContact O-CA 3.44Å; D160-R163 WeakPolarHBondContact O-CB 3.18Å; D160-R163 PolarHBondContact O-N 3.47Å; D160-R163 VanDerWaalsContact O-N 3.09Å; D160-R163 IonicContact OD1-CZ 3.8Å; D160-R163 IonicContact OD1-NE 3.66Å; D160-R163 PolarHBondContact OD1-NE 3.47Å; D160-R163 IonicContact OD1-NH2 3.14Å; D160-R163 PolarHBondContact OD1-NH2 3.19Å; D160-R163 IonicContact OD2-NH2 2.69Å; D160-L164 WeakPolarHBondContact O-CG 3.24Å; D160-L164 PolarHBondContact O-N 2.63Å
161	F	98.8	Very high	98.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-57.2	-50.9	172.3	171.6	-99.5	0	0	0	111	L72 F84 V96 L125 A157 L158 R163 L164 F165 Y168	L72-F161 HydrophobicContact CD1-CB 3.81Å; L72-F161 HydrophobicContact CD2-CB 3.92Å; F84-F161 HydrophobicContact CB-CE2 4.5Å; F84-F161 HydrophobicContact CD1-CE2 4.25Å; F84-F161 AromaticContact CD2-CE2 3.91Å; F84-F161 HydrophobicContact CD2-CE2 3.91Å; F84-F161 HydrophobicContact CD2-CZ 4Å; F84-F161 HydrophobicContact CE1-CE2 4.45Å; F84-F161 HydrophobicContact CE1-CZ 4.33Å; F84-F161 HydrophobicContact CE2-CE2 4.09Å; F84-F161 AromaticContact CE2-CZ 3.7Å; F84-F161 HydrophobicContact CE2-CZ 3.7Å; F84-F161 AromaticContact CG-CE2 3.98Å; F84-F161 HydrophobicContact CG-CE2 3.98Å; F84-F161 HydrophobicContact CG-CZ 4.41Å; F84-F161 HydrophobicContact CZ-CE2 4.33Å; F84-F161 AromaticContact CZ-CZ 3.86Å; F84-F161 HydrophobicContact CZ-CZ 3.86Å; V96-F161 HydrophobicContact CG1-CE1 3.98Å; V96-F161 HydrophobicContact CG1-CZ 4.35Å; L125-F161 HydrophobicContact CD1-CD2 4.03Å; L125-F161 HydrophobicContact CD1-CE2 4.11Å; L125-F161 HydrophobicContact CD2-CB 4.36Å; L125-F161 HydrophobicContact CD2-CD1 4.26Å; L125-F161 HydrophobicContact CD2-CD2 3.85Å; L125-F161 HydrophobicContact CD2-CE2 4.22Å; L125-F161 HydrophobicContact CD2-CG 3.88Å; A157-F161 PolarHBondContact O-N 3.03Å; L158-F161 HydrophobicContact CD1-CD1 4.3Å; L158-F161 WeakPolarHBondContact O-CB 3.27Å; L158-F161 PolarHBondContact O-N 2.87Å; F161-R163 PolarHBondContact O-N 3.39Å; F161-L164 PolarHBondContact O-N 3.38Å; F161-L164 VanDerWaalsContact O-N 3.11Å; F161-F165 AromaticContact CD2-CD2 3.53Å; F161-F165 HydrophobicContact CD2-CD2 3.53Å; F161-F165 AromaticContact CD2-CE2 3.87Å; F161-F165 HydrophobicContact CD2-CE2 3.87Å; F161-F165 HydrophobicContact CD2-CG 4.42Å; F161-F165 HydrophobicContact CE2-CB 4.39Å; F161-F165 AromaticContact CE2-CD2 3.42Å; F161-F165 HydrophobicContact CE2-CD2 3.42Å; F161-F165 VanDerWaalsContact CE2-CD2 3.42Å; F161-F165 AromaticContact CE2-CE2 3.78Å; F161-F165 HydrophobicContact CE2-CE2 3.78Å; F161-F165 AromaticContact CE2-CG 3.94Å; F161-F165 HydrophobicContact CE2-CG 3.94Å; F161-F165 HydrophobicContact CG-CD2 4.35Å; F161-F165 HydrophobicContact CZ-CB 4.3Å; F161-F165 HydrophobicContact CZ-CD2 4.17Å; F161-F165 HydrophobicContact CZ-CG 4.28Å; F161-F165 WeakPolarHBondContact O-CD2 3.33Å; F161-F165 PolarHBondContact O-N 2.83Å; F161-Y168 HydrophobicContact CZ-CD2 4.31Å
162	F	98.6	Very high	98.4	Very high	11 Å²	11	43.7 Å²	43.7	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-69.7	-17.9	177.9	-71.4	-57.8	0	0	0	113.6	L158 Q159 D160 P166 K169 L173 M198	L158-F162 HydrophobicContact CD1-CD2 4.39Å; L158-F162 HydrophobicContact CD1-CE2 3.83Å; L158-F162 HydrophobicContact CD1-CZ 4.42Å; L158-F162 HydrophobicContact CD2-CE2 4.39Å; L158-F162 HydrophobicContact CG-CD2 4.19Å; L158-F162 HydrophobicContact CG-CE2 3.81Å; L158-F162 WeakPolarHBondContact O-CD2 3.41Å; L158-F162 PolarHBondContact O-N 3.18Å; L158-F162 VanDerWaalsContact O-N 3.11Å; Q159-F162 PolarHBondContact O-N 2.99Å; D160-F162 PolarHBondContact O-N 3.48Å; F162-P166 WeakPolarHBondContact O-CA 3.4Å; F162-K169 HydrophobicContact CB-CG 3.98Å; F162-K169 HydrophobicContact CD1-CG 4.16Å; F162-K169 HydrophobicContact CG-CG 4.35Å; F162-K169 WeakPolarHBondContact O-CE 3.32Å; F162-L173 HydrophobicContact CE2-CD2 4.16Å; F162-L173 HydrophobicContact CZ-CD1 4.23Å; F162-L173 HydrophobicContact CZ-CD2 4.21Å; F162-M198 HydrophobicContact CD2-CE 4.18Å; F162-M198 HydrophobicContact CD2-CG 4.17Å; F162-M198 HydrophobicContact CD2-SD 4.39Å; F162-M198 HydrophobicContact CE2-CE 4.47Å; F162-M198 HydrophobicContact CE2-CG 4Å; F162-M198 HydrophobicContact CE2-SD 4.13Å
163	R	98.1	Very high	98.4	Very high	152 Å²	152	40.4 Å²	40.4	57%	0.574	19%	0.189	S	C	*	.	H	α-helix	trans	-73.3	-42	168.6	-176.9	-172.3	65.1	79.8	2.1	111.2	Q159 D160 F161	Q159-R163 PolarHBondContact O-N 3.12Å; D160-R163 WeakPolarHBondContact O-CA 3.44Å; D160-R163 WeakPolarHBondContact O-CB 3.18Å; D160-R163 PolarHBondContact O-N 3.47Å; D160-R163 VanDerWaalsContact O-N 3.09Å; D160-R163 IonicContact OD1-CZ 3.8Å; D160-R163 IonicContact OD1-NE 3.66Å; D160-R163 PolarHBondContact OD1-NE 3.47Å; D160-R163 IonicContact OD1-NH2 3.14Å; D160-R163 PolarHBondContact OD1-NH2 3.19Å; D160-R163 IonicContact OD2-NH2 2.69Å; F161-R163 PolarHBondContact O-N 3.39Å
164	L	97.9	Very high	98.4	Very high	29 Å²	29	40.3 Å²	40.3	15%	0.152	19%	0.188	C	C	.	.	H	α-helix	trans	-75.1	-34.4	179.3	-69.1	175.3	0	0	0	112.8	P48 L72 D160 F161 P166	P48-L164 WeakPolarHBondContact CD-O 3.38Å; P48-L164 HydrophobicContact CG-CB 4.26Å; L72-L164 HydrophobicContact CD2-CD1 3.76Å; D160-L164 WeakPolarHBondContact O-CG 3.24Å; D160-L164 PolarHBondContact O-N 2.63Å; F161-L164 PolarHBondContact O-N 3.38Å; F161-L164 VanDerWaalsContact O-N 3.11Å; L164-P166 VanDerWaalsContact O-CD 3.27Å; L164-P166 WeakPolarHBondContact O-CD 3.41Å
165	F	98.1	Very high	98.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.187	C	C	.	.			trans	-120.2	66.8	178.7	-57.2	-98.8	0	0	0	110.9	A47 P48 Y68 Y82 F84 F161 E167 Y168	A47-F165 HydrophobicContact CB-CD1 3.54Å; A47-F165 HydrophobicContact CB-CE1 3.57Å; P48-F165 HydrophobicContact CG-CE1 4.41Å; P48-F165 HydrophobicContact CG-CE2 4.04Å; P48-F165 HydrophobicContact CG-CZ 3.84Å; Y68-F165 HydrophobicContact CD1-CE1 4.09Å; Y68-F165 HydrophobicContact CD1-CZ 4.25Å; Y68-F165 AromaticContact CD2-CE1 3.79Å; Y68-F165 HydrophobicContact CD2-CE1 3.79Å; Y68-F165 HydrophobicContact CD2-CZ 4.19Å; Y68-F165 HydrophobicContact CE1-CE1 4.31Å; Y68-F165 AromaticContact CE2-CE1 4Å; Y68-F165 HydrophobicContact CE2-CE1 4Å; Y68-F165 AromaticContact CG-CE1 3.83Å; Y68-F165 HydrophobicContact CG-CE1 3.83Å; Y68-F165 AromaticContact CG-CZ 3.88Å; Y68-F165 HydrophobicContact CG-CZ 3.88Å; Y82-F165 AromaticContact CE2-CE2 3.92Å; Y82-F165 HydrophobicContact CE2-CE2 3.92Å; Y82-F165 AromaticContact CE2-CZ 3.96Å; Y82-F165 HydrophobicContact CE2-CZ 3.96Å; Y82-F165 AromaticContact CZ-CE2 3.87Å; Y82-F165 WeakPolarHBondContact OH-CE2 3.42Å; Y82-F165 WeakPolarHBondContact OH-CZ 3.4Å; F84-F165 HydrophobicContact CD1-CD1 4.35Å; F84-F165 AromaticContact CD1-CE1 3.89Å; F84-F165 HydrophobicContact CD1-CE1 3.89Å; F84-F165 HydrophobicContact CD1-CZ 4.16Å; F84-F165 HydrophobicContact CE1-CD1 4.25Å; F84-F165 HydrophobicContact CE1-CE1 4.21Å; F161-F165 AromaticContact CD2-CD2 3.53Å; F161-F165 HydrophobicContact CD2-CD2 3.53Å; F161-F165 AromaticContact CD2-CE2 3.87Å; F161-F165 HydrophobicContact CD2-CE2 3.87Å; F161-F165 HydrophobicContact CD2-CG 4.42Å; F161-F165 HydrophobicContact CE2-CB 4.39Å; F161-F165 AromaticContact CE2-CD2 3.42Å; F161-F165 HydrophobicContact CE2-CD2 3.42Å; F161-F165 VanDerWaalsContact CE2-CD2 3.42Å; F161-F165 AromaticContact CE2-CE2 3.78Å; F161-F165 HydrophobicContact CE2-CE2 3.78Å; F161-F165 AromaticContact CE2-CG 3.94Å; F161-F165 HydrophobicContact CE2-CG 3.94Å; F161-F165 HydrophobicContact CG-CD2 4.35Å; F161-F165 HydrophobicContact CZ-CB 4.3Å; F161-F165 HydrophobicContact CZ-CD2 4.17Å; F161-F165 HydrophobicContact CZ-CG 4.28Å; F161-F165 WeakPolarHBondContact O-CD2 3.33Å; F161-F165 PolarHBondContact O-N 2.83Å; F165-E167 WeakPolarHBondContact CA-OE2 3.22Å; F165-E167 PolarHBondContact O-N 2.82Å; F165-E167 VanDerWaalsContact O-N 3.17Å; F165-Y168 HydrophobicContact CB-CD2 3.65Å; F165-Y168 HydrophobicContact CB-CE2 4.27Å; F165-Y168 HydrophobicContact CD1-CD2 4.27Å; F165-Y168 HydrophobicContact CD1-CE2 4.07Å; F165-Y168 HydrophobicContact CG-CD2 4.29Å; F165-Y168 PolarHBondContact O-N 2.84Å; F165-Y168 VanDerWaalsContact O-N 3.08Å
166	P	97.6	Very high	98.4	Very high	37 Å²	37	39.2 Å²	39.2	24%	0.24	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-60.5	-24.9	-175.6	26.3	-35.8	0	0	0	114.2	E45 F162 L164 Y168 K169	E45-P166 WeakPolarHBondContact O-CG 3.48Å; F162-P166 WeakPolarHBondContact O-CA 3.4Å; L164-P166 VanDerWaalsContact O-CD 3.27Å; L164-P166 WeakPolarHBondContact O-CD 3.41Å; P166-Y168 PolarHBondContact O-N 2.81Å; P166-K169 WeakPolarHBondContact O-CB 3.33Å; P166-K169 WeakPolarHBondContact O-CG 3.36Å; P166-K169 PolarHBondContact O-N 2.96Å
167	E	97.2	Very high	98.4	Very high	76 Å²	76	36.5 Å²	36.5	36%	0.355	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-59.4	-27.3	174.6	60.5	-91.8	-133.7	0	0	113	A47 F165 N171	A47-E167 WeakPolarHBondContact CB-OE1 3.42Å; A47-E167 PolarHBondContact N-OE1 3.04Å; F165-E167 WeakPolarHBondContact CA-OE2 3.22Å; F165-E167 PolarHBondContact O-N 2.82Å; F165-E167 VanDerWaalsContact O-N 3.17Å; E167-N171 PolarHBondContact O-ND2 2.88Å
168	Y	98.3	Very high	98.4	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.02	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-90.3	-3.3	-179.5	-66.1	-58.9	0	0	0	114.7	F84 E86 P91 V96 F161 F165 P166 N170 N171	F84-Y168 HydrophobicContact CE1-CD2 4.02Å; F84-Y168 AromaticContact CE1-CE2 3.41Å; F84-Y168 HydrophobicContact CE1-CE2 3.41Å; F84-Y168 VanDerWaalsContact CE1-CE2 3.41Å; F84-Y168 AromaticContact CE1-CZ 3.95Å; F84-Y168 AromaticContact CZ-CD2 3.83Å; F84-Y168 HydrophobicContact CZ-CD2 3.83Å; F84-Y168 AromaticContact CZ-CE2 3.52Å; F84-Y168 HydrophobicContact CZ-CE2 3.52Å; F84-Y168 AromaticContact CZ-CZ 3.9Å; E86-Y168 VanDerWaalsContact CD-OH 3.31Å; E86-Y168 WeakPolarHBondContact CG-OH 3.37Å; E86-Y168 PolarHBondContact OE1-OH 3.36Å; P91-Y168 WeakPolarHBondContact O-CE1 3.45Å; V96-Y168 HydrophobicContact CG2-CD1 4.08Å; V96-Y168 HydrophobicContact CG2-CG 4Å; F161-Y168 HydrophobicContact CZ-CD2 4.31Å; F165-Y168 HydrophobicContact CB-CD2 3.65Å; F165-Y168 HydrophobicContact CB-CE2 4.27Å; F165-Y168 HydrophobicContact CD1-CD2 4.27Å; F165-Y168 HydrophobicContact CD1-CE2 4.07Å; F165-Y168 HydrophobicContact CG-CD2 4.29Å; F165-Y168 PolarHBondContact O-N 2.84Å; F165-Y168 VanDerWaalsContact O-N 3.08Å; P166-Y168 PolarHBondContact O-N 2.81Å; Y168-N170 PolarHBondContact O-N 3.3Å; Y168-N170 VanDerWaalsContact O-N 3.14Å; Y168-N171 WeakPolarHBondContact O-CB 3.3Å; Y168-N171 PolarHBondContact O-N 2.61Å
169	K	96.9	Very high	98.4	Very high	95 Å²	95	37 Å²	37	41%	0.413	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.1	-177.7	-76.6	179.1	-176.7	-178	0	114.2	F162 P166	F162-K169 HydrophobicContact CB-CG 3.98Å; F162-K169 HydrophobicContact CD1-CG 4.16Å; F162-K169 HydrophobicContact CG-CG 4.35Å; F162-K169 WeakPolarHBondContact O-CE 3.32Å; P166-K169 WeakPolarHBondContact O-CB 3.33Å; P166-K169 WeakPolarHBondContact O-CG 3.36Å; P166-K169 PolarHBondContact O-N 2.96Å
170	N	97.9	Very high	98.4	Very high	140 Å²	140	33.2 Å²	33.2	75%	0.749	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.8	-177.7	-63.3	-39.5	0	0	0	113	Y168 N199	Y168-N170 PolarHBondContact O-N 3.3Å; Y168-N170 VanDerWaalsContact O-N 3.14Å; N170-N199 PolarHBondContact O-ND2 2.95Å
171	N	98.7	Very high	98.4	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.08	15%	0.151	C	C	.	.	S	Bend	trans	-65.7	147.4	179.5	-82.3	-83.2	0	0	0	110.3	E92 N93 S94 V96 E167 Y168 L173	E92-N171 PolarHBondContact O-ND2 2.97Å; E92-N171 PolarHBondContact O-OD1 3.09Å; E92-N171 VanDerWaalsContact O-OD1 3.08Å; N93-N171 VanDerWaalsContact C-OD1 3.28Å; N93-N171 WeakPolarHBondContact CA-OD1 3.39Å; S94-N171 PolarHBondContact O-OD1 2.88Å; V96-N171 HydrophobicContact CG2-CB 3.96Å; E167-N171 PolarHBondContact O-ND2 2.88Å; Y168-N171 WeakPolarHBondContact O-CB 3.3Å; Y168-N171 PolarHBondContact O-N 2.61Å; N171-L173 PolarHBondContact O-N 3.44Å
172	K	98.8	Very high	98.4	Very high	101 Å²	101	32.2 Å²	32.2	44%	0.439	15%	0.151	S	C	.	.	P	Polyproline II helix	trans	-60.6	123	176.4	-67.5	-178.6	-176.3	165.9	0	108.9	P95 V96 F174 Q201	P95-K172 CarbonylContact C-O 3.46Å; P95-K172 VanDerWaalsContact CA-O 3.24Å; P95-K172 WeakPolarHBondContact CA-O 3.28Å; P95-K172 HydrophobicContact CB-CB 4.26Å; P95-K172 WeakPolarHBondContact CB-O 3.41Å; V96-K172 PolarHBondContact N-O 2.95Å; K172-F174 HydrophobicContact CB-CE2 3.97Å; K172-Q201 HydrophobicContact CB-CB 4.4Å; K172-Q201 HydrophobicContact CB-CG 3.66Å; K172-Q201 HydrophobicContact CD-CG 4.15Å; K172-Q201 HydrophobicContact CG-CG 3.72Å
173	L	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.3	178.1	174.5	65.5	0	0	0	110.5	V96 L158 F162 N171 L175 V192 M198 N199 L200 Q201	V96-L173 HydrophobicContact CB-CD1 4.3Å; V96-L173 HydrophobicContact CG1-CD1 4.06Å; V96-L173 CarbonylContact O-C 3.48Å; V96-L173 WeakPolarHBondContact O-CA 3.46Å; L158-L173 HydrophobicContact CD2-CD2 3.96Å; F162-L173 HydrophobicContact CE2-CD2 4.16Å; F162-L173 HydrophobicContact CZ-CD1 4.23Å; F162-L173 HydrophobicContact CZ-CD2 4.21Å; N171-L173 PolarHBondContact O-N 3.44Å; L173-L175 HydrophobicContact CD1-CD2 4.15Å; L173-L175 HydrophobicContact CD2-CD2 4.21Å; L173-L175 HydrophobicContact CG-CD2 4.18Å; L173-V192 HydrophobicContact CD2-CG1 4.02Å; L173-M198 HydrophobicContact CD2-CB 4.21Å; L173-M198 HydrophobicContact CD2-SD 4.43Å; L173-N199 PolarHBondContact N-O 2.84Å; L173-L200 HydrophobicContact CG-CD1 4.46Å; L173-Q201 PolarHBondContact O-N 3.35Å
174	F	98.9	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	139.3	168.3	-66	-94.8	0	0	0	110.4	P95 V96 V97 L98 K172 T176 Q201 G202 F475 L476	P95-F174 HydrophobicContact CB-CD2 3.94Å; P95-F174 HydrophobicContact CB-CE2 4Å; P95-F174 HydrophobicContact CG-CE2 4.32Å; V96-F174 PolarHBondContact O-N 2.97Å; V97-F174 WeakPolarHBondContact CA-O 3.33Å; V97-F174 HydrophobicContact CG2-CB 4.05Å; L98-F174 PolarHBondContact N-O 3.2Å; K172-F174 HydrophobicContact CB-CE2 3.97Å; F174-T176 HydrophobicContact CB-CG2 4.49Å; F174-Q201 HydrophobicContact CD1-CB 4.42Å; F174-Q201 HydrophobicContact CD2-CB 4.49Å; F174-Q201 HydrophobicContact CE1-CB 3.87Å; F174-Q201 HydrophobicContact CE2-CB 3.93Å; F174-Q201 HydrophobicContact CZ-CB 3.61Å; F174-G202 WeakPolarHBondContact CA-O 3.16Å; F174-F475 HydrophobicContact CB-CE1 4.38Å; F174-F475 HydrophobicContact CD1-CD1 4.4Å; F174-F475 AromaticContact CD1-CE1 3.37Å; F174-F475 HydrophobicContact CD1-CE1 3.37Å; F174-F475 AromaticContact CD1-CZ 3.49Å; F174-F475 HydrophobicContact CD1-CZ 3.49Å; F174-F475 VanDerWaalsContact CD1-CZ 3.49Å; F174-F475 AromaticContact CE1-CE1 3.84Å; F174-F475 HydrophobicContact CE1-CE1 3.84Å; F174-F475 AromaticContact CE1-CZ 3.88Å; F174-F475 HydrophobicContact CE1-CZ 3.88Å; F174-F475 HydrophobicContact CG-CE1 4.09Å; F174-L476 HydrophobicContact CB-CD2 4.33Å; F174-L476 HydrophobicContact CD1-CD2 4.11Å; F174-L476 HydrophobicContact CD2-CD2 3.49Å; F174-L476 VanDerWaalsContact CD2-CD2 3.49Å; F174-L476 HydrophobicContact CE1-CD2 4.24Å; F174-L476 HydrophobicContact CE2-CD2 3.65Å; F174-L476 HydrophobicContact CG-CD2 3.72Å; F174-L476 HydrophobicContact CZ-CD2 4.02Å
175	L	98.9	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	113.8	176.9	-54.1	176.5	0	0	0	108.6	L98 L158 L173 I185 L188 A189 V192 L200 G202 L203 A204	L98-L175 HydrophobicContact CB-CD2 4.03Å; L98-L175 HydrophobicContact CD2-CD2 3.85Å; L158-L175 HydrophobicContact CD2-CD2 4.2Å; L173-L175 HydrophobicContact CD1-CD2 4.15Å; L173-L175 HydrophobicContact CD2-CD2 4.21Å; L173-L175 HydrophobicContact CG-CD2 4.18Å; L175-I185 HydrophobicContact CB-CD1 4.2Å; L175-I185 HydrophobicContact CB-CG2 3.99Å; L175-I185 WeakPolarHBondContact O-CG2 3.17Å; L175-L188 HydrophobicContact CD1-CD2 4.37Å; L175-L188 HydrophobicContact CD1-CG 4.14Å; L175-L188 HydrophobicContact CD2-CD2 4.29Å; L175-A189 HydrophobicContact CD1-CB 3.78Å; L175-V192 HydrophobicContact CD1-CB 4.3Å; L175-V192 HydrophobicContact CD1-CG2 4.1Å; L175-L200 HydrophobicContact CD1-CD1 3.86Å; L175-L200 HydrophobicContact CG-CD1 3.77Å; L175-G202 PolarHBondContact N-O 3.07Å; L175-G202 VanDerWaalsContact N-O 3.09Å; L175-L203 HydrophobicContact CB-CB 4.35Å; L175-L203 CarbonylContact O-C 3.55Å; L175-L203 WeakPolarHBondContact O-CA 3.37Å; L175-L203 WeakPolarHBondContact O-CB 3.47Å; L175-A204 PolarHBondContact O-N 3.15Å; L175-A204 VanDerWaalsContact O-N 3.09Å
176	T	98.9	Very high	98.6	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.1	-177.2	67.2	0	0	0	0	112.2	V97 L98 W99 L100 F174 I185 A204 F472 F475	V97-T176 HydrophobicContact CG1-CG2 3.86Å; V97-T176 VanDerWaalsContact CG1-OG1 3.24Å; V97-T176 WeakPolarHBondContact CG1-OG1 3.34Å; L98-T176 CarbonylContact O-C 3.51Å; L98-T176 WeakPolarHBondContact O-CA 3.41Å; L98-T176 PolarHBondContact O-N 3.04Å; L98-T176 PolarHBondContact O-OG1 3.17Å; W99-T176 CarbonylContact C-O 3.56Å; W99-T176 WeakPolarHBondContact CA-O 3.34Å; L100-T176 PolarHBondContact N-O 3.14Å; F174-T176 HydrophobicContact CB-CG2 4.49Å; T176-I185 WeakPolarHBondContact O-CD1 3.21Å; T176-A204 WeakPolarHBondContact CA-O 3.34Å; T176-A204 WeakPolarHBondContact CB-O 3.47Å; T176-A204 HydrophobicContact CG2-CB 3.81Å; T176-F472 HydrophobicContact CG2-CE2 4.42Å; T176-F475 HydrophobicContact CG2-CE1 4.49Å
177	G	98.8	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.3	179.3	177.6	0	0	0	0	0	113	L100 A204 V205 G206	L100-G177 CarbonylContact O-C 3.5Å; L100-G177 WeakPolarHBondContact O-CA 3.46Å; G177-A204 PolarHBondContact N-O 2.66Å; G177-A204 VanDerWaalsContact N-O 3.17Å; G177-V205 WeakPolarHBondContact O-CA 2.95Å; G177-G206 PolarHBondContact O-N 2.78Å
178	E	98.8	Very high	98.7	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.019	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.9	-175.5	-168.5	172.8	99.4	0	0	112.9	W99 L100 G102 Y180 A181 G206 H458 M459	W99-E178 HydrophobicContact CH2-CB 4.07Å; W99-E178 HydrophobicContact CZ2-CB 3.93Å; L100-E178 PolarHBondContact O-N 2.95Å; G102-E178 PolarHBondContact N-O 2.97Å; E178-Y180 PolarHBondContact O-N 2.92Å; E178-A181 WeakPolarHBondContact O-CB 3.19Å; E178-A181 PolarHBondContact O-N 3.44Å; E178-G206 CarbonylContact C-O 3.56Å; E178-G206 VanDerWaalsContact CA-O 3.26Å; E178-G206 WeakPolarHBondContact CA-O 3.2Å; E178-G206 WeakPolarHBondContact CG-O 3.42Å; E178-H458 IonicContact OE1-CD2 2.85Å; E178-H458 VanDerWaalsContact OE2-O 3.05Å; E178-M459 WeakPolarHBondContact OE1-CA 3.47Å; E178-M459 WeakPolarHBondContact OE1-CG 3.47Å; E178-M459 WeakPolarHBondContact OE2-CA 3.21Å
179	S	98.8	Very high	98.7	Very high	10 Å²	10	18 Å²	18	7%	0.07	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	-122.9	167.7	-166	0	0	0	0	112.5	A181 G182 G206 N207 G208 L209 H458	S179-A181 PolarHBondContact O-N 2.8Å; S179-A181 VanDerWaalsContact O-N 3.1Å; S179-G182 PolarHBondContact O-N 2.92Å; S179-G206 PolarHBondContact N-O 3.06Å; S179-N207 VanDerWaalsContact CA-O 3.23Å; S179-N207 WeakPolarHBondContact CA-O 3.36Å; S179-N207 PolarHBondContact N-O 2.81Å; S179-G208 WeakPolarHBondContact O-CA 3.35Å; S179-L209 PolarHBondContact O-N 3.23Å; S179-H458 WeakPolarHBondContact CB-NE2 3.38Å; S179-H458 PolarHBondContact OG-CE1 3Å; S179-H458 PolarHBondContact OG-NE2 3.42Å
180	Y	98.9	Very high	98.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.4	174.1	-158.6	-88.9	0	0	0	113.1	P104 D147 E178 G182 I183 Y184 L209 Y212 Y371 R373	P104-Y180 HydrophobicContact CB-CD1 3.86Å; P104-Y180 HydrophobicContact CB-CE1 3.99Å; P104-Y180 HydrophobicContact CB-CG 4.21Å; P104-Y180 HydrophobicContact CG-CD1 4.42Å; P104-Y180 HydrophobicContact CG-CD2 4.39Å; P104-Y180 HydrophobicContact CG-CE1 4.36Å; P104-Y180 HydrophobicContact CG-CE2 4.28Å; P104-Y180 HydrophobicContact CG-CG 4.46Å; D147-Y180 PolarHBondContact OD1-OH 3.34Å; E178-Y180 PolarHBondContact O-N 2.92Å; Y180-G182 PolarHBondContact O-N 3.44Å; Y180-G182 VanDerWaalsContact O-N 3.16Å; Y180-I183 HydrophobicContact CD1-CB 4.27Å; Y180-I183 HydrophobicContact CD1-CG1 4.49Å; Y180-I183 HydrophobicContact CD2-CG1 4.48Å; Y180-I183 HydrophobicContact CE1-CB 3.94Å; Y180-I183 HydrophobicContact CE1-CG1 4.18Å; Y180-I183 HydrophobicContact CE1-CG2 4.22Å; Y180-I183 HydrophobicContact CE2-CG1 4.2Å; Y180-I183 WeakPolarHBondContact O-CB 3.31Å; Y180-I183 PolarHBondContact O-N 2.89Å; Y180-Y184 HydrophobicContact CD1-CD1 4.03Å; Y180-Y184 HydrophobicContact CD1-CD2 4.45Å; Y180-Y184 AromaticContact CD1-CE1 3.44Å; Y180-Y184 HydrophobicContact CD1-CE1 3.44Å; Y180-Y184 VanDerWaalsContact CD1-CE1 3.44Å; Y180-Y184 AromaticContact CD1-CE2 3.92Å; Y180-Y184 HydrophobicContact CD1-CE2 3.92Å; Y180-Y184 AromaticContact CD1-CZ 3.4Å; Y180-Y184 HydrophobicContact CE1-CD1 4.11Å; Y180-Y184 AromaticContact CE1-CE1 3.5Å; Y180-Y184 HydrophobicContact CE1-CE1 3.5Å; Y180-Y184 AromaticContact CE1-CZ 3.9Å; Y180-Y184 PolarHBondContact O-N 2.82Å; Y180-L209 HydrophobicContact CD2-CD2 3.82Å; Y180-L209 HydrophobicContact CE2-CD2 3.99Å; Y180-Y212 VanDerWaalsContact CE2-OH 3.29Å; Y180-Y212 WeakPolarHBondContact CE2-OH 3.28Å; Y180-Y371 AromaticContact CE1-CE1 3.97Å; Y180-Y371 HydrophobicContact CE1-CE1 3.97Å; Y180-Y371 AromaticContact CZ-CE1 3.92Å; Y180-Y371 WeakPolarHBondContact OH-CE1 3.49Å; Y180-R373 HydrophobicContact CE2-CG 4.2Å; Y180-R373 WeakPolarHBondContact OH-CG 3.39Å
181	A	98.9	Very high	98.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.1	-13.2	167.6	0	0	0	0	0	113	L100 E178 S179 I183 Y184 I185	L100-A181 HydrophobicContact CB-CB 4.09Å; L100-A181 WeakPolarHBondContact O-CB 3.45Å; E178-A181 WeakPolarHBondContact O-CB 3.19Å; E178-A181 PolarHBondContact O-N 3.44Å; S179-A181 PolarHBondContact O-N 2.8Å; S179-A181 VanDerWaalsContact O-N 3.1Å; A181-I183 PolarHBondContact O-N 3.42Å; A181-Y184 HydrophobicContact CB-CD2 3.98Å; A181-Y184 PolarHBondContact O-N 2.9Å; A181-I185 HydrophobicContact CB-CG1 4.08Å; A181-I185 VanDerWaalsContact O-CB 3.28Å; A181-I185 WeakPolarHBondContact O-CB 3.48Å; A181-I185 VanDerWaalsContact O-CG1 3.28Å; A181-I185 WeakPolarHBondContact O-CG1 3.49Å; A181-I185 PolarHBondContact O-N 2.72Å
182	G	98.9	Very high	98.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-58.2	-21.1	162.6	0	0	0	0	0	113.9	S179 Y180 P186 V205 M378	S179-G182 PolarHBondContact O-N 2.92Å; Y180-G182 PolarHBondContact O-N 3.44Å; Y180-G182 VanDerWaalsContact O-N 3.16Å; G182-P186 WeakPolarHBondContact O-CD 3.37Å; G182-P186 VanDerWaalsContact O-CG 3.24Å; G182-P186 WeakPolarHBondContact O-CG 3.41Å; G182-V205 VanDerWaalsContact CA-CG1 3.48Å; G182-M378 VanDerWaalsContact O-CG 3.29Å; G182-M378 WeakPolarHBondContact O-CG 3.33Å
183	I	98.9	Very high	98.9	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.034	C	C	.	.	H	α-helix	trans	-91.4	-45.6	167.3	-55.1	-66.2	0	0	0	111	D147 Y180 A181 T187 L209 M378	D147-I183 HydrophobicContact CB-CG2 4.28Å; Y180-I183 HydrophobicContact CD1-CB 4.27Å; Y180-I183 HydrophobicContact CD1-CG1 4.49Å; Y180-I183 HydrophobicContact CD2-CG1 4.48Å; Y180-I183 HydrophobicContact CE1-CB 3.94Å; Y180-I183 HydrophobicContact CE1-CG1 4.18Å; Y180-I183 HydrophobicContact CE1-CG2 4.22Å; Y180-I183 HydrophobicContact CE2-CG1 4.2Å; Y180-I183 WeakPolarHBondContact O-CB 3.31Å; Y180-I183 PolarHBondContact O-N 2.89Å; A181-I183 PolarHBondContact O-N 3.42Å; I183-T187 WeakPolarHBondContact O-CB 3.5Å; I183-T187 WeakPolarHBondContact O-CG2 3.4Å; I183-T187 PolarHBondContact O-N 3.14Å; I183-T187 PolarHBondContact O-OG1 3.05Å; I183-L209 WeakPolarHBondContact CD1-O 3.27Å; I183-M378 HydrophobicContact CB-SD 4.49Å; I183-M378 HydrophobicContact CD1-CE 3.71Å; I183-M378 HydrophobicContact CD1-CG 3.89Å; I183-M378 HydrophobicContact CD1-SD 4.04Å; I183-M378 HydrophobicContact CG2-CE 4.13Å; I183-M378 HydrophobicContact CG2-SD 4.3Å
184	Y	98.9	Very high	98.9	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	6%	0.062	C	C	.	.	H	α-helix	trans	-62.8	-45.3	-176	-56.5	-36.2	0	0	0	113.1	P104 V150 Y180 A181 T187 L188 Y371	P104-Y184 VanDerWaalsContact CA-OH 3.27Å; P104-Y184 WeakPolarHBondContact CA-OH 3.21Å; P104-Y184 WeakPolarHBondContact CB-OH 3.46Å; V150-Y184 HydrophobicContact CG1-CD1 3.93Å; V150-Y184 HydrophobicContact CG1-CE1 3.86Å; Y180-Y184 HydrophobicContact CD1-CD1 4.03Å; Y180-Y184 HydrophobicContact CD1-CD2 4.45Å; Y180-Y184 AromaticContact CD1-CE1 3.44Å; Y180-Y184 HydrophobicContact CD1-CE1 3.44Å; Y180-Y184 VanDerWaalsContact CD1-CE1 3.44Å; Y180-Y184 AromaticContact CD1-CE2 3.92Å; Y180-Y184 HydrophobicContact CD1-CE2 3.92Å; Y180-Y184 AromaticContact CD1-CZ 3.4Å; Y180-Y184 HydrophobicContact CE1-CD1 4.11Å; Y180-Y184 AromaticContact CE1-CE1 3.5Å; Y180-Y184 HydrophobicContact CE1-CE1 3.5Å; Y180-Y184 AromaticContact CE1-CZ 3.9Å; Y180-Y184 PolarHBondContact O-N 2.82Å; A181-Y184 HydrophobicContact CB-CD2 3.98Å; A181-Y184 PolarHBondContact O-N 2.9Å; Y184-T187 PolarHBondContact O-OG1 3.29Å; Y184-L188 WeakPolarHBondContact O-CB 3.37Å; Y184-L188 PolarHBondContact O-N 3.16Å; Y184-Y371 HydrophobicContact CE1-CE2 4.41Å; Y184-Y371 WeakPolarHBondContact CE1-OH 3.29Å
185	I	98.9	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-68.6	-49.4	-172.1	-64.2	-65.3	0	0	0	111.5	L100 L175 T176 A181 T187 L188 A189 L203 V205	L100-I185 HydrophobicContact CB-CD1 4.3Å; L100-I185 HydrophobicContact CD1-CD1 3.85Å; L100-I185 HydrophobicContact CG-CD1 4.19Å; L175-I185 HydrophobicContact CB-CD1 4.2Å; L175-I185 HydrophobicContact CB-CG2 3.99Å; L175-I185 WeakPolarHBondContact O-CG2 3.17Å; T176-I185 WeakPolarHBondContact O-CD1 3.21Å; A181-I185 HydrophobicContact CB-CG1 4.08Å; A181-I185 VanDerWaalsContact O-CB 3.28Å; A181-I185 WeakPolarHBondContact O-CB 3.48Å; A181-I185 VanDerWaalsContact O-CG1 3.28Å; A181-I185 WeakPolarHBondContact O-CG1 3.49Å; A181-I185 PolarHBondContact O-N 2.72Å; I185-T187 VanDerWaalsContact C-N 3.34Å; I185-T187 PolarHBondContact O-N 3.29Å; I185-L188 PolarHBondContact O-N 2.76Å; I185-A189 WeakPolarHBondContact O-CB 3.33Å; I185-A189 PolarHBondContact O-N 2.98Å; I185-L203 HydrophobicContact CG2-CB 3.77Å; I185-L203 HydrophobicContact CG2-CD1 3.95Å; I185-L203 HydrophobicContact CG2-CG 4.5Å; I185-V205 HydrophobicContact CB-CG2 4.05Å; I185-V205 HydrophobicContact CG2-CG2 4.03Å
186	P	98.9	Very high	98.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67	-34.6	178.3	-22.5	36	0	0	0	113	G182 V190 M378 Q381 Y382	G182-P186 WeakPolarHBondContact O-CD 3.37Å; G182-P186 VanDerWaalsContact O-CG 3.24Å; G182-P186 WeakPolarHBondContact O-CG 3.41Å; P186-V190 WeakPolarHBondContact O-CG2 3.4Å; P186-V190 PolarHBondContact O-N 3.43Å; P186-V190 VanDerWaalsContact O-N 3.14Å; P186-M378 HydrophobicContact CB-CB 4.42Å; P186-M378 HydrophobicContact CB-CG 4.42Å; P186-M378 HydrophobicContact CB-SD 4.03Å; P186-M378 HydrophobicContact CG-CB 4.37Å; P186-M378 HydrophobicContact CG-CG 4.19Å; P186-M378 HydrophobicContact CG-SD 4.25Å; P186-Q381 HydrophobicContact CB-CB 3.72Å; P186-Q381 HydrophobicContact CB-CG 4.38Å; P186-Y382 HydrophobicContact CB-CD2 4.25Å; P186-Y382 HydrophobicContact CB-CE2 3.95Å; P186-Y382 HydrophobicContact CG-CD2 4.16Å; P186-Y382 HydrophobicContact CG-CE2 3.37Å
187	T	98.9	Very high	98.7	Very high	9 Å²	9	23.4 Å²	23.4	6%	0.055	14%	0.135	C	C	.	.	H	α-helix	trans	-68.9	-43.7	176.8	52.5	0	0	0	0	111.8	I183 Y184 I185 V190 Y375 M378 Q381	I183-T187 WeakPolarHBondContact O-CB 3.5Å; I183-T187 WeakPolarHBondContact O-CG2 3.4Å; I183-T187 PolarHBondContact O-N 3.14Å; I183-T187 PolarHBondContact O-OG1 3.05Å; Y184-T187 PolarHBondContact O-OG1 3.29Å; I185-T187 VanDerWaalsContact C-N 3.34Å; I185-T187 PolarHBondContact O-N 3.29Å; T187-V190 PolarHBondContact O-N 3.39Å; T187-Y375 HydrophobicContact CG2-CD2 3.96Å; T187-Y375 HydrophobicContact CG2-CE2 3.69Å; T187-M378 HydrophobicContact CG2-CE 4.36Å; T187-M378 HydrophobicContact CG2-SD 4.05Å; T187-Q381 HydrophobicContact CG2-CG 4.24Å
188	L	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-46.1	172.3	176	59.5	0	0	0	111.8	L98 L100 N154 F155 L175 Y184 I185 V190 L191 V192	L98-L188 HydrophobicContact CD2-CD2 3.48Å; L98-L188 VanDerWaalsContact CD2-CD2 3.48Å; L100-L188 HydrophobicContact CD1-CD2 4.48Å; N154-L188 HydrophobicContact CB-CD1 4.1Å; N154-L188 HydrophobicContact CB-CD2 4.18Å; F155-L188 HydrophobicContact CB-CD1 3.79Å; L175-L188 HydrophobicContact CD1-CD2 4.37Å; L175-L188 HydrophobicContact CD1-CG 4.14Å; L175-L188 HydrophobicContact CD2-CD2 4.29Å; Y184-L188 WeakPolarHBondContact O-CB 3.37Å; Y184-L188 PolarHBondContact O-N 3.16Å; I185-L188 PolarHBondContact O-N 2.76Å; L188-V190 PolarHBondContact O-N 2.97Å; L188-L191 WeakPolarHBondContact O-CA 3.42Å; L188-L191 WeakPolarHBondContact O-CB 3.05Å; L188-L191 PolarHBondContact O-N 3.11Å; L188-V192 HydrophobicContact CD1-CG2 3.94Å; L188-V192 HydrophobicContact CG-CG2 4.12Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 2.83Å
189	A	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-34.6	-179.9	0	0	0	0	0	112.2	L175 I185 L191 V192 M193 L203 L385	L175-A189 HydrophobicContact CD1-CB 3.78Å; I185-A189 WeakPolarHBondContact O-CB 3.33Å; I185-A189 PolarHBondContact O-N 2.98Å; A189-L191 VanDerWaalsContact C-N 3.29Å; A189-L191 PolarHBondContact O-N 3.24Å; A189-V192 PolarHBondContact O-N 3.08Å; A189-M193 WeakPolarHBondContact O-CB 3.31Å; A189-M193 WeakPolarHBondContact O-CG 3.28Å; A189-M193 PolarHBondContact O-N 3.46Å; A189-L203 HydrophobicContact CB-CD2 4.21Å; A189-L385 HydrophobicContact CB-CD1 3.82Å; A189-L385 HydrophobicContact CB-CD2 3.8Å; A189-L385 HydrophobicContact CB-CG 4.46Å
190	V	98.9	Very high	98.7	Very high	20 Å²	20	26.5 Å²	26.5	12%	0.121	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-28.4	174.3	167.5	0	0	0	0	112.6	P186 T187 L188 M193 Q194 Q381 K384 L385	P186-V190 WeakPolarHBondContact O-CG2 3.4Å; P186-V190 PolarHBondContact O-N 3.43Å; P186-V190 VanDerWaalsContact O-N 3.14Å; T187-V190 PolarHBondContact O-N 3.39Å; L188-V190 PolarHBondContact O-N 2.97Å; V190-M193 HydrophobicContact CG2-SD 4.43Å; V190-M193 WeakPolarHBondContact O-CG 3.41Å; V190-Q194 WeakPolarHBondContact O-CG 3.48Å; V190-Q194 PolarHBondContact O-NE2 2.89Å; V190-Q381 HydrophobicContact CG2-CB 4.07Å; V190-Q381 HydrophobicContact CG2-CG 4.21Å; V190-K384 HydrophobicContact CG1-CD 3.88Å; V190-K384 HydrophobicContact CG2-CD 4.29Å; V190-L385 HydrophobicContact CG2-CD1 4.43Å; V190-L385 HydrophobicContact CG2-CD2 4.48Å; V190-L385 HydrophobicContact CG2-CG 4.19Å
191	L	98.9	Very high	98.7	Very high	41 Å²	41	28.4 Å²	28.4	22%	0.215	16%	0.16	C	C	.	.	H	α-helix	trans	-77.7	-48.9	171.6	-61.3	177	0	0	0	110.6	A151 Q152 F155 L188 A189 M193 Q194	A151-L191 HydrophobicContact CB-CD1 4.06Å; A151-L191 WeakPolarHBondContact O-CD1 3.24Å; Q152-L191 HydrophobicContact CB-CD1 4.49Å; F155-L191 HydrophobicContact CB-CB 4.2Å; F155-L191 HydrophobicContact CB-CD1 3.85Å; F155-L191 HydrophobicContact CD2-CB 3.88Å; F155-L191 HydrophobicContact CE2-CB 4.46Å; F155-L191 HydrophobicContact CG-CB 3.97Å; F155-L191 HydrophobicContact CG-CD1 4.31Å; L188-L191 WeakPolarHBondContact O-CA 3.42Å; L188-L191 WeakPolarHBondContact O-CB 3.05Å; L188-L191 PolarHBondContact O-N 3.11Å; A189-L191 VanDerWaalsContact C-N 3.29Å; A189-L191 PolarHBondContact O-N 3.24Å; L191-M193 VanDerWaalsContact C-N 3.3Å; L191-M193 PolarHBondContact O-N 3.35Å; L191-Q194 WeakPolarHBondContact O-CB 3.25Å; L191-Q194 PolarHBondContact O-N 2.75Å
192	V	98.9	Very high	98.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-38.8	-179.9	175.4	0	0	0	0	111.9	F155 L158 L173 L175 L188 A189 Q194 D195 M198 L200	F155-V192 HydrophobicContact CD2-CG2 3.95Å; F155-V192 HydrophobicContact CE2-CG2 4.42Å; L158-V192 HydrophobicContact CD2-CG2 3.92Å; L173-V192 HydrophobicContact CD2-CG1 4.02Å; L175-V192 HydrophobicContact CD1-CB 4.3Å; L175-V192 HydrophobicContact CD1-CG2 4.1Å; L188-V192 HydrophobicContact CD1-CG2 3.94Å; L188-V192 HydrophobicContact CG-CG2 4.12Å; L188-V192 WeakPolarHBondContact O-CG2 3.37Å; L188-V192 PolarHBondContact O-N 2.83Å; A189-V192 PolarHBondContact O-N 3.08Å; V192-Q194 PolarHBondContact O-N 2.92Å; V192-D195 PolarHBondContact O-N 3.1Å; V192-M198 HydrophobicContact CB-SD 4.37Å; V192-M198 HydrophobicContact CG1-CB 3.87Å; V192-M198 HydrophobicContact CG1-CG 4.49Å; V192-M198 HydrophobicContact CG1-SD 3.8Å; V192-M198 HydrophobicContact CG2-SD 3.98Å; V192-L200 HydrophobicContact CB-CD2 4.3Å; V192-L200 HydrophobicContact CG1-CB 3.87Å; V192-L200 HydrophobicContact CG1-CD1 4.29Å; V192-L200 HydrophobicContact CG1-CD2 3.94Å; V192-L200 HydrophobicContact CG1-CG 4.25Å
193	M	98.6	Very high	98.7	Very high	45 Å²	45	28.4 Å²	28.4	22%	0.222	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16	177.6	72.4	174.4	-61.5	0	0	114.2	A189 V190 L191 L200 K384 L385 Y391	A189-M193 WeakPolarHBondContact O-CB 3.31Å; A189-M193 WeakPolarHBondContact O-CG 3.28Å; A189-M193 PolarHBondContact O-N 3.46Å; V190-M193 HydrophobicContact CG2-SD 4.43Å; V190-M193 WeakPolarHBondContact O-CG 3.41Å; L191-M193 VanDerWaalsContact C-N 3.3Å; L191-M193 PolarHBondContact O-N 3.35Å; M193-L200 HydrophobicContact CB-CD2 4.41Å; M193-K384 HydrophobicContact CE-CG 4.45Å; M193-K384 HydrophobicContact SD-CD 4.42Å; M193-K384 HydrophobicContact SD-CG 4.08Å; M193-L385 HydrophobicContact CB-CD2 4.37Å; M193-L385 HydrophobicContact CG-CD2 4.44Å; M193-L385 HydrophobicContact SD-CD2 3.82Å; M193-L385 HydrophobicContact SD-CG 4.49Å; M193-Y391 HydrophobicContact CB-CE2 3.92Å; M193-Y391 VanDerWaalsContact CB-OH 3.31Å; M193-Y391 WeakPolarHBondContact CB-OH 3.26Å; M193-Y391 HydrophobicContact CE-CE2 4.26Å
194	Q	98.5	Very high	98.7	Very high	124 Å²	124	28.5 Å²	28.5	58%	0.579	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-13	177.6	-61.6	174.1	54.2	0	0	112.1	V190 L191 V192 P196	V190-Q194 WeakPolarHBondContact O-CG 3.48Å; V190-Q194 PolarHBondContact O-NE2 2.89Å; L191-Q194 WeakPolarHBondContact O-CB 3.25Å; L191-Q194 PolarHBondContact O-N 2.75Å; V192-Q194 PolarHBondContact O-N 2.92Å; Q194-P196 WeakPolarHBondContact O-CD 3.12Å
195	D	98.4	Very high	98.7	Very high	26 Å²	26	28.4 Å²	28.4	14%	0.139	16%	0.16	C	C	.	.			trans	-99.2	102.3	177.7	-168.3	-25.1	0	0	0	110	F155 Q159 V192 S197 M198	F155-D195 HydrophobicContact CE2-CB 3.94Å; F155-D195 HydrophobicContact CZ-CB 3.97Å; Q159-D195 PolarHBondContact NE2-OD2 2.93Å; V192-D195 PolarHBondContact O-N 3.1Å; D195-S197 VanDerWaalsContact CG-OG 3.31Å; D195-S197 PolarHBondContact O-N 2.98Å; D195-S197 VanDerWaalsContact O-N 3.14Å; D195-S197 VanDerWaalsContact OD1-CB 3.28Å; D195-S197 WeakPolarHBondContact OD1-CB 3.47Å; D195-S197 PolarHBondContact OD1-N 3.42Å; D195-S197 PolarHBondContact OD1-OG 3.43Å; D195-M198 HydrophobicContact CB-CG 4.5Å; D195-M198 PolarHBondContact O-N 3.46Å
196	P	97.3	Very high	98.7	Very high	128 Å²	128	28.4 Å²	28.4	83%	0.831	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.3	-178.3	30.5	-36.4	0	0	0	113.4	Q194 M198	Q194-P196 WeakPolarHBondContact O-CD 3.12Å; P196-M198 VanDerWaalsContact C-N 3.31Å
197	S	97.9	Very high	98.7	Very high	83 Å²	83	28.4 Å²	28.4	58%	0.58	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.3	175.8	75.4	0	0	0	0	112.9	D195	D195-S197 VanDerWaalsContact CG-OG 3.31Å; D195-S197 PolarHBondContact O-N 2.98Å; D195-S197 VanDerWaalsContact O-N 3.14Å; D195-S197 VanDerWaalsContact OD1-CB 3.28Å; D195-S197 WeakPolarHBondContact OD1-CB 3.47Å; D195-S197 PolarHBondContact OD1-N 3.42Å; D195-S197 PolarHBondContact OD1-OG 3.43Å
198	M	98.5	Very high	98.7	Very high	11 Å²	11	28.1 Å²	28.1	5%	0.054	16%	0.158	C	C	.	.	S	Bend	trans	-96.3	119.4	176.5	-63.9	-170.2	-172.2	0	0	110.5	F155 L158 Q159 F162 L173 V192 D195 P196 L200	F155-M198 HydrophobicContact CD2-CE 4.31Å; F155-M198 HydrophobicContact CE2-CE 3.92Å; F155-M198 HydrophobicContact CE2-SD 4.26Å; L158-M198 HydrophobicContact CB-CE 4.24Å; L158-M198 HydrophobicContact CD2-CE 4.23Å; L158-M198 HydrophobicContact CD2-SD 3.65Å; L158-M198 HydrophobicContact CG-CE 4.03Å; L158-M198 HydrophobicContact CG-SD 4.01Å; Q159-M198 HydrophobicContact CB-CE 4.23Å; Q159-M198 HydrophobicContact CG-CE 3.38Å; F162-M198 HydrophobicContact CD2-CE 4.18Å; F162-M198 HydrophobicContact CD2-CG 4.17Å; F162-M198 HydrophobicContact CD2-SD 4.39Å; F162-M198 HydrophobicContact CE2-CE 4.47Å; F162-M198 HydrophobicContact CE2-CG 4Å; F162-M198 HydrophobicContact CE2-SD 4.13Å; L173-M198 HydrophobicContact CD2-CB 4.21Å; L173-M198 HydrophobicContact CD2-SD 4.43Å; V192-M198 HydrophobicContact CB-SD 4.37Å; V192-M198 HydrophobicContact CG1-CB 3.87Å; V192-M198 HydrophobicContact CG1-CG 4.49Å; V192-M198 HydrophobicContact CG1-SD 3.8Å; V192-M198 HydrophobicContact CG2-SD 3.98Å; D195-M198 HydrophobicContact CB-CG 4.5Å; D195-M198 PolarHBondContact O-N 3.46Å; P196-M198 VanDerWaalsContact C-N 3.31Å; M198-L200 PolarHBondContact O-N 2.82Å
199	N	98.5	Very high	98.7	Very high	58 Å²	58	28.2 Å²	28.2	31%	0.31	16%	0.159	S	C	.	.			trans	-78.7	60.7	-178.5	-173.5	12.7	0	0	0	112.6	N170 L173 Q201	N170-N199 PolarHBondContact O-ND2 2.95Å; L173-N199 PolarHBondContact N-O 2.84Å; N199-Q201 PolarHBondContact O-N 3.04Å; N199-Q201 PolarHBondContact OD1-NE2 2.9Å
200	L	98.9	Very high	98.7	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.052	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	123.4	179.8	-177.8	65	0	0	0	111.5	L173 L175 V192 M193 M198 Y391	L173-L200 HydrophobicContact CG-CD1 4.46Å; L175-L200 HydrophobicContact CD1-CD1 3.86Å; L175-L200 HydrophobicContact CG-CD1 3.77Å; V192-L200 HydrophobicContact CB-CD2 4.3Å; V192-L200 HydrophobicContact CG1-CB 3.87Å; V192-L200 HydrophobicContact CG1-CD1 4.29Å; V192-L200 HydrophobicContact CG1-CD2 3.94Å; V192-L200 HydrophobicContact CG1-CG 4.25Å; M193-L200 HydrophobicContact CB-CD2 4.41Å; M198-L200 PolarHBondContact O-N 2.82Å; L200-Y391 HydrophobicContact CB-CD1 4.48Å; L200-Y391 HydrophobicContact CB-CE1 4.08Å; L200-Y391 HydrophobicContact CD2-CD1 4.12Å; L200-Y391 HydrophobicContact CD2-CE1 3.9Å; L200-Y391 HydrophobicContact CD2-CE2 4.49Å; L200-Y391 HydrophobicContact CG-CD1 3.95Å; L200-Y391 HydrophobicContact CG-CE1 3.93Å; L200-Y391 WeakPolarHBondContact O-CD1 3.3Å; L200-Y391 WeakPolarHBondContact O-CE1 3.3Å
201	Q	98.8	Very high	98.7	Very high	40 Å²	40	27.7 Å²	27.7	19%	0.187	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-22.4	-178.8	-69	-60.2	-51.8	0	0	113.7	K172 L173 F174 N199 Y391 Q392	K172-Q201 HydrophobicContact CB-CB 4.4Å; K172-Q201 HydrophobicContact CB-CG 3.66Å; K172-Q201 HydrophobicContact CD-CG 4.15Å; K172-Q201 HydrophobicContact CG-CG 3.72Å; L173-Q201 PolarHBondContact O-N 3.35Å; F174-Q201 HydrophobicContact CD1-CB 4.42Å; F174-Q201 HydrophobicContact CD2-CB 4.49Å; F174-Q201 HydrophobicContact CE1-CB 3.87Å; F174-Q201 HydrophobicContact CE2-CB 3.93Å; F174-Q201 HydrophobicContact CZ-CB 3.61Å; N199-Q201 PolarHBondContact O-N 3.04Å; N199-Q201 PolarHBondContact OD1-NE2 2.9Å; Q201-Y391 WeakPolarHBondContact O-CA 3.48Å; Q201-Q392 PolarHBondContact O-N 2.93Å
202	G	98.8	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	175.2	-178.7	0	0	0	0	0	114.3	F174 L175 Q392	F174-G202 WeakPolarHBondContact CA-O 3.16Å; L175-G202 PolarHBondContact N-O 3.07Å; L175-G202 VanDerWaalsContact N-O 3.09Å; G202-Q392 CarbonylContact C-O 3.51Å; G202-Q392 WeakPolarHBondContact CA-O 3.27Å
203	L	98.9	Very high	98.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.9	172.5	56.7	137.8	0	0	0	111.5	L175 I185 A189 Y382 L385 Q392 I393 L394	L175-L203 HydrophobicContact CB-CB 4.35Å; L175-L203 CarbonylContact O-C 3.55Å; L175-L203 WeakPolarHBondContact O-CA 3.37Å; L175-L203 WeakPolarHBondContact O-CB 3.47Å; I185-L203 HydrophobicContact CG2-CB 3.77Å; I185-L203 HydrophobicContact CG2-CD1 3.95Å; I185-L203 HydrophobicContact CG2-CG 4.5Å; A189-L203 HydrophobicContact CB-CD2 4.21Å; L203-Y382 HydrophobicContact CD1-CE1 3.88Å; L203-L385 HydrophobicContact CD1-CD1 4.44Å; L203-L385 HydrophobicContact CD2-CD1 3.96Å; L203-Q392 PolarHBondContact N-O 3.28Å; L203-I393 HydrophobicContact CD1-CG2 4.16Å; L203-I393 HydrophobicContact CD2-CD1 4.11Å; L203-I393 HydrophobicContact CD2-CG1 3.87Å; L203-I393 HydrophobicContact CG-CG1 4.12Å; L203-I393 HydrophobicContact CG-CG2 4.15Å; L203-I393 WeakPolarHBondContact O-CA 3.39Å; L203-L394 PolarHBondContact O-N 2.9Å
204	A	98.9	Very high	98.7	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.017	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.3	175.1	0	0	0	0	0	111.1	L175 T176 G177 L394 Y396 F475	L175-A204 PolarHBondContact O-N 3.15Å; L175-A204 VanDerWaalsContact O-N 3.09Å; T176-A204 WeakPolarHBondContact CA-O 3.34Å; T176-A204 WeakPolarHBondContact CB-O 3.47Å; T176-A204 HydrophobicContact CG2-CB 3.81Å; G177-A204 PolarHBondContact N-O 2.66Å; G177-A204 VanDerWaalsContact N-O 3.17Å; A204-L394 CarbonylContact C-O 3.48Å; A204-L394 VanDerWaalsContact CA-O 3.22Å; A204-L394 WeakPolarHBondContact CA-O 3.18Å; A204-L394 HydrophobicContact CB-CB 4Å; A204-L394 HydrophobicContact CB-CD2 4.31Å; A204-L394 HydrophobicContact CB-CG 4.48Å; A204-Y396 HydrophobicContact CB-CE1 4.21Å; A204-F475 HydrophobicContact CB-CD1 4.33Å; A204-F475 HydrophobicContact CB-CE1 3.92Å; A204-F475 HydrophobicContact CB-CE2 4.18Å; A204-F475 HydrophobicContact CB-CZ 3.84Å
205	V	98.9	Very high	98.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.9	-179	179.1	0	0	0	0	109.6	G177 G182 I185 L394 L395 Y396	G177-V205 WeakPolarHBondContact O-CA 2.95Å; G182-V205 VanDerWaalsContact CA-CG1 3.48Å; I185-V205 HydrophobicContact CB-CG2 4.05Å; I185-V205 HydrophobicContact CG2-CG2 4.03Å; V205-L394 PolarHBondContact N-O 3.35Å; V205-L395 WeakPolarHBondContact O-CA 3.33Å; V205-Y396 WeakPolarHBondContact O-CD1 3.24Å; V205-Y396 PolarHBondContact O-N 3.42Å
206	G	98.9	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.2	173.2	0	0	0	0	0	111.2	G177 E178 S179 G208 Y396	G177-G206 PolarHBondContact O-N 2.78Å; E178-G206 CarbonylContact C-O 3.56Å; E178-G206 VanDerWaalsContact CA-O 3.26Å; E178-G206 WeakPolarHBondContact CA-O 3.2Å; E178-G206 WeakPolarHBondContact CG-O 3.42Å; S179-G206 PolarHBondContact N-O 3.06Å; G206-G208 PolarHBondContact O-N 3.35Å; G206-Y396 CarbonylContact C-O 3.57Å; G206-Y396 VanDerWaalsContact CA-O 3.25Å; G206-Y396 WeakPolarHBondContact CA-O 3.35Å; G206-Y396 VanDerWaalsContact N-CE1 3.33Å
207	N	98.9	Very high	98.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	40.6	54.3	173.4	-73.8	73.9	0	0	0	112.3	S179 Y396 N397 G398 D401 C404 H458 V460	S179-N207 VanDerWaalsContact CA-O 3.23Å; S179-N207 WeakPolarHBondContact CA-O 3.36Å; S179-N207 PolarHBondContact N-O 2.81Å; N207-Y396 PolarHBondContact N-O 3Å; N207-N397 WeakPolarHBondContact CA-ND2 3.26Å; N207-N397 WeakPolarHBondContact OD1-CA 3.08Å; N207-G398 PolarHBondContact ND2-N 3.41Å; N207-G398 PolarHBondContact ND2-O 3.13Å; N207-G398 PolarHBondContact OD1-N 3.45Å; N207-D401 WeakPolarHBondContact ND2-CB 3.44Å; N207-D401 PolarHBondContact ND2-OD2 3Å; N207-C404 VanDerWaalsContact C-CB 3.42Å; N207-C404 HydrophobicContact CB-CB 4.3Å; N207-C404 PolarHBondContact ND2-O 2.78Å; N207-C404 WeakPolarHBondContact O-CB 3.31Å; N207-C404 PolarHBondContact O-SG 3.09Å; N207-H458 PolarHBondContact OD1-O 3.41Å; N207-V460 WeakPolarHBondContact OD1-CG2 3.3Å
208	G	98.8	Very high	98.8	Very high	2 Å²	2	14.3 Å²	14.3	2%	0.021	7%	0.072	C	C	.	.			trans	-86.7	145.9	-162.1	0	0	0	0	0	113.9	S179 G206 S210 D409	S179-G208 WeakPolarHBondContact O-CA 3.35Å; G206-G208 PolarHBondContact O-N 3.35Å; G208-S210 VanDerWaalsContact C-N 3.35Å; G208-S210 PolarHBondContact O-N 3.41Å; G208-D409 PolarHBondContact N-OD2 3.23Å
209	L	98.9	Very high	98.8	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.01	7%	0.069	C	C	.	.			trans	-80.9	83.2	165.4	-172.9	61.5	0	0	0	110.7	S179 Y180 I183 Y212 N215 N304	S179-L209 PolarHBondContact O-N 3.23Å; Y180-L209 HydrophobicContact CD2-CD2 3.82Å; Y180-L209 HydrophobicContact CE2-CD2 3.99Å; I183-L209 WeakPolarHBondContact CD1-O 3.27Å; L209-Y212 HydrophobicContact CD1-CD1 4.32Å; L209-Y212 HydrophobicContact CD1-CG 4.43Å; L209-Y212 HydrophobicContact CD2-CD1 4.15Å; L209-Y212 HydrophobicContact CD2-CE1 3.56Å; L209-Y212 HydrophobicContact CD2-CE2 3.93Å; L209-Y212 VanDerWaalsContact CD2-CZ 3.42Å; L209-Y212 HydrophobicContact CG-CE1 4.46Å; L209-Y212 HydrophobicContact CG-CE2 4.36Å; L209-N215 HydrophobicContact CD1-CB 4.25Å; L209-N304 HydrophobicContact CD2-CB 3.95Å
210	S	98.8	Very high	98.9	Very high	1 Å²	1	11 Å²	11	1%	0.007	5%	0.054	C	C	.	.	S	Bend	trans	-88	-28.3	-178.5	-52.1	0	0	0	0	113.9	G208 S377 M378 L395 D409 F412	G208-S210 VanDerWaalsContact C-N 3.35Å; G208-S210 PolarHBondContact O-N 3.41Å; S210-S377 CarbonylContact O-C 3.48Å; S210-S377 VanDerWaalsContact O-CA 3.27Å; S210-S377 WeakPolarHBondContact O-CA 3.45Å; S210-S377 PolarHBondContact O-OG 2.82Å; S210-M378 PolarHBondContact O-N 3.17Å; S210-L395 WeakPolarHBondContact OG-CD2 3.43Å; S210-D409 WeakPolarHBondContact CB-OD1 3.46Å; S210-D409 PolarHBondContact OG-OD1 3.23Å; S210-F412 VanDerWaalsContact CB-CD1 3.45Å
211	S	98.9	Very high	98.9	Very high	9 Å²	9	12.7 Å²	12.7	6%	0.063	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-156.6	122	175.9	178.6	0	0	0	0	110.2	E213 Q214 N215	S211-E213 VanDerWaalsContact C-N 3.3Å; S211-E213 PolarHBondContact O-N 3.24Å; S211-Q214 PolarHBondContact O-N 2.95Å; S211-Q214 PolarHBondContact OG-N 3.48Å; S211-N215 WeakPolarHBondContact O-CB 3.15Å; S211-N215 PolarHBondContact O-N 3.4Å
212	Y	98.8	Very high	98.9	Very high	6 Å²	6	10.8 Å²	10.8	2%	0.024	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-41.6	177.9	-70.8	-97.3	0	0	0	111.6	Y180 L209 D216 N304 T307 R373 Y375 R376	Y180-Y212 VanDerWaalsContact CE2-OH 3.29Å; Y180-Y212 WeakPolarHBondContact CE2-OH 3.28Å; L209-Y212 HydrophobicContact CD1-CD1 4.32Å; L209-Y212 HydrophobicContact CD1-CG 4.43Å; L209-Y212 HydrophobicContact CD2-CD1 4.15Å; L209-Y212 HydrophobicContact CD2-CE1 3.56Å; L209-Y212 HydrophobicContact CD2-CE2 3.93Å; L209-Y212 VanDerWaalsContact CD2-CZ 3.42Å; L209-Y212 HydrophobicContact CG-CE1 4.46Å; L209-Y212 HydrophobicContact CG-CE2 4.36Å; Y212-D216 VanDerWaalsContact O-CB 3.27Å; Y212-D216 WeakPolarHBondContact O-CB 3.44Å; Y212-D216 VanDerWaalsContact O-CG 3.26Å; Y212-D216 PolarHBondContact O-N 3.09Å; Y212-N304 WeakPolarHBondContact CD1-O 3.44Å; Y212-N304 HydrophobicContact CE1-CB 4.46Å; Y212-N304 WeakPolarHBondContact CE1-O 3.14Å; Y212-T307 HydrophobicContact CD1-CG2 4.24Å; Y212-T307 HydrophobicContact CE1-CG2 4.1Å; Y212-R373 VanDerWaalsContact OH-CD 3.28Å; Y212-R373 WeakPolarHBondContact OH-CD 3.42Å; Y212-R373 WeakPolarHBondContact OH-CG 3.03Å; Y212-Y375 WeakPolarHBondContact CE2-O 3.5Å; Y212-R376 WeakPolarHBondContact CD2-O 3.21Å; Y212-R376 PolarHBondContact N-O 3.35Å
213	E	98.8	Very high	98.9	Very high	98 Å²	98	10.8 Å²	10.8	46%	0.458	5%	0.052	S	C	.	.	H	α-helix	trans	-64.2	-45	-179	178.7	177.8	-177.7	0	0	111.8	S211 N217 Y250	S211-E213 VanDerWaalsContact C-N 3.3Å; S211-E213 PolarHBondContact O-N 3.24Å; E213-N217 VanDerWaalsContact O-CB 3.24Å; E213-N217 WeakPolarHBondContact O-CB 3.43Å; E213-N217 PolarHBondContact O-N 3.45Å; E213-N217 PolarHBondContact O-ND2 3.35Å; E213-Y250 HydrophobicContact CB-CD1 3.71Å; E213-Y250 HydrophobicContact CB-CD2 4.18Å; E213-Y250 HydrophobicContact CB-CE1 3.89Å; E213-Y250 HydrophobicContact CB-CE2 4.37Å; E213-Y250 HydrophobicContact CB-CG 3.83Å; E213-Y250 HydrophobicContact CG-CD1 3.73Å; E213-Y250 HydrophobicContact CG-CE1 4.32Å; E213-Y250 HydrophobicContact CG-CG 3.94Å
214	Q	98.9	Very high	98.9	Very high	35 Å²	35	13.1 Å²	13.1	16%	0.164	6%	0.061	C	C	.	.	H	α-helix	trans	-71.5	-39	-178.7	-61.2	-171.8	39.2	0	0	111.2	S211 S218 W411 S415	S211-Q214 PolarHBondContact O-N 2.95Å; S211-Q214 PolarHBondContact OG-N 3.48Å; Q214-S218 VanDerWaalsContact O-CB 3.24Å; Q214-S218 WeakPolarHBondContact O-CB 3.45Å; Q214-S218 PolarHBondContact O-N 3.36Å; Q214-S218 PolarHBondContact O-OG 3.38Å; Q214-W411 PolarHBondContact OE1-O 3.23Å; Q214-S415 PolarHBondContact NE2-OG 3.05Å
215	N	98.9	Very high	98.8	Very high	8 Å²	8	20.7 Å²	20.7	4%	0.043	9%	0.09	C	C	.	.	H	α-helix	trans	-63.5	-51.5	175.2	-172.5	2.9	0	0	0	111.8	L209 S211 N217 S218 L219 A403 N405	L209-N215 HydrophobicContact CD1-CB 4.25Å; S211-N215 WeakPolarHBondContact O-CB 3.15Å; S211-N215 PolarHBondContact O-N 3.4Å; N215-N217 VanDerWaalsContact C-N 3.33Å; N215-N217 PolarHBondContact O-N 3.41Å; N215-S218 PolarHBondContact O-N 3.09Å; N215-S218 PolarHBondContact O-OG 3Å; N215-L219 WeakPolarHBondContact O-CB 3.18Å; N215-L219 PolarHBondContact O-N 2.98Å; N215-A403 PolarHBondContact ND2-O 3.17Å; N215-N405 PolarHBondContact OD1-ND2 2.76Å
216	D	98.8	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.8	-43	-179.9	-74.6	-9.6	0	0	0	111.1	Y212 Y250 F306	Y212-D216 VanDerWaalsContact O-CB 3.27Å; Y212-D216 WeakPolarHBondContact O-CB 3.44Å; Y212-D216 VanDerWaalsContact O-CG 3.26Å; Y212-D216 PolarHBondContact O-N 3.09Å; D216-Y250 HydrophobicContact CB-CD2 4.19Å; D216-Y250 WeakPolarHBondContact OD2-CD2 3.11Å; D216-F306 HydrophobicContact CB-CD1 3.94Å; D216-F306 HydrophobicContact CB-CE1 4.04Å; D216-F306 VanDerWaalsContact CG-N 3.27Å; D216-F306 PolarHBondContact OD1-N 2.85Å; D216-F306 WeakPolarHBondContact OD2-CA 3.22Å; D216-F306 PolarHBondContact OD2-N 3.41Å; D216-F306 VanDerWaalsContact OD2-N 3.1Å
217	N	98.9	Very high	98.8	Very high	18 Å²	18	26.6 Å²	26.6	10%	0.096	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-51.1	177.1	-74.2	-34	0	0	0	111.9	E213 N215 L219 V220 Y221 F249 Y250 W411	E213-N217 VanDerWaalsContact O-CB 3.24Å; E213-N217 WeakPolarHBondContact O-CB 3.43Å; E213-N217 PolarHBondContact O-N 3.45Å; E213-N217 PolarHBondContact O-ND2 3.35Å; N215-N217 VanDerWaalsContact C-N 3.33Å; N215-N217 PolarHBondContact O-N 3.41Å; N217-L219 VanDerWaalsContact C-N 3.27Å; N217-L219 PolarHBondContact O-N 3.42Å; N217-V220 PolarHBondContact O-N 3.25Å; N217-Y221 VanDerWaalsContact O-CD2 3.25Å; N217-Y221 WeakPolarHBondContact O-CD2 3.06Å; N217-F249 WeakPolarHBondContact OD1-CA 3.27Å; N217-F249 WeakPolarHBondContact OD1-CB 3.41Å; N217-F249 PolarHBondContact OD1-N 2.99Å; N217-Y250 PolarHBondContact OD1-N 3.47Å; N217-W411 HydrophobicContact CB-CZ3 4.25Å
218	S	98.9	Very high	98.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.8	-30.4	-176.4	72.4	0	0	0	0	112.2	Q214 N215 V220 Y221 F222 N405 G408	Q214-S218 VanDerWaalsContact O-CB 3.24Å; Q214-S218 WeakPolarHBondContact O-CB 3.45Å; Q214-S218 PolarHBondContact O-N 3.36Å; Q214-S218 PolarHBondContact O-OG 3.38Å; N215-S218 PolarHBondContact O-N 3.09Å; N215-S218 PolarHBondContact O-OG 3Å; S218-V220 PolarHBondContact O-N 3.44Å; S218-Y221 PolarHBondContact O-N 3.45Å; S218-F222 WeakPolarHBondContact O-CB 3.44Å; S218-F222 PolarHBondContact O-N 2.79Å; S218-N405 WeakPolarHBondContact CB-OD1 3.2Å; S218-N405 PolarHBondContact OG-ND2 2.73Å; S218-N405 PolarHBondContact OG-OD1 3.44Å; S218-G408 WeakPolarHBondContact OG-CA 3.33Å; S218-G408 PolarHBondContact OG-N 3.04Å; S218-G408 VanDerWaalsContact OG-N 3.15Å
219	L	98.9	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.9	-40.9	176.8	176.7	55.6	0	0	0	112.5	N215 N217 F222 A223 V268 I305 F306 M402 N405	N215-L219 WeakPolarHBondContact O-CB 3.18Å; N215-L219 PolarHBondContact O-N 2.98Å; N217-L219 VanDerWaalsContact C-N 3.27Å; N217-L219 PolarHBondContact O-N 3.42Å; L219-F222 WeakPolarHBondContact O-CB 3.29Å; L219-F222 PolarHBondContact O-N 3.4Å; L219-A223 WeakPolarHBondContact O-CB 3.24Å; L219-A223 PolarHBondContact O-N 2.95Å; L219-V268 HydrophobicContact CD1-CG1 4.15Å; L219-V268 HydrophobicContact CD2-CG1 4.36Å; L219-I305 HydrophobicContact CD2-CD1 4.39Å; L219-I305 HydrophobicContact CD2-CG2 3.56Å; L219-F306 HydrophobicContact CD2-CE2 4.19Å; L219-F306 HydrophobicContact CD2-CZ 3.93Å; L219-F306 HydrophobicContact CG-CZ 4.41Å; L219-M402 HydrophobicContact CD1-CB 3.9Å; L219-M402 WeakPolarHBondContact CD1-O 3.36Å; L219-N405 PolarHBondContact N-ND2 3.01Å
220	V	98.8	Very high	98.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.3	-39.8	179.2	-176.5	0	0	0	0	111	N217 S218 Y224 L229 W234 L237 F249 L261 V264 F306	N217-V220 PolarHBondContact O-N 3.25Å; S218-V220 PolarHBondContact O-N 3.44Å; V220-Y224 PolarHBondContact O-N 2.82Å; V220-L229 HydrophobicContact CG1-CD1 4.38Å; V220-W234 HydrophobicContact CG1-CZ3 4.31Å; V220-L237 HydrophobicContact CG1-CD1 3.93Å; V220-F249 HydrophobicContact CB-CB 4.34Å; V220-F249 HydrophobicContact CB-CD1 4.46Å; V220-F249 HydrophobicContact CB-CD2 3.55Å; V220-F249 HydrophobicContact CB-CE2 3.84Å; V220-F249 HydrophobicContact CB-CG 3.89Å; V220-F249 HydrophobicContact CB-CZ 4.4Å; V220-F249 HydrophobicContact CG1-CD1 4.15Å; V220-F249 HydrophobicContact CG1-CD2 3.91Å; V220-F249 HydrophobicContact CG1-CE1 4.03Å; V220-F249 HydrophobicContact CG1-CE2 3.79Å; V220-F249 HydrophobicContact CG1-CG 4.08Å; V220-F249 HydrophobicContact CG1-CZ 3.85Å; V220-F249 HydrophobicContact CG2-CB 3.69Å; V220-F249 HydrophobicContact CG2-CD1 4.37Å; V220-F249 HydrophobicContact CG2-CD2 3.9Å; V220-F249 HydrophobicContact CG2-CG 3.75Å; V220-L261 HydrophobicContact CG1-CD2 4.46Å; V220-L261 HydrophobicContact CG2-CD2 3.72Å; V220-V264 HydrophobicContact CG1-CG2 4.47Å; V220-V264 HydrophobicContact CG2-CG1 4.23Å; V220-F306 HydrophobicContact CG2-CE1 3.97Å; V220-F306 HydrophobicContact CG2-CZ 3.95Å
221	Y	98.8	Very high	98.7	Very high	45 Å²	45	36 Å²	36	18%	0.176	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-46.6	171.3	-73.4	-76.7	0	0	0	111.4	N217 S218 A223 Y224 Y225 W234 C247 F249 W411	N217-Y221 VanDerWaalsContact O-CD2 3.25Å; N217-Y221 WeakPolarHBondContact O-CD2 3.06Å; S218-Y221 PolarHBondContact O-N 3.45Å; Y221-A223 VanDerWaalsContact C-N 3.33Å; Y221-A223 PolarHBondContact O-N 3.47Å; Y221-Y224 PolarHBondContact O-N 3.12Å; Y221-Y225 HydrophobicContact CD1-CE2 4.01Å; Y221-Y225 WeakPolarHBondContact O-CD2 3.18Å; Y221-Y225 PolarHBondContact O-N 3.17Å; Y221-W234 AromaticContact CD1-CH2 3.49Å; Y221-W234 HydrophobicContact CD1-CH2 3.49Å; Y221-W234 VanDerWaalsContact CD1-CH2 3.49Å; Y221-W234 HydrophobicContact CD1-CZ2 4.19Å; Y221-W234 HydrophobicContact CD1-CZ3 4.41Å; Y221-W234 AromaticContact CE1-CH2 3.57Å; Y221-W234 HydrophobicContact CE1-CH2 3.57Å; Y221-W234 HydrophobicContact CE1-CZ2 4.1Å; Y221-W234 HydrophobicContact CG-CH2 4.37Å; Y221-C247 HydrophobicContact CE2-CB 4.39Å; Y221-C247 WeakPolarHBondContact OH-CB 3.49Å; Y221-C247 PolarHBondContact OH-SG 2.78Å; Y221-F249 HydrophobicContact CD2-CE2 4.16Å; Y221-F249 HydrophobicContact CE2-CD2 4.31Å; Y221-F249 AromaticContact CE2-CE2 3.78Å; Y221-F249 HydrophobicContact CE2-CE2 3.78Å; Y221-W411 AromaticContact CD2-CH2 3.91Å; Y221-W411 HydrophobicContact CD2-CH2 3.91Å; Y221-W411 HydrophobicContact CE2-CH2 4.19Å
222	F	98.9	Very high	98.7	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-53.6	-52	176.9	-173.4	-75.5	0	0	0	110.1	S218 L219 Y224 Y225 H226 L278 D399 M402 N405 F406	S218-F222 WeakPolarHBondContact O-CB 3.44Å; S218-F222 PolarHBondContact O-N 2.79Å; L219-F222 WeakPolarHBondContact O-CB 3.29Å; L219-F222 PolarHBondContact O-N 3.4Å; F222-Y224 VanDerWaalsContact C-N 3.33Å; F222-Y224 PolarHBondContact O-N 2.96Å; F222-Y225 PolarHBondContact O-N 2.8Å; F222-H226 HydrophobicContact CD1-CB 4.38Å; F222-H226 AromaticContact CD1-CE1 3.98Å; F222-H226 AromaticContact CD1-CG 3.92Å; F222-H226 AromaticContact CD1-ND1 3.53Å; F222-H226 AromaticContact CD2-CE1 3.47Å; F222-H226 VanDerWaalsContact CD2-CE1 3.47Å; F222-H226 WeakPolarHBondContact CD2-CE1 3.32Å; F222-H226 AromaticContact CD2-ND1 3.83Å; F222-H226 HydrophobicContact CE1-CB 4.17Å; F222-H226 AromaticContact CE1-CD2 3.88Å; F222-H226 AromaticContact CE1-CE1 3.86Å; F222-H226 AromaticContact CE1-CG 3.63Å; F222-H226 AromaticContact CE1-ND1 3.62Å; F222-H226 AromaticContact CE2-CE1 3.36Å; F222-H226 WeakPolarHBondContact CE2-CE1 3.46Å; F222-H226 AromaticContact CE2-ND1 3.93Å; F222-H226 AromaticContact CE2-NE2 3.62Å; F222-H226 AromaticContact CG-CE1 3.78Å; F222-H226 AromaticContact CG-ND1 3.62Å; F222-H226 AromaticContact CZ-CD2 3.74Å; F222-H226 AromaticContact CZ-CE1 3.56Å; F222-H226 AromaticContact CZ-CG 3.93Å; F222-H226 AromaticContact CZ-ND1 3.82Å; F222-H226 AromaticContact CZ-NE2 3.53Å; F222-H226 WeakPolarHBondContact O-CB 3.41Å; F222-H226 PolarHBondContact O-N 3.09Å; F222-H226 PolarHBondContact O-ND1 2.93Å; F222-L278 HydrophobicContact CE1-CD2 4.09Å; F222-D399 WeakPolarHBondContact CE2-O 3.11Å; F222-M402 HydrophobicContact CD1-CG 3.84Å; F222-M402 HydrophobicContact CD1-SD 4.29Å; F222-M402 HydrophobicContact CE1-CG 3.47Å; F222-M402 VanDerWaalsContact CE1-CG 3.47Å; F222-M402 HydrophobicContact CE1-SD 4.05Å; F222-M402 HydrophobicContact CZ-CG 4.25Å; F222-N405 HydrophobicContact CD2-CB 3.92Å; F222-N405 HydrophobicContact CE2-CB 4.34Å; F222-N405 HydrophobicContact CG-CB 4.4Å; F222-F406 HydrophobicContact CD2-CE1 4.29Å; F222-F406 HydrophobicContact CE2-CD1 4.24Å; F222-F406 HydrophobicContact CE2-CE1 4.07Å
223	A	98.8	Very high	98.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-41.4	-178.3	0	0	0	0	0	112.8	L219 Y221 L228 L229 V268	L219-A223 WeakPolarHBondContact O-CB 3.24Å; L219-A223 PolarHBondContact O-N 2.95Å; Y221-A223 VanDerWaalsContact C-N 3.33Å; Y221-A223 PolarHBondContact O-N 3.47Å; A223-L228 HydrophobicContact CB-CB 4.34Å; A223-L228 HydrophobicContact CB-CD1 4.1Å; A223-L228 WeakPolarHBondContact O-CA 3.28Å; A223-L228 VanDerWaalsContact O-CB 3.23Å; A223-L228 WeakPolarHBondContact O-CB 2.95Å; A223-L228 WeakPolarHBondContact O-CG 3.45Å; A223-L228 PolarHBondContact O-N 3.4Å; A223-L229 HydrophobicContact CB-CD1 3.89Å; A223-L229 HydrophobicContact CB-CD2 4.19Å; A223-L229 HydrophobicContact CB-CG 3.84Å; A223-L229 PolarHBondContact O-N 3.06Å; A223-V268 HydrophobicContact CB-CG2 3.98Å
224	Y	98.8	Very high	98.6	Very high	49 Å²	49	44.1 Å²	44.1	19%	0.192	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-51.6	176.4	177.1	-112	0	0	0	112.2	V220 Y221 F222 H226 G227 L229 N231 W234	V220-Y224 PolarHBondContact O-N 2.82Å; Y221-Y224 PolarHBondContact O-N 3.12Å; F222-Y224 VanDerWaalsContact C-N 3.33Å; F222-Y224 PolarHBondContact O-N 2.96Å; Y224-H226 PolarHBondContact O-N 3.27Å; Y224-G227 PolarHBondContact O-N 3.27Å; Y224-L229 HydrophobicContact CD2-CB 4.18Å; Y224-L229 WeakPolarHBondContact CD2-O 3.49Å; Y224-N231 PolarHBondContact OH-OD1 3.24Å; Y224-W234 AromaticContact CD1-CD2 3.63Å; Y224-W234 HydrophobicContact CD1-CD2 3.63Å; Y224-W234 AromaticContact CD1-CE2 3.65Å; Y224-W234 HydrophobicContact CD1-CE3 4.04Å; Y224-W234 AromaticContact CD1-CG 3.96Å; Y224-W234 HydrophobicContact CD1-CG 3.96Å; Y224-W234 HydrophobicContact CD1-CH2 4.5Å; Y224-W234 HydrophobicContact CD1-CZ2 4.11Å; Y224-W234 HydrophobicContact CD1-CZ3 4.45Å; Y224-W234 AromaticContact CD1-NE1 3.92Å; Y224-W234 HydrophobicContact CD2-CB 3.46Å; Y224-W234 VanDerWaalsContact CD2-CB 3.46Å; Y224-W234 AromaticContact CD2-CD2 3.76Å; Y224-W234 HydrophobicContact CD2-CD2 3.76Å; Y224-W234 HydrophobicContact CD2-CE3 4.06Å; Y224-W234 AromaticContact CD2-CG 3.49Å; Y224-W234 HydrophobicContact CD2-CG 3.49Å; Y224-W234 VanDerWaalsContact CD2-CG 3.49Å; Y224-W234 AromaticContact CE1-CD1 3.59Å; Y224-W234 AromaticContact CE1-CD2 3.94Å; Y224-W234 HydrophobicContact CE1-CD2 3.94Å; Y224-W234 AromaticContact CE1-CE2 3.77Å; Y224-W234 AromaticContact CE1-CG 3.85Å; Y224-W234 HydrophobicContact CE1-CG 3.85Å; Y224-W234 HydrophobicContact CE1-CZ2 4.48Å; Y224-W234 AromaticContact CE1-NE1 3.52Å; Y224-W234 HydrophobicContact CE2-CB 3.35Å; Y224-W234 AromaticContact CE2-CD1 3.63Å; Y224-W234 HydrophobicContact CE2-CD2 4.06Å; Y224-W234 AromaticContact CE2-CG 3.37Å; Y224-W234 HydrophobicContact CE2-CG 3.37Å; Y224-W234 HydrophobicContact CG-CB 4.2Å; Y224-W234 AromaticContact CG-CD2 3.52Å; Y224-W234 HydrophobicContact CG-CD2 3.52Å; Y224-W234 AromaticContact CG-CE3 3.62Å; Y224-W234 HydrophobicContact CG-CE3 3.62Å; Y224-W234 AromaticContact CG-CG 3.78Å; Y224-W234 HydrophobicContact CG-CG 3.78Å; Y224-W234 HydrophobicContact CG-CZ3 4.25Å; Y224-W234 AromaticContact CZ-CD1 3.31Å; Y224-W234 AromaticContact CZ-CG 3.54Å; Y224-W234 AromaticContact CZ-NE1 3.76Å
225	Y	98.8	Very high	98.6	Very high	160 Å²	160	45.6 Å²	45.6	63%	0.627	24%	0.238	S	C	*	.	H	α-helix	trans	-71.9	-14.3	-175.6	-71.7	-65.7	0	0	0	114.1	Y221 F222	Y221-Y225 HydrophobicContact CD1-CE2 4.01Å; Y221-Y225 WeakPolarHBondContact O-CD2 3.18Å; Y221-Y225 PolarHBondContact O-N 3.17Å; F222-Y225 PolarHBondContact O-N 2.8Å
226	H	98.7	Very high	98.6	Very high	59 Å²	59	46.7 Å²	46.7	27%	0.273	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	12.8	170.6	-64.4	75	0	0	0	113	F222 Y224 L278	F222-H226 HydrophobicContact CD1-CB 4.38Å; F222-H226 AromaticContact CD1-CE1 3.98Å; F222-H226 AromaticContact CD1-CG 3.92Å; F222-H226 AromaticContact CD1-ND1 3.53Å; F222-H226 AromaticContact CD2-CE1 3.47Å; F222-H226 VanDerWaalsContact CD2-CE1 3.47Å; F222-H226 WeakPolarHBondContact CD2-CE1 3.32Å; F222-H226 AromaticContact CD2-ND1 3.83Å; F222-H226 HydrophobicContact CE1-CB 4.17Å; F222-H226 AromaticContact CE1-CD2 3.88Å; F222-H226 AromaticContact CE1-CE1 3.86Å; F222-H226 AromaticContact CE1-CG 3.63Å; F222-H226 AromaticContact CE1-ND1 3.62Å; F222-H226 AromaticContact CE2-CE1 3.36Å; F222-H226 WeakPolarHBondContact CE2-CE1 3.46Å; F222-H226 AromaticContact CE2-ND1 3.93Å; F222-H226 AromaticContact CE2-NE2 3.62Å; F222-H226 AromaticContact CG-CE1 3.78Å; F222-H226 AromaticContact CG-ND1 3.62Å; F222-H226 AromaticContact CZ-CD2 3.74Å; F222-H226 AromaticContact CZ-CE1 3.56Å; F222-H226 AromaticContact CZ-CG 3.93Å; F222-H226 AromaticContact CZ-ND1 3.82Å; F222-H226 AromaticContact CZ-NE2 3.53Å; F222-H226 WeakPolarHBondContact O-CB 3.41Å; F222-H226 PolarHBondContact O-N 3.09Å; F222-H226 PolarHBondContact O-ND1 2.93Å; Y224-H226 PolarHBondContact O-N 3.27Å; H226-L278 HydrophobicContact CB-CD2 3.62Å
227	G	98.4	Very high	98.6	Very high	65 Å²	65	46.7 Å²	46.7	67%	0.67	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	16.2	169.5	0	0	0	0	0	115.2	Y224	Y224-G227 PolarHBondContact O-N 3.27Å
228	L	98.6	Very high	98.6	Very high	36 Å²	36	49.2 Å²	49.2	19%	0.188	26%	0.257	C	S	.	.	S	Bend	trans	-84.6	-30.9	180	-43.2	-176.9	0	0	0	111.7	A223 I267 L273 L278 M402	A223-L228 HydrophobicContact CB-CB 4.34Å; A223-L228 HydrophobicContact CB-CD1 4.1Å; A223-L228 WeakPolarHBondContact O-CA 3.28Å; A223-L228 VanDerWaalsContact O-CB 3.23Å; A223-L228 WeakPolarHBondContact O-CB 2.95Å; A223-L228 WeakPolarHBondContact O-CG 3.45Å; A223-L228 PolarHBondContact O-N 3.4Å; L228-I267 HydrophobicContact CB-CG2 4.05Å; L228-L273 HydrophobicContact CD1-CD1 3.98Å; L228-L273 HydrophobicContact CD2-CD1 3.94Å; L228-L273 HydrophobicContact CG-CD1 4.42Å; L228-L278 HydrophobicContact CD1-CD1 3.97Å; L228-L278 HydrophobicContact CD2-CD1 3.62Å; L228-L278 HydrophobicContact CD2-CD2 4.25Å; L228-L278 HydrophobicContact CG-CD1 4.4Å; L228-M402 HydrophobicContact CD1-CE 4.41Å; L228-M402 HydrophobicContact CD1-SD 3.48Å; L228-M402 WeakPolarHBondContact CD1-SD 3.35Å
229	L	98.6	Very high	98.5	Very high	6 Å²	6	54 Å²	54	3%	0.031	29%	0.286	C	S	.	.	S	Bend	trans	-106.9	127.2	-179.8	-44.1	-177.9	0	0	0	109.5	V220 A223 Y224 L233 L237 V264 I267	V220-L229 HydrophobicContact CG1-CD1 4.38Å; A223-L229 HydrophobicContact CB-CD1 3.89Å; A223-L229 HydrophobicContact CB-CD2 4.19Å; A223-L229 HydrophobicContact CB-CG 3.84Å; A223-L229 PolarHBondContact O-N 3.06Å; Y224-L229 HydrophobicContact CD2-CB 4.18Å; Y224-L229 WeakPolarHBondContact CD2-O 3.49Å; L229-L233 HydrophobicContact CB-CD2 4.35Å; L229-L233 HydrophobicContact CD2-CD2 3.92Å; L229-L237 HydrophobicContact CD1-CD1 4.02Å; L229-V264 HydrophobicContact CD1-CG1 4.36Å; L229-V264 HydrophobicContact CD1-CG2 3.83Å; L229-V264 HydrophobicContact CD2-CG1 4.45Å; L229-V264 HydrophobicContact CD2-CG2 4.13Å; L229-I267 HydrophobicContact CD2-CB 4.44Å; L229-I267 HydrophobicContact CD2-CD1 3.8Å; L229-I267 HydrophobicContact CD2-CG2 4.26Å
230	G	97.6	Very high	98.5	Very high	50 Å²	50	57.1 Å²	57.1	52%	0.515	30%	0.301	S	S	.	.			trans	-77.5	159	174.1	0	0	0	0	0	112.8	R232 L233 W234	G230-R232 PolarHBondContact O-N 2.73Å; G230-L233 PolarHBondContact O-N 2.97Å; G230-W234 PolarHBondContact O-N 3.44Å
231	N	97.9	Very high	98.5	Very high	110 Å²	110	57.3 Å²	57.3	59%	0.588	30%	0.302	S	S	*	.	H	α-helix	trans	-51.4	-34.4	-178.2	-74.8	-8	0	0	0	114.4	Y224 W234 S235	Y224-N231 PolarHBondContact OH-OD1 3.24Å; N231-W234 PolarHBondContact O-N 2.78Å; N231-S235 WeakPolarHBondContact O-CB 3.5Å; N231-S235 PolarHBondContact O-N 2.9Å; N231-S235 PolarHBondContact O-OG 2.79Å
232	R	98.4	Very high	98.5	Very high	233 Å²	233	56.3 Å²	56.3	88%	0.879	30%	0.301	S	S	*	.	H	α-helix	trans	-63.1	-48	178.4	-65.7	-175.3	-174	-176.8	2.1	112	G230 S236	G230-R232 PolarHBondContact O-N 2.73Å; R232-S236 PolarHBondContact O-N 2.71Å; R232-S236 VanDerWaalsContact O-N 3.16Å
233	L	98.6	Very high	98.3	Very high	29 Å²	29	60.5 Å²	60.5	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-67.1	-41.9	177.8	179.1	57.4	0	0	0	110.4	L229 G230 S236 L237 N260 E263 V264 I267	L229-L233 HydrophobicContact CB-CD2 4.35Å; L229-L233 HydrophobicContact CD2-CD2 3.92Å; G230-L233 PolarHBondContact O-N 2.97Å; L233-S236 WeakPolarHBondContact O-CB 3.32Å; L233-S236 PolarHBondContact O-N 3.17Å; L233-L237 HydrophobicContact CD1-CD1 4.41Å; L233-L237 HydrophobicContact CD1-CG 4.41Å; L233-L237 HydrophobicContact CG-CD1 4.07Å; L233-L237 WeakPolarHBondContact O-CG 3.34Å; L233-L237 PolarHBondContact O-N 3.36Å; L233-N260 HydrophobicContact CD1-CB 3.89Å; L233-E263 HydrophobicContact CD2-CG 3.95Å; L233-V264 HydrophobicContact CD2-CG2 4.28Å; L233-I267 HydrophobicContact CD2-CD1 3.97Å
234	W	98.6	Very high	97.9	Very high	22 Å²	22	69.4 Å²	69.4	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-60.4	-46.9	176.2	-177.5	-115.3	0	0	0	113.1	V220 Y221 Y224 G230 N231 S236 L237 Q238 F249	V220-W234 HydrophobicContact CG1-CZ3 4.31Å; Y221-W234 AromaticContact CD1-CH2 3.49Å; Y221-W234 HydrophobicContact CD1-CH2 3.49Å; Y221-W234 VanDerWaalsContact CD1-CH2 3.49Å; Y221-W234 HydrophobicContact CD1-CZ2 4.19Å; Y221-W234 HydrophobicContact CD1-CZ3 4.41Å; Y221-W234 AromaticContact CE1-CH2 3.57Å; Y221-W234 HydrophobicContact CE1-CH2 3.57Å; Y221-W234 HydrophobicContact CE1-CZ2 4.1Å; Y221-W234 HydrophobicContact CG-CH2 4.37Å; Y224-W234 AromaticContact CD1-CD2 3.63Å; Y224-W234 HydrophobicContact CD1-CD2 3.63Å; Y224-W234 AromaticContact CD1-CE2 3.65Å; Y224-W234 HydrophobicContact CD1-CE3 4.04Å; Y224-W234 AromaticContact CD1-CG 3.96Å; Y224-W234 HydrophobicContact CD1-CG 3.96Å; Y224-W234 HydrophobicContact CD1-CH2 4.5Å; Y224-W234 HydrophobicContact CD1-CZ2 4.11Å; Y224-W234 HydrophobicContact CD1-CZ3 4.45Å; Y224-W234 AromaticContact CD1-NE1 3.92Å; Y224-W234 HydrophobicContact CD2-CB 3.46Å; Y224-W234 VanDerWaalsContact CD2-CB 3.46Å; Y224-W234 AromaticContact CD2-CD2 3.76Å; Y224-W234 HydrophobicContact CD2-CD2 3.76Å; Y224-W234 HydrophobicContact CD2-CE3 4.06Å; Y224-W234 AromaticContact CD2-CG 3.49Å; Y224-W234 HydrophobicContact CD2-CG 3.49Å; Y224-W234 VanDerWaalsContact CD2-CG 3.49Å; Y224-W234 AromaticContact CE1-CD1 3.59Å; Y224-W234 AromaticContact CE1-CD2 3.94Å; Y224-W234 HydrophobicContact CE1-CD2 3.94Å; Y224-W234 AromaticContact CE1-CE2 3.77Å; Y224-W234 AromaticContact CE1-CG 3.85Å; Y224-W234 HydrophobicContact CE1-CG 3.85Å; Y224-W234 HydrophobicContact CE1-CZ2 4.48Å; Y224-W234 AromaticContact CE1-NE1 3.52Å; Y224-W234 HydrophobicContact CE2-CB 3.35Å; Y224-W234 AromaticContact CE2-CD1 3.63Å; Y224-W234 HydrophobicContact CE2-CD2 4.06Å; Y224-W234 AromaticContact CE2-CG 3.37Å; Y224-W234 HydrophobicContact CE2-CG 3.37Å; Y224-W234 HydrophobicContact CG-CB 4.2Å; Y224-W234 AromaticContact CG-CD2 3.52Å; Y224-W234 HydrophobicContact CG-CD2 3.52Å; Y224-W234 AromaticContact CG-CE3 3.62Å; Y224-W234 HydrophobicContact CG-CE3 3.62Å; Y224-W234 AromaticContact CG-CG 3.78Å; Y224-W234 HydrophobicContact CG-CG 3.78Å; Y224-W234 HydrophobicContact CG-CZ3 4.25Å; Y224-W234 AromaticContact CZ-CD1 3.31Å; Y224-W234 AromaticContact CZ-CG 3.54Å; Y224-W234 AromaticContact CZ-NE1 3.76Å; G230-W234 PolarHBondContact O-N 3.44Å; N231-W234 PolarHBondContact O-N 2.78Å; W234-S236 VanDerWaalsContact C-N 3.29Å; W234-S236 PolarHBondContact O-N 3.2Å; W234-L237 HydrophobicContact CE3-CD1 4.26Å; W234-L237 WeakPolarHBondContact O-CB 3.45Å; W234-L237 PolarHBondContact O-N 3.3Å; W234-Q238 HydrophobicContact CD2-CG 4.1Å; W234-Q238 HydrophobicContact CG-CG 4.42Å; W234-Q238 VanDerWaalsContact CZ2-CD 3.45Å; W234-Q238 HydrophobicContact CZ2-CG 3.9Å; W234-Q238 VanDerWaalsContact O-CG 3.27Å; W234-Q238 WeakPolarHBondContact O-CG 3.16Å; W234-Q238 PolarHBondContact O-N 3.19Å; W234-F249 HydrophobicContact CZ3-CZ 4.36Å
235	S	98.4	Very high	97.6	Very high	67 Å²	67	74.7 Å²	74.7	47%	0.469	40%	0.404	S	S	.	.	H	α-helix	trans	-60.6	-39	176.1	-65.4	0	0	0	0	112.1	N231 Q238 T239	N231-S235 WeakPolarHBondContact O-CB 3.5Å; N231-S235 PolarHBondContact O-N 2.9Å; N231-S235 PolarHBondContact O-OG 2.79Å; S235-Q238 PolarHBondContact O-N 2.99Å; S235-T239 WeakPolarHBondContact O-CB 3.43Å; S235-T239 PolarHBondContact O-N 2.91Å; S235-T239 PolarHBondContact O-OG1 2.96Å
236	S	98.4	Very high	97.4	Very high	30 Å²	30	75.2 Å²	75.2	21%	0.21	41%	0.41	C	S	.	.	H	α-helix	trans	-64.3	-47.1	175.7	-160.8	0	0	0	0	111.4	R232 L233 W234 Q238 T239 H240 N260	R232-S236 PolarHBondContact O-N 2.71Å; R232-S236 VanDerWaalsContact O-N 3.16Å; L233-S236 WeakPolarHBondContact O-CB 3.32Å; L233-S236 PolarHBondContact O-N 3.17Å; W234-S236 VanDerWaalsContact C-N 3.29Å; W234-S236 PolarHBondContact O-N 3.2Å; S236-Q238 PolarHBondContact O-N 3.19Å; S236-T239 PolarHBondContact O-N 2.73Å; S236-T239 VanDerWaalsContact O-N 3.16Å; S236-H240 PolarHBondContact O-CD2 3.01Å; S236-H240 PolarHBondContact O-N 3.45Å; S236-N260 WeakPolarHBondContact CB-ND2 3.45Å; S236-N260 PolarHBondContact OG-ND2 3.3Å; S236-N260 PolarHBondContact OG-OD1 3.34Å
237	L	98.6	Very high	97.4	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-55.8	-49.2	173.2	-74.6	163.4	0	0	0	111.6	V220 L229 L233 W234 T239 H240 C241 F249 N260 L261 V264	V220-L237 HydrophobicContact CG1-CD1 3.93Å; L229-L237 HydrophobicContact CD1-CD1 4.02Å; L233-L237 HydrophobicContact CD1-CD1 4.41Å; L233-L237 HydrophobicContact CD1-CG 4.41Å; L233-L237 HydrophobicContact CG-CD1 4.07Å; L233-L237 WeakPolarHBondContact O-CG 3.34Å; L233-L237 PolarHBondContact O-N 3.36Å; W234-L237 HydrophobicContact CE3-CD1 4.26Å; W234-L237 WeakPolarHBondContact O-CB 3.45Å; W234-L237 PolarHBondContact O-N 3.3Å; L237-T239 VanDerWaalsContact C-N 3.28Å; L237-T239 PolarHBondContact O-N 3.39Å; L237-H240 PolarHBondContact O-N 2.99Å; L237-C241 WeakPolarHBondContact O-CA 3.22Å; L237-C241 WeakPolarHBondContact O-CB 3.29Å; L237-C241 PolarHBondContact O-N 3.04Å; L237-F249 HydrophobicContact CB-CE1 4.07Å; L237-F249 HydrophobicContact CD2-CD1 4.36Å; L237-F249 HydrophobicContact CD2-CE1 4.02Å; L237-N260 HydrophobicContact CD2-CB 3.58Å; L237-N260 HydrophobicContact CG-CB 3.97Å; L237-L261 HydrophobicContact CD2-CD2 3.83Å; L237-L261 HydrophobicContact CD2-CG 3.97Å; L237-V264 HydrophobicContact CD1-CG2 3.77Å; L237-V264 HydrophobicContact CD2-CG2 4.29Å
238	Q	98.3	Very high	97.4	Very high	71 Å²	71	72.5 Å²	72.5	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-62	-34.8	178.5	-66.5	-69.1	79.6	0	0	112.7	W234 S235 S236 C242 C247	W234-Q238 HydrophobicContact CD2-CG 4.1Å; W234-Q238 HydrophobicContact CG-CG 4.42Å; W234-Q238 VanDerWaalsContact CZ2-CD 3.45Å; W234-Q238 HydrophobicContact CZ2-CG 3.9Å; W234-Q238 VanDerWaalsContact O-CG 3.27Å; W234-Q238 WeakPolarHBondContact O-CG 3.16Å; W234-Q238 PolarHBondContact O-N 3.19Å; S235-Q238 PolarHBondContact O-N 2.99Å; S236-Q238 PolarHBondContact O-N 3.19Å; Q238-C242 WeakPolarHBondContact O-CB 3.34Å; Q238-C242 PolarHBondContact OE1-SG 3.36Å; Q238-C247 PolarHBondContact OE1-SG 3.26Å
239	T	98.3	Very high	97.4	Very high	100 Å²	100	70.8 Å²	70.8	61%	0.613	37%	0.374	S	S	*	.	H	α-helix	trans	-73.8	-40.6	-179	-58	0	0	0	0	112	S235 S236 L237	S235-T239 WeakPolarHBondContact O-CB 3.43Å; S235-T239 PolarHBondContact O-N 2.91Å; S235-T239 PolarHBondContact O-OG1 2.96Å; S236-T239 PolarHBondContact O-N 2.73Å; S236-T239 VanDerWaalsContact O-N 3.16Å; L237-T239 VanDerWaalsContact C-N 3.28Å; L237-T239 PolarHBondContact O-N 3.39Å
240	H	98.4	Very high	97.4	Very high	66 Å²	66	70.8 Å²	70.8	31%	0.306	37%	0.374	S	S	.	.	H	α-helix	trans	-102.5	-26.9	-168.9	-65.7	-69	0	0	0	113.8	S236 L237 D254 E256 C257	S236-H240 PolarHBondContact O-CD2 3.01Å; S236-H240 PolarHBondContact O-N 3.45Å; L237-H240 PolarHBondContact O-N 2.99Å; H240-D254 IonicContact ND1-OD1 3.68Å; H240-E256 HydrophobicContact CB-CB 4.1Å; H240-C257 HydrophobicContact CB-CB 3.99Å
241	C	98.4	Very high	97.4	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.034	36%	0.364	C	S	.	.	H	α-helix	trans	-101.8	-11.4	-177	-55	0	0	0	0	113.8	L237 N248 F249 N252 C257	L237-C241 WeakPolarHBondContact O-CA 3.22Å; L237-C241 WeakPolarHBondContact O-CB 3.29Å; L237-C241 PolarHBondContact O-N 3.04Å; C241-N248 PolarHBondContact O-N 3.03Å; C241-F249 HydrophobicContact CB-CD1 3.56Å; C241-F249 HydrophobicContact CB-CE1 3.38Å; C241-F249 HydrophobicContact CB-CZ 4.5Å; C241-N252 WeakPolarHBondContact CA-ND2 3.24Å; C241-C257 WeakPolarHBondContact CA-SG 3.39Å; C241-C257 HydrophobicContact CB-CB 4.11Å; C241-C257 WeakPolarHBondContact CB-SG 3.41Å; C241-C257 WeakPolarHBondContact SG-CA 3.18Å; C241-C257 WeakPolarHBondContact SG-CB 3.3Å; C241-C257 CovalentContact SG-SG 2.04Å; C241-C257 PolarHBondContact SG-SG 3.48Å
242	C	98.2	Very high	97.4	Very high	24 Å²	24	67.3 Å²	67.3	16%	0.162	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.5	-171	-43.1	0	0	0	0	112.2	Q238 K246 C247	Q238-C242 WeakPolarHBondContact O-CB 3.34Å; Q238-C242 PolarHBondContact OE1-SG 3.36Å; C242-K246 VanDerWaalsContact CA-O 3.28Å; C242-K246 WeakPolarHBondContact CA-O 3.27Å; C242-K246 WeakPolarHBondContact CB-O 3.09Å; C242-C247 HydrophobicContact CB-CB 3.98Å; C242-C247 WeakPolarHBondContact CB-SG 3.2Å; C242-C247 VanDerWaalsContact SG-CA 3.53Å; C242-C247 WeakPolarHBondContact SG-CB 3.34Å; C242-C247 CovalentContact SG-SG 2.02Å; C242-C247 PolarHBondContact SG-SG 2.91Å
243	S	96.3	Very high	97.4	Very high	89 Å²	89	62.5 Å²	62.5	62%	0.622	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	129.8	171.3	-177.9	0	0	0	0	108.5	N245 K246	S243-N245 PolarHBondContact O-N 2.84Å; S243-K246 PolarHBondContact N-O 3.43Å; S243-K246 PolarHBondContact O-N 2.99Å; S243-K246 VanDerWaalsContact O-N 3.14Å
244	Q	90.1	Very high	97.3	Very high	187 Å²	187	64.3 Å²	64.3	87%	0.874	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	-115.3	-169.2	-53.3	173.5	-15.4	0	0	110.6
245	N	91.6	Very high	97.2	Very high	159 Å²	159	70.2 Å²	70.2	85%	0.85	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	19.7	179.4	-68.9	-13.8	0	0	0	112.5	S243	S243-N245 PolarHBondContact O-N 2.84Å
246	K	95.6	Very high	97.2	Very high	172 Å²	172	71.8 Å²	71.8	75%	0.748	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.8	177.2	-69.9	-172.4	177.4	-175.6	0	110.1	C242 S243	C242-K246 VanDerWaalsContact CA-O 3.28Å; C242-K246 WeakPolarHBondContact CA-O 3.27Å; C242-K246 WeakPolarHBondContact CB-O 3.09Å; S243-K246 PolarHBondContact N-O 3.43Å; S243-K246 PolarHBondContact O-N 2.99Å; S243-K246 VanDerWaalsContact O-N 3.14Å
247	C	98.3	Very high	97.2	Very high	18 Å²	18	70.4 Å²	70.4	12%	0.122	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.7	173.4	-65.4	0	0	0	0	110.1	Y221 Q238 C242 F249	Y221-C247 HydrophobicContact CE2-CB 4.39Å; Y221-C247 WeakPolarHBondContact OH-CB 3.49Å; Y221-C247 PolarHBondContact OH-SG 2.78Å; Q238-C247 PolarHBondContact OE1-SG 3.26Å; C242-C247 HydrophobicContact CB-CB 3.98Å; C242-C247 WeakPolarHBondContact CB-SG 3.2Å; C242-C247 VanDerWaalsContact SG-CA 3.53Å; C242-C247 WeakPolarHBondContact SG-CB 3.34Å; C242-C247 CovalentContact SG-SG 2.02Å; C242-C247 PolarHBondContact SG-SG 2.91Å; C247-F249 HydrophobicContact CB-CD2 3.92Å; C247-F249 HydrophobicContact CB-CE1 4.14Å; C247-F249 HydrophobicContact CB-CE2 3.41Å; C247-F249 VanDerWaalsContact CB-CE2 3.41Å; C247-F249 HydrophobicContact CB-CG 4.49Å; C247-F249 HydrophobicContact CB-CZ 3.54Å
248	N	98.5	Very high	97.2	Very high	49 Å²	49	71.2 Å²	71.2	26%	0.262	37%	0.366	S	S	.	.			trans	-111.1	101.2	167.3	-179.9	2.7	0	0	0	108.1	C241 Y250 D251 N252	C241-N248 PolarHBondContact O-N 3.03Å; N248-Y250 PolarHBondContact OD1-N 2.67Å; N248-D251 PolarHBondContact ND2-OD1 2.84Å; N248-D251 PolarHBondContact OD1-N 3.44Å; N248-D251 VanDerWaalsContact OD1-N 3.09Å; N248-D251 PolarHBondContact OD1-OD1 2.96Å; N248-N252 WeakPolarHBondContact O-CB 3.28Å; N248-N252 PolarHBondContact O-ND2 3.1Å
249	F	98.7	Very high	97.2	Very high	0 Å²	0	72 Å²	72	0%	0	38%	0.375	C	S	.	.			trans	-104	5.9	172.2	-55.3	-54.2	0	0	0	112.5	N217 V220 Y221 W234 L237 C241 C247 L261	N217-F249 WeakPolarHBondContact OD1-CA 3.27Å; N217-F249 WeakPolarHBondContact OD1-CB 3.41Å; N217-F249 PolarHBondContact OD1-N 2.99Å; V220-F249 HydrophobicContact CB-CB 4.34Å; V220-F249 HydrophobicContact CB-CD1 4.46Å; V220-F249 HydrophobicContact CB-CD2 3.55Å; V220-F249 HydrophobicContact CB-CE2 3.84Å; V220-F249 HydrophobicContact CB-CG 3.89Å; V220-F249 HydrophobicContact CB-CZ 4.4Å; V220-F249 HydrophobicContact CG1-CD1 4.15Å; V220-F249 HydrophobicContact CG1-CD2 3.91Å; V220-F249 HydrophobicContact CG1-CE1 4.03Å; V220-F249 HydrophobicContact CG1-CE2 3.79Å; V220-F249 HydrophobicContact CG1-CG 4.08Å; V220-F249 HydrophobicContact CG1-CZ 3.85Å; V220-F249 HydrophobicContact CG2-CB 3.69Å; V220-F249 HydrophobicContact CG2-CD1 4.37Å; V220-F249 HydrophobicContact CG2-CD2 3.9Å; V220-F249 HydrophobicContact CG2-CG 3.75Å; Y221-F249 HydrophobicContact CD2-CE2 4.16Å; Y221-F249 HydrophobicContact CE2-CD2 4.31Å; Y221-F249 AromaticContact CE2-CE2 3.78Å; Y221-F249 HydrophobicContact CE2-CE2 3.78Å; W234-F249 HydrophobicContact CZ3-CZ 4.36Å; L237-F249 HydrophobicContact CB-CE1 4.07Å; L237-F249 HydrophobicContact CD2-CD1 4.36Å; L237-F249 HydrophobicContact CD2-CE1 4.02Å; C241-F249 HydrophobicContact CB-CD1 3.56Å; C241-F249 HydrophobicContact CB-CE1 3.38Å; C241-F249 HydrophobicContact CB-CZ 4.5Å; C247-F249 HydrophobicContact CB-CD2 3.92Å; C247-F249 HydrophobicContact CB-CE1 4.14Å; C247-F249 HydrophobicContact CB-CE2 3.41Å; C247-F249 VanDerWaalsContact CB-CE2 3.41Å; C247-F249 HydrophobicContact CB-CG 4.49Å; C247-F249 HydrophobicContact CB-CZ 3.54Å; F249-L261 HydrophobicContact CB-CD1 4.34Å; F249-L261 HydrophobicContact CB-CD2 3.88Å; F249-L261 HydrophobicContact CD1-CD1 4.3Å; F249-L261 HydrophobicContact CD1-CD2 3.75Å; F249-L261 HydrophobicContact CD1-CG 4.43Å; F249-L261 HydrophobicContact CG-CD2 4.13Å
250	Y	98.5	Very high	97.2	Very high	6 Å²	6	68 Å²	68	2%	0.024	35%	0.351	C	S	.	.	S	Bend	trans	-94.8	-55.1	-173.9	169.3	-123.5	0	0	0	112.5	E213 D216 N217 N248 R308 L309	E213-Y250 HydrophobicContact CB-CD1 3.71Å; E213-Y250 HydrophobicContact CB-CD2 4.18Å; E213-Y250 HydrophobicContact CB-CE1 3.89Å; E213-Y250 HydrophobicContact CB-CE2 4.37Å; E213-Y250 HydrophobicContact CB-CG 3.83Å; E213-Y250 HydrophobicContact CG-CD1 3.73Å; E213-Y250 HydrophobicContact CG-CE1 4.32Å; E213-Y250 HydrophobicContact CG-CG 3.94Å; D216-Y250 HydrophobicContact CB-CD2 4.19Å; D216-Y250 WeakPolarHBondContact OD2-CD2 3.11Å; N217-Y250 PolarHBondContact OD1-N 3.47Å; N248-Y250 PolarHBondContact OD1-N 2.67Å; Y250-R308 HydrophobicContact CD2-CB 4.19Å; Y250-R308 HydrophobicContact CD2-CG 4.17Å; Y250-R308 HydrophobicContact CE1-CB 4.43Å; Y250-R308 HydrophobicContact CE1-CG 3.94Å; Y250-R308 HydrophobicContact CE2-CB 3.86Å; Y250-R308 HydrophobicContact CE2-CG 3.35Å; Y250-R308 CarbonylContact O-C 3.17Å; Y250-R308 WeakPolarHBondContact O-CB 3.21Å; Y250-R308 VanDerWaalsContact OH-CG 3.26Å; Y250-R308 WeakPolarHBondContact OH-CG 3.38Å; Y250-L309 VanDerWaalsContact O-CD2 3.29Å; Y250-L309 WeakPolarHBondContact O-CD2 3.5Å; Y250-L309 VanDerWaalsContact O-CG 3.31Å; Y250-L309 WeakPolarHBondContact O-CG 3.08Å; Y250-L309 PolarHBondContact O-N 2.85Å
251	D	98.2	Very high	97.2	Very high	60 Å²	60	64.9 Å²	64.9	32%	0.321	34%	0.336	S	S	.	.	S	Bend	trans	-135.5	22.7	-173.1	73.5	-4.1	0	0	0	113.9	N248 K253 R308	N248-D251 PolarHBondContact ND2-OD1 2.84Å; N248-D251 PolarHBondContact OD1-N 3.44Å; N248-D251 VanDerWaalsContact OD1-N 3.09Å; N248-D251 PolarHBondContact OD1-OD1 2.96Å; D251-K253 PolarHBondContact O-NZ 3.29Å; D251-R308 HydrophobicContact CB-CB 3.64Å; D251-R308 HydrophobicContact CB-CG 4.48Å
252	N	97.9	Very high	97.2	Very high	27 Å²	27	67.1 Å²	67.1	14%	0.144	35%	0.346	C	S	.	.			trans	-58.1	147.4	177.4	-154.2	-41.1	0	0	0	112	C241 N248 D254 C257 V258	C241-N252 WeakPolarHBondContact CA-ND2 3.24Å; N248-N252 WeakPolarHBondContact O-CB 3.28Å; N248-N252 PolarHBondContact O-ND2 3.1Å; N252-D254 WeakPolarHBondContact OD1-CB 3.1Å; N252-D254 PolarHBondContact OD1-N 3.4Å; N252-C257 VanDerWaalsContact CG-SG 3.58Å; N252-V258 WeakPolarHBondContact O-CG2 3.23Å
253	K	96.5	Very high	97.1	Very high	132 Å²	132	69.2 Å²	69.2	57%	0.574	35%	0.354	S	S	*	.			trans	-118.6	-4.9	-176.3	-59.9	-67.6	174.9	-88.3	0	112.8	D251 L255 R308	D251-K253 PolarHBondContact O-NZ 3.29Å; K253-L255 PolarHBondContact O-N 3.49Å; K253-R308 PolarHBondContact NZ-O 2.64Å
254	D	97.9	Very high	97.2	Very high	67 Å²	67	65 Å²	65	36%	0.358	32%	0.324	S	S	.	.			trans	-60.9	130.7	170.9	178.9	-85.5	0	0	0	110.3	H240 N252 E256 C257 V258	H240-D254 IonicContact ND1-OD1 3.68Å; N252-D254 WeakPolarHBondContact OD1-CB 3.1Å; N252-D254 PolarHBondContact OD1-N 3.4Å; D254-E256 PolarHBondContact O-N 3.38Å; D254-E256 PolarHBondContact OD1-N 2.81Å; D254-C257 HydrophobicContact CB-CB 3.82Å; D254-C257 PolarHBondContact O-N 3.06Å; D254-C257 PolarHBondContact OD1-N 2.84Å; D254-V258 WeakPolarHBondContact O-CB 3.3Å; D254-V258 VanDerWaalsContact O-CG2 3.26Å; D254-V258 WeakPolarHBondContact O-CG2 3.34Å; D254-V258 PolarHBondContact O-N 3.04Å
255	L	97	Very high	97.5	Very high	145 Å²	145	56.9 Å²	56.9	76%	0.759	29%	0.289	S	S	*	.	H	α-helix	trans	-66.1	-38.3	-171.8	-69.6	172.5	0	0	0	112.5	K253 T259	K253-L255 PolarHBondContact O-N 3.49Å; L255-T259 WeakPolarHBondContact O-CB 3.33Å; L255-T259 PolarHBondContact O-N 3.33Å; L255-T259 PolarHBondContact O-OG1 2.66Å
256	E	98	Very high	97.7	Very high	101 Å²	101	53.9 Å²	53.9	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-73.8	-40.1	178.4	-71.1	-66.2	175	0	0	110.3	H240 D254 V258 T259 N260	H240-E256 HydrophobicContact CB-CB 4.1Å; D254-E256 PolarHBondContact O-N 3.38Å; D254-E256 PolarHBondContact OD1-N 2.81Å; E256-V258 PolarHBondContact O-N 3.12Å; E256-T259 PolarHBondContact O-N 2.94Å; E256-N260 WeakPolarHBondContact O-CB 3.49Å; E256-N260 VanDerWaalsContact O-CG 3.22Å; E256-N260 PolarHBondContact O-N 2.93Å; E256-N260 PolarHBondContact O-ND2 2.85Å
257	C	98.4	Very high	97.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-49.5	172.4	-179.9	0	0	0	0	111.8	H240 C241 N252 D254 T259 N260 L261	H240-C257 HydrophobicContact CB-CB 3.99Å; C241-C257 WeakPolarHBondContact CA-SG 3.39Å; C241-C257 HydrophobicContact CB-CB 4.11Å; C241-C257 WeakPolarHBondContact CB-SG 3.41Å; C241-C257 WeakPolarHBondContact SG-CA 3.18Å; C241-C257 WeakPolarHBondContact SG-CB 3.3Å; C241-C257 CovalentContact SG-SG 2.04Å; C241-C257 PolarHBondContact SG-SG 3.48Å; N252-C257 VanDerWaalsContact CG-SG 3.58Å; D254-C257 HydrophobicContact CB-CB 3.82Å; D254-C257 PolarHBondContact O-N 3.06Å; D254-C257 PolarHBondContact OD1-N 2.84Å; C257-T259 VanDerWaalsContact C-N 3.31Å; C257-T259 PolarHBondContact O-N 2.04Å; C257-N260 PolarHBondContact O-N 3.12Å; C257-L261 WeakPolarHBondContact O-CB 3.48Å; C257-L261 VanDerWaalsContact O-CG 3.3Å; C257-L261 WeakPolarHBondContact O-CG 3.49Å; C257-L261 PolarHBondContact O-N 2.88Å; C257-L261 WeakPolarHBondContact SG-CD1 3.25Å
258	V	98.2	Very high	97.6	Very high	17 Å²	17	46 Å²	46	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-40.4	177.9	170.8	0	0	0	0	111.3	N252 D254 E256 L261 Q262 P310 L311	N252-V258 WeakPolarHBondContact O-CG2 3.23Å; D254-V258 WeakPolarHBondContact O-CB 3.3Å; D254-V258 VanDerWaalsContact O-CG2 3.26Å; D254-V258 WeakPolarHBondContact O-CG2 3.34Å; D254-V258 PolarHBondContact O-N 3.04Å; E256-V258 PolarHBondContact O-N 3.12Å; V258-L261 PolarHBondContact O-N 3.48Å; V258-Q262 WeakPolarHBondContact O-CB 3.46Å; V258-Q262 PolarHBondContact O-N 2.97Å; V258-P310 HydrophobicContact CG1-CG 3.97Å; V258-P310 HydrophobicContact CG2-CG 3.75Å; V258-L311 HydrophobicContact CG1-CD2 4.18Å
259	T	98.1	Very high	97.2	Very high	87 Å²	87	45.4 Å²	45.4	53%	0.534	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-43.7	177.1	-60.6	0	0	0	0	111.5	L255 E256 C257 Q262 E263	L255-T259 WeakPolarHBondContact O-CB 3.33Å; L255-T259 PolarHBondContact O-N 3.33Å; L255-T259 PolarHBondContact O-OG1 2.66Å; E256-T259 PolarHBondContact O-N 2.94Å; C257-T259 VanDerWaalsContact C-N 3.31Å; C257-T259 PolarHBondContact O-N 2.04Å; T259-Q262 WeakPolarHBondContact O-CB 3.43Å; T259-Q262 PolarHBondContact O-N 3.41Å; T259-E263 PolarHBondContact O-N 2.76Å
260	N	98.6	Very high	96.7	Very high	18 Å²	18	47.8 Å²	47.8	10%	0.096	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-42.8	175.1	-68.2	-43.8	0	0	0	111.7	L233 S236 L237 E256 C257 Q262 E263 V264	L233-N260 HydrophobicContact CD1-CB 3.89Å; S236-N260 WeakPolarHBondContact CB-ND2 3.45Å; S236-N260 PolarHBondContact OG-ND2 3.3Å; S236-N260 PolarHBondContact OG-OD1 3.34Å; L237-N260 HydrophobicContact CD2-CB 3.58Å; L237-N260 HydrophobicContact CG-CB 3.97Å; E256-N260 WeakPolarHBondContact O-CB 3.49Å; E256-N260 VanDerWaalsContact O-CG 3.22Å; E256-N260 PolarHBondContact O-N 2.93Å; E256-N260 PolarHBondContact O-ND2 2.85Å; C257-N260 PolarHBondContact O-N 3.12Å; N260-Q262 VanDerWaalsContact C-N 3.29Å; N260-Q262 PolarHBondContact O-N 3.13Å; N260-E263 WeakPolarHBondContact O-CB 3.24Å; N260-E263 PolarHBondContact O-N 3.3Å; N260-E263 VanDerWaalsContact O-N 3.09Å; N260-V264 WeakPolarHBondContact O-CG2 3.34Å; N260-V264 PolarHBondContact O-N 2.88Å
261	L	98.4	Very high	96.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.1	-28.9	178.6	-71.8	167.6	0	0	0	112.6	V220 L237 F249 C257 V258 E263 V264 A265 L309	V220-L261 HydrophobicContact CG1-CD2 4.46Å; V220-L261 HydrophobicContact CG2-CD2 3.72Å; L237-L261 HydrophobicContact CD2-CD2 3.83Å; L237-L261 HydrophobicContact CD2-CG 3.97Å; F249-L261 HydrophobicContact CB-CD1 4.34Å; F249-L261 HydrophobicContact CB-CD2 3.88Å; F249-L261 HydrophobicContact CD1-CD1 4.3Å; F249-L261 HydrophobicContact CD1-CD2 3.75Å; F249-L261 HydrophobicContact CD1-CG 4.43Å; F249-L261 HydrophobicContact CG-CD2 4.13Å; C257-L261 WeakPolarHBondContact O-CB 3.48Å; C257-L261 VanDerWaalsContact O-CG 3.3Å; C257-L261 WeakPolarHBondContact O-CG 3.49Å; C257-L261 PolarHBondContact O-N 2.88Å; C257-L261 WeakPolarHBondContact SG-CD1 3.25Å; V258-L261 PolarHBondContact O-N 3.48Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-V264 PolarHBondContact O-N 3.36Å; L261-A265 WeakPolarHBondContact O-CB 3.26Å; L261-A265 PolarHBondContact O-N 3.1Å; L261-L309 HydrophobicContact CB-CD1 3.64Å; L261-L309 HydrophobicContact CD1-CD1 3.57Å; L261-L309 HydrophobicContact CD1-CD2 3.86Å; L261-L309 HydrophobicContact CD1-CG 4.39Å; L261-L309 HydrophobicContact CG-CD1 4.09Å
262	Q	97.3	Very high	96.1	Very high	51 Å²	51	47.2 Å²	47.2	24%	0.238	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-41.3	169	-174.5	73.7	62.7	0	0	111.3	V258 T259 N260 A265 R266 L311 K312	V258-Q262 WeakPolarHBondContact O-CB 3.46Å; V258-Q262 PolarHBondContact O-N 2.97Å; T259-Q262 WeakPolarHBondContact O-CB 3.43Å; T259-Q262 PolarHBondContact O-N 3.41Å; N260-Q262 VanDerWaalsContact C-N 3.29Å; N260-Q262 PolarHBondContact O-N 3.13Å; Q262-A265 PolarHBondContact O-N 2.93Å; Q262-R266 PolarHBondContact O-N 3.34Å; Q262-L311 HydrophobicContact CB-CD2 4Å; Q262-L311 VanDerWaalsContact OE1-CB 3.3Å; Q262-K312 PolarHBondContact NE2-O 2.83Å
263	E	97.8	Very high	95.9	Very high	69 Å²	69	48.3 Å²	48.3	32%	0.322	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-38.7	176.1	179.2	59.7	-172.7	0	0	111.7	L233 T259 N260 L261 A265 R266 I267	L233-E263 HydrophobicContact CD2-CG 3.95Å; T259-E263 PolarHBondContact O-N 2.76Å; N260-E263 WeakPolarHBondContact O-CB 3.24Å; N260-E263 PolarHBondContact O-N 3.3Å; N260-E263 VanDerWaalsContact O-N 3.09Å; L261-E263 VanDerWaalsContact C-N 3.31Å; E263-A265 PolarHBondContact O-N 2.92Å; E263-R266 PolarHBondContact O-N 2.83Å; E263-R266 IonicContact OE1-CZ 2.78Å; E263-R266 IonicContact OE1-NE 3.71Å; E263-R266 PolarHBondContact OE1-NE 3.48Å; E263-R266 IonicContact OE1-NH2 2.82Å; E263-R266 PolarHBondContact OE1-NH2 2.86Å; E263-R266 IonicContact OE2-CZ 3.27Å; E263-R266 IonicContact OE2-NE 3.51Å; E263-R266 PolarHBondContact OE2-NE 3.4Å; E263-R266 IonicContact OE2-NH2 3.38Å; E263-I267 HydrophobicContact CG-CD1 3.96Å; E263-I267 HydrophobicContact CG-CG1 4.49Å; E263-I267 WeakPolarHBondContact O-CG1 3.39Å; E263-I267 PolarHBondContact O-N 2.74Å
264	V	98.3	Very high	95.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-49.2	172.1	176.9	0	0	0	0	110.9	V220 L229 L233 L237 N260 L261 R266 I267 V268 F306	V220-V264 HydrophobicContact CG1-CG2 4.47Å; V220-V264 HydrophobicContact CG2-CG1 4.23Å; L229-V264 HydrophobicContact CD1-CG1 4.36Å; L229-V264 HydrophobicContact CD1-CG2 3.83Å; L229-V264 HydrophobicContact CD2-CG1 4.45Å; L229-V264 HydrophobicContact CD2-CG2 4.13Å; L233-V264 HydrophobicContact CD2-CG2 4.28Å; L237-V264 HydrophobicContact CD1-CG2 3.77Å; L237-V264 HydrophobicContact CD2-CG2 4.29Å; N260-V264 WeakPolarHBondContact O-CG2 3.34Å; N260-V264 PolarHBondContact O-N 2.88Å; L261-V264 PolarHBondContact O-N 3.36Å; V264-R266 VanDerWaalsContact C-N 3.28Å; V264-R266 PolarHBondContact O-N 3.45Å; V264-I267 PolarHBondContact O-N 3.37Å; V264-V268 HydrophobicContact CG1-CG2 4.2Å; V264-V268 WeakPolarHBondContact O-CB 3.13Å; V264-V268 WeakPolarHBondContact O-CG2 3.46Å; V264-V268 PolarHBondContact O-N 2.87Å; V264-F306 HydrophobicContact CG1-CZ 4.3Å
265	A	96.3	Very high	95.9	Very high	17 Å²	17	40.3 Å²	40.3	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-58.2	-42	177.6	0	0	0	0	0	111.8	L261 Q262 E263 G269 F306 L311	L261-A265 WeakPolarHBondContact O-CB 3.26Å; L261-A265 PolarHBondContact O-N 3.1Å; Q262-A265 PolarHBondContact O-N 2.93Å; E263-A265 PolarHBondContact O-N 2.92Å; A265-G269 PolarHBondContact O-N 3.45Å; A265-F306 HydrophobicContact CB-CD2 3.75Å; A265-F306 HydrophobicContact CB-CE2 3.94Å; A265-L311 HydrophobicContact CB-CD1 4.14Å
266	R	94.7	Very high	96	Very high	95 Å²	95	34.2 Å²	34.2	36%	0.358	19%	0.189	S	C	.	.	H	α-helix	trans	-63.2	-45.4	176.3	-168.2	-160.6	66.7	72.5	0.1	111.8	Q262 E263 V264 N270 S271	Q262-R266 PolarHBondContact O-N 3.34Å; E263-R266 PolarHBondContact O-N 2.83Å; E263-R266 IonicContact OE1-CZ 2.78Å; E263-R266 IonicContact OE1-NE 3.71Å; E263-R266 PolarHBondContact OE1-NE 3.48Å; E263-R266 IonicContact OE1-NH2 2.82Å; E263-R266 PolarHBondContact OE1-NH2 2.86Å; E263-R266 IonicContact OE2-CZ 3.27Å; E263-R266 IonicContact OE2-NE 3.51Å; E263-R266 PolarHBondContact OE2-NE 3.4Å; E263-R266 IonicContact OE2-NH2 3.38Å; V264-R266 VanDerWaalsContact C-N 3.28Å; V264-R266 PolarHBondContact O-N 3.45Å; R266-N270 HydrophobicContact CG-CB 4.33Å; R266-N270 CarbonylContact O-C 2.98Å; R266-N270 VanDerWaalsContact O-CA 3.25Å; R266-N270 WeakPolarHBondContact O-CA 3.26Å; R266-N270 PolarHBondContact O-N 3.46Å; R266-S271 PolarHBondContact O-N 2.94Å; R266-S271 VanDerWaalsContact O-N 3.15Å
267	I	96	Very high	96	Very high	22 Å²	22	30.3 Å²	30.3	11%	0.113	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-49.5	178.4	-69.5	166.4	0	0	0	110.3	L228 L229 L233 E263 V264 S271 L273	L228-I267 HydrophobicContact CB-CG2 4.05Å; L229-I267 HydrophobicContact CD2-CB 4.44Å; L229-I267 HydrophobicContact CD2-CD1 3.8Å; L229-I267 HydrophobicContact CD2-CG2 4.26Å; L233-I267 HydrophobicContact CD2-CD1 3.97Å; E263-I267 HydrophobicContact CG-CD1 3.96Å; E263-I267 HydrophobicContact CG-CG1 4.49Å; E263-I267 WeakPolarHBondContact O-CG1 3.39Å; E263-I267 PolarHBondContact O-N 2.74Å; V264-I267 PolarHBondContact O-N 3.37Å; I267-S271 WeakPolarHBondContact O-CB 3.38Å; I267-S271 PolarHBondContact O-OG 2.74Å; I267-L273 HydrophobicContact CG2-CD1 4.41Å
268	V	95.7	Very high	96	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-69.6	-44.3	-173.8	171.5	0	0	0	0	112.4	L219 A223 V264 I275 M402	L219-V268 HydrophobicContact CD1-CG1 4.15Å; L219-V268 HydrophobicContact CD2-CG1 4.36Å; A223-V268 HydrophobicContact CB-CG2 3.98Å; V264-V268 HydrophobicContact CG1-CG2 4.2Å; V264-V268 WeakPolarHBondContact O-CB 3.13Å; V264-V268 WeakPolarHBondContact O-CG2 3.46Å; V264-V268 PolarHBondContact O-N 2.87Å; V268-I275 HydrophobicContact CG1-CD1 3.81Å; V268-I275 HydrophobicContact CG1-CG1 3.87Å; V268-M402 HydrophobicContact CG1-CB 4.27Å; V268-M402 HydrophobicContact CG1-CE 4.37Å; V268-M402 HydrophobicContact CG1-SD 4.34Å
269	G	90.6	Very high	96	Very high	37 Å²	37	37.9 Å²	37.9	38%	0.381	20%	0.2	S	C	.	.	H	α-helix	trans	-112.2	-12.6	-170.1	0	0	0	0	0	116	A265	A265-G269 PolarHBondContact O-N 3.45Å
270	N	88.9	Confident	96	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.262	19%	0.188	S	C	.	.	S	Bend	trans	-138.6	30	-170.1	-53.7	115.7	0	0	0	113.6	R266 H289	R266-N270 HydrophobicContact CG-CB 4.33Å; R266-N270 CarbonylContact O-C 2.98Å; R266-N270 VanDerWaalsContact O-CA 3.25Å; R266-N270 WeakPolarHBondContact O-CA 3.26Å; R266-N270 PolarHBondContact O-N 3.46Å; N270-H289 PolarHBondContact ND2-ND1 2.87Å; N270-H289 PolarHBondContact OD1-ND1 3.03Å
271	S	91.1	Very high	95.9	Very high	38 Å²	38	39.9 Å²	39.9	27%	0.266	22%	0.219	S	C	.	.	S	Bend	trans	-118.8	1.4	177.5	74.7	0	0	0	0	113.9	R266 I267 V286	R266-S271 PolarHBondContact O-N 2.94Å; R266-S271 VanDerWaalsContact O-N 3.15Å; I267-S271 WeakPolarHBondContact O-CB 3.38Å; I267-S271 PolarHBondContact O-OG 2.74Å; S271-V286 WeakPolarHBondContact O-CG1 3.36Å
272	G	91.4	Very high	95.6	Very high	17 Å²	17	40.6 Å²	40.6	18%	0.175	22%	0.224	C	C	.	.	S	Bend	trans	91.5	0.2	-173.2	0	0	0	0	0	115.2	C282	G272-C282 WeakPolarHBondContact O-CB 3.29Å
273	L	95.3	Very high	95.3	Very high	49 Å²	49	40 Å²	40	26%	0.257	23%	0.227	S	C	.	.			trans	-66.8	144.9	164.2	-67.7	178.8	0	0	0	110.7	L228 I267 I275 L278 C332 M402	L228-L273 HydrophobicContact CD1-CD1 3.98Å; L228-L273 HydrophobicContact CD2-CD1 3.94Å; L228-L273 HydrophobicContact CG-CD1 4.42Å; I267-L273 HydrophobicContact CG2-CD1 4.41Å; L273-I275 PolarHBondContact O-N 3.1Å; L273-L278 HydrophobicContact CD1-CD1 4.3Å; L273-L278 HydrophobicContact CD2-CD1 4.19Å; L273-C332 PolarHBondContact O-SG 2.86Å; L273-C332 VanDerWaalsContact O-SG 3.36Å; L273-M402 HydrophobicContact CB-CE 4.32Å
274	N	96.8	Very high	94.4	Very high	16 Å²	16	39.8 Å²	39.8	9%	0.086	24%	0.243	C	C	.	.			trans	-85.3	106.7	171.4	-175	-17.6	0	0	0	109.6	Y276 N277 L278 P281 C282 C332	N274-Y276 PolarHBondContact O-N 2.84Å; N274-Y276 WeakPolarHBondContact OD1-CB 3.46Å; N274-Y276 PolarHBondContact OD1-N 3.34Å; N274-N277 WeakPolarHBondContact CB-O 3.22Å; N274-N277 CarbonylContact O-C 3.54Å; N274-N277 PolarHBondContact O-N 2.98Å; N274-N277 PolarHBondContact OD1-N 3.16Å; N274-L278 PolarHBondContact O-N 2.85Å; N274-P281 PolarHBondContact ND2-O 3.31Å; N274-C282 HydrophobicContact CB-CB 4.34Å; N274-C332 HydrophobicContact CB-CB 3.94Å; N274-C332 VanDerWaalsContact CG-CB 3.5Å
275	I	97.3	Very high	93.4	Very high	15 Å²	15	41.6 Å²	41.6	8%	0.077	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.1	-179.5	-160.6	174.4	0	0	0	113	V268 L273 I305 P331 M402 A403	V268-I275 HydrophobicContact CG1-CD1 3.81Å; V268-I275 HydrophobicContact CG1-CG1 3.87Å; L273-I275 PolarHBondContact O-N 3.1Å; I275-I305 HydrophobicContact CD1-CD1 3.56Å; I275-P331 HydrophobicContact CG2-CB 3.36Å; I275-P331 HydrophobicContact CG2-CG 3.83Å; I275-M402 HydrophobicContact CG1-CB 3.75Å; I275-M402 WeakPolarHBondContact O-CA 3.4Å; I275-M402 VanDerWaalsContact O-CB 3.32Å; I275-M402 WeakPolarHBondContact O-CB 3.28Å; I275-M402 PolarHBondContact O-N 3.33Å; I275-A403 HydrophobicContact CG1-CB 4.31Å; I275-A403 PolarHBondContact O-N 2.95Å
276	Y	98.1	Very high	92.1	Very high	17 Å²	17	46.4 Å²	46.4	7%	0.067	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-20.9	177.4	-68.7	-27.6	0	0	0	113.4	N274 L302 P330 P331 T333 A403 G457 H458	N274-Y276 PolarHBondContact O-N 2.84Å; N274-Y276 WeakPolarHBondContact OD1-CB 3.46Å; N274-Y276 PolarHBondContact OD1-N 3.34Å; Y276-L302 WeakPolarHBondContact OH-CD1 3.26Å; Y276-P330 HydrophobicContact CE2-CB 3.65Å; Y276-P331 HydrophobicContact CD2-CB 4.35Å; Y276-P331 VanDerWaalsContact CD2-O 3.31Å; Y276-P331 WeakPolarHBondContact CD2-O 3.47Å; Y276-P331 HydrophobicContact CE1-CG 4.33Å; Y276-P331 HydrophobicContact CE2-CB 4.1Å; Y276-P331 HydrophobicContact CE2-CG 4.09Å; Y276-P331 WeakPolarHBondContact OH-CD 3.34Å; Y276-T333 HydrophobicContact CD2-CG2 4.09Å; Y276-T333 HydrophobicContact CE2-CG2 4.22Å; Y276-A403 HydrophobicContact CD1-CB 3.61Å; Y276-A403 HydrophobicContact CE1-CB 3.57Å; Y276-G457 CarbonylContact O-C 3.52Å; Y276-G457 WeakPolarHBondContact O-CA 3.37Å; Y276-H458 HydrophobicContact CD1-CB 3.53Å; Y276-H458 AromaticContact CD1-CD2 3.6Å; Y276-H458 AromaticContact CD1-CG 3.47Å; Y276-H458 VanDerWaalsContact CD1-CG 3.47Å; Y276-H458 HydrophobicContact CE1-CB 4.3Å; Y276-H458 AromaticContact CE1-CD2 3.43Å; Y276-H458 VanDerWaalsContact CE1-CD2 3.43Å; Y276-H458 WeakPolarHBondContact CE1-CD2 3.35Å; Y276-H458 AromaticContact CE1-CG 3.77Å; Y276-H458 AromaticContact CE1-NE2 3.71Å; Y276-H458 HydrophobicContact CG-CB 3.72Å; Y276-H458 AromaticContact CZ-CD2 3.94Å; Y276-H458 PolarHBondContact O-N 3.21Å
277	N	98.6	Very high	90.6	Very high	20 Å²	20	43 Å²	43	11%	0.107	28%	0.28	C	S	.	.			trans	-156.1	103	173.7	-175.1	-38.1	0	0	0	108.5	N274 Y279 A280 V400 D463	N274-N277 WeakPolarHBondContact CB-O 3.22Å; N274-N277 CarbonylContact O-C 3.54Å; N274-N277 PolarHBondContact O-N 2.98Å; N274-N277 PolarHBondContact OD1-N 3.16Å; N277-Y279 PolarHBondContact O-N 3.34Å; N277-Y279 PolarHBondContact OD1-N 2.99Å; N277-A280 HydrophobicContact CB-CB 3.7Å; N277-A280 PolarHBondContact O-N 2.88Å; N277-A280 PolarHBondContact OD1-N 2.9Å; N277-V400 WeakPolarHBondContact OD1-CG2 3.33Å; N277-D463 PolarHBondContact ND2-OD2 3Å
278	L	98.6	Very high	88.9	Confident	16 Å²	16	45.6 Å²	45.6	8%	0.084	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-31.5	-172.7	172.6	59.6	0	0	0	113.3	F222 H226 L228 L273 N274 V400 M402	F222-L278 HydrophobicContact CE1-CD2 4.09Å; H226-L278 HydrophobicContact CB-CD2 3.62Å; L228-L278 HydrophobicContact CD1-CD1 3.97Å; L228-L278 HydrophobicContact CD2-CD1 3.62Å; L228-L278 HydrophobicContact CD2-CD2 4.25Å; L228-L278 HydrophobicContact CG-CD1 4.4Å; L273-L278 HydrophobicContact CD1-CD1 4.3Å; L273-L278 HydrophobicContact CD2-CD1 4.19Å; N274-L278 PolarHBondContact O-N 2.85Å; L278-V400 PolarHBondContact N-O 3.27Å; L278-M402 HydrophobicContact CB-CE 4.26Å; L278-M402 HydrophobicContact CB-CG 4.48Å; L278-M402 HydrophobicContact CB-SD 4.28Å; L278-M402 HydrophobicContact CD1-CE 3.84Å; L278-M402 HydrophobicContact CD1-SD 3.95Å; L278-M402 HydrophobicContact CG-SD 4.47Å
279	Y	98.4	Very high	87.4	Confident	159 Å²	159	50.4 Å²	50.4	62%	0.624	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-1	-175.5	-54.6	-60.5	0	0	0	113.6	N277 V400	N277-Y279 PolarHBondContact O-N 3.34Å; N277-Y279 PolarHBondContact OD1-N 2.99Å; Y279-V400 HydrophobicContact CD2-CB 3.74Å; Y279-V400 HydrophobicContact CD2-CG1 3.58Å; Y279-V400 HydrophobicContact CD2-CG2 4.22Å; Y279-V400 HydrophobicContact CE2-CB 3.84Å; Y279-V400 HydrophobicContact CE2-CG1 3.41Å; Y279-V400 VanDerWaalsContact CE2-CG1 3.41Å
280	A	97.5	Very high	86.6	Confident	33 Å²	33	51.8 Å²	51.8	27%	0.273	32%	0.317	S	S	.	.	S	Bend	trans	-91.8	154.7	175.5	0	0	0	0	0	111.4	N277	N277-A280 HydrophobicContact CB-CB 3.7Å; N277-A280 PolarHBondContact O-N 2.88Å; N277-A280 PolarHBondContact OD1-N 2.9Å
281	P	96	Very high	86.1	Confident	115 Å²	115	51.5 Å²	51.5	75%	0.747	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-64.1	153.5	169.3	29	-35.1	0	0	0	111.1	N274	N274-P281 PolarHBondContact ND2-O 3.31Å
282	C	93.5	Very high	85.7	Confident	15 Å²	15	56.6 Å²	56.6	10%	0.101	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-88.5	116.9	169.2	-176.9	0	0	0	0	110.2	G272 N274 G284 G285 C332	G272-C282 WeakPolarHBondContact O-CB 3.29Å; N274-C282 HydrophobicContact CB-CB 4.34Å; C282-G284 PolarHBondContact O-N 3.48Å; C282-G285 PolarHBondContact O-N 3.28Å; C282-C332 HydrophobicContact CB-CB 3.78Å; C282-C332 WeakPolarHBondContact CB-SG 3.39Å; C282-C332 VanDerWaalsContact SG-CA 3.55Å; C282-C332 WeakPolarHBondContact SG-CB 3.22Å; C282-C332 CovalentContact SG-SG 2.04Å; C282-C332 PolarHBondContact SG-SG 2.97Å
283	A	90	Very high	85.2	Confident	37 Å²	37	58.5 Å²	58.5	31%	0.306	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	129.8	174.9	0	0	0	0	0	110.1	C332 N334	A283-C332 VanDerWaalsContact CB-O 3.29Å; A283-C332 WeakPolarHBondContact CB-O 3.12Å; A283-C332 PolarHBondContact N-O 2.86Å; A283-N334 HydrophobicContact CB-CB 4.13Å
284	G	79.8	Confident	84.7	Confident	65 Å²	65	65.2 Å²	65.2	67%	0.67	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-2.1	-171.1	0	0	0	0	0	114.6	C282	C282-G284 PolarHBondContact O-N 3.48Å
285	G	76.6	Confident	84.2	Confident	38 Å²	38	70.9 Å²	70.9	39%	0.392	39%	0.389	S	S	.	.			trans	79.7	-160	175.1	0	0	0	0	0	113	C282 P287	C282-G285 PolarHBondContact O-N 3.28Å; G285-P287 WeakPolarHBondContact O-CD 3.31Å; G285-P287 WeakPolarHBondContact O-CG 3.29Å
286	V	68.4	Low	83.7	Confident	119 Å²	119	71.5 Å²	71.5	72%	0.721	39%	0.393	S	S	*	.	S	Bend	trans	-76.3	102.5	177.9	178	0	0	0	0	109.5	S271	S271-V286 WeakPolarHBondContact O-CG1 3.36Å
287	P	63	Low	83.3	Confident	24 Å²	24	70.7 Å²	70.7	16%	0.156	39%	0.39	C	S	.	.			trans	-92.4	160.3	-176.7	4.7	18.3	0	0	0	110.9	G285	G285-P287 WeakPolarHBondContact O-CD 3.31Å; G285-P287 WeakPolarHBondContact O-CG 3.29Å
288	S	61.2	Low	82.9	Confident	76 Å²	76	69.8 Å²	69.8	53%	0.531	39%	0.385	S	S	.	.			trans	-77.3	-172.6	155.7	76.8	0	0	0	0	109.9	F290	S288-F290 PolarHBondContact O-N 3.33Å; S288-F290 PolarHBondContact OG-O 2.94Å
289	H	65	Low	82.6	Confident	103 Å²	103	69 Å²	69	48%	0.477	38%	0.382	S	S	.	.	S	Bend	trans	-57.2	-11.9	-179.1	-62.4	-67.7	0	0	0	115.7	N270 M314	N270-H289 PolarHBondContact ND2-ND1 2.87Å; N270-H289 PolarHBondContact OD1-ND1 3.03Å; H289-M314 HydrophobicContact CB-CE 3.47Å; H289-M314 VanDerWaalsContact CB-CE 3.47Å; H289-M314 WeakPolarHBondContact O-CE 3.47Å
290	F	72.4	Confident	82.2	Confident	66 Å²	66	62.6 Å²	62.6	29%	0.289	36%	0.357	S	S	.	.	S	Bend	trans	-150.1	164.2	172.2	59.2	-69.3	0	0	0	108.8	S288 Y292 V297 M314	S288-F290 PolarHBondContact O-N 3.33Å; S288-F290 PolarHBondContact OG-O 2.94Å; F290-Y292 HydrophobicContact CD2-CD2 4.48Å; F290-Y292 HydrophobicContact CD2-CE2 4.11Å; F290-Y292 HydrophobicContact CE2-CD2 4.16Å; F290-Y292 AromaticContact CE2-CE2 3.42Å; F290-Y292 HydrophobicContact CE2-CE2 3.42Å; F290-Y292 VanDerWaalsContact CE2-CE2 3.42Å; F290-Y292 AromaticContact CE2-CZ 3.77Å; F290-Y292 HydrophobicContact CZ-CE2 4.38Å; F290-V297 HydrophobicContact CB-CG1 4.34Å; F290-V297 HydrophobicContact CD2-CG1 4.05Å; F290-M314 HydrophobicContact CB-CE 3.9Å; F290-M314 HydrophobicContact CD1-CE 3.26Å; F290-M314 HydrophobicContact CD1-SD 4.28Å; F290-M314 HydrophobicContact CE1-CE 4.06Å; F290-M314 HydrophobicContact CG-CE 3.89Å
291	R	79.8	Confident	81.9	Confident	43 Å²	43	64.2 Å²	64.2	16%	0.162	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	150.6	170.3	67.5	-177.5	-174.9	94.5	0.3	110.1	E293 V298 D329	R291-E293 IonicContact CZ-OE1 2.77Å; R291-E293 IonicContact NH1-OE1 3.45Å; R291-E293 PolarHBondContact NH1-OE1 2.91Å; R291-E293 IonicContact NH2-OE1 3.37Å; R291-E293 PolarHBondContact NH2-OE1 3.23Å; R291-V298 HydrophobicContact CG-CB 3.73Å; R291-V298 HydrophobicContact CG-CG1 4.28Å; R291-V298 HydrophobicContact CG-CG2 4.35Å; R291-V298 PolarHBondContact N-O 3.11Å; R291-V298 PolarHBondContact O-N 2.82Å; R291-D329 IonicContact NH2-OD2 3.54Å; R291-D329 PolarHBondContact NH2-OD2 2.98Å
292	Y	82	Confident	81.7	Confident	145 Å²	145	59.3 Å²	59.3	57%	0.569	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.9	166.4	-74.1	-81.8	0	0	0	109.4	F290 T296 V297	F290-Y292 HydrophobicContact CD2-CD2 4.48Å; F290-Y292 HydrophobicContact CD2-CE2 4.11Å; F290-Y292 HydrophobicContact CE2-CD2 4.16Å; F290-Y292 AromaticContact CE2-CE2 3.42Å; F290-Y292 HydrophobicContact CE2-CE2 3.42Å; F290-Y292 VanDerWaalsContact CE2-CE2 3.42Å; F290-Y292 AromaticContact CE2-CZ 3.77Å; F290-Y292 HydrophobicContact CZ-CE2 4.38Å; Y292-T296 WeakPolarHBondContact CA-O 3.48Å; Y292-V297 HydrophobicContact CD1-CG2 4.13Å; Y292-V297 HydrophobicContact CE1-CG2 3.52Å
293	E	80.8	Confident	81.7	Confident	57 Å²	57	59.7 Å²	59.7	27%	0.266	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	100.2	166.1	-171.7	173.4	-93.9	0	0	107.9	R291 D295 T296 V298 R327	R291-E293 IonicContact CZ-OE1 2.77Å; R291-E293 IonicContact NH1-OE1 3.45Å; R291-E293 PolarHBondContact NH1-OE1 2.91Å; R291-E293 IonicContact NH2-OE1 3.37Å; R291-E293 PolarHBondContact NH2-OE1 3.23Å; E293-D295 PolarHBondContact O-N 2.94Å; E293-T296 PolarHBondContact N-O 2.84Å; E293-T296 PolarHBondContact O-N 3.26Å; E293-T296 VanDerWaalsContact O-N 3.11Å; E293-V298 HydrophobicContact CB-CG2 3.97Å; E293-R327 IonicContact OE1-NH2 3.67Å; E293-R327 IonicContact OE2-CZ 2.94Å; E293-R327 IonicContact OE2-NH1 3.75Å; E293-R327 PolarHBondContact OE2-NH1 3.19Å; E293-R327 VanDerWaalsContact OE2-NH1 3.09Å; E293-R327 IonicContact OE2-NH2 3.46Å; E293-R327 PolarHBondContact OE2-NH2 3.19Å
294	K	84.6	Confident	82.1	Confident	191 Å²	191	58.7 Å²	58.7	83%	0.83	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	-120.9	-164.5	-54.4	174.7	-178.9	172.9	0	109.6
295	D	86.6	Confident	82.9	Confident	135 Å²	135	57.3 Å²	57.3	72%	0.722	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	15	-178.6	-48.6	-36.7	0	0	0	112.6	E293	E293-D295 PolarHBondContact O-N 2.94Å
296	T	87.8	Confident	83.9	Confident	27 Å²	27	55.8 Å²	55.8	17%	0.166	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.1	-179.9	-58.2	0	0	0	0	110.5	Y292 E293 K325 R327	Y292-T296 WeakPolarHBondContact CA-O 3.48Å; E293-T296 PolarHBondContact N-O 2.84Å; E293-T296 PolarHBondContact O-N 3.26Å; E293-T296 VanDerWaalsContact O-N 3.11Å; T296-K325 CarbonylContact C-O 3.56Å; T296-K325 WeakPolarHBondContact CA-O 3.43Å; T296-K325 HydrophobicContact CG2-CB 4.25Å; T296-R327 HydrophobicContact CG2-CB 3.9Å
297	V	89.6	Confident	85.1	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	120.1	167.7	179.5	0	0	0	0	108.5	F290 Y292 V299 L319 D324 K325 V326 R327	F290-V297 HydrophobicContact CB-CG1 4.34Å; F290-V297 HydrophobicContact CD2-CG1 4.05Å; Y292-V297 HydrophobicContact CD1-CG2 4.13Å; Y292-V297 HydrophobicContact CE1-CG2 3.52Å; V297-V299 HydrophobicContact CG1-CG2 4.32Å; V297-L319 HydrophobicContact CG1-CD1 4.33Å; V297-L319 HydrophobicContact CG1-CD2 4.21Å; V297-D324 HydrophobicContact CG2-CB 4.25Å; V297-K325 PolarHBondContact N-O 2.97Å; V297-V326 WeakPolarHBondContact O-CA 3.42Å; V297-R327 PolarHBondContact O-N 2.77Å
298	V	89.8	Confident	86.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.9	175.2	-176.8	0	0	0	0	109.2	R291 E293 Q300 R327 D329	R291-V298 HydrophobicContact CG-CB 3.73Å; R291-V298 HydrophobicContact CG-CG1 4.28Å; R291-V298 HydrophobicContact CG-CG2 4.35Å; R291-V298 PolarHBondContact N-O 3.11Å; R291-V298 PolarHBondContact O-N 2.82Å; E293-V298 HydrophobicContact CB-CG2 3.97Å; V298-Q300 HydrophobicContact CG1-CG 4.11Å; V298-R327 WeakPolarHBondContact CA-O 3.49Å; V298-D329 HydrophobicContact CG1-CB 3.81Å; V298-D329 WeakPolarHBondContact CG1-OD2 3.27Å
299	V	90.9	Very high	88.2	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136.7	172.7	-179.8	0	0	0	0	108.6	V297 L319 V326 R327 M328 D329 F365	V297-V299 HydrophobicContact CG1-CG2 4.32Å; V299-L319 HydrophobicContact CG2-CD1 3.78Å; V299-V326 HydrophobicContact CG2-CG1 4.05Å; V299-R327 PolarHBondContact N-O 2.78Å; V299-M328 HydrophobicContact CG1-CE 4.12Å; V299-M328 VanDerWaalsContact O-CA 3.27Å; V299-M328 WeakPolarHBondContact O-CA 3.42Å; V299-D329 PolarHBondContact O-N 3.49Å; V299-D329 VanDerWaalsContact O-N 3.09Å; V299-F365 HydrophobicContact CB-CD2 4.42Å; V299-F365 HydrophobicContact CB-CE2 4.38Å; V299-F365 HydrophobicContact CG2-CD2 4.46Å; V299-F365 HydrophobicContact CG2-CE2 4.09Å
300	Q	90.2	Very high	89.5	Confident	23 Å²	23	51.2 Å²	51.2	11%	0.107	25%	0.25	C	C	.	.			trans	-123.3	-7.7	-178.7	-58.3	-179.2	-81.2	0	0	113.4	V298 L302 D329 P330 P331	V298-Q300 HydrophobicContact CG1-CG 4.11Å; Q300-L302 PolarHBondContact O-N 2.92Å; Q300-D329 VanDerWaalsContact CA-O 3.3Å; Q300-D329 WeakPolarHBondContact CA-O 3.38Å; Q300-D329 WeakPolarHBondContact CG-O 3.2Å; Q300-P330 PolarHBondContact NE2-O 2.81Å; Q300-P331 WeakPolarHBondContact O-CD 3.28Å; Q300-P331 WeakPolarHBondContact O-CG 3.4Å
301	D	91.3	Very high	90.2	Very high	67 Å²	67	49.1 Å²	49.1	36%	0.358	24%	0.242	S	C	.	.			trans	-77	112.7	172.3	-176.7	8.1	0	0	0	110	G303 M328	D301-G303 VanDerWaalsContact C-N 3.25Å; D301-G303 PolarHBondContact O-N 3.26Å; D301-G303 WeakPolarHBondContact OD1-CA 3.31Å; D301-G303 PolarHBondContact OD1-N 2.71Å; D301-M328 WeakPolarHBondContact O-CE 3.39Å
302	L	92.9	Very high	90.5	Very high	12 Å²	12	56 Å²	56	6%	0.063	27%	0.273	C	S	.	.			trans	-79.6	-5.6	176.5	-59.5	-179.8	0	0	0	113	Y276 Q300 M328 N368 R373	Y276-L302 WeakPolarHBondContact OH-CD1 3.26Å; Q300-L302 PolarHBondContact O-N 2.92Å; L302-M328 HydrophobicContact CD2-CE 4.42Å; L302-M328 HydrophobicContact CD2-CG 3.91Å; L302-M328 HydrophobicContact CD2-SD 3.45Å; L302-M328 WeakPolarHBondContact CD2-SD 3.32Å; L302-N368 PolarHBondContact O-ND2 2.89Å; L302-N368 PolarHBondContact O-OD1 2.92Å; L302-R373 PolarHBondContact O-NH2 2.88Å
303	G	93.9	Very high	90.5	Very high	24 Å²	24	54.6 Å²	54.6	25%	0.247	27%	0.267	C	S	.	.	S	Bend	trans	78.1	28.3	170.1	0	0	0	0	0	115.4	D301 T307 R373	D301-G303 VanDerWaalsContact C-N 3.25Å; D301-G303 PolarHBondContact O-N 3.26Å; D301-G303 WeakPolarHBondContact OD1-CA 3.31Å; D301-G303 PolarHBondContact OD1-N 2.71Å; G303-T307 VanDerWaalsContact O-CG2 3.24Å; G303-T307 WeakPolarHBondContact O-CG2 3.13Å; G303-R373 PolarHBondContact O-NE 3.42Å; G303-R373 PolarHBondContact O-NH2 2.86Å
304	N	96.6	Very high	90.4	Very high	16 Å²	16	54.5 Å²	54.5	9%	0.086	27%	0.267	C	S	.	.			trans	-106.7	-16.2	-176.6	-60.6	-32	0	0	0	114.6	G103 L209 Y212 R373	G103-N304 PolarHBondContact O-ND2 3.44Å; L209-N304 HydrophobicContact CD2-CB 3.95Å; Y212-N304 WeakPolarHBondContact CD1-O 3.44Å; Y212-N304 HydrophobicContact CE1-CB 4.46Å; Y212-N304 WeakPolarHBondContact CE1-O 3.14Å; N304-R373 PolarHBondContact OD1-NE 3.09Å; N304-R373 PolarHBondContact OD1-NH2 2.98Å
305	I	96.9	Very high	90	Very high	35 Å²	35	53.6 Å²	53.6	18%	0.179	26%	0.258	C	S	.	.	S	Bend	trans	-105.8	139.5	-173.4	-56.8	173.1	0	0	0	109.9	L219 I275 T307 R313 A403	L219-I305 HydrophobicContact CD2-CD1 4.39Å; L219-I305 HydrophobicContact CD2-CG2 3.56Å; I275-I305 HydrophobicContact CD1-CD1 3.56Å; I305-T307 PolarHBondContact O-N 3.34Å; I305-R313 PolarHBondContact O-NH2 3.17Å; I305-A403 HydrophobicContact CD1-CB 4.49Å
306	F	97.2	Very high	89.7	Confident	7 Å²	7	48.8 Å²	48.8	3%	0.031	23%	0.231	C	C	.	.	S	Bend	trans	57.1	27.7	179.8	-60.5	-46.8	0	0	0	114.2	D216 L219 V220 V264 A265 R308 L309 L311 R313	D216-F306 HydrophobicContact CB-CD1 3.94Å; D216-F306 HydrophobicContact CB-CE1 4.04Å; D216-F306 VanDerWaalsContact CG-N 3.27Å; D216-F306 PolarHBondContact OD1-N 2.85Å; D216-F306 WeakPolarHBondContact OD2-CA 3.22Å; D216-F306 PolarHBondContact OD2-N 3.41Å; D216-F306 VanDerWaalsContact OD2-N 3.1Å; L219-F306 HydrophobicContact CD2-CE2 4.19Å; L219-F306 HydrophobicContact CD2-CZ 3.93Å; L219-F306 HydrophobicContact CG-CZ 4.41Å; V220-F306 HydrophobicContact CG2-CE1 3.97Å; V220-F306 HydrophobicContact CG2-CZ 3.95Å; V264-F306 HydrophobicContact CG1-CZ 4.3Å; A265-F306 HydrophobicContact CB-CD2 3.75Å; A265-F306 HydrophobicContact CB-CE2 3.94Å; F306-R308 PolarHBondContact O-N 2.67Å; F306-R308 VanDerWaalsContact O-N 3.08Å; F306-L309 HydrophobicContact CB-CB 4.43Å; F306-L309 HydrophobicContact CB-CD1 3.9Å; F306-L309 HydrophobicContact CB-CG 4.32Å; F306-L309 HydrophobicContact CD1-CD1 3.7Å; F306-L309 HydrophobicContact CG-CD1 3.92Å; F306-L309 PolarHBondContact O-N 3.07Å; F306-L309 VanDerWaalsContact O-N 3.11Å; F306-L311 HydrophobicContact CB-CD1 3.71Å; F306-L311 HydrophobicContact CD2-CD1 4.34Å; F306-L311 HydrophobicContact CG-CD1 4.3Å; F306-R313 PolarHBondContact O-NH2 3.29Å
307	T	94.8	Very high	89.2	Confident	41 Å²	41	51.4 Å²	51.4	25%	0.252	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27	-170.2	59.9	0	0	0	0	113.7	Y212 G303 I305	Y212-T307 HydrophobicContact CD1-CG2 4.24Å; Y212-T307 HydrophobicContact CE1-CG2 4.1Å; G303-T307 VanDerWaalsContact O-CG2 3.24Å; G303-T307 WeakPolarHBondContact O-CG2 3.13Å; I305-T307 PolarHBondContact O-N 3.34Å
308	R	95.9	Very high	88.6	Confident	103 Å²	103	53 Å²	53	39%	0.389	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-6.6	-179	-62.4	-55.6	-175.8	175.2	-8.7	115.4	Y250 D251 K253 F306	Y250-R308 HydrophobicContact CD2-CB 4.19Å; Y250-R308 HydrophobicContact CD2-CG 4.17Å; Y250-R308 HydrophobicContact CE1-CB 4.43Å; Y250-R308 HydrophobicContact CE1-CG 3.94Å; Y250-R308 HydrophobicContact CE2-CB 3.86Å; Y250-R308 HydrophobicContact CE2-CG 3.35Å; Y250-R308 CarbonylContact O-C 3.17Å; Y250-R308 WeakPolarHBondContact O-CB 3.21Å; Y250-R308 VanDerWaalsContact OH-CG 3.26Å; Y250-R308 WeakPolarHBondContact OH-CG 3.38Å; D251-R308 HydrophobicContact CB-CB 3.64Å; D251-R308 HydrophobicContact CB-CG 4.48Å; K253-R308 PolarHBondContact NZ-O 2.64Å; F306-R308 PolarHBondContact O-N 2.67Å; F306-R308 VanDerWaalsContact O-N 3.08Å
309	L	93.3	Very high	88.2	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	-78.4	140	172.1	-66.1	-177	0	0	0	110.3	Y250 L261 F306 L311	Y250-L309 VanDerWaalsContact O-CD2 3.29Å; Y250-L309 WeakPolarHBondContact O-CD2 3.5Å; Y250-L309 VanDerWaalsContact O-CG 3.31Å; Y250-L309 WeakPolarHBondContact O-CG 3.08Å; Y250-L309 PolarHBondContact O-N 2.85Å; L261-L309 HydrophobicContact CB-CD1 3.64Å; L261-L309 HydrophobicContact CD1-CD1 3.57Å; L261-L309 HydrophobicContact CD1-CD2 3.86Å; L261-L309 HydrophobicContact CD1-CG 4.39Å; L261-L309 HydrophobicContact CG-CD1 4.09Å; F306-L309 HydrophobicContact CB-CB 4.43Å; F306-L309 HydrophobicContact CB-CD1 3.9Å; F306-L309 HydrophobicContact CB-CG 4.32Å; F306-L309 HydrophobicContact CD1-CD1 3.7Å; F306-L309 HydrophobicContact CG-CD1 3.92Å; F306-L309 PolarHBondContact O-N 3.07Å; F306-L309 VanDerWaalsContact O-N 3.11Å; L309-L311 HydrophobicContact CB-CD1 4.25Å; L309-L311 HydrophobicContact CB-CD2 3.97Å; L309-L311 HydrophobicContact CB-CG 3.65Å; L309-L311 HydrophobicContact CD1-CD1 4.34Å; L309-L311 HydrophobicContact CD1-CD2 4.18Å; L309-L311 HydrophobicContact CD1-CG 4.35Å; L309-L311 PolarHBondContact O-N 2.95Å
310	P	91.9	Very high	87.7	Confident	77 Å²	77	57.8 Å²	57.8	50%	0.5	28%	0.28	S	S	.	.			trans	-77.3	55.2	174.4	33.5	-34.3	0	0	0	111.3	V258	V258-P310 HydrophobicContact CG1-CG 3.97Å; V258-P310 HydrophobicContact CG2-CG 3.75Å
311	L	88	Confident	87.3	Confident	22 Å²	22	65.7 Å²	65.7	12%	0.115	31%	0.309	C	S	.	.			trans	-73.6	148.6	179.6	-61.3	-174.9	0	0	0	111.4	V258 Q262 A265 F306 L309 R313	V258-L311 HydrophobicContact CG1-CD2 4.18Å; Q262-L311 HydrophobicContact CB-CD2 4Å; Q262-L311 VanDerWaalsContact OE1-CB 3.3Å; A265-L311 HydrophobicContact CB-CD1 4.14Å; F306-L311 HydrophobicContact CB-CD1 3.71Å; F306-L311 HydrophobicContact CD2-CD1 4.34Å; F306-L311 HydrophobicContact CG-CD1 4.3Å; L309-L311 HydrophobicContact CB-CD1 4.25Å; L309-L311 HydrophobicContact CB-CD2 3.97Å; L309-L311 HydrophobicContact CB-CG 3.65Å; L309-L311 HydrophobicContact CD1-CD1 4.34Å; L309-L311 HydrophobicContact CD1-CD2 4.18Å; L309-L311 HydrophobicContact CD1-CG 4.35Å; L309-L311 PolarHBondContact O-N 2.95Å; L311-R313 HydrophobicContact CB-CG 4.46Å; L311-R313 PolarHBondContact O-N 2.88Å
312	K	84.9	Confident	86.8	Confident	189 Å²	189	65.5 Å²	65.5	82%	0.822	31%	0.313	S	S	*	.			trans	-72.2	111.8	165.7	-64.7	-179	-176.2	174.9	0	107.6	Q262	Q262-K312 PolarHBondContact NE2-O 2.83Å
313	R	82.6	Confident	86.2	Confident	115 Å²	115	68.3 Å²	68.3	43%	0.434	35%	0.345	S	S	.	.			trans	-112.7	159.3	177.9	-68.5	-174	171.3	118.3	4.8	111.1	I305 F306 L311	I305-R313 PolarHBondContact O-NH2 3.17Å; F306-R313 PolarHBondContact O-NH2 3.29Å; L311-R313 HydrophobicContact CB-CG 4.46Å; L311-R313 PolarHBondContact O-N 2.88Å
314	M	78.4	Confident	85.8	Confident	54 Å²	54	70.9 Å²	70.9	27%	0.266	35%	0.353	S	S	.	.			trans	-61	140.1	168.7	-173.1	-174.9	-55.3	0	0	110.2	H289 F290 H316 L319	H289-M314 HydrophobicContact CB-CE 3.47Å; H289-M314 VanDerWaalsContact CB-CE 3.47Å; H289-M314 WeakPolarHBondContact O-CE 3.47Å; F290-M314 HydrophobicContact CB-CE 3.9Å; F290-M314 HydrophobicContact CD1-CE 3.26Å; F290-M314 HydrophobicContact CD1-SD 4.28Å; F290-M314 HydrophobicContact CE1-CE 4.06Å; F290-M314 HydrophobicContact CG-CE 3.89Å; M314-H316 VanDerWaalsContact C-N 3.28Å; M314-H316 PolarHBondContact O-N 3.09Å; M314-L319 HydrophobicContact SD-CD1 4.25Å
315	W	77.7	Confident	85.3	Confident	173 Å²	173	77.2 Å²	77.2	66%	0.655	38%	0.38	S	S	*	.			trans	-80.9	75.7	176.8	-165	18.5	0	0	0	110.8	Q317 A318	W315-Q317 PolarHBondContact O-N 3.33Å; W315-Q317 VanDerWaalsContact O-N 3.1Å; W315-A318 HydrophobicContact CB-CB 4.29Å; W315-A318 HydrophobicContact CD2-CB 3.88Å; W315-A318 HydrophobicContact CE3-CB 3.84Å; W315-A318 HydrophobicContact CG-CB 4.08Å; W315-A318 VanDerWaalsContact O-CB 3.28Å; W315-A318 WeakPolarHBondContact O-CB 3.36Å; W315-A318 PolarHBondContact O-N 3.4Å
316	H	79.9	Confident	85	Confident	33 Å²	33	77.3 Å²	77.3	15%	0.153	38%	0.381	C	S	.	.	H	α-helix	trans	-56.5	-29.2	-177.4	-65.1	-60.8	0	0	0	113.7	M314 A318 L319 F365 L369	M314-H316 VanDerWaalsContact C-N 3.28Å; M314-H316 PolarHBondContact O-N 3.09Å; H316-A318 PolarHBondContact O-N 3.26Å; H316-L319 WeakPolarHBondContact O-CB 3.47Å; H316-L319 PolarHBondContact O-N 3.4Å; H316-L319 VanDerWaalsContact O-N 3.13Å; H316-F365 HydrophobicContact CB-CZ 4.37Å; H316-L369 HydrophobicContact CB-CD1 3.83Å
317	Q	76.2	Confident	84.7	Confident	82 Å²	82	78.9 Å²	78.9	38%	0.383	39%	0.387	S	S	.	.	H	α-helix	trans	-63.8	-24.9	174.5	-67.9	-68.1	-19.7	0	0	113.4	W315 L319	W315-Q317 PolarHBondContact O-N 3.33Å; W315-Q317 VanDerWaalsContact O-N 3.1Å; Q317-L319 VanDerWaalsContact C-N 3.35Å
318	A	78.3	Confident	84.6	Confident	35 Å²	35	77 Å²	77	29%	0.289	38%	0.376	S	S	.	.	H	α-helix	trans	-73.5	-28	175.4	0	0	0	0	0	112.2	W315 H316 L320 R321 S322	W315-A318 HydrophobicContact CB-CB 4.29Å; W315-A318 HydrophobicContact CD2-CB 3.88Å; W315-A318 HydrophobicContact CE3-CB 3.84Å; W315-A318 HydrophobicContact CG-CB 4.08Å; W315-A318 VanDerWaalsContact O-CB 3.28Å; W315-A318 WeakPolarHBondContact O-CB 3.36Å; W315-A318 PolarHBondContact O-N 3.4Å; H316-A318 PolarHBondContact O-N 3.26Å; A318-L320 VanDerWaalsContact C-N 3.26Å; A318-L320 PolarHBondContact O-N 2.71Å; A318-R321 PolarHBondContact O-N 3.13Å; A318-S322 PolarHBondContact O-N 2.91Å; A318-S322 VanDerWaalsContact O-N 3.12Å
319	L	80.9	Confident	84.5	Confident	25 Å²	25	72.2 Å²	72.2	13%	0.131	36%	0.358	C	S	.	.	H	α-helix	trans	-63.5	-33.2	177.3	-62.7	172.5	0	0	0	111.9	V297 V299 M314 H316 Q317 R321 S322 V326 F365	V297-L319 HydrophobicContact CG1-CD1 4.33Å; V297-L319 HydrophobicContact CG1-CD2 4.21Å; V299-L319 HydrophobicContact CG2-CD1 3.78Å; M314-L319 HydrophobicContact SD-CD1 4.25Å; H316-L319 WeakPolarHBondContact O-CB 3.47Å; H316-L319 PolarHBondContact O-N 3.4Å; H316-L319 VanDerWaalsContact O-N 3.13Å; Q317-L319 VanDerWaalsContact C-N 3.35Å; L319-R321 PolarHBondContact O-N 3.33Å; L319-S322 PolarHBondContact O-N 3.21Å; L319-S322 PolarHBondContact O-OG 2.91Å; L319-S322 VanDerWaalsContact O-OG 3.04Å; L319-V326 HydrophobicContact CB-CG2 3.94Å; L319-V326 HydrophobicContact CD1-CG1 4.46Å; L319-F365 HydrophobicContact CD1-CZ 4.41Å
320	L	79.8	Confident	84.5	Confident	77 Å²	77	72.3 Å²	72.3	40%	0.403	36%	0.359	S	S	.	.	H	α-helix	trans	-67.1	-23.8	173.4	-66.2	-178.4	0	0	0	113.2	A318 F365 L366 L369	A318-L320 VanDerWaalsContact C-N 3.26Å; A318-L320 PolarHBondContact O-N 2.71Å; L320-F365 HydrophobicContact CD2-CD1 4.32Å; L320-F365 HydrophobicContact CD2-CE1 3.74Å; L320-F365 HydrophobicContact CG-CE1 4.22Å; L320-L366 HydrophobicContact CD1-CD2 4.15Å; L320-L366 HydrophobicContact CD2-CD2 3.48Å; L320-L366 VanDerWaalsContact CD2-CD2 3.48Å; L320-L366 HydrophobicContact CG-CD2 4.45Å; L320-L369 HydrophobicContact CD1-CD2 3.56Å; L320-L369 HydrophobicContact CG-CD2 4.03Å
321	R	81.1	Confident	84.4	Confident	189 Å²	189	69.6 Å²	69.6	71%	0.713	34%	0.341	S	S	*	.	H	α-helix	trans	-93.3	-18.7	-178	-57.2	-178.5	-160.8	-179.7	2.2	112.8	A318 L319 G323	A318-R321 PolarHBondContact O-N 3.13Å; L319-R321 PolarHBondContact O-N 3.33Å; R321-G323 VanDerWaalsContact C-N 3.26Å; R321-G323 PolarHBondContact O-N 3.5Å
322	S	81.1	Confident	84.6	Confident	62 Å²	62	69.3 Å²	69.3	43%	0.434	34%	0.34	S	S	.	.	H	α-helix	trans	-72.7	-22.6	-179.9	66.7	0	0	0	0	112.5	A318 L319 D324	A318-S322 PolarHBondContact O-N 2.91Å; A318-S322 VanDerWaalsContact O-N 3.12Å; L319-S322 PolarHBondContact O-N 3.21Å; L319-S322 PolarHBondContact O-OG 2.91Å; L319-S322 VanDerWaalsContact O-OG 3.04Å; S322-D324 WeakPolarHBondContact CB-OD2 3.3Å; S322-D324 VanDerWaalsContact OG-CG 3.28Å; S322-D324 PolarHBondContact OG-N 2.87Å; S322-D324 PolarHBondContact OG-OD2 3.26Å
323	G	79.9	Confident	84.8	Confident	71 Å²	71	61.3 Å²	61.3	73%	0.732	31%	0.308	S	S	*	.			trans	80.1	2.8	-175.1	0	0	0	0	0	113.5	R321	R321-G323 VanDerWaalsContact C-N 3.26Å; R321-G323 PolarHBondContact O-N 3.5Å
324	D	85.4	Confident	85.3	Confident	79 Å²	79	61 Å²	61	42%	0.422	31%	0.314	S	S	.	.			trans	-68.4	151.7	175.2	-60.3	-47.2	0	0	0	110.9	V297 S322 V326	V297-D324 HydrophobicContact CG2-CB 4.25Å; S322-D324 WeakPolarHBondContact CB-OD2 3.3Å; S322-D324 VanDerWaalsContact OG-CG 3.28Å; S322-D324 PolarHBondContact OG-N 2.87Å; S322-D324 PolarHBondContact OG-OD2 3.26Å; D324-V326 PolarHBondContact O-N 3.11Å
325	K	87.5	Confident	86	Confident	149 Å²	149	58.7 Å²	58.7	65%	0.648	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.1	169.6	-68.2	178.7	-177.1	174.6	0	108.3	T296 V297	T296-K325 CarbonylContact C-O 3.56Å; T296-K325 WeakPolarHBondContact CA-O 3.43Å; T296-K325 HydrophobicContact CG2-CB 4.25Å; V297-K325 PolarHBondContact N-O 2.97Å
326	V	90.6	Very high	86.8	Confident	36 Å²	36	53.6 Å²	53.6	22%	0.218	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.8	177.9	-170.6	0	0	0	0	109.1	V297 V299 L319 D324 F365	V297-V326 WeakPolarHBondContact O-CA 3.42Å; V299-V326 HydrophobicContact CG2-CG1 4.05Å; L319-V326 HydrophobicContact CB-CG2 3.94Å; L319-V326 HydrophobicContact CD1-CG1 4.46Å; D324-V326 PolarHBondContact O-N 3.11Å; V326-F365 HydrophobicContact CB-CD1 4Å; V326-F365 HydrophobicContact CB-CE1 4.14Å; V326-F365 HydrophobicContact CB-CG 4.45Å; V326-F365 HydrophobicContact CG1-CB 4.49Å; V326-F365 HydrophobicContact CG1-CD1 3.65Å; V326-F365 HydrophobicContact CG1-CD2 3.89Å; V326-F365 HydrophobicContact CG1-CE1 3.71Å; V326-F365 HydrophobicContact CG1-CE2 3.97Å; V326-F365 HydrophobicContact CG1-CG 3.74Å; V326-F365 HydrophobicContact CG1-CZ 3.88Å
327	R	90.8	Very high	87.6	Confident	41 Å²	41	55.7 Å²	55.7	16%	0.155	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.3	169.9	-168.6	178.7	69.1	-126.5	-3.9	109.4	E293 T296 V297 V298 V299 D329 D361	E293-R327 IonicContact OE1-NH2 3.67Å; E293-R327 IonicContact OE2-CZ 2.94Å; E293-R327 IonicContact OE2-NH1 3.75Å; E293-R327 PolarHBondContact OE2-NH1 3.19Å; E293-R327 VanDerWaalsContact OE2-NH1 3.09Å; E293-R327 IonicContact OE2-NH2 3.46Å; E293-R327 PolarHBondContact OE2-NH2 3.19Å; T296-R327 HydrophobicContact CG2-CB 3.9Å; V297-R327 PolarHBondContact O-N 2.77Å; V298-R327 WeakPolarHBondContact CA-O 3.49Å; V299-R327 PolarHBondContact N-O 2.78Å; R327-D329 IonicContact CZ-OD1 3.52Å; R327-D329 IonicContact CZ-OD2 3.96Å; R327-D329 IonicContact NE-OD1 3.12Å; R327-D329 PolarHBondContact NE-OD1 2.96Å; R327-D329 IonicContact NE-OD2 2.76Å; R327-D329 IonicContact NH2-OD1 3.65Å; R327-D329 IonicContact NH2-OD2 3.62Å; R327-D329 PolarHBondContact NH2-OD2 3.31Å; R327-D361 WeakPolarHBondContact CD-OD1 3.48Å
328	M	93	Very high	88.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.5	169.1	-179.1	169	-85.2	0	0	108.9	V299 D301 L302 C363 F365 N368	V299-M328 HydrophobicContact CG1-CE 4.12Å; V299-M328 VanDerWaalsContact O-CA 3.27Å; V299-M328 WeakPolarHBondContact O-CA 3.42Å; D301-M328 WeakPolarHBondContact O-CE 3.39Å; L302-M328 HydrophobicContact CD2-CE 4.42Å; L302-M328 HydrophobicContact CD2-CG 3.91Å; L302-M328 HydrophobicContact CD2-SD 3.45Å; L302-M328 WeakPolarHBondContact CD2-SD 3.32Å; M328-C363 HydrophobicContact CB-CB 4.1Å; M328-C363 HydrophobicContact CG-CB 3.87Å; M328-C363 WeakPolarHBondContact O-CB 3.5Å; M328-C363 HydrophobicContact SD-CB 4.35Å; M328-F365 HydrophobicContact CB-CB 3.92Å; M328-F365 HydrophobicContact CB-CD2 4.43Å; M328-F365 HydrophobicContact CE-CD2 4Å; M328-N368 HydrophobicContact CE-CB 3.85Å; M328-N368 WeakPolarHBondContact CE-OD1 3.4Å; M328-N368 HydrophobicContact SD-CB 3.5Å; M328-N368 VanDerWaalsContact SD-CB 3.5Å; M328-N368 VanDerWaalsContact SD-CG 3.56Å
329	D	93	Very high	89.5	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.294	C	S	.	.			trans	-113.1	145.3	169.6	-71.3	-19.7	0	0	0	107.9	R291 V298 V299 Q300 R327 T335	R291-D329 IonicContact NH2-OD2 3.54Å; R291-D329 PolarHBondContact NH2-OD2 2.98Å; V298-D329 HydrophobicContact CG1-CB 3.81Å; V298-D329 WeakPolarHBondContact CG1-OD2 3.27Å; V299-D329 PolarHBondContact O-N 3.49Å; V299-D329 VanDerWaalsContact O-N 3.09Å; Q300-D329 VanDerWaalsContact CA-O 3.3Å; Q300-D329 WeakPolarHBondContact CA-O 3.38Å; Q300-D329 WeakPolarHBondContact CG-O 3.2Å; R327-D329 IonicContact CZ-OD1 3.52Å; R327-D329 IonicContact CZ-OD2 3.96Å; R327-D329 IonicContact NE-OD1 3.12Å; R327-D329 PolarHBondContact NE-OD1 2.96Å; R327-D329 IonicContact NE-OD2 2.76Å; R327-D329 IonicContact NH2-OD1 3.65Å; R327-D329 IonicContact NH2-OD2 3.62Å; R327-D329 PolarHBondContact NH2-OD2 3.31Å; D329-T335 HydrophobicContact CB-CG2 4.04Å; D329-T335 PolarHBondContact OD1-OG1 3.25Å; D329-T335 VanDerWaalsContact OD1-OG1 3.06Å
330	P	92.9	Very high	90.3	Very high	7 Å²	7	55 Å²	55	5%	0.045	32%	0.316	C	S	.	.			trans	-57.2	146.3	171	-18.7	28.3	0	0	0	111.8	Y276 Q300 C332 T333 M362	Y276-P330 HydrophobicContact CE2-CB 3.65Å; Q300-P330 PolarHBondContact NE2-O 2.81Å; P330-C332 PolarHBondContact O-N 3.33Å; P330-T333 HydrophobicContact CB-CG2 3.82Å; P330-T333 WeakPolarHBondContact CD-OG1 3.43Å; P330-T333 PolarHBondContact O-N 3.15Å; P330-T333 PolarHBondContact O-OG1 3.44Å; P330-M362 HydrophobicContact CG-CG 4.2Å; P330-M362 HydrophobicContact CG-SD 3.57Å; P330-M362 VanDerWaalsContact CG-SD 3.57Å
331	P	90.1	Very high	91.2	Very high	20 Å²	20	54.3 Å²	54.3	13%	0.13	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	127.4	176.6	-29.3	29.2	0	0	0	114.5	I275 Y276 Q300 T333	I275-P331 HydrophobicContact CG2-CB 3.36Å; I275-P331 HydrophobicContact CG2-CG 3.83Å; Y276-P331 HydrophobicContact CD2-CB 4.35Å; Y276-P331 VanDerWaalsContact CD2-O 3.31Å; Y276-P331 WeakPolarHBondContact CD2-O 3.47Å; Y276-P331 HydrophobicContact CE1-CG 4.33Å; Y276-P331 HydrophobicContact CE2-CB 4.1Å; Y276-P331 HydrophobicContact CE2-CG 4.09Å; Y276-P331 WeakPolarHBondContact OH-CD 3.34Å; Q300-P331 WeakPolarHBondContact O-CD 3.28Å; Q300-P331 WeakPolarHBondContact O-CG 3.4Å; P331-T333 WeakPolarHBondContact O-CG2 3.21Å; P331-T333 PolarHBondContact O-N 3.47Å
332	C	91.7	Very high	92	Very high	15 Å²	15	45.3 Å²	45.3	10%	0.101	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	23	173.5	-68.4	0	0	0	0	115.6	L273 N274 C282 A283 P330	L273-C332 PolarHBondContact O-SG 2.86Å; L273-C332 VanDerWaalsContact O-SG 3.36Å; N274-C332 HydrophobicContact CB-CB 3.94Å; N274-C332 VanDerWaalsContact CG-CB 3.5Å; C282-C332 HydrophobicContact CB-CB 3.78Å; C282-C332 WeakPolarHBondContact CB-SG 3.39Å; C282-C332 VanDerWaalsContact SG-CA 3.55Å; C282-C332 WeakPolarHBondContact SG-CB 3.22Å; C282-C332 CovalentContact SG-SG 2.04Å; C282-C332 PolarHBondContact SG-SG 2.97Å; A283-C332 VanDerWaalsContact CB-O 3.29Å; A283-C332 WeakPolarHBondContact CB-O 3.12Å; A283-C332 PolarHBondContact N-O 2.86Å; P330-C332 PolarHBondContact O-N 3.33Å
333	T	90.7	Very high	92.9	Very high	22 Å²	22	44.3 Å²	44.3	14%	0.135	26%	0.264	C	S	.	.			trans	-103	157.5	175.9	66.3	0	0	0	0	111.9	Y276 P330 P331 M459	Y276-T333 HydrophobicContact CD2-CG2 4.09Å; Y276-T333 HydrophobicContact CE2-CG2 4.22Å; P330-T333 HydrophobicContact CB-CG2 3.82Å; P330-T333 WeakPolarHBondContact CD-OG1 3.43Å; P330-T333 PolarHBondContact O-N 3.15Å; P330-T333 PolarHBondContact O-OG1 3.44Å; P331-T333 WeakPolarHBondContact O-CG2 3.21Å; P331-T333 PolarHBondContact O-N 3.47Å; T333-M459 HydrophobicContact CG2-CE 4.35Å
334	N	91.8	Very high	93.7	Very high	107 Å²	107	43.8 Å²	43.8	57%	0.572	25%	0.245	S	C	*	.			trans	-114.3	101.8	169.5	-178.8	2.2	0	0	0	109.7	A283 T336	A283-N334 HydrophobicContact CB-CB 4.13Å; N334-T336 PolarHBondContact O-N 3.49Å; N334-T336 WeakPolarHBondContact OD1-CB 3.14Å; N334-T336 PolarHBondContact OD1-N 3.25Å; N334-T336 PolarHBondContact OD1-OG1 2.82Å
335	T	94.1	Very high	94.4	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.037	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.7	-176.5	62.9	0	0	0	0	113.4	D329 A337 A338 S339 M362	D329-T335 HydrophobicContact CB-CG2 4.04Å; D329-T335 PolarHBondContact OD1-OG1 3.25Å; D329-T335 VanDerWaalsContact OD1-OG1 3.06Å; T335-A337 PolarHBondContact O-N 3.02Å; T335-A338 PolarHBondContact O-N 3.46Å; T335-S339 VanDerWaalsContact O-CB 3.27Å; T335-S339 WeakPolarHBondContact O-CB 3.46Å; T335-S339 PolarHBondContact O-N 2.78Å; T335-M362 HydrophobicContact CG2-CB 3.93Å; T335-M362 HydrophobicContact CG2-CE 4.02Å; T335-M362 HydrophobicContact CG2-CG 4.33Å; T335-M362 HydrophobicContact CG2-SD 3.47Å; T335-M362 WeakPolarHBondContact CG2-SD 3.2Å
336	T	94.6	Very high	94.9	Very high	66 Å²	66	45.7 Å²	45.7	41%	0.405	26%	0.255	S	S	.	.	H	α-helix	trans	-57.5	-43.2	-172.4	-57.6	0	0	0	0	112.7	N334 T340	N334-T336 PolarHBondContact O-N 3.49Å; N334-T336 WeakPolarHBondContact OD1-CB 3.14Å; N334-T336 PolarHBondContact OD1-N 3.25Å; N334-T336 PolarHBondContact OD1-OG1 2.82Å; T336-T340 WeakPolarHBondContact O-CB 3.44Å; T336-T340 PolarHBondContact O-N 3.18Å; T336-T340 PolarHBondContact O-OG1 2.85Å
337	A	96.3	Very high	95.3	Very high	78 Å²	78	44 Å²	44	65%	0.645	25%	0.245	S	C	*	.	H	α-helix	trans	-64.3	-53.8	-175.3	0	0	0	0	0	111.8	T335 T340 Y341	T335-A337 PolarHBondContact O-N 3.02Å; A337-T340 PolarHBondContact O-N 2.81Å; A337-Y341 WeakPolarHBondContact O-CB 3.42Å; A337-Y341 PolarHBondContact O-N 2.93Å; A337-Y341 VanDerWaalsContact O-N 3.08Å
338	A	96.8	Very high	95.6	Very high	9 Å²	9	43.4 Å²	43.4	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-62.4	-45.7	177.8	0	0	0	0	0	111.5	L113 T335 T340 Y341 L342 W360 M362	L113-A338 HydrophobicContact CD1-CB 4.38Å; T335-A338 PolarHBondContact O-N 3.46Å; A338-T340 PolarHBondContact O-N 3.46Å; A338-Y341 PolarHBondContact O-N 2.6Å; A338-L342 WeakPolarHBondContact O-CB 3.17Å; A338-L342 WeakPolarHBondContact O-CG 3.43Å; A338-L342 PolarHBondContact O-N 2.72Å; A338-W360 HydrophobicContact CB-CH2 4.08Å; A338-W360 HydrophobicContact CB-CZ3 4.13Å; A338-M362 HydrophobicContact CB-CE 4.25Å
339	S	97.1	Very high	95.9	Very high	24 Å²	24	50.9 Å²	50.9	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-42	179.3	-179.4	0	0	0	0	112.4	T335 Y341 N343	T335-S339 VanDerWaalsContact O-CB 3.27Å; T335-S339 WeakPolarHBondContact O-CB 3.46Å; T335-S339 PolarHBondContact O-N 2.78Å; S339-Y341 VanDerWaalsContact C-N 3.31Å; S339-Y341 PolarHBondContact O-N 3.27Å; S339-N343 WeakPolarHBondContact O-CB 3.34Å; S339-N343 PolarHBondContact O-N 3.05Å; S339-N343 PolarHBondContact O-ND2 2.61Å; S339-N343 PolarHBondContact OG-ND2 3.05Å; S339-N343 VanDerWaalsContact OG-ND2 3.11Å
340	T	98.1	Very high	96.1	Very high	95 Å²	95	51.7 Å²	51.7	58%	0.583	28%	0.282	S	S	*	.	H	α-helix	trans	-62.5	-40.7	176.6	-60.8	0	0	0	0	111.3	T336 A337 A338	T336-T340 WeakPolarHBondContact O-CB 3.44Å; T336-T340 PolarHBondContact O-N 3.18Å; T336-T340 PolarHBondContact O-OG1 2.85Å; A337-T340 PolarHBondContact O-N 2.81Å; A338-T340 PolarHBondContact O-N 3.46Å
341	Y	98.5	Very high	96.4	Very high	62 Å²	62	51.3 Å²	51.3	24%	0.243	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-53.9	179.2	-178.8	-106.9	0	0	0	111.9	L56 P57 L113 A337 A338 S339 N343 N344 V347	L56-Y341 WeakPolarHBondContact CD2-OH 3.45Å; L56-Y341 WeakPolarHBondContact CG-OH 3.4Å; P57-Y341 VanDerWaalsContact O-CE2 3.3Å; P57-Y341 WeakPolarHBondContact O-CE2 3.4Å; P57-Y341 PolarHBondContact O-OH 3.15Å; L113-Y341 HydrophobicContact CD1-CD1 4.22Å; L113-Y341 HydrophobicContact CD2-CD1 4.43Å; L113-Y341 HydrophobicContact CD2-CE1 4.32Å; A337-Y341 WeakPolarHBondContact O-CB 3.42Å; A337-Y341 PolarHBondContact O-N 2.93Å; A337-Y341 VanDerWaalsContact O-N 3.08Å; A338-Y341 PolarHBondContact O-N 2.6Å; S339-Y341 VanDerWaalsContact C-N 3.31Å; S339-Y341 PolarHBondContact O-N 3.27Å; Y341-N343 VanDerWaalsContact C-N 3.32Å; Y341-N343 PolarHBondContact O-N 3.39Å; Y341-N344 WeakPolarHBondContact O-CB 3.02Å; Y341-N344 PolarHBondContact O-N 3.25Å; Y341-N344 VanDerWaalsContact O-N 3.13Å; Y341-V347 HydrophobicContact CD1-CG1 4.17Å; Y341-V347 HydrophobicContact CD2-CG2 4.04Å; Y341-V347 HydrophobicContact CE1-CG1 3.82Å; Y341-V347 HydrophobicContact CE1-CG2 4.33Å; Y341-V347 HydrophobicContact CE2-CG2 3.68Å; Y341-V347 WeakPolarHBondContact O-CB 3.39Å; Y341-V347 WeakPolarHBondContact O-CG2 3.38Å
342	L	98.6	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-28	-175.3	-69.2	174.1	0	0	0	112.9	W83 L109 L113 F135 A338 N344 V347 R348 L351 W360	W83-L342 HydrophobicContact CZ3-CD2 4.27Å; L109-L342 HydrophobicContact CB-CD1 4.12Å; L109-L342 HydrophobicContact CD1-CD1 3.93Å; L109-L342 HydrophobicContact CD1-CD2 4.07Å; L113-L342 HydrophobicContact CD1-CD1 3.68Å; L113-L342 HydrophobicContact CD1-CD2 3.96Å; L113-L342 HydrophobicContact CD1-CG 3.78Å; F135-L342 HydrophobicContact CE2-CB 4.27Å; F135-L342 HydrophobicContact CE2-CD2 4.26Å; F135-L342 HydrophobicContact CZ-CB 4.1Å; F135-L342 WeakPolarHBondContact CZ-O 3.35Å; A338-L342 WeakPolarHBondContact O-CB 3.17Å; A338-L342 WeakPolarHBondContact O-CG 3.43Å; A338-L342 PolarHBondContact O-N 2.72Å; L342-N344 VanDerWaalsContact C-N 3.29Å; L342-N344 PolarHBondContact O-N 3.47Å; L342-V347 HydrophobicContact CD2-CG1 4.33Å; L342-R348 WeakPolarHBondContact O-CG 3.2Å; L342-L351 HydrophobicContact CD2-CD1 3.83Å; L342-W360 HydrophobicContact CB-CB 4.28Å; L342-W360 HydrophobicContact CB-CD2 4.07Å; L342-W360 HydrophobicContact CB-CE3 4.21Å; L342-W360 HydrophobicContact CB-CG 4.1Å; L342-W360 HydrophobicContact CD1-CD2 3.51Å; L342-W360 HydrophobicContact CD1-CE3 3.85Å; L342-W360 HydrophobicContact CD1-CG 4.09Å; L342-W360 HydrophobicContact CD1-CH2 3.78Å; L342-W360 HydrophobicContact CD1-CZ2 3.45Å; L342-W360 VanDerWaalsContact CD1-CZ2 3.45Å; L342-W360 HydrophobicContact CD1-CZ3 3.97Å; L342-W360 HydrophobicContact CG-CD2 4.45Å
343	N	98.6	Very high	97.1	Very high	40 Å²	40	53 Å²	53	21%	0.214	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.1	174.2	-74.1	-56.7	0	0	0	114.5	S339 Y341 P345 Q359 W360	S339-N343 WeakPolarHBondContact O-CB 3.34Å; S339-N343 PolarHBondContact O-N 3.05Å; S339-N343 PolarHBondContact O-ND2 2.61Å; S339-N343 PolarHBondContact OG-ND2 3.05Å; S339-N343 VanDerWaalsContact OG-ND2 3.11Å; Y341-N343 VanDerWaalsContact C-N 3.32Å; Y341-N343 PolarHBondContact O-N 3.39Å; N343-P345 WeakPolarHBondContact O-CD 3.48Å; N343-Q359 VanDerWaalsContact OD1-CA 3.29Å; N343-Q359 WeakPolarHBondContact OD1-CA 3.45Å; N343-Q359 WeakPolarHBondContact OD1-CB 3.44Å; N343-W360 PolarHBondContact ND2-O 2.95Å; N343-W360 PolarHBondContact OD1-N 2.92Å
344	N	98.6	Very high	97.5	Very high	61 Å²	61	53.4 Å²	53.4	33%	0.326	29%	0.289	S	S	.	.	S	Bend	trans	-64.8	126.5	173.7	-175.7	-51.7	0	0	0	110	Y341 L342 Y346 V347 R348	Y341-N344 WeakPolarHBondContact O-CB 3.02Å; Y341-N344 PolarHBondContact O-N 3.25Å; Y341-N344 VanDerWaalsContact O-N 3.13Å; L342-N344 VanDerWaalsContact C-N 3.29Å; L342-N344 PolarHBondContact O-N 3.47Å; N344-Y346 PolarHBondContact O-N 3.42Å; N344-Y346 VanDerWaalsContact O-N 3.14Å; N344-Y346 WeakPolarHBondContact OD1-CB 3.25Å; N344-Y346 VanDerWaalsContact OD1-CD2 3.29Å; N344-Y346 WeakPolarHBondContact OD1-CD2 3.34Å; N344-Y346 PolarHBondContact OD1-N 3.29Å; N344-V347 HydrophobicContact CB-CB 4.06Å; N344-V347 HydrophobicContact CB-CG2 3.84Å; N344-V347 WeakPolarHBondContact O-CA 3.47Å; N344-V347 WeakPolarHBondContact O-CB 3.23Å; N344-V347 PolarHBondContact O-N 2.94Å; N344-R348 PolarHBondContact O-N 2.99Å
345	P	98.4	Very high	97.8	Very high	94 Å²	94	57 Å²	57	61%	0.61	30%	0.303	S	S	*	.	H	α-helix	trans	-56	-33.8	-178.4	-27.4	34.9	0	0	0	114.3	N343 K349	N343-P345 WeakPolarHBondContact O-CD 3.48Å; P345-K349 WeakPolarHBondContact O-CB 3.14Å; P345-K349 PolarHBondContact O-N 3.42Å
346	Y	98.2	Very high	97.9	Very high	173 Å²	173	63.6 Å²	63.6	68%	0.678	33%	0.333	S	S	*	.	H	α-helix	trans	-71.9	-34.3	176.9	-57.9	-71.5	0	0	0	112.2	N344 A350	N344-Y346 PolarHBondContact O-N 3.42Å; N344-Y346 VanDerWaalsContact O-N 3.14Å; N344-Y346 WeakPolarHBondContact OD1-CB 3.25Å; N344-Y346 VanDerWaalsContact OD1-CD2 3.29Å; N344-Y346 WeakPolarHBondContact OD1-CD2 3.34Å; N344-Y346 PolarHBondContact OD1-N 3.29Å; Y346-A350 WeakPolarHBondContact O-CB 3.16Å; Y346-A350 PolarHBondContact O-N 3.43Å
347	V	98.6	Very high	98.1	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-69.9	-47.6	174.7	174.8	0	0	0	0	109.4	P57 Y341 L342 N344 K349 A350 L351	P57-V347 HydrophobicContact CB-CG2 3.9Å; P57-V347 HydrophobicContact CG-CG2 3.93Å; Y341-V347 HydrophobicContact CD1-CG1 4.17Å; Y341-V347 HydrophobicContact CD2-CG2 4.04Å; Y341-V347 HydrophobicContact CE1-CG1 3.82Å; Y341-V347 HydrophobicContact CE1-CG2 4.33Å; Y341-V347 HydrophobicContact CE2-CG2 3.68Å; Y341-V347 WeakPolarHBondContact O-CB 3.39Å; Y341-V347 WeakPolarHBondContact O-CG2 3.38Å; L342-V347 HydrophobicContact CD2-CG1 4.33Å; N344-V347 HydrophobicContact CB-CB 4.06Å; N344-V347 HydrophobicContact CB-CG2 3.84Å; N344-V347 WeakPolarHBondContact O-CA 3.47Å; N344-V347 WeakPolarHBondContact O-CB 3.23Å; N344-V347 PolarHBondContact O-N 2.94Å; V347-K349 VanDerWaalsContact C-N 3.28Å; V347-K349 PolarHBondContact O-N 3.15Å; V347-A350 PolarHBondContact O-N 3.35Å; V347-L351 HydrophobicContact CG1-CD1 3.78Å; V347-L351 HydrophobicContact CG1-CG 4.26Å; V347-L351 WeakPolarHBondContact O-CB 3.45Å; V347-L351 WeakPolarHBondContact O-CG 3.42Å; V347-L351 PolarHBondContact O-N 3.22Å
348	R	98.8	Very high	98.1	Very high	30 Å²	30	61.8 Å²	61.8	11%	0.113	32%	0.315	C	S	.	.	H	α-helix	trans	-54.7	-44.4	174.2	-69.5	-175.9	66.1	137	-4.9	112.2	F135 L342 N344 L351 N352 I353 P354 L357 P358	F135-R348 HydrophobicContact CE1-CG 4.2Å; F135-R348 HydrophobicContact CZ-CG 4.1Å; L342-R348 WeakPolarHBondContact O-CG 3.2Å; N344-R348 PolarHBondContact O-N 2.99Å; R348-L351 CarbonylContact O-C 3.59Å; R348-L351 PolarHBondContact O-N 2.92Å; R348-N352 PolarHBondContact O-N 2.85Å; R348-I353 HydrophobicContact CB-CB 4.04Å; R348-I353 HydrophobicContact CB-CG1 4.26Å; R348-I353 WeakPolarHBondContact O-CB 3.24Å; R348-I353 WeakPolarHBondContact O-CG1 3.35Å; R348-I353 PolarHBondContact O-N 3.47Å; R348-P354 PolarHBondContact NH2-O 3.37Å; R348-L357 PolarHBondContact NH2-O 3.43Å; R348-P358 PolarHBondContact NH1-O 3.01Å; R348-P358 PolarHBondContact NH2-O 2.65Å
349	K	98.5	Very high	98.2	Very high	158 Å²	158	67.1 Å²	67.1	69%	0.687	34%	0.338	S	S	*	.	H	α-helix	trans	-63.7	-42.7	175.4	-174.4	173.9	-177.9	172.6	0	112.4	P345 V347 L351 N352	P345-K349 WeakPolarHBondContact O-CB 3.14Å; P345-K349 PolarHBondContact O-N 3.42Å; V347-K349 VanDerWaalsContact C-N 3.28Å; V347-K349 PolarHBondContact O-N 3.15Å; K349-L351 VanDerWaalsContact C-N 3.25Å; K349-L351 PolarHBondContact O-N 3.39Å; K349-N352 PolarHBondContact O-N 3.42Å
350	A	98.2	Very high	98.2	Very high	18 Å²	18	66 Å²	66	15%	0.149	33%	0.33	C	S	.	.	H	α-helix	trans	-66.6	-28.1	178.1	0	0	0	0	0	113	I53 R55 L56 P57 Y346 V347 N352	I53-A350 HydrophobicContact CG2-CB 4.5Å; R55-A350 WeakPolarHBondContact O-CB 3.39Å; L56-A350 HydrophobicContact CD1-CB 4.48Å; P57-A350 HydrophobicContact CG-CB 4.45Å; Y346-A350 WeakPolarHBondContact O-CB 3.16Å; Y346-A350 PolarHBondContact O-N 3.43Å; V347-A350 PolarHBondContact O-N 3.35Å; A350-N352 VanDerWaalsContact C-N 3.32Å
351	L	98.6	Very high	98.2	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	12.2	176.5	-62.6	179.1	0	0	0	113.2	I53 L56 S69 W83 L342 V347 R348 K349 I353	I53-L351 HydrophobicContact CD1-CD2 3.55Å; I53-L351 HydrophobicContact CG1-CD2 4.1Å; L56-L351 HydrophobicContact CD1-CD2 3.98Å; L56-L351 HydrophobicContact CD1-CG 4.45Å; S69-L351 WeakPolarHBondContact CB-O 3.47Å; S69-L351 PolarHBondContact OG-O 3.14Å; W83-L351 HydrophobicContact CD2-CD2 3.87Å; W83-L351 HydrophobicContact CE3-CD1 3.98Å; W83-L351 HydrophobicContact CE3-CD2 3.68Å; W83-L351 HydrophobicContact CE3-CG 4.49Å; W83-L351 HydrophobicContact CH2-CD1 4.19Å; W83-L351 HydrophobicContact CH2-CD2 3.58Å; W83-L351 HydrophobicContact CH2-CG 4.45Å; W83-L351 HydrophobicContact CZ2-CD2 3.73Å; W83-L351 HydrophobicContact CZ3-CD1 3.57Å; W83-L351 HydrophobicContact CZ3-CD2 3.55Å; W83-L351 HydrophobicContact CZ3-CG 4.19Å; L342-L351 HydrophobicContact CD2-CD1 3.83Å; V347-L351 HydrophobicContact CG1-CD1 3.78Å; V347-L351 HydrophobicContact CG1-CG 4.26Å; V347-L351 WeakPolarHBondContact O-CB 3.45Å; V347-L351 WeakPolarHBondContact O-CG 3.42Å; V347-L351 PolarHBondContact O-N 3.22Å; R348-L351 CarbonylContact O-C 3.59Å; R348-L351 PolarHBondContact O-N 2.92Å; K349-L351 VanDerWaalsContact C-N 3.25Å; K349-L351 PolarHBondContact O-N 3.39Å; L351-I353 HydrophobicContact CB-CD1 3.99Å; L351-I353 HydrophobicContact CB-CG1 3.84Å; L351-I353 WeakPolarHBondContact O-CD1 3.26Å; L351-I353 PolarHBondContact O-N 3.22Å; L351-I353 VanDerWaalsContact O-N 3.15Å
352	N	98.4	Very high	98.2	Very high	60 Å²	60	60.8 Å²	60.8	32%	0.321	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	33.6	178.6	-51.6	-49.8	0	0	0	113.8	Q50 D51 S69 R348 K349 A350 P354	Q50-N352 PolarHBondContact O-ND2 2.88Å; D51-N352 WeakPolarHBondContact CA-ND2 3.38Å; D51-N352 PolarHBondContact O-ND2 2.94Å; D51-N352 VanDerWaalsContact O-ND2 3.11Å; S69-N352 PolarHBondContact O-ND2 2.98Å; R348-N352 PolarHBondContact O-N 2.85Å; K349-N352 PolarHBondContact O-N 3.42Å; A350-N352 VanDerWaalsContact C-N 3.32Å; N352-P354 WeakPolarHBondContact O-CD 3.49Å
353	I	98.8	Very high	98.2	Very high	9 Å²	9	60.8 Å²	60.8	5%	0.046	30%	0.303	C	S	.	.			trans	-79.5	125.3	179.9	-51.6	-54.4	0	0	0	109.7	H81 F135 R348 L351 E355 L357	H81-I353 WeakPolarHBondContact CD2-CD1 3.36Å; H81-I353 VanDerWaalsContact NE2-CD1 3.34Å; H81-I353 WeakPolarHBondContact NE2-CD1 3.46Å; F135-I353 HydrophobicContact CB-CD1 3.9Å; F135-I353 HydrophobicContact CB-CG2 4.42Å; F135-I353 HydrophobicContact CD1-CD1 4.24Å; F135-I353 HydrophobicContact CD1-CG1 4.21Å; F135-I353 HydrophobicContact CD1-CG2 3.55Å; F135-I353 HydrophobicContact CD2-CD1 3.55Å; F135-I353 HydrophobicContact CD2-CG1 4.03Å; F135-I353 HydrophobicContact CE1-CG1 4.24Å; F135-I353 HydrophobicContact CE1-CG2 3.88Å; F135-I353 HydrophobicContact CE2-CD1 4.05Å; F135-I353 HydrophobicContact CE2-CG1 4.07Å; F135-I353 HydrophobicContact CG-CD1 3.65Å; F135-I353 HydrophobicContact CG-CG1 4.09Å; F135-I353 HydrophobicContact CG-CG2 4.03Å; F135-I353 HydrophobicContact CZ-CG1 4.17Å; R348-I353 HydrophobicContact CB-CB 4.04Å; R348-I353 HydrophobicContact CB-CG1 4.26Å; R348-I353 WeakPolarHBondContact O-CB 3.24Å; R348-I353 WeakPolarHBondContact O-CG1 3.35Å; R348-I353 PolarHBondContact O-N 3.47Å; L351-I353 HydrophobicContact CB-CD1 3.99Å; L351-I353 HydrophobicContact CB-CG1 3.84Å; L351-I353 WeakPolarHBondContact O-CD1 3.26Å; L351-I353 PolarHBondContact O-N 3.22Å; L351-I353 VanDerWaalsContact O-N 3.15Å; I353-E355 PolarHBondContact O-N 2.9Å; I353-L357 HydrophobicContact CG2-CB 4.49Å; I353-L357 HydrophobicContact CG2-CD1 4.09Å
354	P	98.4	Very high	98.2	Very high	31 Å²	31	60.7 Å²	60.7	20%	0.201	30%	0.302	C	S	.	.			trans	-57.4	131.5	174	-20.3	28.1	0	0	0	111.7	Y71 R348 N352 Q356 L357	Y71-P354 VanDerWaalsContact CE2-CD 3.49Å; Y71-P354 HydrophobicContact CE2-CG 4.08Å; Y71-P354 WeakPolarHBondContact OH-CD 3.46Å; R348-P354 PolarHBondContact NH2-O 3.37Å; N352-P354 WeakPolarHBondContact O-CD 3.49Å; P354-Q356 VanDerWaalsContact CB-CD 3.41Å; P354-Q356 VanDerWaalsContact CB-NE2 3.34Å; P354-Q356 PolarHBondContact O-N 3.01Å; P354-Q356 VanDerWaalsContact O-N 3.15Å; P354-L357 HydrophobicContact CB-CD1 4.4Å; P354-L357 HydrophobicContact CB-CG 4.17Å; P354-L357 HydrophobicContact CG-CD1 4.14Å; P354-L357 HydrophobicContact CG-CG 4.4Å; P354-L357 PolarHBondContact O-N 3.19Å; P354-L357 VanDerWaalsContact O-N 3.11Å
355	E	97.5	Very high	98	Very high	183 Å²	183	58.3 Å²	58.3	86%	0.855	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.7	-174.1	-65.2	-174.7	-179.5	0	0	112.8	I353 L357	I353-E355 PolarHBondContact O-N 2.9Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 2.87Å
356	Q	97.4	Very high	97.9	Very high	144 Å²	144	57 Å²	57	67%	0.673	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-13.6	179.3	73.4	-83.6	17.1	0	0	114.5	P354	P354-Q356 VanDerWaalsContact CB-CD 3.41Å; P354-Q356 VanDerWaalsContact CB-NE2 3.34Å; P354-Q356 PolarHBondContact O-N 3.01Å; P354-Q356 VanDerWaalsContact O-N 3.15Å
357	L	98.2	Very high	97.9	Very high	18 Å²	18	48.8 Å²	48.8	9%	0.094	24%	0.244	C	C	.	.	S	Bend	trans	-70.6	146.9	-179.8	-67.1	-176.1	0	0	0	111.1	Y71 F135 Y137 R348 I353 P354 E355	Y71-L357 HydrophobicContact CE1-CD1 4.43Å; Y71-L357 WeakPolarHBondContact OH-CD1 3.45Å; F135-L357 VanDerWaalsContact O-CD1 3.29Å; F135-L357 WeakPolarHBondContact O-CD1 3.45Å; Y137-L357 HydrophobicContact CD1-CD1 3.75Å; Y137-L357 HydrophobicContact CD1-CD2 3.61Å; Y137-L357 HydrophobicContact CD1-CG 4.32Å; Y137-L357 HydrophobicContact CD2-CD2 4.07Å; Y137-L357 HydrophobicContact CE1-CD1 4.08Å; Y137-L357 HydrophobicContact CE1-CD2 4.14Å; Y137-L357 HydrophobicContact CG-CD2 3.56Å; R348-L357 PolarHBondContact NH2-O 3.43Å; I353-L357 HydrophobicContact CG2-CB 4.49Å; I353-L357 HydrophobicContact CG2-CD1 4.09Å; P354-L357 HydrophobicContact CB-CD1 4.4Å; P354-L357 HydrophobicContact CB-CG 4.17Å; P354-L357 HydrophobicContact CG-CD1 4.14Å; P354-L357 HydrophobicContact CG-CG 4.4Å; P354-L357 PolarHBondContact O-N 3.19Å; P354-L357 VanDerWaalsContact O-N 3.11Å; E355-L357 VanDerWaalsContact C-N 3.3Å; E355-L357 PolarHBondContact O-N 2.87Å
358	P	97	Very high	97.9	Very high	88 Å²	88	49.3 Å²	49.3	57%	0.571	25%	0.247	S	C	*	.			trans	-62.6	175.3	177.9	29.6	-36.3	0	0	0	112	R348	R348-P358 PolarHBondContact NH1-O 3.01Å; R348-P358 PolarHBondContact NH2-O 2.65Å
359	Q	97.2	Very high	97.7	Very high	122 Å²	122	49.7 Å²	49.7	57%	0.57	25%	0.251	S	S	*	.			trans	-57.2	149.4	171.1	71.5	-178.2	-1.2	0	0	110.9	N343 D361	N343-Q359 VanDerWaalsContact OD1-CA 3.29Å; N343-Q359 WeakPolarHBondContact OD1-CA 3.45Å; N343-Q359 WeakPolarHBondContact OD1-CB 3.44Å; Q359-D361 PolarHBondContact NE2-OD2 2.72Å
360	W	98.6	Very high	97.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.			trans	-76.4	130.4	169.8	-174.5	94.1	0	0	0	110.1	S107 L109 E128 F135 A338 L342 N343 M362	S107-W360 WeakPolarHBondContact OG-CZ2 3.4Å; L109-W360 HydrophobicContact CB-CZ2 4.33Å; E128-W360 PolarHBondContact OE1-NE1 2.97Å; F135-W360 HydrophobicContact CD1-CB 4.21Å; F135-W360 AromaticContact CD2-CD1 3.66Å; F135-W360 HydrophobicContact CE1-CB 3.58Å; F135-W360 HydrophobicContact CE1-CG 4.23Å; F135-W360 HydrophobicContact CE2-CB 4.29Å; F135-W360 AromaticContact CE2-CD1 3.6Å; F135-W360 HydrophobicContact CE2-CG 4.14Å; F135-W360 AromaticContact CG-CD1 3.95Å; F135-W360 HydrophobicContact CZ-CB 3.62Å; F135-W360 AromaticContact CZ-CD1 3.83Å; F135-W360 AromaticContact CZ-CG 3.97Å; F135-W360 HydrophobicContact CZ-CG 3.97Å; A338-W360 HydrophobicContact CB-CH2 4.08Å; A338-W360 HydrophobicContact CB-CZ3 4.13Å; L342-W360 HydrophobicContact CB-CB 4.28Å; L342-W360 HydrophobicContact CB-CD2 4.07Å; L342-W360 HydrophobicContact CB-CE3 4.21Å; L342-W360 HydrophobicContact CB-CG 4.1Å; L342-W360 HydrophobicContact CD1-CD2 3.51Å; L342-W360 HydrophobicContact CD1-CE3 3.85Å; L342-W360 HydrophobicContact CD1-CG 4.09Å; L342-W360 HydrophobicContact CD1-CH2 3.78Å; L342-W360 HydrophobicContact CD1-CZ2 3.45Å; L342-W360 VanDerWaalsContact CD1-CZ2 3.45Å; L342-W360 HydrophobicContact CD1-CZ3 3.97Å; L342-W360 HydrophobicContact CG-CD2 4.45Å; N343-W360 PolarHBondContact ND2-O 2.95Å; N343-W360 PolarHBondContact OD1-N 2.92Å; W360-M362 HydrophobicContact CH2-CB 3.7Å; W360-M362 HydrophobicContact CH2-CE 4.32Å; W360-M362 HydrophobicContact CH2-CG 4.18Å; W360-M362 HydrophobicContact CZ2-CB 4.46Å; W360-M362 HydrophobicContact CZ3-CB 4.01Å
361	D	97.8	Very high	97.7	Very high	38 Å²	38	46 Å²	46	20%	0.203	23%	0.233	C	C	.	.			trans	-124.5	143.3	169	-73.1	-57.7	0	0	0	108.2	R327 Q359 C363	R327-D361 WeakPolarHBondContact CD-OD1 3.48Å; Q359-D361 PolarHBondContact NE2-OD2 2.72Å; D361-C363 VanDerWaalsContact C-N 3.29Å; D361-C363 PolarHBondContact O-N 3.3Å
362	M	98	Very high	97.7	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.044	27%	0.265	C	S	.	.	S	Bend	trans	-61.2	-39.3	-177	-177.8	176.1	-79.5	0	0	111.9	C106 S107 D110 P330 T335 A338 W360	C106-M362 CarbonylContact C-O 3.5Å; C106-M362 VanDerWaalsContact CA-O 3.24Å; C106-M362 WeakPolarHBondContact CA-O 3.44Å; S107-M362 PolarHBondContact N-O 2.8Å; D110-M362 HydrophobicContact CB-CE 4.11Å; D110-M362 HydrophobicContact CB-CG 4.45Å; D110-M362 HydrophobicContact CB-SD 4.46Å; D110-M362 VanDerWaalsContact CG-CE 3.5Å; D110-M362 WeakPolarHBondContact OD1-CE 3.36Å; P330-M362 HydrophobicContact CG-CG 4.2Å; P330-M362 HydrophobicContact CG-SD 3.57Å; P330-M362 VanDerWaalsContact CG-SD 3.57Å; T335-M362 HydrophobicContact CG2-CB 3.93Å; T335-M362 HydrophobicContact CG2-CE 4.02Å; T335-M362 HydrophobicContact CG2-CG 4.33Å; T335-M362 HydrophobicContact CG2-SD 3.47Å; T335-M362 WeakPolarHBondContact CG2-SD 3.2Å; A338-M362 HydrophobicContact CB-CE 4.25Å; W360-M362 HydrophobicContact CH2-CB 3.7Å; W360-M362 HydrophobicContact CH2-CE 4.32Å; W360-M362 HydrophobicContact CH2-CG 4.18Å; W360-M362 HydrophobicContact CZ2-CB 4.46Å; W360-M362 HydrophobicContact CZ3-CB 4.01Å
363	C	98.3	Very high	97.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.007	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-129.2	134	171	-54.6	0	0	0	0	111	G105 C106 M328 D361 F365	G105-C363 CarbonylContact O-C 3.33Å; G105-C363 VanDerWaalsContact O-CA 3.28Å; G105-C363 WeakPolarHBondContact O-CA 3.48Å; C106-C363 HydrophobicContact CB-CB 4.1Å; C106-C363 WeakPolarHBondContact CB-SG 3.32Å; C106-C363 WeakPolarHBondContact SG-CB 3.31Å; C106-C363 CovalentContact SG-SG 2.04Å; C106-C363 PolarHBondContact SG-SG 2.86Å; M328-C363 HydrophobicContact CB-CB 4.1Å; M328-C363 HydrophobicContact CG-CB 3.87Å; M328-C363 WeakPolarHBondContact O-CB 3.5Å; M328-C363 HydrophobicContact SD-CB 4.35Å; D361-C363 VanDerWaalsContact C-N 3.29Å; D361-C363 PolarHBondContact O-N 3.3Å; C363-F365 PolarHBondContact O-N 3.24Å
364	N	98	Very high	97.7	Very high	37 Å²	37	57.1 Å²	57.1	20%	0.198	28%	0.275	C	S	.	.			trans	-85.7	111.8	174.8	-172.5	-49.8	0	0	0	110.3	G105 G132 L366 V367 N368	G105-N364 PolarHBondContact O-N 2.89Å; G132-N364 PolarHBondContact O-ND2 3.31Å; N364-L366 VanDerWaalsContact C-N 3.32Å; N364-L366 PolarHBondContact O-N 3.28Å; N364-L366 WeakPolarHBondContact OD1-CA 3.29Å; N364-L366 WeakPolarHBondContact OD1-CB 3.44Å; N364-L366 PolarHBondContact OD1-N 3.27Å; N364-V367 HydrophobicContact CB-CB 3.98Å; N364-V367 HydrophobicContact CB-CG2 3.75Å; N364-V367 PolarHBondContact O-N 2.9Å; N364-V367 PolarHBondContact OD1-N 2.88Å; N364-N368 PolarHBondContact O-N 2.86Å; N364-N368 VanDerWaalsContact O-N 3.09Å
365	F	96.2	Very high	97.7	Very high	12 Å²	12	59.2 Å²	59.2	5%	0.053	28%	0.279	C	S	.	.	H	α-helix	trans	-56.7	-41.7	179	172.8	-110	0	0	0	113.2	V299 H316 L319 L320 V326 M328 C363 N368 L369	V299-F365 HydrophobicContact CB-CD2 4.42Å; V299-F365 HydrophobicContact CB-CE2 4.38Å; V299-F365 HydrophobicContact CG2-CD2 4.46Å; V299-F365 HydrophobicContact CG2-CE2 4.09Å; H316-F365 HydrophobicContact CB-CZ 4.37Å; L319-F365 HydrophobicContact CD1-CZ 4.41Å; L320-F365 HydrophobicContact CD2-CD1 4.32Å; L320-F365 HydrophobicContact CD2-CE1 3.74Å; L320-F365 HydrophobicContact CG-CE1 4.22Å; V326-F365 HydrophobicContact CB-CD1 4Å; V326-F365 HydrophobicContact CB-CE1 4.14Å; V326-F365 HydrophobicContact CB-CG 4.45Å; V326-F365 HydrophobicContact CG1-CB 4.49Å; V326-F365 HydrophobicContact CG1-CD1 3.65Å; V326-F365 HydrophobicContact CG1-CD2 3.89Å; V326-F365 HydrophobicContact CG1-CE1 3.71Å; V326-F365 HydrophobicContact CG1-CE2 3.97Å; V326-F365 HydrophobicContact CG1-CG 3.74Å; V326-F365 HydrophobicContact CG1-CZ 3.88Å; M328-F365 HydrophobicContact CB-CB 3.92Å; M328-F365 HydrophobicContact CB-CD2 4.43Å; M328-F365 HydrophobicContact CE-CD2 4Å; C363-F365 PolarHBondContact O-N 3.24Å; F365-N368 PolarHBondContact O-N 3.25Å; F365-L369 HydrophobicContact CE1-CD2 3.88Å; F365-L369 HydrophobicContact CZ-CD2 3.76Å; F365-L369 VanDerWaalsContact O-CB 3.23Å; F365-L369 WeakPolarHBondContact O-CB 3.31Å; F365-L369 PolarHBondContact O-N 2.73Å
366	L	96.1	Very high	97.7	Very high	66 Å²	66	56.9 Å²	56.9	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-69	-43.3	-178.2	-68.3	175.8	0	0	0	111.6	L320 N364 N368 L369 Q370	L320-L366 HydrophobicContact CD1-CD2 4.15Å; L320-L366 HydrophobicContact CD2-CD2 3.48Å; L320-L366 VanDerWaalsContact CD2-CD2 3.48Å; L320-L366 HydrophobicContact CG-CD2 4.45Å; N364-L366 VanDerWaalsContact C-N 3.32Å; N364-L366 PolarHBondContact O-N 3.28Å; N364-L366 WeakPolarHBondContact OD1-CA 3.29Å; N364-L366 WeakPolarHBondContact OD1-CB 3.44Å; N364-L366 PolarHBondContact OD1-N 3.27Å; L366-N368 VanDerWaalsContact C-N 3.34Å; L366-N368 PolarHBondContact O-N 3.18Å; L366-L369 PolarHBondContact O-N 3.22Å; L366-Q370 VanDerWaalsContact O-CB 3.3Å; L366-Q370 WeakPolarHBondContact O-CB 3.29Å; L366-Q370 VanDerWaalsContact O-CG 3.3Å; L366-Q370 WeakPolarHBondContact O-CG 3.29Å; L366-Q370 PolarHBondContact O-N 2.76Å
367	V	98.1	Very high	97.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.7	-53.1	174.1	174.1	0	0	0	0	109	P130 V133 N364 L369 Q370 Y371	P130-V367 HydrophobicContact CG-CG1 3.77Å; V133-V367 HydrophobicContact CG2-CG1 4.17Å; V133-V367 HydrophobicContact CG2-CG2 4.3Å; N364-V367 HydrophobicContact CB-CB 3.98Å; N364-V367 HydrophobicContact CB-CG2 3.75Å; N364-V367 PolarHBondContact O-N 2.9Å; N364-V367 PolarHBondContact OD1-N 2.88Å; V367-L369 PolarHBondContact O-N 3.02Å; V367-Q370 PolarHBondContact O-N 2.84Å; V367-Y371 VanDerWaalsContact O-CB 3.26Å; V367-Y371 WeakPolarHBondContact O-CB 3.49Å; V367-Y371 PolarHBondContact O-N 2.84Å
368	N	97.8	Very high	97.8	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.059	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-47.4	-178.9	-176.1	-88	0	0	0	112.8	P104 L302 M328 N364 F365 L366 Q370 Y371	P104-N368 WeakPolarHBondContact O-CB 3.06Å; P104-N368 PolarHBondContact O-ND2 3.46Å; L302-N368 PolarHBondContact O-ND2 2.89Å; L302-N368 PolarHBondContact O-OD1 2.92Å; M328-N368 HydrophobicContact CE-CB 3.85Å; M328-N368 WeakPolarHBondContact CE-OD1 3.4Å; M328-N368 HydrophobicContact SD-CB 3.5Å; M328-N368 VanDerWaalsContact SD-CB 3.5Å; M328-N368 VanDerWaalsContact SD-CG 3.56Å; N364-N368 PolarHBondContact O-N 2.86Å; N364-N368 VanDerWaalsContact O-N 3.09Å; F365-N368 PolarHBondContact O-N 3.25Å; L366-N368 VanDerWaalsContact C-N 3.34Å; L366-N368 PolarHBondContact O-N 3.18Å; N368-Q370 VanDerWaalsContact C-N 3.33Å; N368-Q370 PolarHBondContact O-N 3.47Å; N368-Y371 WeakPolarHBondContact O-CB 3.3Å; N368-Y371 PolarHBondContact O-N 3.47Å
369	L	95.5	Very high	97.9	Very high	38 Å²	38	49 Å²	49	20%	0.199	22%	0.223	C	C	.	.	H	α-helix	trans	-65	-36.3	-176.9	179.5	64.2	0	0	0	112.5	H316 L320 F365 L366 V367	H316-L369 HydrophobicContact CB-CD1 3.83Å; L320-L369 HydrophobicContact CD1-CD2 3.56Å; L320-L369 HydrophobicContact CG-CD2 4.03Å; F365-L369 HydrophobicContact CE1-CD2 3.88Å; F365-L369 HydrophobicContact CZ-CD2 3.76Å; F365-L369 VanDerWaalsContact O-CB 3.23Å; F365-L369 WeakPolarHBondContact O-CB 3.31Å; F365-L369 PolarHBondContact O-N 2.73Å; L366-L369 PolarHBondContact O-N 3.22Å; V367-L369 PolarHBondContact O-N 3.02Å
370	Q	96.9	Very high	97.9	Very high	89 Å²	89	46.5 Å²	46.5	42%	0.416	22%	0.219	S	C	.	.	H	α-helix	trans	-89.8	-7	-179.8	-62.8	178	-45.7	0	0	112.7	A144 L366 V367 N368 R372	A144-Q370 HydrophobicContact CB-CB 3.89Å; L366-Q370 VanDerWaalsContact O-CB 3.3Å; L366-Q370 WeakPolarHBondContact O-CB 3.29Å; L366-Q370 VanDerWaalsContact O-CG 3.3Å; L366-Q370 WeakPolarHBondContact O-CG 3.29Å; L366-Q370 PolarHBondContact O-N 2.76Å; V367-Q370 PolarHBondContact O-N 2.84Å; N368-Q370 VanDerWaalsContact C-N 3.33Å; N368-Q370 PolarHBondContact O-N 3.47Å; Q370-R372 PolarHBondContact O-N 3Å
371	Y	98.6	Very high	98	Very high	11 Å²	11	47.2 Å²	47.2	4%	0.043	22%	0.222	C	C	.	.			trans	-67.8	124.2	-176	-161	-81.4	0	0	0	112.1	P104 T145 D147 V150 Y180 Y184 V367 N368 R373	P104-Y371 HydrophobicContact CB-CD1 4.05Å; P104-Y371 HydrophobicContact CB-CD2 3.61Å; P104-Y371 HydrophobicContact CB-CE1 4.24Å; P104-Y371 HydrophobicContact CB-CE2 3.79Å; P104-Y371 HydrophobicContact CB-CG 3.74Å; P104-Y371 HydrophobicContact CG-CD1 3.72Å; P104-Y371 HydrophobicContact CG-CD2 4.01Å; P104-Y371 HydrophobicContact CG-CE1 4.28Å; P104-Y371 HydrophobicContact CG-CG 3.58Å; T145-Y371 HydrophobicContact CG2-CD2 3.75Å; T145-Y371 HydrophobicContact CG2-CE2 3.76Å; D147-Y371 VanDerWaalsContact CA-OH 3.29Å; D147-Y371 WeakPolarHBondContact CA-OH 3.32Å; D147-Y371 PolarHBondContact N-OH 3.43Å; D147-Y371 WeakPolarHBondContact OD1-CE1 3.45Å; D147-Y371 PolarHBondContact OD1-OH 3.32Å; V150-Y371 HydrophobicContact CG2-CE2 3.85Å; Y180-Y371 AromaticContact CE1-CE1 3.97Å; Y180-Y371 HydrophobicContact CE1-CE1 3.97Å; Y180-Y371 AromaticContact CZ-CE1 3.92Å; Y180-Y371 WeakPolarHBondContact OH-CE1 3.49Å; Y184-Y371 HydrophobicContact CE1-CE2 4.41Å; Y184-Y371 WeakPolarHBondContact CE1-OH 3.29Å; V367-Y371 VanDerWaalsContact O-CB 3.26Å; V367-Y371 WeakPolarHBondContact O-CB 3.49Å; V367-Y371 PolarHBondContact O-N 2.84Å; N368-Y371 WeakPolarHBondContact O-CB 3.3Å; N368-Y371 PolarHBondContact O-N 3.47Å; Y371-R373 HydrophobicContact CD1-CG 4.15Å; Y371-R373 HydrophobicContact CE1-CG 4.43Å; Y371-R373 PolarHBondContact O-NH1 2.82Å
372	R	98.6	Very high	98	Very high	174 Å²	174	45.4 Å²	45.4	66%	0.657	21%	0.212	S	C	*	.	B	Isolated β-bridge	trans	-98.4	107.6	176.4	-173.2	-177.2	178	-177.7	-0.6	111.5	T145 N146 Q370 L374	T145-R372 PolarHBondContact O-N 3.49Å; N146-R372 VanDerWaalsContact CA-O 3.3Å; N146-R372 WeakPolarHBondContact CA-O 3.34Å; N146-R372 HydrophobicContact CB-CB 3.99Å; N146-R372 VanDerWaalsContact CB-O 3.22Å; N146-R372 WeakPolarHBondContact CB-O 3.37Å; Q370-R372 PolarHBondContact O-N 3Å; R372-L374 HydrophobicContact CG-CD2 3.83Å
373	R	98.4	Very high	98	Very high	62 Å²	62	48.2 Å²	48.2	23%	0.234	23%	0.227	C	C	.	.			trans	-72.7	120.7	171.9	-62.1	155.5	177.7	86.7	-5.1	109.8	P104 Y180 Y212 L302 G303 N304 Y371	P104-R373 VanDerWaalsContact CD-NH2 3.32Å; Y180-R373 HydrophobicContact CE2-CG 4.2Å; Y180-R373 WeakPolarHBondContact OH-CG 3.39Å; Y212-R373 VanDerWaalsContact OH-CD 3.28Å; Y212-R373 WeakPolarHBondContact OH-CD 3.42Å; Y212-R373 WeakPolarHBondContact OH-CG 3.03Å; L302-R373 PolarHBondContact O-NH2 2.88Å; G303-R373 PolarHBondContact O-NE 3.42Å; G303-R373 PolarHBondContact O-NH2 2.86Å; N304-R373 PolarHBondContact OD1-NE 3.09Å; N304-R373 PolarHBondContact OD1-NH2 2.98Å; Y371-R373 HydrophobicContact CD1-CG 4.15Å; Y371-R373 HydrophobicContact CE1-CG 4.43Å; Y371-R373 PolarHBondContact O-NH1 2.82Å
374	L	98.6	Very high	98.1	Very high	66 Å²	66	52.5 Å²	52.5	35%	0.346	25%	0.246	S	C	.	.			trans	-106.4	-43.5	-176.3	-60.6	-178.8	0	0	0	111.7	N146 D147 T148 R372	N146-L374 HydrophobicContact CB-CD1 3.9Å; N146-L374 HydrophobicContact CB-CG 4.12Å; N146-L374 WeakPolarHBondContact OD1-CD1 3.45Å; D147-L374 HydrophobicContact CB-CB 4.42Å; D147-L374 PolarHBondContact OD2-N 2.86Å; T148-L374 HydrophobicContact CG2-CD1 4Å; R372-L374 HydrophobicContact CG-CD2 3.83Å
375	Y	98.5	Very high	98.1	Very high	75 Å²	75	50.8 Å²	50.8	29%	0.294	24%	0.236	S	C	.	.			trans	-87.4	135.6	-177.5	-61.2	-77.2	0	0	0	111.7	D147 T148 T187 Y212 M378 Q381	D147-Y375 HydrophobicContact CB-CD2 3.59Å; D147-Y375 HydrophobicContact CB-CE2 3.75Å; D147-Y375 PolarHBondContact OD2-N 2.69Å; T148-Y375 HydrophobicContact CG2-CE2 4.11Å; T148-Y375 WeakPolarHBondContact CG2-OH 3.49Å; T187-Y375 HydrophobicContact CG2-CD2 3.96Å; T187-Y375 HydrophobicContact CG2-CE2 3.69Å; Y212-Y375 WeakPolarHBondContact CE2-O 3.5Å; Y375-M378 HydrophobicContact CD1-CE 4.25Å; Y375-M378 HydrophobicContact CD2-CE 4.04Å; Y375-M378 HydrophobicContact CG-CE 3.59Å; Y375-Q381 VanDerWaalsContact CE1-NE2 3.25Å
376	R	97.5	Very high	98.2	Very high	134 Å²	134	50.4 Å²	50.4	51%	0.506	24%	0.235	S	C	.	.	S	Bend	trans	-89.3	-26.6	175.7	-65.2	-172.9	176.1	-145.5	1.4	113.2	Y212	Y212-R376 WeakPolarHBondContact CD2-O 3.21Å; Y212-R376 PolarHBondContact N-O 3.35Å
377	S	98.8	Very high	98.3	Very high	32 Å²	32	51.8 Å²	51.8	22%	0.224	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-156.5	153.1	178.3	175.9	0	0	0	0	109.1	S210 N379 F412	S210-S377 CarbonylContact O-C 3.48Å; S210-S377 VanDerWaalsContact O-CA 3.27Å; S210-S377 WeakPolarHBondContact O-CA 3.45Å; S210-S377 PolarHBondContact O-OG 2.82Å; S377-N379 VanDerWaalsContact C-N 3.33Å; S377-N379 PolarHBondContact OG-N 3.11Å; S377-F412 WeakPolarHBondContact OG-CE2 3.48Å
378	M	98.9	Very high	98.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-88.8	6.3	175.8	-64.3	-66.6	96.7	0	0	114	G182 I183 P186 T187 S210 Y375 S380 Q381 Y382 F412	G182-M378 VanDerWaalsContact O-CG 3.29Å; G182-M378 WeakPolarHBondContact O-CG 3.33Å; I183-M378 HydrophobicContact CB-SD 4.49Å; I183-M378 HydrophobicContact CD1-CE 3.71Å; I183-M378 HydrophobicContact CD1-CG 3.89Å; I183-M378 HydrophobicContact CD1-SD 4.04Å; I183-M378 HydrophobicContact CG2-CE 4.13Å; I183-M378 HydrophobicContact CG2-SD 4.3Å; P186-M378 HydrophobicContact CB-CB 4.42Å; P186-M378 HydrophobicContact CB-CG 4.42Å; P186-M378 HydrophobicContact CB-SD 4.03Å; P186-M378 HydrophobicContact CG-CB 4.37Å; P186-M378 HydrophobicContact CG-CG 4.19Å; P186-M378 HydrophobicContact CG-SD 4.25Å; T187-M378 HydrophobicContact CG2-CE 4.36Å; T187-M378 HydrophobicContact CG2-SD 4.05Å; S210-M378 PolarHBondContact O-N 3.17Å; Y375-M378 HydrophobicContact CD1-CE 4.25Å; Y375-M378 HydrophobicContact CD2-CE 4.04Å; Y375-M378 HydrophobicContact CG-CE 3.59Å; M378-S380 VanDerWaalsContact C-N 3.29Å; M378-S380 PolarHBondContact O-N 2.85Å; M378-Q381 WeakPolarHBondContact O-CB 3.2Å; M378-Q381 PolarHBondContact O-N 3.21Å; M378-Q381 PolarHBondContact O-OE1 3.34Å; M378-Q381 HydrophobicContact SD-CG 4.22Å; M378-Y382 HydrophobicContact CB-CD2 3.65Å; M378-Y382 HydrophobicContact CB-CE2 3.69Å; M378-Y382 HydrophobicContact CG-CE2 4.49Å; M378-Y382 WeakPolarHBondContact O-CD2 3.22Å; M378-Y382 PolarHBondContact O-N 3.38Å; M378-F412 HydrophobicContact CB-CZ 4.05Å
379	N	98.8	Very high	98.1	Very high	52 Å²	52	57 Å²	57	28%	0.278	28%	0.278	S	S	.	.	H	α-helix	trans	-48.7	-49.1	-176.4	179.2	-82.5	0	0	0	112.3	S377 Q381 Y382 L383 F412	S377-N379 VanDerWaalsContact C-N 3.33Å; S377-N379 PolarHBondContact OG-N 3.11Å; N379-Q381 VanDerWaalsContact C-N 3.35Å; N379-Q381 PolarHBondContact O-N 2.89Å; N379-Y382 PolarHBondContact O-N 3.21Å; N379-L383 WeakPolarHBondContact O-CB 3.5Å; N379-L383 VanDerWaalsContact O-CG 3.31Å; N379-L383 WeakPolarHBondContact O-CG 3.2Å; N379-L383 PolarHBondContact O-N 3.08Å; N379-L383 VanDerWaalsContact OD1-CD1 3.26Å; N379-L383 WeakPolarHBondContact OD1-CD1 3.32Å; N379-F412 HydrophobicContact CB-CE2 4.13Å
380	S	98.8	Very high	98.2	Very high	70 Å²	70	62.1 Å²	62.1	49%	0.49	30%	0.298	S	S	.	.	H	α-helix	trans	-63.4	-36.4	179.5	47.9	0	0	0	0	114.1	M378 K384	M378-S380 VanDerWaalsContact C-N 3.29Å; M378-S380 PolarHBondContact O-N 2.85Å; S380-K384 WeakPolarHBondContact O-CB 3.4Å; S380-K384 PolarHBondContact O-N 3.1Å
381	Q	98.9	Very high	98.3	Very high	15 Å²	15	58.8 Å²	58.8	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-69.6	-48.9	-179.1	-70.8	70.5	8.9	0	0	109.5	P186 T187 V190 Y375 M378 N379 K384 L385	P186-Q381 HydrophobicContact CB-CB 3.72Å; P186-Q381 HydrophobicContact CB-CG 4.38Å; T187-Q381 HydrophobicContact CG2-CG 4.24Å; V190-Q381 HydrophobicContact CG2-CB 4.07Å; V190-Q381 HydrophobicContact CG2-CG 4.21Å; Y375-Q381 VanDerWaalsContact CE1-NE2 3.25Å; M378-Q381 WeakPolarHBondContact O-CB 3.2Å; M378-Q381 PolarHBondContact O-N 3.21Å; M378-Q381 PolarHBondContact O-OE1 3.34Å; M378-Q381 HydrophobicContact SD-CG 4.22Å; N379-Q381 VanDerWaalsContact C-N 3.35Å; N379-Q381 PolarHBondContact O-N 2.89Å; Q381-K384 PolarHBondContact O-N 3.18Å; Q381-L385 WeakPolarHBondContact O-CD1 3.36Å; Q381-L385 WeakPolarHBondContact O-CG 3.25Å; Q381-L385 PolarHBondContact O-N 2.87Å
382	Y	98.9	Very high	98.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-44.6	176.3	-80.8	-84.6	0	0	0	111.9	P186 L203 M378 N379 K384 L385 L386 I393 L395 F412 L416 I448	P186-Y382 HydrophobicContact CB-CD2 4.25Å; P186-Y382 HydrophobicContact CB-CE2 3.95Å; P186-Y382 HydrophobicContact CG-CD2 4.16Å; P186-Y382 HydrophobicContact CG-CE2 3.37Å; L203-Y382 HydrophobicContact CD1-CE1 3.88Å; M378-Y382 HydrophobicContact CB-CD2 3.65Å; M378-Y382 HydrophobicContact CB-CE2 3.69Å; M378-Y382 HydrophobicContact CG-CE2 4.49Å; M378-Y382 WeakPolarHBondContact O-CD2 3.22Å; M378-Y382 PolarHBondContact O-N 3.38Å; N379-Y382 PolarHBondContact O-N 3.21Å; Y382-K384 VanDerWaalsContact C-N 3.3Å; Y382-K384 PolarHBondContact O-N 3.15Å; Y382-L385 PolarHBondContact O-N 2.78Å; Y382-L386 VanDerWaalsContact O-CB 3.29Å; Y382-L386 WeakPolarHBondContact O-CB 3.26Å; Y382-L386 WeakPolarHBondContact O-CD1 3.18Å; Y382-L386 WeakPolarHBondContact O-CG 3.33Å; Y382-L386 PolarHBondContact O-N 3.48Å; Y382-I393 HydrophobicContact CD1-CD1 4.15Å; Y382-I393 HydrophobicContact CD1-CG2 3.84Å; Y382-I393 HydrophobicContact CE1-CG2 3.48Å; Y382-I393 VanDerWaalsContact CE1-CG2 3.48Å; Y382-L395 HydrophobicContact CD1-CD1 4.46Å; Y382-L395 HydrophobicContact CE1-CD1 3.59Å; Y382-F412 AromaticContact CD2-CE1 3.55Å; Y382-F412 HydrophobicContact CD2-CE1 3.55Å; Y382-F412 AromaticContact CD2-CZ 3.48Å; Y382-F412 HydrophobicContact CD2-CZ 3.48Å; Y382-F412 VanDerWaalsContact CD2-CZ 3.48Å; Y382-F412 AromaticContact CE2-CE1 3.68Å; Y382-F412 HydrophobicContact CE2-CE1 3.68Å; Y382-F412 AromaticContact CE2-CZ 3.93Å; Y382-F412 HydrophobicContact CE2-CZ 3.93Å; Y382-F412 HydrophobicContact CG-CE1 4.08Å; Y382-F412 HydrophobicContact CG-CZ 4.17Å; Y382-L416 HydrophobicContact CG-CD1 4.46Å; Y382-I448 HydrophobicContact CD1-CD1 4.18Å
383	L	98.8	Very high	98.3	Very high	67 Å²	67	51.6 Å²	51.6	35%	0.351	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-38.7	176.2	-72.4	179.5	0	0	0	112.4	N379 S387 L416	N379-L383 WeakPolarHBondContact O-CB 3.5Å; N379-L383 VanDerWaalsContact O-CG 3.31Å; N379-L383 WeakPolarHBondContact O-CG 3.2Å; N379-L383 PolarHBondContact O-N 3.08Å; N379-L383 VanDerWaalsContact OD1-CD1 3.26Å; N379-L383 WeakPolarHBondContact OD1-CD1 3.32Å; L383-S387 WeakPolarHBondContact O-CB 3.32Å; L383-S387 PolarHBondContact O-N 3.09Å; L383-L416 HydrophobicContact CD2-CB 4.43Å; L383-L416 HydrophobicContact CD2-CD2 4.21Å; L383-L416 HydrophobicContact CG-CD2 4.15Å
384	K	98.8	Very high	98.3	Very high	92 Å²	92	48.7 Å²	48.7	40%	0.4	25%	0.245	S	C	.	.	H	α-helix	trans	-67.4	-37.6	176	-172.7	175.8	179.5	-175.4	0	112.6	V190 M193 S380 Q381 Y382 S387	V190-K384 HydrophobicContact CG1-CD 3.88Å; V190-K384 HydrophobicContact CG2-CD 4.29Å; M193-K384 HydrophobicContact CE-CG 4.45Å; M193-K384 HydrophobicContact SD-CD 4.42Å; M193-K384 HydrophobicContact SD-CG 4.08Å; S380-K384 WeakPolarHBondContact O-CB 3.4Å; S380-K384 PolarHBondContact O-N 3.1Å; Q381-K384 PolarHBondContact O-N 3.18Å; Y382-K384 VanDerWaalsContact C-N 3.3Å; Y382-K384 PolarHBondContact O-N 3.15Å; K384-S387 PolarHBondContact O-OG 3.06Å
385	L	98.8	Very high	98.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.1	-45.6	175.6	-69.2	161.3	0	0	0	110.7	A189 V190 M193 L203 Q381 Y382 S387 S388 Y391 I393	A189-L385 HydrophobicContact CB-CD1 3.82Å; A189-L385 HydrophobicContact CB-CD2 3.8Å; A189-L385 HydrophobicContact CB-CG 4.46Å; V190-L385 HydrophobicContact CG2-CD1 4.43Å; V190-L385 HydrophobicContact CG2-CD2 4.48Å; V190-L385 HydrophobicContact CG2-CG 4.19Å; M193-L385 HydrophobicContact CB-CD2 4.37Å; M193-L385 HydrophobicContact CG-CD2 4.44Å; M193-L385 HydrophobicContact SD-CD2 3.82Å; M193-L385 HydrophobicContact SD-CG 4.49Å; L203-L385 HydrophobicContact CD1-CD1 4.44Å; L203-L385 HydrophobicContact CD2-CD1 3.96Å; Q381-L385 WeakPolarHBondContact O-CD1 3.36Å; Q381-L385 WeakPolarHBondContact O-CG 3.25Å; Q381-L385 PolarHBondContact O-N 2.87Å; Y382-L385 PolarHBondContact O-N 2.78Å; L385-S387 VanDerWaalsContact C-N 3.33Å; L385-S387 PolarHBondContact O-N 2.95Å; L385-S388 PolarHBondContact O-N 2.8Å; L385-S388 PolarHBondContact O-OG 2.73Å; L385-Y391 HydrophobicContact CB-CD2 4.3Å; L385-Y391 HydrophobicContact CD2-CD2 3.99Å; L385-Y391 HydrophobicContact CD2-CE2 4.06Å; L385-I393 HydrophobicContact CB-CD1 4.03Å
386	L	98.6	Very high	98.4	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-33.1	179	-72.8	165.2	0	0	0	112.8	Y382 S388 Q389 I393 L416 Q418 H447 I448	Y382-L386 VanDerWaalsContact O-CB 3.29Å; Y382-L386 WeakPolarHBondContact O-CB 3.26Å; Y382-L386 WeakPolarHBondContact O-CD1 3.18Å; Y382-L386 WeakPolarHBondContact O-CG 3.33Å; Y382-L386 PolarHBondContact O-N 3.48Å; L386-S388 PolarHBondContact O-N 2.98Å; L386-Q389 PolarHBondContact O-N 3.38Å; L386-Q389 PolarHBondContact O-NE2 2.83Å; L386-I393 HydrophobicContact CD2-CD1 3.87Å; L386-I393 HydrophobicContact CG-CD1 3.92Å; L386-L416 HydrophobicContact CD1-CD1 4.11Å; L386-Q418 HydrophobicContact CD1-CG 3.83Å; L386-H447 HydrophobicContact CD2-CB 3.93Å; L386-I448 HydrophobicContact CD1-CD1 4.43Å; L386-I448 HydrophobicContact CD1-CG2 4.34Å; L386-I448 HydrophobicContact CD2-CB 4.02Å; L386-I448 HydrophobicContact CD2-CG2 4.08Å
387	S	98	Very high	98.4	Very high	95 Å²	95	36.1 Å²	36.1	66%	0.664	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.6	179	70.3	0	0	0	0	113.4	L383 K384 L385	L383-S387 WeakPolarHBondContact O-CB 3.32Å; L383-S387 PolarHBondContact O-N 3.09Å; K384-S387 PolarHBondContact O-OG 3.06Å; L385-S387 VanDerWaalsContact C-N 3.33Å; L385-S387 PolarHBondContact O-N 2.95Å
388	S	96.3	Very high	98.5	Very high	33 Å²	33	34.6 Å²	34.6	23%	0.231	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-25.6	175.9	74.6	0	0	0	0	113.7	L385 L386 K390 Y391	L385-S388 PolarHBondContact O-N 2.8Å; L385-S388 PolarHBondContact O-OG 2.73Å; L386-S388 PolarHBondContact O-N 2.98Å; S388-K390 WeakPolarHBondContact O-CG 3.3Å; S388-K390 PolarHBondContact O-N 3.43Å; S388-K390 VanDerWaalsContact O-N 3.16Å; S388-K390 PolarHBondContact OG-N 2.82Å; S388-Y391 WeakPolarHBondContact OG-CD2 3.38Å; S388-Y391 WeakPolarHBondContact OG-CE2 3.34Å
389	Q	96	Very high	98.4	Very high	88 Å²	88	36.1 Å²	36.1	41%	0.411	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	27.9	-172	-56.2	-75.5	-76.4	0	0	113.3	L386 H447	L386-Q389 PolarHBondContact O-N 3.38Å; L386-Q389 PolarHBondContact O-NE2 2.83Å; Q389-H447 PolarHBondContact O-CD2 2.58Å; Q389-H447 PolarHBondContact O-NE2 2.9Å; Q389-H447 PolarHBondContact OE1-CE1 3.19Å; Q389-H447 PolarHBondContact OE1-ND1 2.88Å
390	K	97.7	Very high	98.5	Very high	145 Å²	145	34 Å²	34	63%	0.63	18%	0.18	S	C	*	.			trans	-102	-30.4	179.7	-67.7	177.5	-175.3	-179.1	0	113.1	S388	S388-K390 WeakPolarHBondContact O-CG 3.3Å; S388-K390 PolarHBondContact O-N 3.43Å; S388-K390 VanDerWaalsContact O-N 3.16Å; S388-K390 PolarHBondContact OG-N 2.82Å
391	Y	98.6	Very high	98.5	Very high	20 Å²	20	30.7 Å²	30.7	8%	0.078	16%	0.156	C	C	.	.			trans	-102.9	140.7	-165.7	-47.8	-52.2	0	0	0	111.1	M193 L200 Q201 L385 S388	M193-Y391 HydrophobicContact CB-CE2 3.92Å; M193-Y391 VanDerWaalsContact CB-OH 3.31Å; M193-Y391 WeakPolarHBondContact CB-OH 3.26Å; M193-Y391 HydrophobicContact CE-CE2 4.26Å; L200-Y391 HydrophobicContact CB-CD1 4.48Å; L200-Y391 HydrophobicContact CB-CE1 4.08Å; L200-Y391 HydrophobicContact CD2-CD1 4.12Å; L200-Y391 HydrophobicContact CD2-CE1 3.9Å; L200-Y391 HydrophobicContact CD2-CE2 4.49Å; L200-Y391 HydrophobicContact CG-CD1 3.95Å; L200-Y391 HydrophobicContact CG-CE1 3.93Å; L200-Y391 WeakPolarHBondContact O-CD1 3.3Å; L200-Y391 WeakPolarHBondContact O-CE1 3.3Å; Q201-Y391 WeakPolarHBondContact O-CA 3.48Å; L385-Y391 HydrophobicContact CB-CD2 4.3Å; L385-Y391 HydrophobicContact CD2-CD2 3.99Å; L385-Y391 HydrophobicContact CD2-CE2 4.06Å; S388-Y391 WeakPolarHBondContact OG-CD2 3.38Å; S388-Y391 WeakPolarHBondContact OG-CE2 3.34Å
392	Q	98.3	Very high	98.5	Very high	31 Å²	31	30 Å²	30	15%	0.145	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123.6	169.4	-174.8	174.2	-33.2	0	0	109.7	Q201 G202 L203 F475	Q201-Q392 PolarHBondContact O-N 2.93Å; G202-Q392 CarbonylContact C-O 3.51Å; G202-Q392 WeakPolarHBondContact CA-O 3.27Å; L203-Q392 PolarHBondContact N-O 3.28Å; Q392-F475 HydrophobicContact CB-CE2 4.38Å; Q392-F475 HydrophobicContact CG-CD2 4.14Å; Q392-F475 HydrophobicContact CG-CE2 3.95Å; Q392-F475 PolarHBondContact NE2-O 3.44Å
393	I	98.9	Very high	98.4	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.8	-176.1	-54.3	-173.9	0	0	0	109.7	L203 Y382 L385 L386 L395 H447 I448 A449	L203-I393 HydrophobicContact CD1-CG2 4.16Å; L203-I393 HydrophobicContact CD2-CD1 4.11Å; L203-I393 HydrophobicContact CD2-CG1 3.87Å; L203-I393 HydrophobicContact CG-CG1 4.12Å; L203-I393 HydrophobicContact CG-CG2 4.15Å; L203-I393 WeakPolarHBondContact O-CA 3.39Å; Y382-I393 HydrophobicContact CD1-CD1 4.15Å; Y382-I393 HydrophobicContact CD1-CG2 3.84Å; Y382-I393 HydrophobicContact CE1-CG2 3.48Å; Y382-I393 VanDerWaalsContact CE1-CG2 3.48Å; L385-I393 HydrophobicContact CB-CD1 4.03Å; L386-I393 HydrophobicContact CD2-CD1 3.87Å; L386-I393 HydrophobicContact CG-CD1 3.92Å; I393-L395 HydrophobicContact CG2-CD1 4.05Å; I393-H447 WeakPolarHBondContact CB-O 3.48Å; I393-H447 PolarHBondContact N-O 2.79Å; I393-I448 HydrophobicContact CB-CB 4.09Å; I393-I448 HydrophobicContact CB-CD1 4.39Å; I393-I448 HydrophobicContact CB-CG1 4.01Å; I393-I448 HydrophobicContact CG2-CB 4.44Å; I393-I448 HydrophobicContact CG2-CD1 3.83Å; I393-I448 HydrophobicContact CG2-CG1 3.83Å; I393-I448 VanDerWaalsContact O-CA 3.31Å; I393-I448 WeakPolarHBondContact O-CA 3.29Å; I393-A449 PolarHBondContact O-N 2.87Å
394	L	98.9	Very high	98.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.3	174	176.5	63.9	0	0	0	109.7	L203 A204 V205 Y396 A449 L451 M471 F475 Y481	L203-L394 PolarHBondContact O-N 2.9Å; A204-L394 CarbonylContact C-O 3.48Å; A204-L394 VanDerWaalsContact CA-O 3.22Å; A204-L394 WeakPolarHBondContact CA-O 3.18Å; A204-L394 HydrophobicContact CB-CB 4Å; A204-L394 HydrophobicContact CB-CD2 4.31Å; A204-L394 HydrophobicContact CB-CG 4.48Å; V205-L394 PolarHBondContact N-O 3.35Å; L394-Y396 HydrophobicContact CD2-CD1 4.02Å; L394-Y396 HydrophobicContact CG-CD1 4.1Å; L394-A449 HydrophobicContact CD1-CB 4.1Å; L394-L451 HydrophobicContact CD1-CB 4Å; L394-M471 HydrophobicContact CD2-CE 4.28Å; L394-M471 HydrophobicContact CD2-CG 3.95Å; L394-M471 HydrophobicContact CD2-SD 3.98Å; L394-F475 HydrophobicContact CB-CD2 3.78Å; L394-F475 HydrophobicContact CB-CE2 3.9Å; L394-F475 HydrophobicContact CD2-CB 4.18Å; L394-F475 HydrophobicContact CD2-CD2 4.11Å; L394-F475 HydrophobicContact CD2-CG 4.27Å; L394-Y481 HydrophobicContact CD1-CE1 4.32Å; L394-Y481 HydrophobicContact CD1-CE2 4.34Å; L394-Y481 HydrophobicContact CD2-CE1 4.07Å
395	L	98.9	Very high	98.4	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129	158.4	-74.8	78.7	0	0	0	107.3	V205 S210 Y382 I393 D409 F412 V413 I448 A449 F450 L451	V205-L395 WeakPolarHBondContact O-CA 3.33Å; S210-L395 WeakPolarHBondContact OG-CD2 3.43Å; Y382-L395 HydrophobicContact CD1-CD1 4.46Å; Y382-L395 HydrophobicContact CE1-CD1 3.59Å; I393-L395 HydrophobicContact CG2-CD1 4.05Å; L395-D409 HydrophobicContact CD2-CB 4.41Å; L395-F412 HydrophobicContact CD2-CD1 3.87Å; L395-F412 HydrophobicContact CD2-CE1 4.23Å; L395-V413 HydrophobicContact CB-CG2 4.14Å; L395-V413 HydrophobicContact CD1-CG2 3.97Å; L395-V413 HydrophobicContact CD2-CG2 3.83Å; L395-V413 HydrophobicContact CG-CG2 4.2Å; L395-I448 HydrophobicContact CD1-CD1 3.93Å; L395-I448 HydrophobicContact CD1-CG1 4.37Å; L395-A449 PolarHBondContact N-O 2.76Å; L395-F450 HydrophobicContact CB-CD2 4.41Å; L395-F450 CarbonylContact O-C 3.48Å; L395-F450 WeakPolarHBondContact O-CA 3.41Å; L395-L451 PolarHBondContact O-N 3.02Å
396	Y	98.9	Very high	98.4	Very high	10 Å²	10	24.9 Å²	24.9	4%	0.039	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.6	179.7	69.2	-91.2	0	0	0	111	A204 V205 G206 N207 L394 L451 I453 V460 M471	A204-Y396 HydrophobicContact CB-CE1 4.21Å; V205-Y396 WeakPolarHBondContact O-CD1 3.24Å; V205-Y396 PolarHBondContact O-N 3.42Å; G206-Y396 CarbonylContact C-O 3.57Å; G206-Y396 VanDerWaalsContact CA-O 3.25Å; G206-Y396 WeakPolarHBondContact CA-O 3.35Å; G206-Y396 VanDerWaalsContact N-CE1 3.33Å; N207-Y396 PolarHBondContact N-O 3Å; L394-Y396 HydrophobicContact CD2-CD1 4.02Å; L394-Y396 HydrophobicContact CG-CD1 4.1Å; Y396-L451 CarbonylContact C-O 3.55Å; Y396-L451 WeakPolarHBondContact CA-O 3.31Å; Y396-I453 HydrophobicContact CD2-CD1 3.68Å; Y396-I453 HydrophobicContact CG-CD1 4.19Å; Y396-V460 HydrophobicContact CD2-CB 4.4Å; Y396-V460 HydrophobicContact CD2-CG1 4.33Å; Y396-V460 HydrophobicContact CD2-CG2 4.27Å; Y396-V460 HydrophobicContact CE2-CB 4.07Å; Y396-V460 HydrophobicContact CE2-CG1 4.26Å; Y396-V460 HydrophobicContact CE2-CG2 4.28Å; Y396-M471 VanDerWaalsContact CB-SD 3.56Å; Y396-M471 HydrophobicContact CD1-CE 3.67Å; Y396-M471 HydrophobicContact CD1-SD 3.98Å; Y396-M471 HydrophobicContact CD2-CE 3.76Å; Y396-M471 HydrophobicContact CD2-SD 3.87Å; Y396-M471 HydrophobicContact CE1-CE 3.8Å; Y396-M471 HydrophobicContact CE2-CE 3.86Å; Y396-M471 HydrophobicContact CG-CE 3.65Å; Y396-M471 HydrophobicContact CG-SD 3.52Å; Y396-M471 VanDerWaalsContact CG-SD 3.52Å
397	N	98.9	Very high	98.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.5	-175.5	-66.7	71.7	0	0	0	111.2	N207 D399 C404 F406 D409 F450 L451 T452 I453	N207-N397 WeakPolarHBondContact CA-ND2 3.26Å; N207-N397 WeakPolarHBondContact OD1-CA 3.08Å; N397-D399 PolarHBondContact O-N 3.38Å; N397-C404 PolarHBondContact ND2-O 3.38Å; N397-F406 HydrophobicContact CB-CB 3.57Å; N397-D409 PolarHBondContact ND2-OD2 2.04Å; N397-D409 WeakPolarHBondContact OD1-CB 3.24Å; N397-D409 PolarHBondContact OD1-OD2 3.36Å; N397-F450 HydrophobicContact CB-CE2 4.5Å; N397-F450 WeakPolarHBondContact OD1-CE2 3.24Å; N397-L451 PolarHBondContact N-O 3.04Å; N397-T452 CarbonylContact O-C 3.57Å; N397-T452 VanDerWaalsContact O-CA 3.26Å; N397-T452 WeakPolarHBondContact O-CA 3.27Å; N397-I453 PolarHBondContact O-N 3.15Å
398	G	98.9	Very high	98.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	127.6	159.7	0	0	0	0	0	110.5	N207 V400 D401 A456 G457 V460	N207-G398 PolarHBondContact ND2-N 3.41Å; N207-G398 PolarHBondContact ND2-O 3.13Å; N207-G398 PolarHBondContact OD1-N 3.45Å; G398-V400 VanDerWaalsContact C-N 3.25Å; G398-V400 PolarHBondContact O-N 2.96Å; G398-D401 PolarHBondContact O-N 3.43Å; G398-A456 CarbonylContact C-O 3.53Å; G398-A456 WeakPolarHBondContact CA-O 3.4Å; G398-G457 WeakPolarHBondContact CA-O 3.45Å; G398-V460 VanDerWaalsContact N-CG2 3.33Å
399	D	98.8	Very high	98.6	Very high	32 Å²	32	21 Å²	21	17%	0.171	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	1.5	-171	68.5	0.6	0	0	0	115	F222 N397 F406 I453 K454 G455 A456	F222-D399 WeakPolarHBondContact CE2-O 3.11Å; N397-D399 PolarHBondContact O-N 3.38Å; D399-F406 HydrophobicContact CB-CB 4.48Å; D399-F406 HydrophobicContact CB-CD1 3.79Å; D399-F406 HydrophobicContact CB-CE1 4.25Å; D399-F406 HydrophobicContact CB-CG 4.12Å; D399-I453 PolarHBondContact N-O 3.36Å; D399-K454 WeakPolarHBondContact OD1-CA 3.39Å; D399-K454 WeakPolarHBondContact OD2-CA 3.39Å; D399-G455 PolarHBondContact OD1-N 3.43Å; D399-A456 PolarHBondContact N-O 2.86Å; D399-A456 VanDerWaalsContact N-O 3.12Å
400	V	98.9	Very high	98.8	Very high	8 Å²	8	18 Å²	18	5%	0.048	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	7.9	175	-47.8	0	0	0	0	113.6	N277 L278 Y279 G398 A456	N277-V400 WeakPolarHBondContact OD1-CG2 3.33Å; L278-V400 PolarHBondContact N-O 3.27Å; Y279-V400 HydrophobicContact CD2-CB 3.74Å; Y279-V400 HydrophobicContact CD2-CG1 3.58Å; Y279-V400 HydrophobicContact CD2-CG2 4.22Å; Y279-V400 HydrophobicContact CE2-CB 3.84Å; Y279-V400 HydrophobicContact CE2-CG1 3.41Å; Y279-V400 VanDerWaalsContact CE2-CG1 3.41Å; G398-V400 VanDerWaalsContact C-N 3.25Å; G398-V400 PolarHBondContact O-N 2.96Å; V400-A456 VanDerWaalsContact CG2-C 3.47Å; V400-A456 WeakPolarHBondContact CG2-O 3.35Å; V400-A456 PolarHBondContact N-O 3.26Å
401	D	98.9	Very high	98.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.			trans	-76.6	138.6	171	178.8	31.2	0	0	0	111.8	N207 G398 A403 C404 N405 H458	N207-D401 WeakPolarHBondContact ND2-CB 3.44Å; N207-D401 PolarHBondContact ND2-OD2 3Å; G398-D401 PolarHBondContact O-N 3.43Å; D401-A403 WeakPolarHBondContact OD1-CB 3Å; D401-A403 PolarHBondContact OD1-N 3.4Å; D401-C404 WeakPolarHBondContact OD2-CA 3.36Å; D401-C404 PolarHBondContact OD2-N 2.71Å; D401-C404 VanDerWaalsContact OD2-O 3.1Å; D401-N405 VanDerWaalsContact O-CA 3.32Å; D401-N405 WeakPolarHBondContact O-CA 3.06Å; D401-N405 WeakPolarHBondContact O-CB 3.39Å; D401-H458 HydrophobicContact CB-CB 4.43Å; D401-H458 VanDerWaalsContact CG-ND1 3.26Å; D401-H458 IonicContact OD1-CG 3.36Å; D401-H458 IonicContact OD1-ND1 2.85Å; D401-H458 PolarHBondContact OD1-ND1 2.77Å; D401-H458 IonicContact OD2-CE1 3.09Å; D401-H458 IonicContact OD2-CG 2.71Å; D401-H458 IonicContact OD2-ND1 3.63Å; D401-H458 PolarHBondContact OD2-ND1 3.24Å
402	M	98.8	Very high	98.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-108.6	-15.7	173.9	-61.6	-170.8	-66.8	0	0	112.9	L219 F222 L228 V268 L273 I275 L278	L219-M402 HydrophobicContact CD1-CB 3.9Å; L219-M402 WeakPolarHBondContact CD1-O 3.36Å; F222-M402 HydrophobicContact CD1-CG 3.84Å; F222-M402 HydrophobicContact CD1-SD 4.29Å; F222-M402 HydrophobicContact CE1-CG 3.47Å; F222-M402 VanDerWaalsContact CE1-CG 3.47Å; F222-M402 HydrophobicContact CE1-SD 4.05Å; F222-M402 HydrophobicContact CZ-CG 4.25Å; L228-M402 HydrophobicContact CD1-CE 4.41Å; L228-M402 HydrophobicContact CD1-SD 3.48Å; L228-M402 WeakPolarHBondContact CD1-SD 3.35Å; V268-M402 HydrophobicContact CG1-CB 4.27Å; V268-M402 HydrophobicContact CG1-CE 4.37Å; V268-M402 HydrophobicContact CG1-SD 4.34Å; L273-M402 HydrophobicContact CB-CE 4.32Å; I275-M402 HydrophobicContact CG1-CB 3.75Å; I275-M402 WeakPolarHBondContact O-CA 3.4Å; I275-M402 VanDerWaalsContact O-CB 3.32Å; I275-M402 WeakPolarHBondContact O-CB 3.28Å; I275-M402 PolarHBondContact O-N 3.33Å; L278-M402 HydrophobicContact CB-CE 4.26Å; L278-M402 HydrophobicContact CB-CG 4.48Å; L278-M402 HydrophobicContact CB-SD 4.28Å; L278-M402 HydrophobicContact CD1-CE 3.84Å; L278-M402 HydrophobicContact CD1-SD 3.95Å; L278-M402 HydrophobicContact CG-SD 4.47Å
403	A	98.4	Very high	98.9	Very high	10 Å²	10	13.3 Å²	13.3	8%	0.083	6%	0.063	C	C	.	.	S	Bend	trans	-75.1	-41.2	-179.1	0	0	0	0	0	112.4	N215 I275 Y276 I305 D401	N215-A403 PolarHBondContact ND2-O 3.17Å; I275-A403 HydrophobicContact CG1-CB 4.31Å; I275-A403 PolarHBondContact O-N 2.95Å; Y276-A403 HydrophobicContact CD1-CB 3.61Å; Y276-A403 HydrophobicContact CE1-CB 3.57Å; I305-A403 HydrophobicContact CD1-CB 4.49Å; D401-A403 WeakPolarHBondContact OD1-CB 3Å; D401-A403 PolarHBondContact OD1-N 3.4Å
404	C	98.7	Very high	98.8	Very high	7 Å²	7	15.8 Å²	15.8	5%	0.047	8%	0.076	C	C	.	.	S	Bend	trans	-138.6	66.9	173.5	-68.2	0	0	0	0	108.5	N207 N397 D401	N207-C404 VanDerWaalsContact C-CB 3.42Å; N207-C404 HydrophobicContact CB-CB 4.3Å; N207-C404 PolarHBondContact ND2-O 2.78Å; N207-C404 WeakPolarHBondContact O-CB 3.31Å; N207-C404 PolarHBondContact O-SG 3.09Å; N397-C404 PolarHBondContact ND2-O 3.38Å; D401-C404 WeakPolarHBondContact OD2-CA 3.36Å; D401-C404 PolarHBondContact OD2-N 2.71Å; D401-C404 VanDerWaalsContact OD2-O 3.1Å
405	N	98.9	Very high	98.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.094	C	C	.	.			trans	-59.6	145.8	-171.7	70.8	87.5	0	0	0	112.5	N215 S218 L219 F222 D401 M407 G408	N215-N405 PolarHBondContact OD1-ND2 2.76Å; S218-N405 WeakPolarHBondContact CB-OD1 3.2Å; S218-N405 PolarHBondContact OG-ND2 2.73Å; S218-N405 PolarHBondContact OG-OD1 3.44Å; L219-N405 PolarHBondContact N-ND2 3.01Å; F222-N405 HydrophobicContact CD2-CB 3.92Å; F222-N405 HydrophobicContact CE2-CB 4.34Å; F222-N405 HydrophobicContact CG-CB 4.4Å; D401-N405 VanDerWaalsContact O-CA 3.32Å; D401-N405 WeakPolarHBondContact O-CA 3.06Å; D401-N405 WeakPolarHBondContact O-CB 3.39Å; N405-M407 PolarHBondContact O-N 2.87Å; N405-M407 WeakPolarHBondContact OD1-CB 3.36Å; N405-M407 PolarHBondContact OD1-N 3.04Å; N405-G408 PolarHBondContact O-N 2.94Å; N405-G408 VanDerWaalsContact O-N 3.09Å; N405-G408 PolarHBondContact OD1-N 3.25Å
406	F	98.9	Very high	98.8	Very high	34 Å²	34	18.6 Å²	18.6	15%	0.149	10%	0.096	C	C	.	.	H	α-helix	trans	-55.3	-31.9	-174.6	81.3	-85.3	0	0	0	114.1	F222 N397 D399 D409 E410 F450 T452	F222-F406 HydrophobicContact CD2-CE1 4.29Å; F222-F406 HydrophobicContact CE2-CD1 4.24Å; F222-F406 HydrophobicContact CE2-CE1 4.07Å; N397-F406 HydrophobicContact CB-CB 3.57Å; D399-F406 HydrophobicContact CB-CB 4.48Å; D399-F406 HydrophobicContact CB-CD1 3.79Å; D399-F406 HydrophobicContact CB-CE1 4.25Å; D399-F406 HydrophobicContact CB-CG 4.12Å; F406-D409 PolarHBondContact O-N 3.46Å; F406-E410 WeakPolarHBondContact O-CB 3.41Å; F406-E410 PolarHBondContact O-N 2.66Å; F406-F450 HydrophobicContact CB-CZ 4.19Å; F406-F450 HydrophobicContact CD2-CZ 4.35Å; F406-F450 VanDerWaalsContact O-CZ 3.25Å; F406-F450 WeakPolarHBondContact O-CZ 3.36Å; F406-T452 HydrophobicContact CB-CG2 4.13Å; F406-T452 HydrophobicContact CD2-CG2 3.74Å; F406-T452 HydrophobicContact CG-CG2 4.16Å
407	M	98.9	Very high	98.7	Very high	44 Å²	44	25.1 Å²	25.1	22%	0.217	13%	0.131	C	C	.	.	H	α-helix	trans	-68.8	-36.6	-177	-174.7	-176.3	-58	0	0	111.5	N405 E410 W411	N405-M407 PolarHBondContact O-N 2.87Å; N405-M407 WeakPolarHBondContact OD1-CB 3.36Å; N405-M407 PolarHBondContact OD1-N 3.04Å; M407-E410 PolarHBondContact O-N 3.37Å; M407-W411 HydrophobicContact CG-CD2 4.18Å; M407-W411 HydrophobicContact CG-CH2 4.43Å; M407-W411 HydrophobicContact CG-CZ2 3.69Å; M407-W411 WeakPolarHBondContact O-CB 3.25Å; M407-W411 PolarHBondContact O-N 3.18Å; M407-W411 HydrophobicContact SD-CH2 3.99Å; M407-W411 HydrophobicContact SD-CZ2 3.4Å; M407-W411 WeakPolarHBondContact SD-CZ2 3.19Å
408	G	98.9	Very high	98.6	Very high	3 Å²	3	27.3 Å²	27.3	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-41.4	177.9	0	0	0	0	0	112.2	S218 N405 F412	S218-G408 WeakPolarHBondContact OG-CA 3.33Å; S218-G408 PolarHBondContact OG-N 3.04Å; S218-G408 VanDerWaalsContact OG-N 3.15Å; N405-G408 PolarHBondContact O-N 2.94Å; N405-G408 VanDerWaalsContact O-N 3.09Å; N405-G408 PolarHBondContact OD1-N 3.25Å; G408-F412 WeakPolarHBondContact O-CB 3.02Å; G408-F412 PolarHBondContact O-N 3.28Å
409	D	98.9	Very high	98.3	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-75.9	-32.9	175.3	-82.4	-40.6	0	0	0	112.9	G208 S210 L395 N397 F406 F412 V413 F450	G208-D409 PolarHBondContact N-OD2 3.23Å; S210-D409 WeakPolarHBondContact CB-OD1 3.46Å; S210-D409 PolarHBondContact OG-OD1 3.23Å; L395-D409 HydrophobicContact CD2-CB 4.41Å; N397-D409 PolarHBondContact ND2-OD2 2.04Å; N397-D409 WeakPolarHBondContact OD1-CB 3.24Å; N397-D409 PolarHBondContact OD1-OD2 3.36Å; F406-D409 PolarHBondContact O-N 3.46Å; D409-F412 WeakPolarHBondContact O-CB 3.36Å; D409-F412 PolarHBondContact O-N 2.97Å; D409-F412 VanDerWaalsContact O-N 3.15Å; D409-V413 WeakPolarHBondContact O-CG2 3.12Å; D409-V413 PolarHBondContact O-N 3.31Å; D409-F450 HydrophobicContact CB-CD2 4.48Å; D409-F450 HydrophobicContact CB-CE2 3.99Å
410	E	98.9	Very high	98.1	Very high	24 Å²	24	37.8 Å²	37.8	11%	0.112	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-47.3	172.2	-168.7	159.8	-173.3	0	0	110.4	F406 M407 F412 V413 D414 R424 F450	F406-E410 WeakPolarHBondContact O-CB 3.41Å; F406-E410 PolarHBondContact O-N 2.66Å; M407-E410 PolarHBondContact O-N 3.37Å; E410-F412 VanDerWaalsContact C-N 3.25Å; E410-F412 PolarHBondContact O-N 3.21Å; E410-V413 PolarHBondContact O-N 3.3Å; E410-D414 WeakPolarHBondContact O-CB 3.18Å; E410-D414 VanDerWaalsContact O-CG 3.29Å; E410-D414 PolarHBondContact O-N 3.44Å; E410-R424 IonicContact OE1-CZ 2.88Å; E410-R424 IonicContact OE1-NE 3.71Å; E410-R424 PolarHBondContact OE1-NE 2.89Å; E410-R424 IonicContact OE1-NH2 3.77Å; E410-R424 PolarHBondContact OE1-NH2 2.98Å; E410-R424 IonicContact OE2-CZ 3.95Å; E410-R424 IonicContact OE2-NE 2.69Å; E410-R424 IonicContact OE2-NH2 3.72Å; E410-R424 PolarHBondContact OE2-NH2 3.35Å; E410-F450 HydrophobicContact CB-CD1 3.89Å; E410-F450 HydrophobicContact CB-CD2 4.36Å; E410-F450 HydrophobicContact CB-CE1 3.46Å; E410-F450 VanDerWaalsContact CB-CE1 3.46Å; E410-F450 HydrophobicContact CB-CE2 3.97Å; E410-F450 HydrophobicContact CB-CG 4.32Å; E410-F450 HydrophobicContact CB-CZ 3.51Å; E410-F450 VanDerWaalsContact CD-CE1 3.45Å; E410-F450 HydrophobicContact CG-CD1 3.64Å; E410-F450 HydrophobicContact CG-CE1 3.53Å; E410-F450 HydrophobicContact CG-CG 4.32Å; E410-F450 HydrophobicContact CG-CZ 4.14Å; E410-F450 WeakPolarHBondContact OE2-CE1 3.43Å
411	W	98.8	Very high	97.7	Very high	97 Å²	97	42.9 Å²	42.9	37%	0.367	21%	0.211	S	C	.	.	H	α-helix	trans	-60.2	-37.5	173.6	-67.3	-4.6	0	0	0	111.7	Q214 N217 Y221 M407 D414 S415	Q214-W411 PolarHBondContact OE1-O 3.23Å; N217-W411 HydrophobicContact CB-CZ3 4.25Å; Y221-W411 AromaticContact CD2-CH2 3.91Å; Y221-W411 HydrophobicContact CD2-CH2 3.91Å; Y221-W411 HydrophobicContact CE2-CH2 4.19Å; M407-W411 HydrophobicContact CG-CD2 4.18Å; M407-W411 HydrophobicContact CG-CH2 4.43Å; M407-W411 HydrophobicContact CG-CZ2 3.69Å; M407-W411 WeakPolarHBondContact O-CB 3.25Å; M407-W411 PolarHBondContact O-N 3.18Å; M407-W411 HydrophobicContact SD-CH2 3.99Å; M407-W411 HydrophobicContact SD-CZ2 3.4Å; M407-W411 WeakPolarHBondContact SD-CZ2 3.19Å; W411-D414 PolarHBondContact O-N 2.96Å; W411-S415 VanDerWaalsContact O-CB 3.31Å; W411-S415 WeakPolarHBondContact O-CB 3.4Å; W411-S415 PolarHBondContact O-N 2.97Å
412	F	98.9	Very high	97.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-50.7	-179	172	-99.3	0	0	0	110.5	S210 S377 M378 N379 Y382 L395 G408 D409 E410 D414 S415 L416	S210-F412 VanDerWaalsContact CB-CD1 3.45Å; S377-F412 WeakPolarHBondContact OG-CE2 3.48Å; M378-F412 HydrophobicContact CB-CZ 4.05Å; N379-F412 HydrophobicContact CB-CE2 4.13Å; Y382-F412 AromaticContact CD2-CE1 3.55Å; Y382-F412 HydrophobicContact CD2-CE1 3.55Å; Y382-F412 AromaticContact CD2-CZ 3.48Å; Y382-F412 HydrophobicContact CD2-CZ 3.48Å; Y382-F412 VanDerWaalsContact CD2-CZ 3.48Å; Y382-F412 AromaticContact CE2-CE1 3.68Å; Y382-F412 HydrophobicContact CE2-CE1 3.68Å; Y382-F412 AromaticContact CE2-CZ 3.93Å; Y382-F412 HydrophobicContact CE2-CZ 3.93Å; Y382-F412 HydrophobicContact CG-CE1 4.08Å; Y382-F412 HydrophobicContact CG-CZ 4.17Å; L395-F412 HydrophobicContact CD2-CD1 3.87Å; L395-F412 HydrophobicContact CD2-CE1 4.23Å; G408-F412 WeakPolarHBondContact O-CB 3.02Å; G408-F412 PolarHBondContact O-N 3.28Å; D409-F412 WeakPolarHBondContact O-CB 3.36Å; D409-F412 PolarHBondContact O-N 2.97Å; D409-F412 VanDerWaalsContact O-N 3.15Å; E410-F412 VanDerWaalsContact C-N 3.25Å; E410-F412 PolarHBondContact O-N 3.21Å; F412-D414 VanDerWaalsContact C-N 3.31Å; F412-D414 PolarHBondContact O-N 3.01Å; F412-S415 WeakPolarHBondContact O-CB 3.44Å; F412-S415 PolarHBondContact O-N 3.29Å; F412-S415 VanDerWaalsContact O-N 3.14Å; F412-S415 PolarHBondContact O-OG 3.12Å; F412-L416 HydrophobicContact CE1-CD1 4.21Å; F412-L416 HydrophobicContact CZ-CD2 4.17Å; F412-L416 PolarHBondContact O-N 2.74Å
413	V	98.8	Very high	97.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-61.4	-42.1	178.4	176.1	0	0	0	0	110.9	L395 D409 E410 S415 L416 F445 I448 F450	L395-V413 HydrophobicContact CB-CG2 4.14Å; L395-V413 HydrophobicContact CD1-CG2 3.97Å; L395-V413 HydrophobicContact CD2-CG2 3.83Å; L395-V413 HydrophobicContact CG-CG2 4.2Å; D409-V413 WeakPolarHBondContact O-CG2 3.12Å; D409-V413 PolarHBondContact O-N 3.31Å; E410-V413 PolarHBondContact O-N 3.3Å; V413-S415 VanDerWaalsContact C-N 3.3Å; V413-S415 PolarHBondContact O-N 2.91Å; V413-L416 WeakPolarHBondContact O-CB 3.5Å; V413-L416 PolarHBondContact O-N 2.89Å; V413-L416 VanDerWaalsContact O-N 3.15Å; V413-F445 HydrophobicContact CG1-CD2 4.06Å; V413-F445 HydrophobicContact CG1-CE2 3.91Å; V413-I448 HydrophobicContact CG1-CD1 4.12Å; V413-I448 HydrophobicContact CG1-CG1 4.19Å; V413-I448 HydrophobicContact CG2-CD1 4.28Å; V413-F450 HydrophobicContact CB-CB 4.15Å; V413-F450 HydrophobicContact CG1-CB 4.1Å; V413-F450 HydrophobicContact CG2-CB 4.12Å; V413-F450 HydrophobicContact CG2-CD2 4.38Å
414	D	98.6	Very high	97.2	Very high	54 Å²	54	56.6 Å²	56.6	29%	0.289	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-38.5	176	-76.8	-5.3	0	0	0	112.4	E410 W411 F412 L416 N417 K443 F445	E410-D414 WeakPolarHBondContact O-CB 3.18Å; E410-D414 VanDerWaalsContact O-CG 3.29Å; E410-D414 PolarHBondContact O-N 3.44Å; W411-D414 PolarHBondContact O-N 2.96Å; F412-D414 VanDerWaalsContact C-N 3.31Å; F412-D414 PolarHBondContact O-N 3.01Å; D414-L416 PolarHBondContact O-N 3.09Å; D414-N417 PolarHBondContact O-N 3.41Å; D414-K443 WeakPolarHBondContact OD1-CE 3.36Å; D414-K443 IonicContact OD1-NZ 3.61Å; D414-K443 PolarHBondContact OD1-NZ 2.77Å; D414-K443 IonicContact OD2-NZ 3.95Å; D414-K443 PolarHBondContact OD2-NZ 3.2Å; D414-F445 WeakPolarHBondContact OD1-CZ 3.49Å
415	S	98.5	Very high	97.1	Very high	54 Å²	54	59.6 Å²	59.6	38%	0.378	28%	0.283	S	S	.	.	H	α-helix	trans	-67.3	-15.8	178.7	79	0	0	0	0	113.9	Q214 W411 F412 V413 N417	Q214-S415 PolarHBondContact NE2-OG 3.05Å; W411-S415 VanDerWaalsContact O-CB 3.31Å; W411-S415 WeakPolarHBondContact O-CB 3.4Å; W411-S415 PolarHBondContact O-N 2.97Å; F412-S415 WeakPolarHBondContact O-CB 3.44Å; F412-S415 PolarHBondContact O-N 3.29Å; F412-S415 VanDerWaalsContact O-N 3.14Å; F412-S415 PolarHBondContact O-OG 3.12Å; V413-S415 VanDerWaalsContact C-N 3.3Å; V413-S415 PolarHBondContact O-N 2.91Å; S415-N417 PolarHBondContact O-N 3.25Å
416	L	98.4	Very high	97.1	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.037	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-15	171.9	-58.8	171.9	0	0	0	112.1	Y382 L383 L386 F412 V413 D414 Q418 I448	Y382-L416 HydrophobicContact CG-CD1 4.46Å; L383-L416 HydrophobicContact CD2-CB 4.43Å; L383-L416 HydrophobicContact CD2-CD2 4.21Å; L383-L416 HydrophobicContact CG-CD2 4.15Å; L386-L416 HydrophobicContact CD1-CD1 4.11Å; F412-L416 HydrophobicContact CE1-CD1 4.21Å; F412-L416 HydrophobicContact CZ-CD2 4.17Å; F412-L416 PolarHBondContact O-N 2.74Å; V413-L416 WeakPolarHBondContact O-CB 3.5Å; V413-L416 PolarHBondContact O-N 2.89Å; V413-L416 VanDerWaalsContact O-N 3.15Å; D414-L416 PolarHBondContact O-N 3.09Å; L416-Q418 VanDerWaalsContact C-N 3.26Å; L416-Q418 HydrophobicContact CB-CG 4.09Å; L416-Q418 PolarHBondContact O-N 3.26Å; L416-Q418 PolarHBondContact O-NE2 3.01Å; L416-I448 HydrophobicContact CD1-CD1 3.6Å
417	N	96.9	Very high	97.1	Very high	146 Å²	146	60.6 Å²	60.6	78%	0.781	29%	0.293	S	S	*	.			trans	50.8	42.5	174.3	-163.7	44.7	0	0	0	113.6	D414 S415	D414-N417 PolarHBondContact O-N 3.41Å; S415-N417 PolarHBondContact O-N 3.25Å
418	Q	96.5	Very high	97.1	Very high	46 Å²	46	61.3 Å²	61.3	22%	0.215	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-77.8	163.4	176.3	-60.2	-55.9	-67.7	0	0	111.2	L386 L416 M420 F445 I448	L386-Q418 HydrophobicContact CD1-CG 3.83Å; L416-Q418 VanDerWaalsContact C-N 3.26Å; L416-Q418 HydrophobicContact CB-CG 4.09Å; L416-Q418 PolarHBondContact O-N 3.26Å; L416-Q418 PolarHBondContact O-NE2 3.01Å; Q418-M420 PolarHBondContact O-N 3.35Å; Q418-F445 HydrophobicContact CB-CB 3.91Å; Q418-F445 HydrophobicContact CB-CD1 4.25Å; Q418-F445 HydrophobicContact CB-CG 4.33Å; Q418-F445 VanDerWaalsContact O-CD1 3.29Å; Q418-F445 WeakPolarHBondContact O-CD1 3.26Å; Q418-I448 HydrophobicContact CB-CG2 4.39Å; Q418-I448 HydrophobicContact CG-CG2 4.12Å
419	K	93.4	Very high	97.1	Very high	160 Å²	160	61.3 Å²	61.3	70%	0.696	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-66.8	118.1	176.6	-177.3	-176.3	175.2	-170.8	0	109.9	E421 F445 S446	K419-E421 PolarHBondContact O-N 3.5Å; K419-F445 CarbonylContact O-C 3.59Å; K419-F445 VanDerWaalsContact O-CA 3.29Å; K419-F445 WeakPolarHBondContact O-CA 3.21Å; K419-F445 WeakPolarHBondContact O-CB 3.31Å; K419-S446 PolarHBondContact O-N 3.15Å
420	M	93.6	Very high	97.1	Very high	92 Å²	92	67.9 Å²	67.9	45%	0.453	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.2	175	-170.4	178.7	-60.5	0	0	110	Q418 F445	Q418-M420 PolarHBondContact O-N 3.35Å; M420-F445 HydrophobicContact CB-CD1 3.97Å; M420-F445 HydrophobicContact CB-CE1 4.09Å; M420-F445 HydrophobicContact CE-CE1 4.11Å; M420-F445 HydrophobicContact CE-CZ 4.4Å; M420-F445 HydrophobicContact CG-CD1 4.46Å; M420-F445 HydrophobicContact CG-CE1 4.43Å
421	E	90.1	Very high	96.9	Very high	116 Å²	116	70.6 Å²	70.6	54%	0.542	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-37.7	175.9	-71	-173.7	172.7	0	0	110.9	K419 E444 S446	K419-E421 PolarHBondContact O-N 3.5Å; E421-E444 PolarHBondContact N-O 3.44Å; E421-S446 VanDerWaalsContact CD-CA 3.46Å; E421-S446 WeakPolarHBondContact OE1-CA 3.5Å; E421-S446 WeakPolarHBondContact OE1-CB 3.49Å; E421-S446 PolarHBondContact OE1-OG 3.37Å
422	V	91.9	Very high	96.8	Very high	49 Å²	49	68.4 Å²	68.4	30%	0.297	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.8	-179.6	-168	0	0	0	0	110.2	R425 E444	V422-R425 HydrophobicContact CG1-CG 4.43Å; V422-E444 HydrophobicContact CB-CB 3.88Å; V422-E444 HydrophobicContact CB-CG 4.28Å; V422-E444 WeakPolarHBondContact CB-OE2 3.44Å; V422-E444 HydrophobicContact CG2-CB 4.01Å; V422-E444 HydrophobicContact CG2-CG 4.47Å; V422-E444 WeakPolarHBondContact CG2-OE2 3.4Å; V422-E444 PolarHBondContact N-O 3.26Å; V422-E444 PolarHBondContact O-N 2.96Å
423	Q	95.6	Very high	96.6	Very high	159 Å²	159	76.9 Å²	76.9	74%	0.743	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	148	172.7	-171	176.8	18.1	0	0	110.1	R425	Q423-R425 PolarHBondContact O-N 3.48Å
424	R	98.2	Very high	96.5	Very high	90 Å²	90	81.1 Å²	81.1	34%	0.34	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.3	123.5	178.4	-163.6	-180	-160.5	-90	5.9	111	E410 F441 V442 K443	E410-R424 IonicContact OE1-CZ 2.88Å; E410-R424 IonicContact OE1-NE 3.71Å; E410-R424 PolarHBondContact OE1-NE 2.89Å; E410-R424 IonicContact OE1-NH2 3.77Å; E410-R424 PolarHBondContact OE1-NH2 2.98Å; E410-R424 IonicContact OE2-CZ 3.95Å; E410-R424 IonicContact OE2-NE 2.69Å; E410-R424 IonicContact OE2-NH2 3.72Å; E410-R424 PolarHBondContact OE2-NH2 3.35Å; R424-F441 HydrophobicContact CG-CB 4.47Å; R424-F441 VanDerWaalsContact NH1-CB 3.26Å; R424-V442 CarbonylContact C-O 3.43Å; R424-V442 VanDerWaalsContact CA-O 3.27Å; R424-V442 WeakPolarHBondContact CA-O 3.43Å; R424-K443 HydrophobicContact CB-CB 4.46Å; R424-K443 HydrophobicContact CB-CG 4.45Å; R424-K443 HydrophobicContact CG-CB 4.38Å
425	R	98.4	Very high	96.4	Very high	69 Å²	69	79.9 Å²	79.9	26%	0.26	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.4	-175.8	62.7	179.4	179	82.8	0.6	110.7	V422 Q423 F441 V442 E444 Y481	V422-R425 HydrophobicContact CG1-CG 4.43Å; Q423-R425 PolarHBondContact O-N 3.48Å; R425-F441 CarbonylContact O-C 3.05Å; R425-F441 VanDerWaalsContact O-CA 3.31Å; R425-F441 WeakPolarHBondContact O-CA 3.42Å; R425-V442 HydrophobicContact CG-CG1 3.69Å; R425-V442 PolarHBondContact N-O 2.81Å; R425-V442 PolarHBondContact O-N 3.03Å; R425-E444 IonicContact CZ-OE2 3.92Å; R425-E444 IonicContact NE-OE2 2.83Å; R425-E444 PolarHBondContact NE-OE2 3.38Å; R425-E444 IonicContact NH2-OE1 2.79Å; R425-E444 IonicContact NH2-OE2 3.41Å; R425-E444 PolarHBondContact NH2-OE2 2.89Å; R425-Y481 VanDerWaalsContact CZ-O 3.31Å; R425-Y481 PolarHBondContact NH1-O 2.95Å; R425-Y481 PolarHBondContact NH2-O 2.97Å
426	P	98.6	Very high	96.4	Very high	55 Å²	55	83.1 Å²	83.1	36%	0.357	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	151.6	168.9	29.6	-34.4	0	0	0	110.8	I438 G440 F441	P426-I438 HydrophobicContact CB-CD1 4.12Å; P426-I438 HydrophobicContact CB-CG1 4.07Å; P426-I438 HydrophobicContact CB-CG2 3.92Å; P426-G440 VanDerWaalsContact CA-O 3.26Å; P426-G440 WeakPolarHBondContact CA-O 3.42Å; P426-F441 HydrophobicContact CB-CD1 4.39Å; P426-F441 HydrophobicContact CB-CE1 4.3Å
427	W	98.7	Very high	96.4	Very high	1 Å²	1	87.6 Å²	87.6	0%	0.004	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149	167.2	71.8	-81.3	0	0	0	110	V429 A439 G440 V442 L451 T452 I453 A467 M471 Y481	W427-V429 HydrophobicContact CE3-CG2 4.01Å; W427-V429 HydrophobicContact CH2-CG2 3.93Å; W427-V429 HydrophobicContact CZ3-CG2 3.37Å; W427-A439 HydrophobicContact CD2-CB 3.84Å; W427-A439 HydrophobicContact CE3-CB 3.88Å; W427-A439 HydrophobicContact CH2-CB 3.52Å; W427-A439 HydrophobicContact CZ2-CB 3.41Å; W427-A439 VanDerWaalsContact CZ2-CB 3.41Å; W427-A439 HydrophobicContact CZ3-CB 3.75Å; W427-A439 PolarHBondContact O-N 3.46Å; W427-G440 VanDerWaalsContact CD1-O 3.29Å; W427-G440 PolarHBondContact N-O 3.43Å; W427-V442 HydrophobicContact CB-CG1 4.21Å; W427-L451 HydrophobicContact CD2-CD1 4.15Å; W427-L451 HydrophobicContact CD2-CD2 4.45Å; W427-L451 HydrophobicContact CG-CD1 4.16Å; W427-L451 HydrophobicContact CZ2-CD2 3.66Å; W427-T452 PolarHBondContact NE1-O 3.37Å; W427-I453 HydrophobicContact CZ2-CG1 4.06Å; W427-A467 HydrophobicContact CH2-CB 3.89Å; W427-M471 HydrophobicContact CH2-CB 4.02Å; W427-M471 HydrophobicContact CZ3-CB 4.23Å; W427-Y481 WeakPolarHBondContact CB-OXT 3.4Å
428	L	98.6	Very high	96.5	Very high	60 Å²	60	84.2 Å²	84.2	31%	0.314	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	144.5	-164.7	-53.8	-179	0	0	0	112.3	E436 Q437 I438 R474	L428-E436 HydrophobicContact CB-CB 4.49Å; L428-E436 HydrophobicContact CD1-CB 4.45Å; L428-Q437 WeakPolarHBondContact CA-O 3.36Å; L428-I438 HydrophobicContact CD2-CB 4.44Å; L428-I438 HydrophobicContact CD2-CG1 3.81Å; L428-R474 PolarHBondContact O-NH1 3.34Å; L428-R474 PolarHBondContact O-NH2 3.43Å
429	V	98.6	Very high	96.6	Very high	3 Å²	3	82.3 Å²	82.3	2%	0.018	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.3	171.1	174.5	0	0	0	0	108.6	W427 Y431 Q437 A439 L466 A467 T470	W427-V429 HydrophobicContact CE3-CG2 4.01Å; W427-V429 HydrophobicContact CH2-CG2 3.93Å; W427-V429 HydrophobicContact CZ3-CG2 3.37Å; V429-Y431 HydrophobicContact CB-CD2 4.42Å; V429-Y431 HydrophobicContact CB-CE2 3.86Å; V429-Y431 HydrophobicContact CG1-CD2 4.11Å; V429-Y431 HydrophobicContact CG1-CE2 3.67Å; V429-Q437 PolarHBondContact N-O 2.85Å; V429-Q437 PolarHBondContact O-N 3.29Å; V429-A439 HydrophobicContact CB-CB 3.99Å; V429-A439 HydrophobicContact CG2-CB 3.45Å; V429-A439 VanDerWaalsContact CG2-CB 3.45Å; V429-L466 HydrophobicContact CG1-CD2 3.99Å; V429-L466 HydrophobicContact CG1-CG 3.9Å; V429-A467 HydrophobicContact CG2-CB 4.2Å; V429-T470 HydrophobicContact CG2-CG2 4.04Å
430	K	98	Very high	96.9	Very high	143 Å²	143	74.7 Å²	74.7	62%	0.622	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.8	176.3	-170.6	-178.9	179.8	-173.9	0	110.6	G435 E436	K430-G435 WeakPolarHBondContact CA-O 3.48Å; K430-E436 HydrophobicContact CB-CG 4.23Å; K430-E436 HydrophobicContact CG-CG 4.47Å
431	Y	96.4	Very high	97.1	Very high	81 Å²	81	73.9 Å²	73.9	32%	0.318	38%	0.382	S	S	.	.			trans	-104.4	72.9	178.7	-76.8	-91.5	0	0	0	111.1	V429 D433 S434 G435 Q437 L466	V429-Y431 HydrophobicContact CB-CD2 4.42Å; V429-Y431 HydrophobicContact CB-CE2 3.86Å; V429-Y431 HydrophobicContact CG1-CD2 4.11Å; V429-Y431 HydrophobicContact CG1-CE2 3.67Å; Y431-D433 PolarHBondContact O-N 2.8Å; Y431-S434 VanDerWaalsContact O-CB 3.31Å; Y431-S434 WeakPolarHBondContact O-CB 3.21Å; Y431-S434 PolarHBondContact O-N 3.29Å; Y431-G435 PolarHBondContact N-O 3.37Å; Y431-Q437 HydrophobicContact CD2-CB 4.06Å; Y431-Q437 HydrophobicContact CD2-CG 4.18Å; Y431-Q437 HydrophobicContact CE2-CB 4.35Å; Y431-L466 HydrophobicContact CD1-CD2 3.71Å; Y431-L466 HydrophobicContact CE1-CB 4.24Å; Y431-L466 HydrophobicContact CE1-CD2 3.74Å; Y431-L466 HydrophobicContact CE1-CG 4.46Å; Y431-L466 HydrophobicContact CG-CD2 4.25Å
432	G	94.9	Very high	97.5	Very high	51 Å²	51	68.4 Å²	68.4	53%	0.526	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	53.4	-126.4	179.4	0	0	0	0	0	112.3	S434	G432-S434 VanDerWaalsContact C-N 3.28Å; G432-S434 PolarHBondContact O-N 2.71Å
433	D	95.7	Very high	97.8	Very high	178 Å²	178	67.4 Å²	67.4	95%	0.952	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-75.8	-13.2	179.6	-59.5	-35.9	0	0	0	113.5	Y431 G435	Y431-D433 PolarHBondContact O-N 2.8Å; D433-G435 PolarHBondContact O-N 3.32Å
434	S	96.5	Very high	97.9	Very high	89 Å²	89	61.1 Å²	61.1	62%	0.622	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-75.9	1.9	174.9	-54.9	0	0	0	0	113.6	Y431 G432 Q437	Y431-S434 VanDerWaalsContact O-CB 3.31Å; Y431-S434 WeakPolarHBondContact O-CB 3.21Å; Y431-S434 PolarHBondContact O-N 3.29Å; G432-S434 VanDerWaalsContact C-N 3.28Å; G432-S434 PolarHBondContact O-N 2.71Å; S434-Q437 PolarHBondContact O-NE2 3.04Å
435	G	97.4	Very high	97.8	Very high	28 Å²	28	57.5 Å²	57.5	29%	0.289	31%	0.305	S	S	.	.			trans	72.5	-164.6	176.4	0	0	0	0	0	113.6	K430 Y431 D433	K430-G435 WeakPolarHBondContact CA-O 3.48Å; Y431-G435 PolarHBondContact N-O 3.37Å; D433-G435 PolarHBondContact O-N 3.32Å
436	E	98.1	Very high	97.5	Very high	122 Å²	122	54.9 Å²	54.9	57%	0.57	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	137	175.6	-65.5	-168	135.8	0	0	111.2	L428 K430	L428-E436 HydrophobicContact CB-CB 4.49Å; L428-E436 HydrophobicContact CD1-CB 4.45Å; K430-E436 HydrophobicContact CB-CG 4.23Å; K430-E436 HydrophobicContact CG-CG 4.47Å
437	Q	98.6	Very high	97.5	Very high	102 Å²	102	55.4 Å²	55.4	48%	0.477	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.8	176.8	-63.9	-63.9	-32.5	0	0	109.4	L428 V429 Y431 S434 A439	L428-Q437 WeakPolarHBondContact CA-O 3.36Å; V429-Q437 PolarHBondContact N-O 2.85Å; V429-Q437 PolarHBondContact O-N 3.29Å; Y431-Q437 HydrophobicContact CD2-CB 4.06Å; Y431-Q437 HydrophobicContact CD2-CG 4.18Å; Y431-Q437 HydrophobicContact CE2-CB 4.35Å; S434-Q437 PolarHBondContact O-NE2 3.04Å; Q437-A439 PolarHBondContact O-N 2.94Å; Q437-A439 VanDerWaalsContact O-N 3.09Å
438	I	98.8	Very high	97.5	Very high	74 Å²	74	55.5 Å²	55.5	38%	0.379	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	113.6	171.3	-63.4	174.8	0	0	0	108	P426 L428 G440 K454	P426-I438 HydrophobicContact CB-CD1 4.12Å; P426-I438 HydrophobicContact CB-CG1 4.07Å; P426-I438 HydrophobicContact CB-CG2 3.92Å; L428-I438 HydrophobicContact CD2-CB 4.44Å; L428-I438 HydrophobicContact CD2-CG1 3.81Å; I438-G440 WeakPolarHBondContact CG2-O 3.26Å; I438-K454 WeakPolarHBondContact O-CE 3.23Å
439	A	98.8	Very high	97.5	Very high	6 Å²	6	53 Å²	53	5%	0.05	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-16	176.7	0	0	0	0	0	112	W427 V429 Q437 I453 K454 A467	W427-A439 HydrophobicContact CD2-CB 3.84Å; W427-A439 HydrophobicContact CE3-CB 3.88Å; W427-A439 HydrophobicContact CH2-CB 3.52Å; W427-A439 HydrophobicContact CZ2-CB 3.41Å; W427-A439 VanDerWaalsContact CZ2-CB 3.41Å; W427-A439 HydrophobicContact CZ3-CB 3.75Å; W427-A439 PolarHBondContact O-N 3.46Å; V429-A439 HydrophobicContact CB-CB 3.99Å; V429-A439 HydrophobicContact CG2-CB 3.45Å; V429-A439 VanDerWaalsContact CG2-CB 3.45Å; Q437-A439 PolarHBondContact O-N 2.94Å; Q437-A439 VanDerWaalsContact O-N 3.09Å; A439-I453 CarbonylContact O-C 3.57Å; A439-I453 WeakPolarHBondContact O-CA 3.5Å; A439-K454 WeakPolarHBondContact O-CB 3.47Å; A439-K454 PolarHBondContact O-N 3.45Å; A439-A467 HydrophobicContact CB-CB 4.34Å
440	G	98.8	Very high	97.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.3	-152.4	171.3	0	0	0	0	0	110.9	P426 W427 I438 T452	P426-G440 VanDerWaalsContact CA-O 3.26Å; P426-G440 WeakPolarHBondContact CA-O 3.42Å; W427-G440 VanDerWaalsContact CD1-O 3.29Å; W427-G440 PolarHBondContact N-O 3.43Å; I438-G440 WeakPolarHBondContact CG2-O 3.26Å; G440-T452 WeakPolarHBondContact CA-O 3.44Å
441	F	98.9	Very high	97.5	Very high	76 Å²	76	46 Å²	46	33%	0.333	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.7	179.5	-67.3	-94.4	0	0	0	111.3	R424 R425 P426 L451 T452	R424-F441 HydrophobicContact CG-CB 4.47Å; R424-F441 VanDerWaalsContact NH1-CB 3.26Å; R425-F441 CarbonylContact O-C 3.05Å; R425-F441 VanDerWaalsContact O-CA 3.31Å; R425-F441 WeakPolarHBondContact O-CA 3.42Å; P426-F441 HydrophobicContact CB-CD1 4.39Å; P426-F441 HydrophobicContact CB-CE1 4.3Å; F441-L451 CarbonylContact O-C 3.53Å; F441-L451 VanDerWaalsContact O-CA 3.3Å; F441-L451 WeakPolarHBondContact O-CA 3.33Å; F441-T452 PolarHBondContact N-OG1 2.87Å; F441-T452 PolarHBondContact O-N 3.3Å
442	V	98.7	Very high	97.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.9	177.3	64.3	0	0	0	0	110.1	R424 R425 W427 E444 A449 F450 L451 Y481	R424-V442 CarbonylContact C-O 3.43Å; R424-V442 VanDerWaalsContact CA-O 3.27Å; R424-V442 WeakPolarHBondContact CA-O 3.43Å; R425-V442 HydrophobicContact CG-CG1 3.69Å; R425-V442 PolarHBondContact N-O 2.81Å; R425-V442 PolarHBondContact O-N 3.03Å; W427-V442 HydrophobicContact CB-CG1 4.21Å; V442-E444 HydrophobicContact CG2-CG 3.67Å; V442-A449 HydrophobicContact CG2-CB 4.42Å; V442-F450 CarbonylContact C-O 3.6Å; V442-F450 WeakPolarHBondContact CA-O 3.34Å; V442-L451 HydrophobicContact CB-CD1 4.01Å; V442-L451 HydrophobicContact CB-CG 4.28Å; V442-L451 HydrophobicContact CG2-CB 4.34Å; V442-L451 HydrophobicContact CG2-CD1 3.94Å; V442-L451 HydrophobicContact CG2-CG 4.42Å; V442-Y481 HydrophobicContact CG2-CD2 3.86Å; V442-Y481 HydrophobicContact CG2-CG 4.25Å
443	K	97.4	Very high	97.8	Very high	28 Å²	28	39.9 Å²	39.9	12%	0.122	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.5	171.5	-168.8	180	-173.4	179.8	0	108.2	D414 R424 F445 A449 F450	D414-K443 WeakPolarHBondContact OD1-CE 3.36Å; D414-K443 IonicContact OD1-NZ 3.61Å; D414-K443 PolarHBondContact OD1-NZ 2.77Å; D414-K443 IonicContact OD2-NZ 3.95Å; D414-K443 PolarHBondContact OD2-NZ 3.2Å; R424-K443 HydrophobicContact CB-CB 4.46Å; R424-K443 HydrophobicContact CB-CG 4.45Å; R424-K443 HydrophobicContact CG-CB 4.38Å; K443-F445 HydrophobicContact CD-CE2 3.78Å; K443-F445 HydrophobicContact CD-CZ 3.86Å; K443-F445 VanDerWaalsContact CE-CZ 3.45Å; K443-F445 HydrophobicContact CG-CE2 3.76Å; K443-F445 HydrophobicContact CG-CZ 4.14Å; K443-A449 WeakPolarHBondContact O-CA 3.4Å; K443-F450 PolarHBondContact N-O 3.28Å; K443-F450 PolarHBondContact O-N 2.86Å
444	E	97.3	Very high	98	Very high	26 Å²	26	36.4 Å²	36.4	12%	0.121	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.2	-171.2	-50.5	174.1	105.8	0	0	110.3	E421 V422 R425 V442 A449 Y481	E421-E444 PolarHBondContact N-O 3.44Å; V422-E444 HydrophobicContact CB-CB 3.88Å; V422-E444 HydrophobicContact CB-CG 4.28Å; V422-E444 WeakPolarHBondContact CB-OE2 3.44Å; V422-E444 HydrophobicContact CG2-CB 4.01Å; V422-E444 HydrophobicContact CG2-CG 4.47Å; V422-E444 WeakPolarHBondContact CG2-OE2 3.4Å; V422-E444 PolarHBondContact N-O 3.26Å; V422-E444 PolarHBondContact O-N 2.96Å; R425-E444 IonicContact CZ-OE2 3.92Å; R425-E444 IonicContact NE-OE2 2.83Å; R425-E444 PolarHBondContact NE-OE2 3.38Å; R425-E444 IonicContact NH2-OE1 2.79Å; R425-E444 IonicContact NH2-OE2 3.41Å; R425-E444 PolarHBondContact NH2-OE2 2.89Å; V442-E444 HydrophobicContact CG2-CG 3.67Å; E444-A449 HydrophobicContact CG-CB 4.25Å; E444-Y481 WeakPolarHBondContact OE1-CD2 3.48Å
445	F	96.9	Very high	98.1	Very high	14 Å²	14	33.6 Å²	33.6	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	168.7	170.2	-56.7	-97.9	0	0	0	108.4	V413 D414 Q418 K419 M420 K443 H447 I448	V413-F445 HydrophobicContact CG1-CD2 4.06Å; V413-F445 HydrophobicContact CG1-CE2 3.91Å; D414-F445 WeakPolarHBondContact OD1-CZ 3.49Å; Q418-F445 HydrophobicContact CB-CB 3.91Å; Q418-F445 HydrophobicContact CB-CD1 4.25Å; Q418-F445 HydrophobicContact CB-CG 4.33Å; Q418-F445 VanDerWaalsContact O-CD1 3.29Å; Q418-F445 WeakPolarHBondContact O-CD1 3.26Å; K419-F445 CarbonylContact O-C 3.59Å; K419-F445 VanDerWaalsContact O-CA 3.29Å; K419-F445 WeakPolarHBondContact O-CA 3.21Å; K419-F445 WeakPolarHBondContact O-CB 3.31Å; M420-F445 HydrophobicContact CB-CD1 3.97Å; M420-F445 HydrophobicContact CB-CE1 4.09Å; M420-F445 HydrophobicContact CE-CE1 4.11Å; M420-F445 HydrophobicContact CE-CZ 4.4Å; M420-F445 HydrophobicContact CG-CD1 4.46Å; M420-F445 HydrophobicContact CG-CE1 4.43Å; K443-F445 HydrophobicContact CD-CE2 3.78Å; K443-F445 HydrophobicContact CD-CZ 3.86Å; K443-F445 VanDerWaalsContact CE-CZ 3.45Å; K443-F445 HydrophobicContact CG-CE2 3.76Å; K443-F445 HydrophobicContact CG-CZ 4.14Å; F445-H447 PolarHBondContact O-N 2.91Å; F445-I448 CarbonylContact C-O 3.59Å; F445-I448 WeakPolarHBondContact CA-O 3.44Å; F445-I448 HydrophobicContact CB-CG2 3.82Å; F445-I448 WeakPolarHBondContact CB-O 3.25Å; F445-I448 PolarHBondContact N-O 2.93Å; F445-I448 PolarHBondContact O-N 3.3Å
446	S	92.5	Very high	98.1	Very high	15 Å²	15	32.3 Å²	32.3	11%	0.105	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	116.9	175.8	-153.3	0	0	0	0	110.7	K419 E421 I448	K419-S446 PolarHBondContact O-N 3.15Å; E421-S446 VanDerWaalsContact CD-CA 3.46Å; E421-S446 WeakPolarHBondContact OE1-CA 3.5Å; E421-S446 WeakPolarHBondContact OE1-CB 3.49Å; E421-S446 PolarHBondContact OE1-OG 3.37Å; S446-I448 PolarHBondContact O-N 3.32Å
447	H	96.9	Very high	98.2	Very high	66 Å²	66	26.5 Å²	26.5	31%	0.306	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	-0.1	178.8	-57.2	77.8	0	0	0	116.9	L386 Q389 I393 F445	L386-H447 HydrophobicContact CD2-CB 3.93Å; Q389-H447 PolarHBondContact O-CD2 2.58Å; Q389-H447 PolarHBondContact O-NE2 2.9Å; Q389-H447 PolarHBondContact OE1-CE1 3.19Å; Q389-H447 PolarHBondContact OE1-ND1 2.88Å; I393-H447 WeakPolarHBondContact CB-O 3.48Å; I393-H447 PolarHBondContact N-O 2.79Å; F445-H447 PolarHBondContact O-N 2.91Å
448	I	98.6	Very high	98.2	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.015	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.6	175.6	-173	167.1	0	0	0	112.2	Y382 L386 I393 L395 V413 L416 Q418 F445 S446	Y382-I448 HydrophobicContact CD1-CD1 4.18Å; L386-I448 HydrophobicContact CD1-CD1 4.43Å; L386-I448 HydrophobicContact CD1-CG2 4.34Å; L386-I448 HydrophobicContact CD2-CB 4.02Å; L386-I448 HydrophobicContact CD2-CG2 4.08Å; I393-I448 HydrophobicContact CB-CB 4.09Å; I393-I448 HydrophobicContact CB-CD1 4.39Å; I393-I448 HydrophobicContact CB-CG1 4.01Å; I393-I448 HydrophobicContact CG2-CB 4.44Å; I393-I448 HydrophobicContact CG2-CD1 3.83Å; I393-I448 HydrophobicContact CG2-CG1 3.83Å; I393-I448 VanDerWaalsContact O-CA 3.31Å; I393-I448 WeakPolarHBondContact O-CA 3.29Å; L395-I448 HydrophobicContact CD1-CD1 3.93Å; L395-I448 HydrophobicContact CD1-CG1 4.37Å; V413-I448 HydrophobicContact CG1-CD1 4.12Å; V413-I448 HydrophobicContact CG1-CG1 4.19Å; V413-I448 HydrophobicContact CG2-CD1 4.28Å; L416-I448 HydrophobicContact CD1-CD1 3.6Å; Q418-I448 HydrophobicContact CB-CG2 4.39Å; Q418-I448 HydrophobicContact CG-CG2 4.12Å; F445-I448 CarbonylContact C-O 3.59Å; F445-I448 WeakPolarHBondContact CA-O 3.44Å; F445-I448 HydrophobicContact CB-CG2 3.82Å; F445-I448 WeakPolarHBondContact CB-O 3.25Å; F445-I448 PolarHBondContact N-O 2.93Å; F445-I448 PolarHBondContact O-N 3.3Å; S446-I448 PolarHBondContact O-N 3.32Å
449	A	98.8	Very high	98.2	Very high	6 Å²	6	20 Å²	20	5%	0.05	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.8	172.1	0	0	0	0	0	110.9	I393 L394 L395 V442 K443 E444 Y481	I393-A449 PolarHBondContact O-N 2.87Å; L394-A449 HydrophobicContact CD1-CB 4.1Å; L395-A449 PolarHBondContact N-O 2.76Å; V442-A449 HydrophobicContact CG2-CB 4.42Å; K443-A449 WeakPolarHBondContact O-CA 3.4Å; E444-A449 HydrophobicContact CG-CB 4.25Å; A449-Y481 HydrophobicContact CB-CD2 4.28Å; A449-Y481 HydrophobicContact CB-CE2 3.71Å
450	F	98.9	Very high	98.2	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.3	164	172.3	-99.9	0	0	0	109.1	L395 N397 F406 D409 E410 V413 V442 K443 T452	L395-F450 HydrophobicContact CB-CD2 4.41Å; L395-F450 CarbonylContact O-C 3.48Å; L395-F450 WeakPolarHBondContact O-CA 3.41Å; N397-F450 HydrophobicContact CB-CE2 4.5Å; N397-F450 WeakPolarHBondContact OD1-CE2 3.24Å; F406-F450 HydrophobicContact CB-CZ 4.19Å; F406-F450 HydrophobicContact CD2-CZ 4.35Å; F406-F450 VanDerWaalsContact O-CZ 3.25Å; F406-F450 WeakPolarHBondContact O-CZ 3.36Å; D409-F450 HydrophobicContact CB-CD2 4.48Å; D409-F450 HydrophobicContact CB-CE2 3.99Å; E410-F450 HydrophobicContact CB-CD1 3.89Å; E410-F450 HydrophobicContact CB-CD2 4.36Å; E410-F450 HydrophobicContact CB-CE1 3.46Å; E410-F450 VanDerWaalsContact CB-CE1 3.46Å; E410-F450 HydrophobicContact CB-CE2 3.97Å; E410-F450 HydrophobicContact CB-CG 4.32Å; E410-F450 HydrophobicContact CB-CZ 3.51Å; E410-F450 VanDerWaalsContact CD-CE1 3.45Å; E410-F450 HydrophobicContact CG-CD1 3.64Å; E410-F450 HydrophobicContact CG-CE1 3.53Å; E410-F450 HydrophobicContact CG-CG 4.32Å; E410-F450 HydrophobicContact CG-CZ 4.14Å; E410-F450 WeakPolarHBondContact OE2-CE1 3.43Å; V413-F450 HydrophobicContact CB-CB 4.15Å; V413-F450 HydrophobicContact CG1-CB 4.1Å; V413-F450 HydrophobicContact CG2-CB 4.12Å; V413-F450 HydrophobicContact CG2-CD2 4.38Å; V442-F450 CarbonylContact C-O 3.6Å; V442-F450 WeakPolarHBondContact CA-O 3.34Å; K443-F450 PolarHBondContact N-O 3.28Å; K443-F450 PolarHBondContact O-N 2.86Å; F450-T452 HydrophobicContact CE1-CG2 3.63Å; F450-T452 HydrophobicContact CZ-CG2 3.76Å
451	L	98.8	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	130.9	-175.2	-170.2	144.9	0	0	0	111.8	L394 L395 Y396 N397 W427 F441 V442 I453 M471 Y481	L394-L451 HydrophobicContact CD1-CB 4Å; L395-L451 PolarHBondContact O-N 3.02Å; Y396-L451 CarbonylContact C-O 3.55Å; Y396-L451 WeakPolarHBondContact CA-O 3.31Å; N397-L451 PolarHBondContact N-O 3.04Å; W427-L451 HydrophobicContact CD2-CD1 4.15Å; W427-L451 HydrophobicContact CD2-CD2 4.45Å; W427-L451 HydrophobicContact CG-CD1 4.16Å; W427-L451 HydrophobicContact CZ2-CD2 3.66Å; F441-L451 CarbonylContact O-C 3.53Å; F441-L451 VanDerWaalsContact O-CA 3.3Å; F441-L451 WeakPolarHBondContact O-CA 3.33Å; V442-L451 HydrophobicContact CB-CD1 4.01Å; V442-L451 HydrophobicContact CB-CG 4.28Å; V442-L451 HydrophobicContact CG2-CB 4.34Å; V442-L451 HydrophobicContact CG2-CD1 3.94Å; V442-L451 HydrophobicContact CG2-CG 4.42Å; L451-I453 HydrophobicContact CD2-CD1 3.75Å; L451-I453 HydrophobicContact CD2-CG1 3.97Å; L451-M471 HydrophobicContact CD1-CG 4.37Å; L451-M471 HydrophobicContact CD2-CG 4.19Å; L451-M471 HydrophobicContact CD2-SD 3.85Å; L451-Y481 HydrophobicContact CD1-CD1 3.68Å; L451-Y481 HydrophobicContact CD1-CD2 4.3Å; L451-Y481 HydrophobicContact CD1-CE1 4.43Å; L451-Y481 HydrophobicContact CD1-CG 3.6Å
452	T	98.9	Very high	98.1	Very high	2 Å²	2	19 Å²	19	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147.8	169.3	71.9	0	0	0	0	111.2	N397 F406 W427 G440 F441 F450	N397-T452 CarbonylContact O-C 3.57Å; N397-T452 VanDerWaalsContact O-CA 3.26Å; N397-T452 WeakPolarHBondContact O-CA 3.27Å; F406-T452 HydrophobicContact CB-CG2 4.13Å; F406-T452 HydrophobicContact CD2-CG2 3.74Å; F406-T452 HydrophobicContact CG-CG2 4.16Å; W427-T452 PolarHBondContact NE1-O 3.37Å; G440-T452 WeakPolarHBondContact CA-O 3.44Å; F441-T452 PolarHBondContact N-OG1 2.87Å; F441-T452 PolarHBondContact O-N 3.3Å; F450-T452 HydrophobicContact CE1-CG2 3.63Å; F450-T452 HydrophobicContact CZ-CG2 3.76Å
453	I	98.9	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108	169.4	-57.6	85	0	0	0	108.2	Y396 N397 D399 W427 A439 L451 G455 A456 V460 K464 A467 M471	Y396-I453 HydrophobicContact CD2-CD1 3.68Å; Y396-I453 HydrophobicContact CG-CD1 4.19Å; N397-I453 PolarHBondContact O-N 3.15Å; D399-I453 PolarHBondContact N-O 3.36Å; W427-I453 HydrophobicContact CZ2-CG1 4.06Å; A439-I453 CarbonylContact O-C 3.57Å; A439-I453 WeakPolarHBondContact O-CA 3.5Å; L451-I453 HydrophobicContact CD2-CD1 3.75Å; L451-I453 HydrophobicContact CD2-CG1 3.97Å; I453-G455 PolarHBondContact O-N 2.98Å; I453-A456 HydrophobicContact CB-CB 3.97Å; I453-A456 HydrophobicContact CG2-CB 3.71Å; I453-A456 PolarHBondContact O-N 3.09Å; I453-V460 HydrophobicContact CB-CG1 4Å; I453-V460 HydrophobicContact CD1-CG1 3.83Å; I453-V460 HydrophobicContact CD1-CG2 4.18Å; I453-V460 HydrophobicContact CG1-CG1 3.7Å; I453-V460 HydrophobicContact CG2-CG1 4.08Å; I453-K464 HydrophobicContact CG2-CB 3.86Å; I453-K464 HydrophobicContact CG2-CG 3.84Å; I453-A467 HydrophobicContact CG2-CB 4.33Å; I453-M471 HydrophobicContact CD1-SD 4.2Å
454	K	98.9	Very high	98.2	Very high	106 Å²	106	23.7 Å²	23.7	46%	0.461	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	118.8	-170.8	-172.1	-179.2	59.4	58.2	0	112.1	D399 I438 A439 A456 K464	D399-K454 WeakPolarHBondContact OD1-CA 3.39Å; D399-K454 WeakPolarHBondContact OD2-CA 3.39Å; I438-K454 WeakPolarHBondContact O-CE 3.23Å; A439-K454 WeakPolarHBondContact O-CB 3.47Å; A439-K454 PolarHBondContact O-N 3.45Å; K454-A456 VanDerWaalsContact C-N 3.33Å; K454-K464 WeakPolarHBondContact O-CE 3.49Å
455	G	98.7	Very high	98.2	Very high	30 Å²	30	26.3 Å²	26.3	31%	0.309	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	16.6	-179.8	0	0	0	0	0	114	D399 I453 K464	D399-G455 PolarHBondContact OD1-N 3.43Å; I453-G455 PolarHBondContact O-N 2.98Å; G455-K464 WeakPolarHBondContact O-CE 3Å
456	A	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.			trans	-95.4	145.6	167.5	0	0	0	0	0	110.5	G398 D399 V400 I453 K454 V460 D463 K464	G398-A456 CarbonylContact C-O 3.53Å; G398-A456 WeakPolarHBondContact CA-O 3.4Å; D399-A456 PolarHBondContact N-O 2.86Å; D399-A456 VanDerWaalsContact N-O 3.12Å; V400-A456 VanDerWaalsContact CG2-C 3.47Å; V400-A456 WeakPolarHBondContact CG2-O 3.35Å; V400-A456 PolarHBondContact N-O 3.26Å; I453-A456 HydrophobicContact CB-CB 3.97Å; I453-A456 HydrophobicContact CG2-CB 3.71Å; I453-A456 PolarHBondContact O-N 3.09Å; K454-A456 VanDerWaalsContact C-N 3.33Å; A456-V460 HydrophobicContact CB-CB 4.43Å; A456-V460 HydrophobicContact CB-CG1 4.33Å; A456-V460 HydrophobicContact CB-CG2 4.07Å; A456-D463 HydrophobicContact CB-CB 4.11Å; A456-K464 HydrophobicContact CB-CB 4.38Å; A456-K464 HydrophobicContact CB-CG 3.7Å
457	G	98.8	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.			trans	-88.4	-148.2	170.2	0	0	0	0	0	112.4	Y276 G398 D463	Y276-G457 CarbonylContact O-C 3.52Å; Y276-G457 WeakPolarHBondContact O-CA 3.37Å; G398-G457 WeakPolarHBondContact CA-O 3.45Å; G457-D463 VanDerWaalsContact CA-OD2 3.3Å; G457-D463 WeakPolarHBondContact CA-OD2 3.03Å; G457-D463 PolarHBondContact N-OD2 3.46Å
458	H	98.8	Very high	98.6	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	14%	0.142	C	C	.	.	S	Bend	trans	-65.6	-50.1	-174.4	-159.6	65.6	0	0	0	111.6	E178 S179 N207 Y276 D401 V460	E178-H458 IonicContact OE1-CD2 2.85Å; E178-H458 VanDerWaalsContact OE2-O 3.05Å; S179-H458 WeakPolarHBondContact CB-NE2 3.38Å; S179-H458 PolarHBondContact OG-CE1 3Å; S179-H458 PolarHBondContact OG-NE2 3.42Å; N207-H458 PolarHBondContact OD1-O 3.41Å; Y276-H458 HydrophobicContact CD1-CB 3.53Å; Y276-H458 AromaticContact CD1-CD2 3.6Å; Y276-H458 AromaticContact CD1-CG 3.47Å; Y276-H458 VanDerWaalsContact CD1-CG 3.47Å; Y276-H458 HydrophobicContact CE1-CB 4.3Å; Y276-H458 AromaticContact CE1-CD2 3.43Å; Y276-H458 VanDerWaalsContact CE1-CD2 3.43Å; Y276-H458 WeakPolarHBondContact CE1-CD2 3.35Å; Y276-H458 AromaticContact CE1-CG 3.77Å; Y276-H458 AromaticContact CE1-NE2 3.71Å; Y276-H458 HydrophobicContact CG-CB 3.72Å; Y276-H458 AromaticContact CZ-CD2 3.94Å; Y276-H458 PolarHBondContact O-N 3.21Å; D401-H458 HydrophobicContact CB-CB 4.43Å; D401-H458 VanDerWaalsContact CG-ND1 3.26Å; D401-H458 IonicContact OD1-CG 3.36Å; D401-H458 IonicContact OD1-ND1 2.85Å; D401-H458 PolarHBondContact OD1-ND1 2.77Å; D401-H458 IonicContact OD2-CE1 3.09Å; D401-H458 IonicContact OD2-CG 2.71Å; D401-H458 IonicContact OD2-ND1 3.63Å; D401-H458 PolarHBondContact OD2-ND1 3.24Å; H458-V460 PolarHBondContact O-N 2.99Å; H458-V460 VanDerWaalsContact O-N 3.15Å
459	M	98.4	Very high	98.5	Very high	36 Å²	36	28.1 Å²	28.1	18%	0.177	15%	0.153	C	C	.	.	S	Bend	trans	-86	77.5	175.5	-64	174.2	-69.5	0	0	109.5	E115 E178 T333 P461 T462 D463	E115-M459 HydrophobicContact CG-CB 4.38Å; E115-M459 HydrophobicContact CG-CG 4.45Å; E115-M459 HydrophobicContact CG-SD 4.49Å; E178-M459 WeakPolarHBondContact OE1-CA 3.47Å; E178-M459 WeakPolarHBondContact OE1-CG 3.47Å; E178-M459 WeakPolarHBondContact OE2-CA 3.21Å; T333-M459 HydrophobicContact CG2-CE 4.35Å; M459-P461 VanDerWaalsContact C-N 3.33Å; M459-T462 WeakPolarHBondContact O-CB 3.46Å; M459-T462 PolarHBondContact O-N 3.37Å; M459-T462 VanDerWaalsContact O-N 3.13Å; M459-D463 PolarHBondContact O-N 3.46Å
460	V	98.8	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-52.3	-43.9	-176.8	169.9	0	0	0	0	113.3	N207 Y396 G398 I453 A456 H458 T462 D463 K464 A468	N207-V460 WeakPolarHBondContact OD1-CG2 3.3Å; Y396-V460 HydrophobicContact CD2-CB 4.4Å; Y396-V460 HydrophobicContact CD2-CG1 4.33Å; Y396-V460 HydrophobicContact CD2-CG2 4.27Å; Y396-V460 HydrophobicContact CE2-CB 4.07Å; Y396-V460 HydrophobicContact CE2-CG1 4.26Å; Y396-V460 HydrophobicContact CE2-CG2 4.28Å; G398-V460 VanDerWaalsContact N-CG2 3.33Å; I453-V460 HydrophobicContact CB-CG1 4Å; I453-V460 HydrophobicContact CD1-CG1 3.83Å; I453-V460 HydrophobicContact CD1-CG2 4.18Å; I453-V460 HydrophobicContact CG1-CG1 3.7Å; I453-V460 HydrophobicContact CG2-CG1 4.08Å; A456-V460 HydrophobicContact CB-CB 4.43Å; A456-V460 HydrophobicContact CB-CG1 4.33Å; A456-V460 HydrophobicContact CB-CG2 4.07Å; H458-V460 PolarHBondContact O-N 2.99Å; H458-V460 VanDerWaalsContact O-N 3.15Å; V460-T462 VanDerWaalsContact C-N 3.3Å; V460-T462 PolarHBondContact O-N 2.98Å; V460-D463 PolarHBondContact O-N 2.92Å; V460-K464 PolarHBondContact O-N 2.83Å; V460-A468 HydrophobicContact CG1-CB 4.17Å
461	P	98.3	Very high	98.5	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-31.5	-178.5	-14.5	28.1	0	0	0	113.1	E115 H116 M459 P465 A468	E115-P461 HydrophobicContact CB-CB 4Å; E115-P461 HydrophobicContact CB-CG 4.19Å; H116-P461 HydrophobicContact CB-CB 3.77Å; H116-P461 HydrophobicContact CB-CG 4.4Å; M459-P461 VanDerWaalsContact C-N 3.33Å; P461-P465 WeakPolarHBondContact O-CA 3.43Å; P461-P465 WeakPolarHBondContact O-CB 3.33Å; P461-P465 WeakPolarHBondContact O-CD 3.01Å; P461-A468 HydrophobicContact CB-CB 4.07Å; P461-A468 HydrophobicContact CG-CB 4.4Å
462	T	98.1	Very high	98.5	Very high	56 Å²	56	30.1 Å²	30.1	34%	0.344	16%	0.164	S	C	.	.	H	α-helix	trans	-65.5	-47.1	174	-53.9	0	0	0	0	111.4	T114 E115 M459 V460	T114-T462 PolarHBondContact O-OG1 3.19Å; E115-T462 WeakPolarHBondContact CA-OG1 3.38Å; M459-T462 WeakPolarHBondContact O-CB 3.46Å; M459-T462 PolarHBondContact O-N 3.37Å; M459-T462 VanDerWaalsContact O-N 3.13Å; V460-T462 VanDerWaalsContact C-N 3.3Å; V460-T462 PolarHBondContact O-N 2.98Å
463	D	98.4	Very high	98.4	Very high	57 Å²	57	31.4 Å²	31.4	31%	0.305	17%	0.172	S	C	.	.	H	α-helix	trans	-80.7	-33.1	-173.1	-73.6	-21	0	0	0	113.4	N277 A456 G457 M459 V460	N277-D463 PolarHBondContact ND2-OD2 3Å; A456-D463 HydrophobicContact CB-CB 4.11Å; G457-D463 VanDerWaalsContact CA-OD2 3.3Å; G457-D463 WeakPolarHBondContact CA-OD2 3.03Å; G457-D463 PolarHBondContact N-OD2 3.46Å; M459-D463 PolarHBondContact O-N 3.46Å; V460-D463 PolarHBondContact O-N 2.92Å
464	K	98.5	Very high	98.4	Very high	70 Å²	70	33.9 Å²	33.9	30%	0.304	18%	0.182	S	C	.	.			trans	-137.6	64.2	-176.1	-60.4	-65.3	174.3	-152.4	0	112	I453 K454 G455 A456 V460 L466 A467 A468	I453-K464 HydrophobicContact CG2-CB 3.86Å; I453-K464 HydrophobicContact CG2-CG 3.84Å; K454-K464 WeakPolarHBondContact O-CE 3.49Å; G455-K464 WeakPolarHBondContact O-CE 3Å; A456-K464 HydrophobicContact CB-CB 4.38Å; A456-K464 HydrophobicContact CB-CG 3.7Å; V460-K464 PolarHBondContact O-N 2.83Å; K464-L466 PolarHBondContact O-N 2.04Å; K464-A467 HydrophobicContact CB-CB 4.03Å; K464-A467 PolarHBondContact O-N 2.02Å; K464-A467 VanDerWaalsContact O-N 3.11Å; K464-A468 WeakPolarHBondContact O-CB 3.41Å; K464-A468 PolarHBondContact O-N 3.12Å
465	P	97.4	Very high	98.4	Very high	82 Å²	82	28.8 Å²	28.8	53%	0.532	16%	0.16	S	C	.	.	H	α-helix	trans	-58.2	-43.4	-171.1	20	-33.1	0	0	0	113.9	P461 A467 F469	P461-P465 WeakPolarHBondContact O-CA 3.43Å; P461-P465 WeakPolarHBondContact O-CB 3.33Å; P461-P465 WeakPolarHBondContact O-CD 3.01Å; P465-A467 PolarHBondContact O-N 2.95Å; P465-F469 VanDerWaalsContact O-CB 3.3Å; P465-F469 WeakPolarHBondContact O-CB 3.28Å; P465-F469 PolarHBondContact O-N 3.2Å
466	L	97.8	Very high	98.3	Very high	73 Å²	73	27.8 Å²	27.8	38%	0.382	15%	0.147	S	C	.	.	H	α-helix	trans	-66.6	-39.4	179.3	-179	61.1	0	0	0	112.5	V429 Y431 K464 T470	V429-L466 HydrophobicContact CG1-CD2 3.99Å; V429-L466 HydrophobicContact CG1-CG 3.9Å; Y431-L466 HydrophobicContact CD1-CD2 3.71Å; Y431-L466 HydrophobicContact CE1-CB 4.24Å; Y431-L466 HydrophobicContact CE1-CD2 3.74Å; Y431-L466 HydrophobicContact CE1-CG 4.46Å; Y431-L466 HydrophobicContact CG-CD2 4.25Å; K464-L466 PolarHBondContact O-N 2.04Å; L466-T470 WeakPolarHBondContact O-CB 3.49Å; L466-T470 PolarHBondContact O-N 3.14Å; L466-T470 PolarHBondContact O-OG1 2.69Å
467	A	98.5	Very high	98.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-70.7	-43.9	178.7	0	0	0	0	0	110.8	W427 V429 A439 I453 K464 P465 F469 T470 M471	W427-A467 HydrophobicContact CH2-CB 3.89Å; V429-A467 HydrophobicContact CG2-CB 4.2Å; A439-A467 HydrophobicContact CB-CB 4.34Å; I453-A467 HydrophobicContact CG2-CB 4.33Å; K464-A467 HydrophobicContact CB-CB 4.03Å; K464-A467 PolarHBondContact O-N 2.02Å; K464-A467 VanDerWaalsContact O-N 3.11Å; P465-A467 PolarHBondContact O-N 2.95Å; A467-F469 PolarHBondContact O-N 3.45Å; A467-T470 PolarHBondContact O-N 2.9Å; A467-M471 WeakPolarHBondContact O-CB 3.04Å; A467-M471 PolarHBondContact O-N 3.19Å
468	A	98.4	Very high	98.2	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-58	-47.5	174.4	0	0	0	0	0	111.4	V460 P461 K464 T470 M471 F472	V460-A468 HydrophobicContact CG1-CB 4.17Å; P461-A468 HydrophobicContact CB-CB 4.07Å; P461-A468 HydrophobicContact CG-CB 4.4Å; K464-A468 WeakPolarHBondContact O-CB 3.41Å; K464-A468 PolarHBondContact O-N 3.12Å; A468-T470 PolarHBondContact O-N 2.98Å; A468-M471 PolarHBondContact O-N 3.46Å; A468-F472 VanDerWaalsContact O-CB 3.24Å; A468-F472 WeakPolarHBondContact O-CB 3.38Å; A468-F472 PolarHBondContact O-N 3.25Å
469	F	98.1	Very high	98.1	Very high	58 Å²	58	42 Å²	42	25%	0.254	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-42.8	176	177.3	-97.5	0	0	0	112.4	F119 L120 I121 P465 A467 F472 S473	F119-F469 HydrophobicContact CD1-CD2 4.08Å; F119-F469 HydrophobicContact CE1-CD2 4.26Å; L120-F469 HydrophobicContact CB-CE2 4.39Å; I121-F469 HydrophobicContact CB-CE2 4.5Å; I121-F469 HydrophobicContact CD1-CE2 3.92Å; I121-F469 HydrophobicContact CD1-CZ 4.27Å; I121-F469 HydrophobicContact CG1-CE2 4.06Å; I121-F469 HydrophobicContact CG2-CE2 3.73Å; I121-F469 HydrophobicContact CG2-CZ 3.59Å; P465-F469 VanDerWaalsContact O-CB 3.3Å; P465-F469 WeakPolarHBondContact O-CB 3.28Å; P465-F469 PolarHBondContact O-N 3.2Å; A467-F469 PolarHBondContact O-N 3.45Å; F469-F472 PolarHBondContact O-N 2.89Å; F469-S473 VanDerWaalsContact O-CB 3.26Å; F469-S473 WeakPolarHBondContact O-CB 3.32Å; F469-S473 PolarHBondContact O-N 2.83Å
470	T	98.2	Very high	98	Very high	27 Å²	27	45 Å²	45	17%	0.166	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-45.5	179.4	-61	0	0	0	0	111.2	V429 L466 A467 A468 S473 R474	V429-T470 HydrophobicContact CG2-CG2 4.04Å; L466-T470 WeakPolarHBondContact O-CB 3.49Å; L466-T470 PolarHBondContact O-N 3.14Å; L466-T470 PolarHBondContact O-OG1 2.69Å; A467-T470 PolarHBondContact O-N 2.9Å; A468-T470 PolarHBondContact O-N 2.98Å; T470-S473 PolarHBondContact O-N 3.26Å; T470-R474 WeakPolarHBondContact O-CG 3.48Å; T470-R474 PolarHBondContact O-N 3.24Å
471	M	98.6	Very high	97.9	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-49.5	173.5	176	-158.5	74.3	0	0	110.9	L394 Y396 W427 L451 I453 A467 A468 S473 R474 F475 Y481	L394-M471 HydrophobicContact CD2-CE 4.28Å; L394-M471 HydrophobicContact CD2-CG 3.95Å; L394-M471 HydrophobicContact CD2-SD 3.98Å; Y396-M471 VanDerWaalsContact CB-SD 3.56Å; Y396-M471 HydrophobicContact CD1-CE 3.67Å; Y396-M471 HydrophobicContact CD1-SD 3.98Å; Y396-M471 HydrophobicContact CD2-CE 3.76Å; Y396-M471 HydrophobicContact CD2-SD 3.87Å; Y396-M471 HydrophobicContact CE1-CE 3.8Å; Y396-M471 HydrophobicContact CE2-CE 3.86Å; Y396-M471 HydrophobicContact CG-CE 3.65Å; Y396-M471 HydrophobicContact CG-SD 3.52Å; Y396-M471 VanDerWaalsContact CG-SD 3.52Å; W427-M471 HydrophobicContact CH2-CB 4.02Å; W427-M471 HydrophobicContact CZ3-CB 4.23Å; L451-M471 HydrophobicContact CD1-CG 4.37Å; L451-M471 HydrophobicContact CD2-CG 4.19Å; L451-M471 HydrophobicContact CD2-SD 3.85Å; I453-M471 HydrophobicContact CD1-SD 4.2Å; A467-M471 WeakPolarHBondContact O-CB 3.04Å; A467-M471 PolarHBondContact O-N 3.19Å; A468-M471 PolarHBondContact O-N 3.46Å; M471-S473 PolarHBondContact O-N 3.17Å; M471-R474 PolarHBondContact O-N 3.04Å; M471-F475 WeakPolarHBondContact O-CB 3.48Å; M471-F475 PolarHBondContact O-N 3.06Å; M471-Y481 HydrophobicContact CG-CD1 4.36Å; M471-Y481 HydrophobicContact CG-CE1 4.3Å
472	F	98.2	Very high	97.9	Very high	18 Å²	18	47.9 Å²	47.9	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-42.5	-179.7	-176.3	-114.4	0	0	0	112.1	V97 I121 T176 A468 F469 F475 L476	V97-F472 HydrophobicContact CB-CZ 4.31Å; V97-F472 HydrophobicContact CG1-CE2 4.19Å; V97-F472 HydrophobicContact CG1-CZ 3.98Å; V97-F472 HydrophobicContact CG2-CE2 4.45Å; V97-F472 HydrophobicContact CG2-CZ 3.83Å; I121-F472 HydrophobicContact CD1-CD1 3.8Å; I121-F472 HydrophobicContact CD1-CE1 4.18Å; I121-F472 HydrophobicContact CG1-CD1 4.16Å; I121-F472 HydrophobicContact CG1-CE1 4.11Å; T176-F472 HydrophobicContact CG2-CE2 4.42Å; A468-F472 VanDerWaalsContact O-CB 3.24Å; A468-F472 WeakPolarHBondContact O-CB 3.38Å; A468-F472 PolarHBondContact O-N 3.25Å; F469-F472 PolarHBondContact O-N 2.89Å; F472-F475 HydrophobicContact CD2-CD1 4.42Å; F472-F475 WeakPolarHBondContact O-CB 3.45Å; F472-F475 PolarHBondContact O-N 3.09Å; F472-L476 HydrophobicContact CD1-CD1 4.06Å; F472-L476 HydrophobicContact CD2-CG 4.48Å; F472-L476 HydrophobicContact CE1-CD1 3.48Å; F472-L476 VanDerWaalsContact CE1-CD1 3.48Å; F472-L476 HydrophobicContact CE1-CG 4.2Å; F472-L476 HydrophobicContact CE2-CD1 4.24Å; F472-L476 HydrophobicContact CE2-CD2 4.2Å; F472-L476 HydrophobicContact CE2-CG 4.15Å; F472-L476 HydrophobicContact CZ-CD1 3.59Å; F472-L476 HydrophobicContact CZ-CD2 4.19Å; F472-L476 HydrophobicContact CZ-CG 4.02Å; F472-L476 WeakPolarHBondContact O-CG 3.27Å; F472-L476 PolarHBondContact O-N 2.82Å
473	S	98.1	Very high	97.9	Very high	28 Å²	28	47.4 Å²	47.4	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-46.3	174.4	-177.8	0	0	0	0	111.9	F469 T470 M471 F475 L476 N477	F469-S473 VanDerWaalsContact O-CB 3.26Å; F469-S473 WeakPolarHBondContact O-CB 3.32Å; F469-S473 PolarHBondContact O-N 2.83Å; T470-S473 PolarHBondContact O-N 3.26Å; M471-S473 PolarHBondContact O-N 3.17Å; S473-F475 VanDerWaalsContact C-N 3.34Å; S473-F475 PolarHBondContact O-N 2.87Å; S473-L476 PolarHBondContact O-N 3.37Å; S473-N477 WeakPolarHBondContact O-CB 3.14Å; S473-N477 PolarHBondContact O-N 3.04Å; S473-N477 PolarHBondContact O-ND2 3.02Å; S473-N477 PolarHBondContact OG-ND2 2.84Å
474	R	98.4	Very high	97.9	Very high	52 Å²	52	46.9 Å²	46.9	20%	0.196	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-41.8	176.4	-72.3	174.3	175.8	157.4	3.4	111.5	L428 T470 M471 N477 K478 Q479 P480 Y481	L428-R474 PolarHBondContact O-NH1 3.34Å; L428-R474 PolarHBondContact O-NH2 3.43Å; T470-R474 WeakPolarHBondContact O-CG 3.48Å; T470-R474 PolarHBondContact O-N 3.24Å; M471-R474 PolarHBondContact O-N 3.04Å; R474-N477 CarbonylContact O-C 3.55Å; R474-N477 PolarHBondContact O-N 3.16Å; R474-K478 PolarHBondContact O-N 2.98Å; R474-Q479 HydrophobicContact CB-CB 4.12Å; R474-Q479 HydrophobicContact CG-CB 4.15Å; R474-Q479 PolarHBondContact O-N 3.16Å; R474-P480 WeakPolarHBondContact CD-O 3.42Å; R474-Y481 HydrophobicContact CB-CD1 4.2Å; R474-Y481 HydrophobicContact CB-CE1 4.41Å; R474-Y481 PolarHBondContact NH1-OXT 2.73Å
475	F	98.6	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.3	-56.1	174.9	169.6	-104.4	0	0	0	111.8	F174 T176 A204 Q392 L394 M471 F472 S473 N477 K478 Y481	F174-F475 HydrophobicContact CB-CE1 4.38Å; F174-F475 HydrophobicContact CD1-CD1 4.4Å; F174-F475 AromaticContact CD1-CE1 3.37Å; F174-F475 HydrophobicContact CD1-CE1 3.37Å; F174-F475 AromaticContact CD1-CZ 3.49Å; F174-F475 HydrophobicContact CD1-CZ 3.49Å; F174-F475 VanDerWaalsContact CD1-CZ 3.49Å; F174-F475 AromaticContact CE1-CE1 3.84Å; F174-F475 HydrophobicContact CE1-CE1 3.84Å; F174-F475 AromaticContact CE1-CZ 3.88Å; F174-F475 HydrophobicContact CE1-CZ 3.88Å; F174-F475 HydrophobicContact CG-CE1 4.09Å; T176-F475 HydrophobicContact CG2-CE1 4.49Å; A204-F475 HydrophobicContact CB-CD1 4.33Å; A204-F475 HydrophobicContact CB-CE1 3.92Å; A204-F475 HydrophobicContact CB-CE2 4.18Å; A204-F475 HydrophobicContact CB-CZ 3.84Å; Q392-F475 HydrophobicContact CB-CE2 4.38Å; Q392-F475 HydrophobicContact CG-CD2 4.14Å; Q392-F475 HydrophobicContact CG-CE2 3.95Å; Q392-F475 PolarHBondContact NE2-O 3.44Å; L394-F475 HydrophobicContact CB-CD2 3.78Å; L394-F475 HydrophobicContact CB-CE2 3.9Å; L394-F475 HydrophobicContact CD2-CB 4.18Å; L394-F475 HydrophobicContact CD2-CD2 4.11Å; L394-F475 HydrophobicContact CD2-CG 4.27Å; M471-F475 WeakPolarHBondContact O-CB 3.48Å; M471-F475 PolarHBondContact O-N 3.06Å; F472-F475 HydrophobicContact CD2-CD1 4.42Å; F472-F475 WeakPolarHBondContact O-CB 3.45Å; F472-F475 PolarHBondContact O-N 3.09Å; S473-F475 VanDerWaalsContact C-N 3.34Å; S473-F475 PolarHBondContact O-N 2.87Å; F475-N477 VanDerWaalsContact C-N 3.26Å; F475-N477 PolarHBondContact O-N 3.33Å; F475-K478 PolarHBondContact O-N 3.4Å; F475-K478 VanDerWaalsContact O-N 3.12Å; F475-Y481 HydrophobicContact CB-CE1 4.17Å; F475-Y481 WeakPolarHBondContact CD2-OH 3.36Å
476	L	97.8	Very high	97.8	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-61.2	-35.1	-178.9	-68.4	-174.9	0	0	0	113.1	V97 I121 A122 F174 F472 S473 K478	V97-L476 HydrophobicContact CG2-CD1 4.47Å; V97-L476 HydrophobicContact CG2-CD2 4.01Å; I121-L476 HydrophobicContact CD1-CD1 4.15Å; I121-L476 HydrophobicContact CG1-CD1 4.25Å; A122-L476 HydrophobicContact CB-CD1 4Å; F174-L476 HydrophobicContact CB-CD2 4.33Å; F174-L476 HydrophobicContact CD1-CD2 4.11Å; F174-L476 HydrophobicContact CD2-CD2 3.49Å; F174-L476 VanDerWaalsContact CD2-CD2 3.49Å; F174-L476 HydrophobicContact CE1-CD2 4.24Å; F174-L476 HydrophobicContact CE2-CD2 3.65Å; F174-L476 HydrophobicContact CG-CD2 3.72Å; F174-L476 HydrophobicContact CZ-CD2 4.02Å; F472-L476 HydrophobicContact CD1-CD1 4.06Å; F472-L476 HydrophobicContact CD2-CG 4.48Å; F472-L476 HydrophobicContact CE1-CD1 3.48Å; F472-L476 VanDerWaalsContact CE1-CD1 3.48Å; F472-L476 HydrophobicContact CE1-CG 4.2Å; F472-L476 HydrophobicContact CE2-CD1 4.24Å; F472-L476 HydrophobicContact CE2-CD2 4.2Å; F472-L476 HydrophobicContact CE2-CG 4.15Å; F472-L476 HydrophobicContact CZ-CD1 3.59Å; F472-L476 HydrophobicContact CZ-CD2 4.19Å; F472-L476 HydrophobicContact CZ-CG 4.02Å; F472-L476 WeakPolarHBondContact O-CG 3.27Å; F472-L476 PolarHBondContact O-N 2.82Å; S473-L476 PolarHBondContact O-N 3.37Å; L476-K478 VanDerWaalsContact C-N 3.33Å
477	N	97.5	Very high	97.8	Very high	95 Å²	95	41.3 Å²	41.3	51%	0.508	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	2.3	-179.2	-68.9	-62.6	0	0	0	114	S473 R474 F475 Q479	S473-N477 WeakPolarHBondContact O-CB 3.14Å; S473-N477 PolarHBondContact O-N 3.04Å; S473-N477 PolarHBondContact O-ND2 3.02Å; S473-N477 PolarHBondContact OG-ND2 2.84Å; R474-N477 CarbonylContact O-C 3.55Å; R474-N477 PolarHBondContact O-N 3.16Å; F475-N477 VanDerWaalsContact C-N 3.26Å; F475-N477 PolarHBondContact O-N 3.33Å; N477-Q479 HydrophobicContact CB-CG 3.87Å; N477-Q479 PolarHBondContact O-N 3.04Å
478	K	97.2	Very high	97.8	Very high	105 Å²	105	44.1 Å²	44.1	46%	0.457	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	37	-175	-41	-152.8	173.2	-170.5	0	112.9	R474 F475 L476	R474-K478 PolarHBondContact O-N 2.98Å; F475-K478 PolarHBondContact O-N 3.4Å; F475-K478 VanDerWaalsContact O-N 3.12Å; L476-K478 VanDerWaalsContact C-N 3.33Å
479	Q	97.6	Very high	97.8	Very high	101 Å²	101	47.3 Å²	47.3	47%	0.472	24%	0.24	S	C	.	.			trans	-91.1	149.3	177.1	-66.5	176.2	-8.9	0	0	110.4	R474 N477	R474-Q479 HydrophobicContact CB-CB 4.12Å; R474-Q479 HydrophobicContact CG-CB 4.15Å; R474-Q479 PolarHBondContact O-N 3.16Å; N477-Q479 HydrophobicContact CB-CG 3.87Å; N477-Q479 PolarHBondContact O-N 3.04Å
480	P	96.2	Very high	97.7	Very high	100 Å²	100	46.4 Å²	46.4	65%	0.649	24%	0.238	S	C	*	.			trans	-57.3	141.5	170.5	-22.6	33.3	0	0	0	111.6	R474	R474-P480 WeakPolarHBondContact CD-O 3.42Å
481	Y	96.4	Very high	97.7	Very high	17 Å²	17	48.2 Å²	48.2	7%	0.067	25%	0.245	C	C	.	.			trans	-72.3	0	179.8	-60	-76.8	0	0	0	113.7	L394 R425 W427 V442 E444 A449 L451 M471 R474 F475	L394-Y481 HydrophobicContact CD1-CE1 4.32Å; L394-Y481 HydrophobicContact CD1-CE2 4.34Å; L394-Y481 HydrophobicContact CD2-CE1 4.07Å; R425-Y481 VanDerWaalsContact CZ-O 3.31Å; R425-Y481 PolarHBondContact NH1-O 2.95Å; R425-Y481 PolarHBondContact NH2-O 2.97Å; W427-Y481 WeakPolarHBondContact CB-OXT 3.4Å; V442-Y481 HydrophobicContact CG2-CD2 3.86Å; V442-Y481 HydrophobicContact CG2-CG 4.25Å; E444-Y481 WeakPolarHBondContact OE1-CD2 3.48Å; A449-Y481 HydrophobicContact CB-CD2 4.28Å; A449-Y481 HydrophobicContact CB-CE2 3.71Å; L451-Y481 HydrophobicContact CD1-CD1 3.68Å; L451-Y481 HydrophobicContact CD1-CD2 4.3Å; L451-Y481 HydrophobicContact CD1-CE1 4.43Å; L451-Y481 HydrophobicContact CD1-CG 3.6Å; M471-Y481 HydrophobicContact CG-CD1 4.36Å; M471-Y481 HydrophobicContact CG-CE1 4.3Å; R474-Y481 HydrophobicContact CB-CD1 4.2Å; R474-Y481 HydrophobicContact CB-CE1 4.41Å; R474-Y481 PolarHBondContact NH1-OXT 2.73Å; F475-Y481 HydrophobicContact CB-CE1 4.17Å; F475-Y481 WeakPolarHBondContact CD2-OH 3.36Å

Retrieved 481 of 481 residues in 161.2 ms (Link to these results)

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