A0A087YQ26_POEFO Loading...

Alpha-aminoadipic semialdehyde dehydrogenase

Multifunctional enzyme mediating important protective effects. Metabolizes betaine aldehyde to betaine, an important cellular osmolyte and methyl donor. Protects cells from oxidative stress by metabolizing a number of lipid peroxidation-derived aldehydes. Involved in lysine catabolism.

AlphaFold DB , UniProt , Accession A0A087YQ26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 542 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	29.3	Very low	245 Å²	245	160.1 Å²	160.1	100%	1.207	80%	0.801	S	S	*	*				0	96.8	0	-108.3	-174.3	-122.8	0	0	109
2	Q	29.2	Very low	29.2	Very low	167 Å²	167	159.8 Å²	159.8	78%	0.78	80%	0.795	S	S	*	*			trans	168.4	103.6	149.8	-105.9	-168.8	11	0	0	108.6
3	R	28	Very low	29.2	Very low	232 Å²	232	156.8 Å²	156.8	88%	0.875	80%	0.799	S	S	*	*				160.6	127.2	108	-91.3	164.7	-170.7	-139.4	2.5	110.5
4	C	28.5	Very low	29.2	Very low	102 Å²	102	163 Å²	163	69%	0.689	81%	0.808	S	S	*	*			trans	-115	146.9	174.3	-126	0	0	0	0	106.5
5	F	31.7	Very low	29	Very low	182 Å²	182	162.6 Å²	162.6	80%	0.798	81%	0.809	S	S	*	*			trans	66.2	141.4	146.5	-79.9	-65.6	0	0	0	117.9
6	T	30.1	Very low	28.9	Very low	100 Å²	100	161.8 Å²	161.8	61%	0.613	81%	0.807	S	S	*	*			cis	-171.3	162.6	-3.3	-22.2	0	0	0	0	105.6
7	L	27.4	Very low	28.9	Very low	162 Å²	162	162.4 Å²	162.4	85%	0.848	81%	0.813	S	S	*	*			trans	174.9	98.5	131.9	-93.7	147.2	0	0	0	108.5
8	T	27.8	Very low	28.9	Very low	105 Å²	105	165.9 Å²	165.9	64%	0.644	82%	0.815	S	S	*	*				66.8	110.9	93	-39.1	0	0	0	0	114
9	L	27.5	Very low	28.8	Very low	172 Å²	172	164.6 Å²	164.6	90%	0.901	81%	0.812	S	S	*	*				-171.4	119	127.1	-108.6	131.4	0	0	0	111.8
10	A	29.1	Very low	28.8	Very low	78 Å²	78	166.4 Å²	166.4	65%	0.645	82%	0.815	S	S	*	*			trans	-70.2	169.3	162.8	0	0	0	0	0	109
11	R	28.1	Very low	28.8	Very low	216 Å²	216	169 Å²	169	82%	0.815	82%	0.822	S	S	*	*			cis	-178.3	161	16	-138.1	172.1	-173.9	-159.7	5.8	105.6
12	H	28.2	Very low	28.5	Very low	156 Å²	156	161.7 Å²	161.7	72%	0.722	80%	0.801	S	S	*	*			trans	82.8	110.1	160.8	-69.1	52.3	0	0	0	118.9
13	S	28.6	Very low	28.5	Very low	122 Å²	122	159.1 Å²	159.1	85%	0.853	80%	0.801	S	S	*	*				-171.5	126.6	93.8	-73.5	0	0	0	0	111.2
14	R	28.6	Very low	28.6	Very low	243 Å²	243	154.3 Å²	154.3	92%	0.917	80%	0.797	S	S	*	*			trans	-90	132.4	170.2	-73.4	175.8	176.3	-170	-1.8	108.4
15	L	26.6	Very low	28.6	Very low	157 Å²	157	159.9 Å²	159.9	82%	0.822	80%	0.804	S	S	*	*				179.3	153.4	127.2	-131.1	73.9	0	0	0	110.9
16	L	28.1	Very low	28.4	Very low	149 Å²	149	156.1 Å²	156.1	78%	0.78	80%	0.799	S	S	*	*			trans	84.9	93.1	166.3	-56.6	157.2	0	0	0	116.7
17	L	28.5	Very low	28.4	Very low	173 Å²	173	159.2 Å²	159.2	91%	0.906	81%	0.806	S	S	*	*				173.2	116.7	100.6	-98.3	132	0	0	0	110.1
18	R	29.5	Very low	28.7	Very low	226 Å²	226	159.9 Å²	159.9	85%	0.853	81%	0.805	S	S	*	*			trans	-87.8	152.4	170.3	-104.9	178.6	171.4	176.7	-4	109.2
19	N	27.2	Very low	28.9	Very low	141 Å²	141	160.1 Å²	160.1	75%	0.754	81%	0.811	S	S	*	*			trans	84.1	101.4	155	-61.1	-10.2	0	0	0	118.4
20	K	28.3	Very low	29.4	Very low	200 Å²	200	156 Å²	156	87%	0.87	80%	0.802	S	S	*	*				168.4	92.9	101.5	-88.8	-178.3	-178.1	-178.1	0	109.1
21	F	27.9	Very low	29.9	Very low	220 Å²	220	156.6 Å²	156.6	97%	0.965	81%	0.806	S	S	*	*			trans	-120.1	89.4	157.8	-90	-82.6	0	0	0	106.9
22	A	28.8	Very low	30.7	Very low	93 Å²	93	155.1 Å²	155.1	77%	0.769	81%	0.811	S	S	*	*			trans	-85.2	113.1	163.6	0	0	0	0	0	106.8	V24	A22-V24 PolarHBondContact O-N 3.3Å; A22-V24 VanDerWaalsContact O-N 3.14Å
23	S	29.8	Very low	32.2	Very low	112 Å²	112	150.6 Å²	150.6	78%	0.783	80%	0.797	S	S	*	*			trans	-65	103.9	170.6	45.7	0	0	0	0	109.4	R25	S23-R25 VanDerWaalsContact C-N 3.29Å; S23-R25 PolarHBondContact O-N 3.26Å
24	V	30.4	Very low	35.1	Very low	132 Å²	132	148 Å²	148	80%	0.8	78%	0.779	S	S	*	*			trans	-76.1	91.8	161.4	-179.9	0	0	0	0	106.4	A22 C26	A22-V24 PolarHBondContact O-N 3.3Å; A22-V24 VanDerWaalsContact O-N 3.14Å; V24-C26 PolarHBondContact O-N 3.38Å
25	R	28.7	Very low	38.4	Very low	218 Å²	218	137.1 Å²	137.1	82%	0.823	74%	0.739	S	S	*	*			trans	-63.3	93.8	156.6	-86.1	-179.9	172.6	-178.3	-2.6	106.4	S23 H27	S23-R25 VanDerWaalsContact C-N 3.29Å; S23-R25 PolarHBondContact O-N 3.26Å; R25-H27 PolarHBondContact O-N 2.95Å
26	C	27.5	Very low	41.8	Very low	104 Å²	104	129.7 Å²	129.7	70%	0.703	70%	0.7	S	S	*	*			trans	-67.7	103.5	164.5	-161.2	0	0	0	0	106.3	V24 Q28	V24-C26 PolarHBondContact O-N 3.38Å; C26-Q28 PolarHBondContact O-N 2.78Å
27	H	29.5	Very low	45.2	Very low	165 Å²	165	122.7 Å²	122.7	76%	0.764	66%	0.663	S	S	*	*			trans	-63.2	93.2	160.4	-80.4	-3.4	0	0	0	107.2	R25 S29	R25-H27 PolarHBondContact O-N 2.95Å; H27-S29 PolarHBondContact O-N 3.34Å
28	Q	33.6	Very low	48.5	Very low	176 Å²	176	118.3 Å²	118.3	82%	0.822	64%	0.641	S	S	*	*			trans	-67.6	86.4	153.6	-81.3	179.7	-19.7	0	0	106.9	C26 A30	C26-Q28 PolarHBondContact O-N 2.78Å; Q28-A30 PolarHBondContact O-N 2.81Å
29	S	32.7	Very low	51.7	Low	110 Å²	110	109.3 Å²	109.3	77%	0.769	61%	0.609	S	S	*	*			trans	-69.2	85.7	147.4	60.4	0	0	0	0	106	H27 A31	H27-S29 PolarHBondContact O-N 3.34Å; S29-A31 PolarHBondContact O-N 3.38Å
30	A	38.1	Very low	55	Low	86 Å²	86	107.9 Å²	107.9	71%	0.711	61%	0.607	S	S	*	*			trans	-63.6	89.1	160.1	0	0	0	0	0	105.9	Q28 M32	Q28-A30 PolarHBondContact O-N 2.81Å; A30-M32 PolarHBondContact O-N 3.47Å
31	A	39.3	Very low	58.3	Low	89 Å²	89	103.2 Å²	103.2	74%	0.736	59%	0.588	S	S	*	*			trans	-53.9	112.5	158.8	0	0	0	0	0	104.6	S29 S33	S29-A31 PolarHBondContact O-N 3.38Å; A31-S33 VanDerWaalsContact C-N 3.28Å; A31-S33 PolarHBondContact O-N 2.85Å
32	M	45.4	Very low	61.6	Low	186 Å²	186	93.9 Å²	93.9	92%	0.916	55%	0.547	S	S	*	.			trans	-55.4	102.4	170.1	-79	-165.7	-87.4	0	0	105.8	A30 S34	A30-M32 PolarHBondContact O-N 3.47Å; M32-S34 PolarHBondContact O-N 3.3Å
33	S	58.5	Low	64.9	Low	61 Å²	61	92.6 Å²	92.6	43%	0.427	53%	0.532	S	S	.	.			trans	-57.5	111.2	175.8	171.1	0	0	0	0	105.8	A31 L35	A31-S33 VanDerWaalsContact C-N 3.28Å; A31-S33 PolarHBondContact O-N 2.85Å; S33-L35 PolarHBondContact O-N 2.89Å
34	S	90.1	Very high	68.1	Low	67 Å²	67	88.6 Å²	88.6	47%	0.469	50%	0.5	S	S	.	.			trans	-62.7	130.3	177.8	54.6	0	0	0	0	108.2	M32 L36 Q39	M32-S34 PolarHBondContact O-N 3.3Å; S34-L36 PolarHBondContact O-N 2.77Å; S34-Q39 PolarHBondContact O-NE2 3.47Å; S34-Q39 VanDerWaalsContact O-NE2 3.11Å
35	L	97.9	Very high	71.4	Confident	15 Å²	15	82.4 Å²	82.4	8%	0.079	46%	0.462	C	S	.	.			trans	-45.9	136.2	176.1	-68.4	-179.7	0	0	0	111.5	S33 I37 N38 E52 T70 P79	S33-L35 PolarHBondContact O-N 2.89Å; L35-I37 HydrophobicContact CB-CG2 4.12Å; L35-I37 PolarHBondContact O-N 2.71Å; L35-I37 VanDerWaalsContact O-N 3.14Å; L35-N38 WeakPolarHBondContact O-CB 3.33Å; L35-N38 PolarHBondContact O-N 3.2Å; L35-E52 HydrophobicContact CD1-CG 3.22Å; L35-T70 HydrophobicContact CD2-CG2 4.47Å; L35-P79 CarbonylContact C-O 3.54Å; L35-P79 WeakPolarHBondContact CA-O 3.36Å; L35-P79 HydrophobicContact CD2-CB 3.52Å; L35-P79 HydrophobicContact CD2-CG 3.78Å
36	L	98.3	Very high	74.7	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-54.1	-38.9	-177	-62.6	-171.7	0	0	0	111.4	S34 N38 Q39 Y42 C73 E78 P79 I80 L137	S34-L36 PolarHBondContact O-N 2.77Å; L36-N38 PolarHBondContact O-N 2.96Å; L36-Q39 WeakPolarHBondContact O-CB 3.4Å; L36-Q39 PolarHBondContact O-N 3.16Å; L36-Y42 HydrophobicContact CB-CD2 3.76Å; L36-Y42 HydrophobicContact CB-CE2 4.02Å; L36-Y42 HydrophobicContact CB-CG 4.16Å; L36-Y42 HydrophobicContact CD1-CE2 4.23Å; L36-Y42 HydrophobicContact CD2-CD2 4.29Å; L36-Y42 HydrophobicContact CD2-CE2 3.77Å; L36-Y42 HydrophobicContact CG-CD2 4.47Å; L36-Y42 HydrophobicContact CG-CE2 4.23Å; L36-Y42 WeakPolarHBondContact O-CB 3.49Å; L36-Y42 WeakPolarHBondContact O-CD2 3.32Å; L36-C73 HydrophobicContact CD1-CB 3.87Å; L36-E78 HydrophobicContact CD1-CB 4.35Å; L36-E78 HydrophobicContact CD2-CB 3.75Å; L36-E78 HydrophobicContact CD2-CG 4.48Å; L36-E78 WeakPolarHBondContact CD2-OE2 3.29Å; L36-E78 HydrophobicContact CG-CB 4.1Å; L36-P79 PolarHBondContact N-O 3.49Å; L36-I80 HydrophobicContact CD1-CG1 4.09Å; L36-I80 PolarHBondContact N-O 3.01Å; L36-L137 HydrophobicContact CD1-CD1 4.04Å
37	I	98.4	Very high	78.1	Confident	3 Å²	3	78.3 Å²	78.3	2%	0.015	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-58.9	-21.8	179.8	-161.6	165.5	0	0	0	114.7	L35 L45 L50 S51 I80 A81	L35-I37 HydrophobicContact CB-CG2 4.12Å; L35-I37 PolarHBondContact O-N 2.71Å; L35-I37 VanDerWaalsContact O-N 3.14Å; I37-L45 HydrophobicContact CB-CD1 3.93Å; I37-L45 HydrophobicContact CD1-CB 4.04Å; I37-L45 HydrophobicContact CD1-CD1 4.34Å; I37-L45 HydrophobicContact CG1-CB 3.95Å; I37-L45 HydrophobicContact CG1-CD1 3.87Å; I37-L50 HydrophobicContact CD1-CB 3.92Å; I37-S51 WeakPolarHBondContact CD1-O 3.27Å; I37-I80 WeakPolarHBondContact CB-O 3.5Å; I37-I80 WeakPolarHBondContact CG2-O 3.42Å; I37-I80 PolarHBondContact N-O 2.85Å; I37-I80 VanDerWaalsContact N-O 3.13Å; I37-A81 HydrophobicContact CB-CB 4.32Å; I37-A81 HydrophobicContact CD1-CB 4.22Å; I37-A81 HydrophobicContact CG2-CB 4Å
38	N	97.9	Very high	81.4	Confident	81 Å²	81	70.9 Å²	70.9	43%	0.433	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-89.3	-9.4	177.8	-70.7	-22.4	0	0	0	112.9	L35 L36 E52	L35-N38 WeakPolarHBondContact O-CB 3.33Å; L35-N38 PolarHBondContact O-N 3.2Å; L36-N38 PolarHBondContact O-N 2.96Å; N38-E52 PolarHBondContact ND2-OE2 2.75Å
39	Q	97.6	Very high	84.5	Confident	37 Å²	37	64.3 Å²	64.3	17%	0.173	39%	0.385	C	S	.	.	S	Bend	trans	-87.1	136.3	178.7	-46.3	-179.3	16.8	0	0	110	S34 L36 Q41 Y42	S34-Q39 PolarHBondContact O-NE2 3.47Å; S34-Q39 VanDerWaalsContact O-NE2 3.11Å; L36-Q39 WeakPolarHBondContact O-CB 3.4Å; L36-Q39 PolarHBondContact O-N 3.16Å; Q39-Q41 VanDerWaalsContact C-N 3.25Å; Q39-Q41 VanDerWaalsContact CB-OE1 3.22Å; Q39-Q41 PolarHBondContact O-N 3.37Å; Q39-Q41 VanDerWaalsContact O-N 3.1Å; Q39-Y42 HydrophobicContact CB-CD2 4.17Å; Q39-Y42 PolarHBondContact O-N 2.82Å
40	P	97.3	Very high	87.6	Confident	111 Å²	111	59.3 Å²	59.3	72%	0.721	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-54	-35.6	-172.3	-29.4	35.7	0	0	0	115.3	Y42 S43	P40-Y42 PolarHBondContact O-N 3Å; P40-S43 VanDerWaalsContact O-CB 3.29Å; P40-S43 WeakPolarHBondContact O-CB 3.3Å; P40-S43 PolarHBondContact O-N 3.49Å; P40-S43 PolarHBondContact O-OG 3Å
41	Q	96.8	Very high	90.5	Very high	101 Å²	101	58 Å²	58	47%	0.472	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-68.9	-15.9	-179.6	73.6	-81.4	21.4	0	0	114.1	Q39 W44	Q39-Q41 VanDerWaalsContact C-N 3.25Å; Q39-Q41 VanDerWaalsContact CB-OE1 3.22Å; Q39-Q41 PolarHBondContact O-N 3.37Å; Q39-Q41 VanDerWaalsContact O-N 3.1Å; Q41-W44 PolarHBondContact O-NE1 2.77Å
42	Y	97.8	Very high	93.3	Very high	25 Å²	25	57.2 Å²	57.2	10%	0.098	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-109.1	14.6	174.7	-57.5	-75.9	0	0	0	113.2	L36 Q39 P40 W44 L45 L137 W366	L36-Y42 HydrophobicContact CB-CD2 3.76Å; L36-Y42 HydrophobicContact CB-CE2 4.02Å; L36-Y42 HydrophobicContact CB-CG 4.16Å; L36-Y42 HydrophobicContact CD1-CE2 4.23Å; L36-Y42 HydrophobicContact CD2-CD2 4.29Å; L36-Y42 HydrophobicContact CD2-CE2 3.77Å; L36-Y42 HydrophobicContact CG-CD2 4.47Å; L36-Y42 HydrophobicContact CG-CE2 4.23Å; L36-Y42 WeakPolarHBondContact O-CB 3.49Å; L36-Y42 WeakPolarHBondContact O-CD2 3.32Å; Q39-Y42 HydrophobicContact CB-CD2 4.17Å; Q39-Y42 PolarHBondContact O-N 2.82Å; P40-Y42 PolarHBondContact O-N 3Å; Y42-W44 HydrophobicContact CD1-CZ2 4.3Å; Y42-W44 AromaticContact CD1-NE1 3.93Å; Y42-W44 PolarHBondContact O-N 3.34Å; Y42-W44 VanDerWaalsContact O-N 3.1Å; Y42-L45 WeakPolarHBondContact O-CB 3.47Å; Y42-L45 WeakPolarHBondContact O-CG 3.38Å; Y42-L45 PolarHBondContact O-N 3.14Å; Y42-L45 VanDerWaalsContact O-N 3.07Å; Y42-L137 HydrophobicContact CD1-CD1 4.43Å; Y42-L137 HydrophobicContact CD1-CD2 4.19Å; Y42-L137 HydrophobicContact CE1-CD1 3.88Å; Y42-L137 HydrophobicContact CE1-CD2 4.45Å; Y42-W366 HydrophobicContact CD1-CZ3 4.28Å; Y42-W366 HydrophobicContact CE1-CE3 4.47Å; Y42-W366 HydrophobicContact CE1-CZ3 4.09Å
43	S	97.4	Very high	95.8	Very high	65 Å²	65	51.9 Å²	51.9	46%	0.455	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-59.2	-23	179.2	55.1	0	0	0	0	114	P40 L45 K46	P40-S43 VanDerWaalsContact O-CB 3.29Å; P40-S43 WeakPolarHBondContact O-CB 3.3Å; P40-S43 PolarHBondContact O-N 3.49Å; P40-S43 PolarHBondContact O-OG 3Å; S43-L45 PolarHBondContact O-N 3.27Å; S43-K46 WeakPolarHBondContact O-CB 3.45Å; S43-K46 PolarHBondContact O-N 2.79Å; S43-K46 VanDerWaalsContact O-N 3.09Å
44	W	98.2	Very high	97.8	Very high	29 Å²	29	49.2 Å²	49.2	11%	0.11	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-58.6	-23.3	173.9	61	-97.9	0	0	0	113.6	Q41 Y42 K46 E47 T130 S133 L134 L137 W366	Q41-W44 PolarHBondContact O-NE1 2.77Å; Y42-W44 HydrophobicContact CD1-CZ2 4.3Å; Y42-W44 AromaticContact CD1-NE1 3.93Å; Y42-W44 PolarHBondContact O-N 3.34Å; Y42-W44 VanDerWaalsContact O-N 3.1Å; W44-K46 PolarHBondContact O-N 3.33Å; W44-K46 VanDerWaalsContact O-N 3.17Å; W44-E47 VanDerWaalsContact O-CB 3.28Å; W44-E47 WeakPolarHBondContact O-CB 3.3Å; W44-E47 PolarHBondContact O-N 3.28Å; W44-T130 HydrophobicContact CE3-CG2 3.63Å; W44-T130 HydrophobicContact CZ3-CG2 4.23Å; W44-T130 WeakPolarHBondContact CZ3-O 3.3Å; W44-T130 WeakPolarHBondContact O-CG2 3.47Å; W44-S133 VanDerWaalsContact CH2-C 3.47Å; W44-L134 HydrophobicContact CH2-CB 4.38Å; W44-L134 HydrophobicContact CZ3-CB 4.14Å; W44-L137 HydrophobicContact CH2-CB 4.43Å; W44-L137 HydrophobicContact CH2-CD2 4.13Å; W44-L137 HydrophobicContact CZ2-CD2 4.05Å; W44-W366 AromaticContact CD1-CH2 3.7Å; W44-W366 AromaticContact CE2-CH2 3.75Å; W44-W366 HydrophobicContact CZ2-CH2 4.2Å; W44-W366 HydrophobicContact CZ2-CZ2 4.34Å; W44-W366 HydrophobicContact CZ2-CZ3 4.42Å; W44-W366 AromaticContact NE1-CH2 3.03Å; W44-W366 AromaticContact NE1-CZ2 3.7Å; W44-W366 AromaticContact NE1-CZ3 3.64Å
45	L	98.6	Very high	98.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-57.1	-30.5	173.9	-72.6	168.7	0	0	0	112.2	I37 Y42 S43 E47 L48 L50 I80 L134 L137	I37-L45 HydrophobicContact CB-CD1 3.93Å; I37-L45 HydrophobicContact CD1-CB 4.04Å; I37-L45 HydrophobicContact CD1-CD1 4.34Å; I37-L45 HydrophobicContact CG1-CB 3.95Å; I37-L45 HydrophobicContact CG1-CD1 3.87Å; Y42-L45 WeakPolarHBondContact O-CB 3.47Å; Y42-L45 WeakPolarHBondContact O-CG 3.38Å; Y42-L45 PolarHBondContact O-N 3.14Å; Y42-L45 VanDerWaalsContact O-N 3.07Å; S43-L45 PolarHBondContact O-N 3.27Å; L45-E47 PolarHBondContact O-N 2.65Å; L45-L48 WeakPolarHBondContact O-CB 3.33Å; L45-L48 PolarHBondContact O-N 3.07Å; L45-L48 VanDerWaalsContact O-N 3.15Å; L45-L50 HydrophobicContact CD2-CD1 4.2Å; L45-I80 HydrophobicContact CD1-CG2 4.01Å; L45-L134 HydrophobicContact CD2-CD1 3.73Å; L45-L137 HydrophobicContact CD1-CD2 4.16Å; L45-L137 HydrophobicContact CD2-CD2 4.18Å
46	K	98.3	Very high	98.2	Very high	128 Å²	128	48.9 Å²	48.9	56%	0.557	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-67.9	-22.5	178.4	-61.1	179.2	-178.2	178.6	0	112.5	S43 W44 L48 G49	S43-K46 WeakPolarHBondContact O-CB 3.45Å; S43-K46 PolarHBondContact O-N 2.79Å; S43-K46 VanDerWaalsContact O-N 3.09Å; W44-K46 PolarHBondContact O-N 3.33Å; W44-K46 VanDerWaalsContact O-N 3.17Å; K46-L48 PolarHBondContact O-N 2.81Å; K46-G49 WeakPolarHBondContact O-CA 3.37Å; K46-G49 PolarHBondContact O-N 2.97Å
47	E	98.1	Very high	98.2	Very high	108 Å²	108	49 Å²	49	51%	0.505	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-68.1	-19	174.6	-60.5	174.6	-163.6	0	0	112.9	W44 L45 G49 K127 T130	W44-E47 VanDerWaalsContact O-CB 3.28Å; W44-E47 WeakPolarHBondContact O-CB 3.3Å; W44-E47 PolarHBondContact O-N 3.28Å; L45-E47 PolarHBondContact O-N 2.65Å; E47-G49 VanDerWaalsContact C-N 3.28Å; E47-K127 PolarHBondContact O-NZ 3.36Å; E47-T130 HydrophobicContact CB-CG2 4.16Å; E47-T130 PolarHBondContact OE2-OG1 3.44Å
48	L	98.6	Very high	98.3	Very high	10 Å²	10	49 Å²	49	5%	0.052	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-89.5	5.9	170.6	-61.8	173.3	0	0	0	112.2	L45 K46 L50 K127 T130 L131 L134 A232 K235	L45-L48 WeakPolarHBondContact O-CB 3.33Å; L45-L48 PolarHBondContact O-N 3.07Å; L45-L48 VanDerWaalsContact O-N 3.15Å; K46-L48 PolarHBondContact O-N 2.81Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 HydrophobicContact CB-CD1 4.42Å; L48-L50 HydrophobicContact CB-CG 4.25Å; L48-L50 PolarHBondContact O-N 3.23Å; L48-K127 HydrophobicContact CD2-CB 4.34Å; L48-T130 HydrophobicContact CD1-CG2 4.02Å; L48-T130 HydrophobicContact CD2-CG2 4.04Å; L48-T130 HydrophobicContact CG-CG2 3.7Å; L48-L131 HydrophobicContact CD2-CB 4.22Å; L48-L134 HydrophobicContact CD1-CB 3.75Å; L48-L134 HydrophobicContact CD1-CD2 3.61Å; L48-L134 HydrophobicContact CD1-CG 4.3Å; L48-A232 HydrophobicContact CB-CB 4.11Å; L48-A232 HydrophobicContact CD1-CB 4.24Å; L48-K235 VanDerWaalsContact O-CD 3.31Å; L48-K235 WeakPolarHBondContact O-CD 3.33Å
49	G	98.4	Very high	98.3	Very high	37 Å²	37	45.8 Å²	45.8	38%	0.381	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	23.2	-177.7	0	0	0	0	0	113.8	K46 E47 K235	K46-G49 WeakPolarHBondContact O-CA 3.37Å; K46-G49 PolarHBondContact O-N 2.97Å; E47-G49 VanDerWaalsContact C-N 3.28Å; G49-K235 WeakPolarHBondContact O-CE 3.42Å; G49-K235 PolarHBondContact O-NZ 3.41Å
50	L	98.8	Very high	98.3	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	26%	0.259	C	S	.	.			trans	-85.1	148	174.5	-62.3	175.4	0	0	0	111.5	I37 L45 L48 N54 L134 L228 V231	I37-L50 HydrophobicContact CD1-CB 3.92Å; L45-L50 HydrophobicContact CD2-CD1 4.2Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 HydrophobicContact CB-CD1 4.42Å; L48-L50 HydrophobicContact CB-CG 4.25Å; L48-L50 PolarHBondContact O-N 3.23Å; L50-N54 WeakPolarHBondContact CA-OD1 3.35Å; L50-L134 HydrophobicContact CD1-CD1 4.3Å; L50-L134 HydrophobicContact CD1-CD2 3.87Å; L50-L228 HydrophobicContact CD1-CB 4.18Å; L50-L228 HydrophobicContact CD2-CD2 4.35Å; L50-V231 HydrophobicContact CD2-CB 4.25Å; L50-V231 HydrophobicContact CD2-CG1 3.81Å
51	S	98.5	Very high	98.4	Very high	58 Å²	58	43.3 Å²	43.3	41%	0.406	24%	0.244	S	C	.	.			trans	-131.7	-179.7	176.5	45.3	0	0	0	0	111.2	I37 D53 N54	I37-S51 WeakPolarHBondContact CD1-O 3.27Å; S51-D53 VanDerWaalsContact C-N 3.32Å; S51-D53 PolarHBondContact O-N 3.22Å; S51-D53 PolarHBondContact OG-O 3.39Å; S51-N54 PolarHBondContact N-OD1 3.21Å; S51-N54 PolarHBondContact O-ND2 3.47Å
52	E	98.4	Very high	98.5	Very high	73 Å²	73	42 Å²	42	34%	0.341	24%	0.235	S	C	.	.	S	Bend	trans	-56	-48.3	178.4	-162.5	-179.6	135.6	0	0	112	L35 N38 R82	L35-E52 HydrophobicContact CD1-CG 3.22Å; N38-E52 PolarHBondContact ND2-OE2 2.75Å; E52-R82 PolarHBondContact O-N 2.81Å; E52-R82 IonicContact OE1-CZ 3.61Å; E52-R82 VanDerWaalsContact OE1-CZ 3.27Å; E52-R82 IonicContact OE1-NH1 2.83Å; E52-R82 PolarHBondContact OE1-NH1 3.01Å; E52-R82 IonicContact OE1-NH2 3.54Å; E52-R82 PolarHBondContact OE1-NH2 3.33Å
53	D	98.6	Very high	98.5	Very high	74 Å²	74	41.8 Å²	41.8	40%	0.396	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.6	169.8	-62.4	-76.6	0	0	0	109.3	S51 R82	S51-D53 VanDerWaalsContact C-N 3.32Å; S51-D53 PolarHBondContact O-N 3.22Å; S51-D53 PolarHBondContact OG-O 3.39Å; D53-R82 IonicContact OD1-CZ 3.27Å; D53-R82 VanDerWaalsContact OD1-CZ 3.26Å; D53-R82 IonicContact OD1-NE 2.9Å; D53-R82 PolarHBondContact OD1-NE 3.38Å; D53-R82 IonicContact OD1-NH2 2.7Å; D53-R82 PolarHBondContact OD1-NH2 3.27Å; D53-R82 IonicContact OD2-CZ 3.26Å; D53-R82 IonicContact OD2-NE 2.69Å; D53-R82 IonicContact OD2-NH2 3.05Å; D53-R82 PolarHBondContact OD2-NH2 3.06Å
54	N	98.9	Very high	98.5	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.6	179.9	-56.1	-91.2	0	0	0	110.1	L50 S51 R82 V83 T84 L228 V231	L50-N54 WeakPolarHBondContact CA-OD1 3.35Å; S51-N54 PolarHBondContact N-OD1 3.21Å; S51-N54 PolarHBondContact O-ND2 3.47Å; N54-R82 PolarHBondContact N-O 2.94Å; N54-R82 PolarHBondContact ND2-O 3.42Å; N54-V83 HydrophobicContact CB-CG2 4.22Å; N54-V83 CarbonylContact O-C 3.58Å; N54-V83 VanDerWaalsContact O-CA 3.29Å; N54-V83 WeakPolarHBondContact O-CA 3.45Å; N54-T84 PolarHBondContact O-N 3.23Å; N54-L228 WeakPolarHBondContact ND2-CD2 3.45Å; N54-V231 HydrophobicContact CB-CG1 4.35Å
55	L	98.8	Very high	98.5	Very high	75 Å²	75	42 Å²	42	39%	0.393	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.4	174.8	-70.1	-180	0	0	0	109.3	W62 G63	L55-W62 HydrophobicContact CB-CB 4.13Å; L55-W62 HydrophobicContact CB-CE3 4.12Å; L55-W62 HydrophobicContact CD1-CB 3.76Å; L55-W62 VanDerWaalsContact O-CE3 3.25Å; L55-W62 WeakPolarHBondContact O-CZ3 3.35Å; L55-G63 CarbonylContact C-O 3.45Å; L55-G63 WeakPolarHBondContact CA-O 3.39Å; L55-G63 WeakPolarHBondContact CB-O 3.48Å
56	G	98.8	Very high	98.5	Very high	0 Å²	0	43 Å²	43	0%	0	26%	0.259	C	S	.	.			trans	-94.9	4.5	-175.8	0	0	0	0	0	114.8	G63 T84 C255	G56-G63 PolarHBondContact N-O 2.91Å; G56-T84 WeakPolarHBondContact CA-O 3.24Å; G56-T84 PolarHBondContact N-O 3.36Å; G56-C255 WeakPolarHBondContact O-CB 3.49Å; G56-C255 PolarHBondContact O-N 3.29Å
57	V	98.9	Very high	98.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.6	174.5	-176.7	0	0	0	0	109.7	W62 G63 A86 E90 L253 T254	V57-W62 CarbonylContact O-C 3.57Å; V57-W62 VanDerWaalsContact O-CA 3.32Å; V57-W62 WeakPolarHBondContact O-CA 3.26Å; V57-G63 WeakPolarHBondContact CB-O 3.4Å; V57-G63 PolarHBondContact N-O 3.1Å; V57-G63 PolarHBondContact O-N 3.36Å; V57-A86 HydrophobicContact CG2-CB 3.53Å; V57-E90 HydrophobicContact CG2-CB 4.25Å; V57-L253 CarbonylContact C-O 3.5Å; V57-L253 VanDerWaalsContact CA-O 3.3Å; V57-L253 WeakPolarHBondContact CA-O 3.41Å; V57-T254 HydrophobicContact CG1-CG2 4.35Å
58	Y	98.9	Very high	98.5	Very high	1 Å²	1	42 Å²	42	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127.9	168.8	-179.9	-102.9	0	0	0	110	W62 T234 A238 E242 G248 C251 S252 L253	Y58-W62 AromaticContact CD2-CD1 3.7Å; Y58-W62 AromaticContact CD2-CD2 3.81Å; Y58-W62 HydrophobicContact CD2-CD2 3.81Å; Y58-W62 AromaticContact CD2-CE2 3.49Å; Y58-W62 VanDerWaalsContact CD2-CE2 3.49Å; Y58-W62 AromaticContact CD2-CG 3.93Å; Y58-W62 HydrophobicContact CD2-CG 3.93Å; Y58-W62 AromaticContact CD2-CZ2 3.99Å; Y58-W62 HydrophobicContact CD2-CZ2 3.99Å; Y58-W62 AromaticContact CD2-NE1 3.41Å; Y58-W62 AromaticContact CE2-CD1 3.99Å; Y58-W62 AromaticContact CE2-NE1 3.63Å; Y58-W62 HydrophobicContact CG-CD2 4.41Å; Y58-W62 HydrophobicContact CG-CZ2 4.21Å; Y58-T234 HydrophobicContact CD1-CG2 3.75Å; Y58-T234 HydrophobicContact CG-CG2 3.92Å; Y58-A238 HydrophobicContact CD1-CB 4.43Å; Y58-A238 HydrophobicContact CE1-CB 3.67Å; Y58-A238 HydrophobicContact CE2-CB 3.88Å; Y58-A238 VanDerWaalsContact OH-CB 3.28Å; Y58-A238 WeakPolarHBondContact OH-CB 3.5Å; Y58-E242 PolarHBondContact OH-OE1 3.15Å; Y58-G248 WeakPolarHBondContact CE1-O 3.28Å; Y58-G248 WeakPolarHBondContact OH-CA 3.33Å; Y58-C251 WeakPolarHBondContact CD1-O 3.18Å; Y58-S252 CarbonylContact O-C 3.53Å; Y58-S252 WeakPolarHBondContact O-CA 3.31Å; Y58-S252 WeakPolarHBondContact O-CB 3.22Å; Y58-L253 PolarHBondContact N-O 2.87Å; Y58-L253 PolarHBondContact O-N 3.27Å
59	N	98.6	Very high	98.5	Very high	15 Å²	15	42.6 Å²	42.6	8%	0.08	27%	0.265	C	S	.	.	S	Bend	trans	-145.1	38.9	177.1	56.4	36.7	0	0	0	111.3	S61 T94 K97	N59-S61 VanDerWaalsContact C-N 3.3Å; N59-S61 PolarHBondContact N-O 3.23Å; N59-S61 PolarHBondContact OD1-OG 3.32Å; N59-S61 VanDerWaalsContact OD1-OG 3.11Å; N59-T94 HydrophobicContact CB-CG2 3.84Å; N59-T94 PolarHBondContact ND2-OG1 3.27Å; N59-K97 HydrophobicContact CB-CB 4.46Å; N59-K97 HydrophobicContact CB-CD 3.96Å; N59-K97 WeakPolarHBondContact OD1-CD 3.3Å; N59-K97 PolarHBondContact OD1-NZ 2.66Å
60	G	98.3	Very high	98.5	Very high	38 Å²	38	43.1 Å²	43.1	39%	0.392	26%	0.261	S	S	.	.	S	Bend	trans	90.4	-11.6	-165.1	0	0	0	0	0	113.9
61	S	98.6	Very high	98.5	Very high	58 Å²	58	43 Å²	43	41%	0.406	26%	0.261	S	S	.	.	S	Bend	trans	-139.9	144	168	52.3	0	0	0	0	108.6	N59 K97	N59-S61 VanDerWaalsContact C-N 3.3Å; N59-S61 PolarHBondContact N-O 3.23Å; N59-S61 PolarHBondContact OD1-OG 3.32Å; N59-S61 VanDerWaalsContact OD1-OG 3.11Å; S61-K97 PolarHBondContact OG-NZ 3.2Å
62	W	98.8	Very high	98.5	Very high	73 Å²	73	46.2 Å²	46.2	28%	0.277	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.6	175.5	-71.4	91.5	0	0	0	111.4	L55 V57 Y58 V231 T234 K235 L253	L55-W62 HydrophobicContact CB-CB 4.13Å; L55-W62 HydrophobicContact CB-CE3 4.12Å; L55-W62 HydrophobicContact CD1-CB 3.76Å; L55-W62 VanDerWaalsContact O-CE3 3.25Å; L55-W62 WeakPolarHBondContact O-CZ3 3.35Å; V57-W62 CarbonylContact O-C 3.57Å; V57-W62 VanDerWaalsContact O-CA 3.32Å; V57-W62 WeakPolarHBondContact O-CA 3.26Å; Y58-W62 AromaticContact CD2-CD1 3.7Å; Y58-W62 AromaticContact CD2-CD2 3.81Å; Y58-W62 HydrophobicContact CD2-CD2 3.81Å; Y58-W62 AromaticContact CD2-CE2 3.49Å; Y58-W62 VanDerWaalsContact CD2-CE2 3.49Å; Y58-W62 AromaticContact CD2-CG 3.93Å; Y58-W62 HydrophobicContact CD2-CG 3.93Å; Y58-W62 AromaticContact CD2-CZ2 3.99Å; Y58-W62 HydrophobicContact CD2-CZ2 3.99Å; Y58-W62 AromaticContact CD2-NE1 3.41Å; Y58-W62 AromaticContact CE2-CD1 3.99Å; Y58-W62 AromaticContact CE2-NE1 3.63Å; Y58-W62 HydrophobicContact CG-CD2 4.41Å; Y58-W62 HydrophobicContact CG-CZ2 4.21Å; W62-V231 HydrophobicContact CH2-CG1 3.99Å; W62-V231 HydrophobicContact CZ3-CG1 3.95Å; W62-V231 HydrophobicContact CZ3-CG2 4.4Å; W62-T234 HydrophobicContact CH2-CG2 3.77Å; W62-T234 HydrophobicContact CZ2-CG2 4.08Å; W62-K235 HydrophobicContact CH2-CG 3.71Å; W62-K235 HydrophobicContact CZ2-CB 4.26Å; W62-K235 HydrophobicContact CZ2-CD 4.47Å; W62-K235 HydrophobicContact CZ2-CG 3.33Å; W62-L253 HydrophobicContact CZ3-CD2 4.33Å
63	G	98.3	Very high	98.5	Very high	21 Å²	21	43 Å²	43	22%	0.216	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	-165.5	179.4	0	0	0	0	0	112.6	L55 G56 V57	L55-G63 CarbonylContact C-O 3.45Å; L55-G63 WeakPolarHBondContact CA-O 3.39Å; L55-G63 WeakPolarHBondContact CB-O 3.48Å; G56-G63 PolarHBondContact N-O 2.91Å; V57-G63 WeakPolarHBondContact CB-O 3.4Å; V57-G63 PolarHBondContact N-O 3.1Å; V57-G63 PolarHBondContact O-N 3.36Å
64	G	97.6	Very high	98.6	Very high	14 Å²	14	39.6 Å²	39.6	14%	0.144	23%	0.233	C	C	.	.			trans	132.9	117.6	-175	0	0	0	0	0	110	T84 E90	G64-T84 VanDerWaalsContact C-CG2 3.45Å; G64-T84 WeakPolarHBondContact O-CG2 3.39Å; G64-E90 VanDerWaalsContact C-OE1 3.29Å; G64-E90 VanDerWaalsContact CA-OE1 3.24Å; G64-E90 WeakPolarHBondContact CA-OE1 3.44Å; G64-E90 PolarHBondContact N-OE1 2.7Å; G64-E90 VanDerWaalsContact N-OE1 3.13Å
65	S	98.4	Very high	98.5	Very high	84 Å²	84	40 Å²	40	59%	0.587	24%	0.236	S	C	*	.			trans	-136.3	12.5	-179.8	52.1	0	0	0	0	112.4	Q85 E90	S65-Q85 PolarHBondContact N-O 3.43Å; S65-E90 PolarHBondContact N-OE1 3.48Å; S65-E90 PolarHBondContact N-OE2 3.12Å; S65-E90 VanDerWaalsContact N-OE2 3.08Å; S65-E90 PolarHBondContact OG-OE1 2.88Å; S65-E90 PolarHBondContact OG-OE2 2.87Å
66	G	98.3	Very high	98.5	Very high	22 Å²	22	38.3 Å²	38.3	23%	0.227	23%	0.228	C	C	.	.	S	Bend	trans	-82.1	-154.6	174.8	0	0	0	0	0	113	V68 Q85	G66-V68 PolarHBondContact O-N 3.1Å; G66-Q85 WeakPolarHBondContact CA-O 3.26Å; G66-Q85 PolarHBondContact N-O 3.44Å
67	E	97.9	Very high	98.5	Very high	142 Å²	142	40.8 Å²	40.8	66%	0.664	24%	0.241	S	C	*	.			trans	-61.4	135.2	178	-173.1	-179.9	169.8	0	0	111.2	V69 Q85	E67-V69 HydrophobicContact CG-CG1 4.45Å; E67-Q85 VanDerWaalsContact O-CB 3.29Å; E67-Q85 WeakPolarHBondContact O-CB 3.33Å; E67-Q85 WeakPolarHBondContact O-CG 3.48Å; E67-Q85 PolarHBondContact O-N 3.12Å
68	V	98.6	Very high	98.5	Very high	73 Å²	73	43.7 Å²	43.7	44%	0.442	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	113.2	172.2	-178.9	0	0	0	0	108.5	G66 R82 T84	G66-V68 PolarHBondContact O-N 3.1Å; V68-R82 HydrophobicContact CG1-CB 3.83Å; V68-R82 HydrophobicContact CG1-CG 4.33Å; V68-T84 HydrophobicContact CG2-CG2 4.04Å
69	V	98.1	Very high	98.4	Very high	22 Å²	22	44.5 Å²	44.5	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	142.2	176	-62.4	0	0	0	0	110.7	E67 R82 V83 Q85 P227	E67-V69 HydrophobicContact CG-CG1 4.45Å; V69-R82 CarbonylContact O-C 3.57Å; V69-R82 VanDerWaalsContact O-CA 3.27Å; V69-R82 WeakPolarHBondContact O-CA 3.48Å; V69-V83 HydrophobicContact CG2-CB 4.19Å; V69-V83 WeakPolarHBondContact CG2-O 3.32Å; V69-V83 PolarHBondContact N-O 3.37Å; V69-V83 PolarHBondContact O-N 3.11Å; V69-Q85 VanDerWaalsContact CG1-CD 3.42Å; V69-Q85 HydrophobicContact CG1-CG 4.08Å; V69-Q85 HydrophobicContact CG2-CG 3.98Å; V69-P227 HydrophobicContact CG2-CG 4.15Å
70	T	98.8	Very high	98.5	Very high	49 Å²	49	43.8 Å²	43.8	30%	0.301	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125	171.9	-57.9	0	0	0	0	108.8	L35 Y72 P79	L35-T70 HydrophobicContact CD2-CG2 4.47Å; T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 4.41Å; T70-Y72 HydrophobicContact CG2-CE2 3.8Å; T70-Y72 VanDerWaalsContact O-CD2 3.24Å; T70-Y72 WeakPolarHBondContact O-CD2 3.34Å; T70-Y72 VanDerWaalsContact O-CE2 3.27Å; T70-Y72 WeakPolarHBondContact O-CE2 3.29Å; T70-P79 HydrophobicContact CG2-CB 3.44Å; T70-P79 VanDerWaalsContact CG2-CB 3.44Å
71	S	98.8	Very high	98.5	Very high	4 Å²	4	42 Å²	42	3%	0.028	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.8	173.7	-169.3	0	0	0	0	110	P79 I80 A81 E138	S71-P79 CarbonylContact O-C 3.43Å; S71-I80 PolarHBondContact O-N 3.02Å; S71-A81 PolarHBondContact N-O 2.84Å; S71-E138 VanDerWaalsContact CB-OE1 3.3Å; S71-E138 WeakPolarHBondContact CB-OE1 3.3Å; S71-E138 VanDerWaalsContact OG-CG 3.26Å; S71-E138 WeakPolarHBondContact OG-CG 3.48Å; S71-E138 PolarHBondContact OG-OE1 3.25Å
72	Y	98.9	Very high	98.5	Very high	125 Å²	125	42 Å²	42	49%	0.49	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142	-173.7	-69.2	-95.8	0	0	0	110.9	T70 P74 N77 E78 P79	T70-Y72 HydrophobicContact CG2-CD2 4.35Å; T70-Y72 HydrophobicContact CG2-CE1 4.41Å; T70-Y72 HydrophobicContact CG2-CE2 3.8Å; T70-Y72 VanDerWaalsContact O-CD2 3.24Å; T70-Y72 WeakPolarHBondContact O-CD2 3.34Å; T70-Y72 VanDerWaalsContact O-CE2 3.27Å; T70-Y72 WeakPolarHBondContact O-CE2 3.29Å; Y72-P74 WeakPolarHBondContact O-CD 3.16Å; Y72-N77 WeakPolarHBondContact CD1-O 3.45Å; Y72-E78 WeakPolarHBondContact CA-O 3.46Å; Y72-P79 HydrophobicContact CD1-CB 3.93Å; Y72-P79 HydrophobicContact CE1-CB 3.67Å; Y72-P79 HydrophobicContact CE1-CG 4.34Å
73	C	98.8	Very high	98.5	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.034	22%	0.215	C	C	.	.			trans	-75.4	121.5	171.6	169.4	0	0	0	0	109.3	L36 A75 N76 N77 E78 I80 L137	L36-C73 HydrophobicContact CD1-CB 3.87Å; C73-A75 PolarHBondContact O-N 3.01Å; C73-A75 PolarHBondContact SG-N 3.31Å; C73-N76 VanDerWaalsContact CB-OD1 3.24Å; C73-N76 WeakPolarHBondContact CB-OD1 3.24Å; C73-N76 PolarHBondContact O-N 3.09Å; C73-N76 PolarHBondContact O-OD1 2.98Å; C73-N76 PolarHBondContact SG-OD1 3.04Å; C73-N76 VanDerWaalsContact SG-OD1 3.37Å; C73-N77 WeakPolarHBondContact O-CA 3.39Å; C73-N77 PolarHBondContact O-N 2.85Å; C73-E78 PolarHBondContact N-O 3.44Å; C73-I80 HydrophobicContact CB-CD1 4.16Å; C73-I80 HydrophobicContact CB-CG1 4.03Å; C73-L137 WeakPolarHBondContact CA-O 3.15Å; C73-L137 HydrophobicContact CB-CD1 4Å; C73-L137 HydrophobicContact CB-CG 4.5Å; C73-L137 WeakPolarHBondContact CB-O 3.49Å; C73-L137 PolarHBondContact SG-O 3.22Å
74	P	98.8	Very high	98.5	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.019	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.2	-177.9	27.9	-33.9	0	0	0	113.6	Y72 L137 P374 L375 H376 G409 N410	Y72-P74 WeakPolarHBondContact O-CD 3.16Å; P74-L137 WeakPolarHBondContact CD-O 3.37Å; P74-P374 HydrophobicContact CB-CB 4.3Å; P74-P374 HydrophobicContact CB-CG 3.78Å; P74-P374 HydrophobicContact CG-CG 3.9Å; P74-P374 WeakPolarHBondContact O-CB 3.48Å; P74-L375 WeakPolarHBondContact CB-O 3.22Å; P74-H376 WeakPolarHBondContact CB-O 3.48Å; P74-G409 CarbonylContact O-C 3.48Å; P74-G409 WeakPolarHBondContact O-CA 3.43Å; P74-N410 WeakPolarHBondContact CB-ND2 3.37Å; P74-N410 PolarHBondContact O-N 3.45Å
75	A	98.6	Very high	98.6	Very high	12 Å²	12	38.4 Å²	38.4	10%	0.099	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.4	-178.6	0	0	0	0	0	113.3	C73 P365 P374 P408 G409 Y411	C73-A75 PolarHBondContact O-N 3.01Å; C73-A75 PolarHBondContact SG-N 3.31Å; A75-P365 HydrophobicContact CB-CG 4.32Å; A75-P374 HydrophobicContact CB-CG 4.16Å; A75-P408 CarbonylContact O-C 3.59Å; A75-G409 WeakPolarHBondContact O-CA 3.36Å; A75-Y411 WeakPolarHBondContact CB-OH 3.4Å; A75-Y411 WeakPolarHBondContact O-CE2 3.31Å
76	N	98.1	Very high	98.6	Very high	40 Å²	40	34.7 Å²	34.7	21%	0.214	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.3	-5.7	179.8	60.2	11.2	0	0	0	113.8	C73 E78	C73-N76 VanDerWaalsContact CB-OD1 3.24Å; C73-N76 WeakPolarHBondContact CB-OD1 3.24Å; C73-N76 PolarHBondContact O-N 3.09Å; C73-N76 PolarHBondContact O-OD1 2.98Å; C73-N76 PolarHBondContact SG-OD1 3.04Å; C73-N76 VanDerWaalsContact SG-OD1 3.37Å; N76-E78 HydrophobicContact CB-CG 4.37Å; N76-E78 PolarHBondContact O-N 2.98Å; N76-E78 WeakPolarHBondContact OD1-CB 3.5Å; N76-E78 PolarHBondContact OD1-N 2.85Å
77	N	98.4	Very high	98.6	Very high	51 Å²	51	35.7 Å²	35.7	27%	0.273	18%	0.182	S	C	.	.			trans	59.4	22.1	-173.6	-54.8	123.8	0	0	0	114.7	Y72 C73 G409 N410	Y72-N77 WeakPolarHBondContact CD1-O 3.45Å; C73-N77 WeakPolarHBondContact O-CA 3.39Å; C73-N77 PolarHBondContact O-N 2.85Å; N77-G409 WeakPolarHBondContact OD1-CA 3.33Å; N77-N410 PolarHBondContact ND2-OD1 2.93Å
78	E	98.4	Very high	98.7	Very high	65 Å²	65	33 Å²	33	30%	0.304	17%	0.171	S	C	.	.			trans	-84.8	143.7	174.8	-68.1	-173	-148.7	0	0	111.3	L36 Y72 C73 N76	L36-E78 HydrophobicContact CD1-CB 4.35Å; L36-E78 HydrophobicContact CD2-CB 3.75Å; L36-E78 HydrophobicContact CD2-CG 4.48Å; L36-E78 WeakPolarHBondContact CD2-OE2 3.29Å; L36-E78 HydrophobicContact CG-CB 4.1Å; Y72-E78 WeakPolarHBondContact CA-O 3.46Å; C73-E78 PolarHBondContact N-O 3.44Å; N76-E78 HydrophobicContact CB-CG 4.37Å; N76-E78 PolarHBondContact O-N 2.98Å; N76-E78 WeakPolarHBondContact OD1-CB 3.5Å; N76-E78 PolarHBondContact OD1-N 2.85Å
79	P	98.7	Very high	98.7	Very high	18 Å²	18	33 Å²	33	12%	0.117	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.8	179.3	31.4	-35.9	0	0	0	111	L35 L36 T70 S71 Y72	L35-P79 CarbonylContact C-O 3.54Å; L35-P79 WeakPolarHBondContact CA-O 3.36Å; L35-P79 HydrophobicContact CD2-CB 3.52Å; L35-P79 HydrophobicContact CD2-CG 3.78Å; L36-P79 PolarHBondContact N-O 3.49Å; T70-P79 HydrophobicContact CG2-CB 3.44Å; T70-P79 VanDerWaalsContact CG2-CB 3.44Å; S71-P79 CarbonylContact O-C 3.43Å; Y72-P79 HydrophobicContact CD1-CB 3.93Å; Y72-P79 HydrophobicContact CE1-CB 3.67Å; Y72-P79 HydrophobicContact CE1-CG 4.34Å
80	I	98.8	Very high	98.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-63	-177.2	-56.3	165	0	0	0	110.6	L36 I37 L45 S71 C73 L137 E138 L228	L36-I80 HydrophobicContact CD1-CG1 4.09Å; L36-I80 PolarHBondContact N-O 3.01Å; I37-I80 WeakPolarHBondContact CB-O 3.5Å; I37-I80 WeakPolarHBondContact CG2-O 3.42Å; I37-I80 PolarHBondContact N-O 2.85Å; I37-I80 VanDerWaalsContact N-O 3.13Å; L45-I80 HydrophobicContact CD1-CG2 4.01Å; S71-I80 PolarHBondContact O-N 3.02Å; C73-I80 HydrophobicContact CB-CD1 4.16Å; C73-I80 HydrophobicContact CB-CG1 4.03Å; I80-L137 HydrophobicContact CD1-CD2 4.38Å; I80-L137 HydrophobicContact CD1-CG 4.03Å; I80-L137 HydrophobicContact CG1-CD2 4.42Å; I80-L137 HydrophobicContact CG1-CG 4.35Å; I80-L137 HydrophobicContact CG2-CD2 4.04Å; I80-E138 HydrophobicContact CD1-CB 3.97Å; I80-E138 HydrophobicContact CD1-CG 4.12Å; I80-L228 HydrophobicContact CB-CD1 3.81Å; I80-L228 HydrophobicContact CD1-CD1 4.47Å; I80-L228 HydrophobicContact CG2-CD1 3.53Å
81	A	98.8	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	176.5	-178.5	0	0	0	0	0	109.4	I37 S71 L228	I37-A81 HydrophobicContact CB-CB 4.32Å; I37-A81 HydrophobicContact CD1-CB 4.22Å; I37-A81 HydrophobicContact CG2-CB 4Å; S71-A81 PolarHBondContact N-O 2.84Å; A81-L228 HydrophobicContact CB-CD1 3.94Å; A81-L228 HydrophobicContact CB-CD2 3.83Å
82	R	98.9	Very high	98.7	Very high	58 Å²	58	34.5 Å²	34.5	22%	0.219	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.6	-176.5	-60.9	-177.3	-61.9	-93.2	-1.2	112.2	E52 D53 N54 V68 V69	E52-R82 PolarHBondContact O-N 2.81Å; E52-R82 IonicContact OE1-CZ 3.61Å; E52-R82 VanDerWaalsContact OE1-CZ 3.27Å; E52-R82 IonicContact OE1-NH1 2.83Å; E52-R82 PolarHBondContact OE1-NH1 3.01Å; E52-R82 IonicContact OE1-NH2 3.54Å; E52-R82 PolarHBondContact OE1-NH2 3.33Å; D53-R82 IonicContact OD1-CZ 3.27Å; D53-R82 VanDerWaalsContact OD1-CZ 3.26Å; D53-R82 IonicContact OD1-NE 2.9Å; D53-R82 PolarHBondContact OD1-NE 3.38Å; D53-R82 IonicContact OD1-NH2 2.7Å; D53-R82 PolarHBondContact OD1-NH2 3.27Å; D53-R82 IonicContact OD2-CZ 3.26Å; D53-R82 IonicContact OD2-NE 2.69Å; D53-R82 IonicContact OD2-NH2 3.05Å; D53-R82 PolarHBondContact OD2-NH2 3.06Å; N54-R82 PolarHBondContact N-O 2.94Å; N54-R82 PolarHBondContact ND2-O 3.42Å; V68-R82 HydrophobicContact CG1-CB 3.83Å; V68-R82 HydrophobicContact CG1-CG 4.33Å; V69-R82 CarbonylContact O-C 3.57Å; V69-R82 VanDerWaalsContact O-CA 3.27Å; V69-R82 WeakPolarHBondContact O-CA 3.48Å
83	V	98.9	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126	173.3	-175.1	0	0	0	0	109.7	N54 V69 P227 L228 V231 C255	N54-V83 HydrophobicContact CB-CG2 4.22Å; N54-V83 CarbonylContact O-C 3.58Å; N54-V83 VanDerWaalsContact O-CA 3.29Å; N54-V83 WeakPolarHBondContact O-CA 3.45Å; V69-V83 HydrophobicContact CG2-CB 4.19Å; V69-V83 WeakPolarHBondContact CG2-O 3.32Å; V69-V83 PolarHBondContact N-O 3.37Å; V69-V83 PolarHBondContact O-N 3.11Å; V83-P227 HydrophobicContact CB-CB 4.03Å; V83-P227 HydrophobicContact CB-CG 4.28Å; V83-P227 HydrophobicContact CG1-CB 4.26Å; V83-P227 HydrophobicContact CG2-CB 3.77Å; V83-P227 HydrophobicContact CG2-CG 3.83Å; V83-L228 HydrophobicContact CG2-CD2 3.58Å; V83-L228 HydrophobicContact CG2-CG 4.22Å; V83-V231 HydrophobicContact CG1-CG2 4.12Å; V83-C255 HydrophobicContact CG1-CB 4.4Å
84	T	98.9	Very high	98.7	Very high	21 Å²	21	30.2 Å²	30.2	13%	0.129	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	114.1	172.4	-47.4	0	0	0	0	109.6	N54 G56 G64 V68	N54-T84 PolarHBondContact O-N 3.23Å; G56-T84 WeakPolarHBondContact CA-O 3.24Å; G56-T84 PolarHBondContact N-O 3.36Å; G64-T84 VanDerWaalsContact C-CG2 3.45Å; G64-T84 WeakPolarHBondContact O-CG2 3.39Å; V68-T84 HydrophobicContact CG2-CG2 4.04Å
85	Q	98.7	Very high	98.7	Very high	13 Å²	13	30 Å²	30	6%	0.061	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-74.6	171	-175.8	-65.7	-174.2	-40.2	0	0	112.7	S65 G66 E67 V69 C255	S65-Q85 PolarHBondContact N-O 3.43Å; G66-Q85 WeakPolarHBondContact CA-O 3.26Å; G66-Q85 PolarHBondContact N-O 3.44Å; E67-Q85 VanDerWaalsContact O-CB 3.29Å; E67-Q85 WeakPolarHBondContact O-CB 3.33Å; E67-Q85 WeakPolarHBondContact O-CG 3.48Å; E67-Q85 PolarHBondContact O-N 3.12Å; V69-Q85 VanDerWaalsContact CG1-CD 3.42Å; V69-Q85 HydrophobicContact CG1-CG 4.08Å; V69-Q85 HydrophobicContact CG2-CG 3.98Å; Q85-C255 WeakPolarHBondContact CB-O 3.43Å; Q85-C255 HydrophobicContact CG-CB 4.37Å
86	A	98.8	Very high	98.7	Very high	5 Å²	5	34.5 Å²	34.5	4%	0.041	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-74.1	139	175.7	0	0	0	0	0	111.5	V57 T254 C255 I260	V57-A86 HydrophobicContact CG2-CB 3.53Å; A86-T254 HydrophobicContact CB-CG2 4.19Å; A86-C255 PolarHBondContact N-O 2.77Å; A86-I260 HydrophobicContact CB-CD1 3.8Å; A86-I260 HydrophobicContact CB-CG1 4.41Å
87	T	98.8	Very high	98.8	Very high	43 Å²	43	36.8 Å²	36.8	26%	0.264	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-80.1	166.2	157.5	62.9	0	0	0	0	110.9	A89 E90 Y91	T87-A89 PolarHBondContact O-N 3.27Å; T87-E90 PolarHBondContact N-OE2 3.09Å; T87-E90 PolarHBondContact O-N 3.16Å; T87-E90 WeakPolarHBondContact OG1-CG 3.46Å; T87-E90 PolarHBondContact OG1-N 2.96Å; T87-E90 PolarHBondContact OG1-OE2 3.44Å; T87-Y91 PolarHBondContact O-N 2.82Å
88	M	98.8	Very high	98.8	Very high	85 Å²	85	34.4 Å²	34.4	42%	0.419	18%	0.184	S	C	.	.	H	α-helix	trans	-60.4	-32.3	171.4	-70.2	-56.6	108	0	0	112.9	Y91 E92 D259 I260 A263	M88-Y91 WeakPolarHBondContact O-CB 3.3Å; M88-Y91 PolarHBondContact O-N 2.77Å; M88-E92 WeakPolarHBondContact O-CB 3.21Å; M88-E92 PolarHBondContact O-N 3.09Å; M88-D259 HydrophobicContact CE-CB 4.05Å; M88-D259 WeakPolarHBondContact CE-OD2 3.4Å; M88-I260 HydrophobicContact CE-CB 4.48Å; M88-I260 HydrophobicContact CE-CD1 3.21Å; M88-I260 HydrophobicContact CE-CG1 3.71Å; M88-I260 HydrophobicContact SD-CD1 4.4Å; M88-A263 HydrophobicContact SD-CB 4.13Å
89	A	98.8	Very high	98.8	Very high	74 Å²	74	33.4 Å²	33.4	61%	0.612	18%	0.177	S	C	*	.	H	α-helix	trans	-68.6	-38.4	176.6	0	0	0	0	0	111.8	T87 E92 A93	T87-A89 PolarHBondContact O-N 3.27Å; A89-E92 PolarHBondContact O-N 3.22Å; A89-A93 WeakPolarHBondContact O-CB 3.46Å; A89-A93 PolarHBondContact O-N 2.75Å
90	E	98.8	Very high	98.8	Very high	34 Å²	34	37.6 Å²	37.6	16%	0.159	20%	0.195	C	C	.	.	H	α-helix	trans	-71.6	-34.5	174.9	-71.6	166.7	146.6	0	0	112.2	V57 G64 S65 T87 T94	V57-E90 HydrophobicContact CG2-CB 4.25Å; G64-E90 VanDerWaalsContact C-OE1 3.29Å; G64-E90 VanDerWaalsContact CA-OE1 3.24Å; G64-E90 WeakPolarHBondContact CA-OE1 3.44Å; G64-E90 PolarHBondContact N-OE1 2.7Å; G64-E90 VanDerWaalsContact N-OE1 3.13Å; S65-E90 PolarHBondContact N-OE1 3.48Å; S65-E90 PolarHBondContact N-OE2 3.12Å; S65-E90 VanDerWaalsContact N-OE2 3.08Å; S65-E90 PolarHBondContact OG-OE1 2.88Å; S65-E90 PolarHBondContact OG-OE2 2.87Å; T87-E90 PolarHBondContact N-OE2 3.09Å; T87-E90 PolarHBondContact O-N 3.16Å; T87-E90 WeakPolarHBondContact OG1-CG 3.46Å; T87-E90 PolarHBondContact OG1-N 2.96Å; T87-E90 PolarHBondContact OG1-OE2 3.44Å; E90-T94 VanDerWaalsContact O-CB 3.24Å; E90-T94 WeakPolarHBondContact O-CB 3.22Å; E90-T94 PolarHBondContact O-N 2.84Å; E90-T94 PolarHBondContact O-OG1 2.86Å
91	Y	98.9	Very high	98.8	Very high	9 Å²	9	37.9 Å²	37.9	4%	0.035	20%	0.197	C	C	.	.	H	α-helix	trans	-58.4	-51.6	168.1	168.1	-97.1	0	0	0	111.1	T87 M88 A93 T94 V95 L219 I260 A263 M264 D267	T87-Y91 PolarHBondContact O-N 2.82Å; M88-Y91 WeakPolarHBondContact O-CB 3.3Å; M88-Y91 PolarHBondContact O-N 2.77Å; Y91-A93 PolarHBondContact O-N 2.88Å; Y91-T94 WeakPolarHBondContact O-CB 3.28Å; Y91-T94 PolarHBondContact O-N 2.95Å; Y91-T94 VanDerWaalsContact O-N 3.09Å; Y91-V95 HydrophobicContact CD1-CG2 4.48Å; Y91-V95 HydrophobicContact CD2-CG2 4.23Å; Y91-V95 HydrophobicContact CE1-CG2 3.97Å; Y91-V95 HydrophobicContact CE2-CG2 3.71Å; Y91-V95 WeakPolarHBondContact O-CG2 3.32Å; Y91-V95 PolarHBondContact O-N 3.16Å; Y91-L219 HydrophobicContact CD2-CD2 4.22Å; Y91-L219 HydrophobicContact CE2-CD2 3.75Å; Y91-I260 HydrophobicContact CD2-CD1 4.4Å; Y91-I260 HydrophobicContact CD2-CG2 4.1Å; Y91-I260 HydrophobicContact CG-CD1 4.26Å; Y91-A263 HydrophobicContact CD1-CB 4.2Å; Y91-A263 HydrophobicContact CE1-CB 3.87Å; Y91-M264 HydrophobicContact CE2-CG 3.55Å; Y91-M264 WeakPolarHBondContact OH-CA 3.39Å; Y91-D267 WeakPolarHBondContact CE1-OD2 3.26Å; Y91-D267 VanDerWaalsContact OH-CB 3.32Å; Y91-D267 WeakPolarHBondContact OH-CB 3.42Å; Y91-D267 PolarHBondContact OH-OD2 3.35Å
92	E	98.9	Very high	98.9	Very high	64 Å²	64	41.2 Å²	41.2	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-56.5	-50	178.9	176.7	57	-150.1	0	0	112	M88 A89 T94 V95 Q96 R269	M88-E92 WeakPolarHBondContact O-CB 3.21Å; M88-E92 PolarHBondContact O-N 3.09Å; A89-E92 PolarHBondContact O-N 3.22Å; E92-T94 VanDerWaalsContact C-N 3.27Å; E92-T94 PolarHBondContact O-N 3Å; E92-V95 PolarHBondContact O-N 3.07Å; E92-Q96 WeakPolarHBondContact O-CG 3.29Å; E92-Q96 PolarHBondContact O-N 3.28Å; E92-Q96 VanDerWaalsContact O-N 3.12Å; E92-Q96 PolarHBondContact OE1-NE2 3.1Å; E92-R269 IonicContact OE1-CZ 2.64Å; E92-R269 IonicContact OE1-NH1 2.99Å; E92-R269 PolarHBondContact OE1-NH1 3.42Å; E92-R269 IonicContact OE1-NH2 3.35Å; E92-R269 IonicContact OE2-CZ 2.74Å; E92-R269 IonicContact OE2-NH1 3.81Å; E92-R269 PolarHBondContact OE2-NH1 3.4Å; E92-R269 VanDerWaalsContact OE2-NH1 3.08Å; E92-R269 IonicContact OE2-NH2 2.72Å; E92-R269 PolarHBondContact OE2-NH2 3.13Å
93	A	98.8	Very high	98.8	Very high	39 Å²	39	43.6 Å²	43.6	32%	0.322	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-35.9	177.3	0	0	0	0	0	112.4	A89 Y91 K97	A89-A93 WeakPolarHBondContact O-CB 3.46Å; A89-A93 PolarHBondContact O-N 2.75Å; Y91-A93 PolarHBondContact O-N 2.88Å; A93-K97 WeakPolarHBondContact O-CG 3.44Å; A93-K97 PolarHBondContact O-N 3.25Å; A93-K97 VanDerWaalsContact O-N 3.07Å
94	T	98.9	Very high	98.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.9	-44.5	178.5	-62.2	0	0	0	0	111.8	N59 E90 Y91 E92 Q96 K97 A98 L219 T254	N59-T94 HydrophobicContact CB-CG2 3.84Å; N59-T94 PolarHBondContact ND2-OG1 3.27Å; E90-T94 VanDerWaalsContact O-CB 3.24Å; E90-T94 WeakPolarHBondContact O-CB 3.22Å; E90-T94 PolarHBondContact O-N 2.84Å; E90-T94 PolarHBondContact O-OG1 2.86Å; Y91-T94 WeakPolarHBondContact O-CB 3.28Å; Y91-T94 PolarHBondContact O-N 2.95Å; Y91-T94 VanDerWaalsContact O-N 3.09Å; E92-T94 VanDerWaalsContact C-N 3.27Å; E92-T94 PolarHBondContact O-N 3Å; T94-Q96 VanDerWaalsContact C-N 3.32Å; T94-Q96 PolarHBondContact O-N 3.18Å; T94-K97 PolarHBondContact O-N 3.09Å; T94-A98 WeakPolarHBondContact O-CB 3.36Å; T94-A98 PolarHBondContact O-N 3.01Å; T94-L219 HydrophobicContact CG2-CD1 3.65Å; T94-T254 HydrophobicContact CG2-CG2 3.94Å
95	V	98.9	Very high	98.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-44.8	176.3	172.1	0	0	0	0	110.6	Y91 E92 A98 R99 L190 L219 R269	Y91-V95 HydrophobicContact CD1-CG2 4.48Å; Y91-V95 HydrophobicContact CD2-CG2 4.23Å; Y91-V95 HydrophobicContact CE1-CG2 3.97Å; Y91-V95 HydrophobicContact CE2-CG2 3.71Å; Y91-V95 WeakPolarHBondContact O-CG2 3.32Å; Y91-V95 PolarHBondContact O-N 3.16Å; E92-V95 PolarHBondContact O-N 3.07Å; V95-A98 PolarHBondContact O-N 2.79Å; V95-R99 HydrophobicContact CG1-CG 4.43Å; V95-R99 WeakPolarHBondContact O-CB 3.37Å; V95-R99 WeakPolarHBondContact O-CG 3.35Å; V95-R99 PolarHBondContact O-N 2.82Å; V95-L190 HydrophobicContact CG1-CD2 4.06Å; V95-L219 HydrophobicContact CG2-CD2 3.76Å; V95-R269 HydrophobicContact CG1-CB 3.93Å
96	Q	98.9	Very high	98.8	Very high	106 Å²	106	46.8 Å²	46.8	50%	0.495	25%	0.245	S	C	.	.	H	α-helix	trans	-58.9	-49.8	176.2	-68.7	176	12.9	0	0	111.6	E92 T94 A98 R99 E100	E92-Q96 WeakPolarHBondContact O-CG 3.29Å; E92-Q96 PolarHBondContact O-N 3.28Å; E92-Q96 VanDerWaalsContact O-N 3.12Å; E92-Q96 PolarHBondContact OE1-NE2 3.1Å; T94-Q96 VanDerWaalsContact C-N 3.32Å; T94-Q96 PolarHBondContact O-N 3.18Å; Q96-A98 PolarHBondContact O-N 2.95Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 2.8Å; Q96-E100 WeakPolarHBondContact O-CG 3.43Å; Q96-E100 PolarHBondContact O-N 3.26Å
97	K	98.9	Very high	98.8	Very high	88 Å²	88	53.2 Å²	53.2	38%	0.383	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-40.8	178.9	-75.1	-177.3	179.4	-172.7	0	113.1	N59 S61 A93 T94 R99 E100 A101 A249	N59-K97 HydrophobicContact CB-CB 4.46Å; N59-K97 HydrophobicContact CB-CD 3.96Å; N59-K97 WeakPolarHBondContact OD1-CD 3.3Å; N59-K97 PolarHBondContact OD1-NZ 2.66Å; S61-K97 PolarHBondContact OG-NZ 3.2Å; A93-K97 WeakPolarHBondContact O-CG 3.44Å; A93-K97 PolarHBondContact O-N 3.25Å; A93-K97 VanDerWaalsContact O-N 3.07Å; T94-K97 PolarHBondContact O-N 3.09Å; K97-R99 VanDerWaalsContact C-N 3.31Å; K97-R99 PolarHBondContact O-N 2.65Å; K97-E100 PolarHBondContact O-N 3.39Å; K97-A101 WeakPolarHBondContact O-CB 3.37Å; K97-A101 PolarHBondContact O-N 3.48Å; K97-A249 HydrophobicContact CB-CB 3.97Å
98	A	98.9	Very high	98.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.2	-42.6	176.9	0	0	0	0	0	110.7	T94 V95 Q96 E100 A101 W102 L190 V217	T94-A98 WeakPolarHBondContact O-CB 3.36Å; T94-A98 PolarHBondContact O-N 3.01Å; V95-A98 PolarHBondContact O-N 2.79Å; Q96-A98 PolarHBondContact O-N 2.95Å; A98-E100 VanDerWaalsContact C-N 3.34Å; A98-E100 PolarHBondContact O-N 3.43Å; A98-A101 PolarHBondContact O-N 2.91Å; A98-W102 PolarHBondContact O-N 2.68Å; A98-L190 HydrophobicContact CB-CD1 4.1Å; A98-V217 HydrophobicContact CB-CG2 4.25Å; A98-V217 WeakPolarHBondContact O-CG2 3.11Å
99	R	98.9	Very high	98.8	Very high	45 Å²	45	52.3 Å²	52.3	17%	0.17	28%	0.277	C	S	.	.	H	α-helix	trans	-63	-38.5	176.8	-72.7	-93.6	49.6	133.2	-6.4	113.1	V95 Q96 K97 W102 R269 D271	V95-R99 HydrophobicContact CG1-CG 4.43Å; V95-R99 WeakPolarHBondContact O-CB 3.37Å; V95-R99 WeakPolarHBondContact O-CG 3.35Å; V95-R99 PolarHBondContact O-N 2.82Å; Q96-R99 WeakPolarHBondContact O-CB 3.37Å; Q96-R99 PolarHBondContact O-N 2.8Å; K97-R99 VanDerWaalsContact C-N 3.31Å; K97-R99 PolarHBondContact O-N 2.65Å; R99-W102 VanDerWaalsContact NH2-CE3 3.29Å; R99-W102 WeakPolarHBondContact O-CB 3.29Å; R99-R269 PolarHBondContact NH1-O 2.97Å; R99-D271 IonicContact CZ-OD2 3.36Å; R99-D271 IonicContact NH1-OD2 3.66Å; R99-D271 PolarHBondContact NH1-OD2 2.89Å
100	E	98.9	Very high	98.9	Very high	106 Å²	106	49.6 Å²	49.6	50%	0.495	26%	0.255	S	S	.	.	H	α-helix	trans	-68	-43.7	173.1	-68.7	-54.1	124.6	0	0	111.8	Q96 K97 A98 W102 K103	Q96-E100 WeakPolarHBondContact O-CG 3.43Å; Q96-E100 PolarHBondContact O-N 3.26Å; K97-E100 PolarHBondContact O-N 3.39Å; A98-E100 VanDerWaalsContact C-N 3.34Å; A98-E100 PolarHBondContact O-N 3.43Å; E100-W102 PolarHBondContact O-N 2.99Å; E100-K103 WeakPolarHBondContact O-CB 3.37Å; E100-K103 PolarHBondContact O-N 3.01Å; E100-K103 VanDerWaalsContact O-N 3.14Å; E100-K103 WeakPolarHBondContact OE1-CE 3.48Å; E100-K103 IonicContact OE1-NZ 3.75Å; E100-K103 PolarHBondContact OE1-NZ 2.95Å; E100-K103 WeakPolarHBondContact OE2-CE 3.28Å; E100-K103 IonicContact OE2-NZ 2.62Å; E100-K103 PolarHBondContact OE2-NZ 2.96Å
101	A	98.9	Very high	98.9	Very high	5 Å²	5	50.2 Å²	50.2	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-33.2	176	0	0	0	0	0	112.8	K97 A98 K103 V104 W105 P247 A249 I250	K97-A101 WeakPolarHBondContact O-CB 3.37Å; K97-A101 PolarHBondContact O-N 3.48Å; A98-A101 PolarHBondContact O-N 2.91Å; A101-K103 VanDerWaalsContact C-N 3.26Å; A101-K103 PolarHBondContact O-N 3.04Å; A101-V104 PolarHBondContact O-N 3.06Å; A101-W105 PolarHBondContact O-N 3.1Å; A101-P247 HydrophobicContact CB-CB 3.76Å; A101-P247 HydrophobicContact CB-CG 4.35Å; A101-A249 HydrophobicContact CB-CB 3.96Å; A101-I250 HydrophobicContact CB-CG1 4.11Å
102	W	98.9	Very high	98.9	Very high	70 Å²	70	56.5 Å²	56.5	27%	0.265	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-34.4	176.6	178.4	76.6	0	0	0	113.1	A98 R99 E100 V104 W105 A106 P187 G215 V217	A98-W102 PolarHBondContact O-N 2.68Å; R99-W102 VanDerWaalsContact NH2-CE3 3.29Å; R99-W102 WeakPolarHBondContact O-CB 3.29Å; E100-W102 PolarHBondContact O-N 2.99Å; W102-V104 PolarHBondContact O-N 2.74Å; W102-W105 PolarHBondContact O-N 3.03Å; W102-A106 HydrophobicContact CD2-CB 4.23Å; W102-A106 HydrophobicContact CZ2-CB 3.96Å; W102-A106 VanDerWaalsContact O-CB 3.31Å; W102-A106 WeakPolarHBondContact O-CB 3.48Å; W102-A106 PolarHBondContact O-N 2.85Å; W102-P187 HydrophobicContact CZ2-CG 4.1Å; W102-G215 PolarHBondContact NE1-O 3.02Å; W102-G215 VanDerWaalsContact NE1-O 3.1Å; W102-V217 HydrophobicContact CB-CB 4.48Å; W102-V217 HydrophobicContact CB-CG1 3.74Å; W102-V217 HydrophobicContact CB-CG2 3.88Å; W102-V217 HydrophobicContact CG-CG1 4.45Å; W102-V217 HydrophobicContact CG-CG2 4.47Å
103	K	98.8	Very high	98.9	Very high	109 Å²	109	54.1 Å²	54.1	47%	0.474	28%	0.278	S	S	.	.	H	α-helix	trans	-58.7	-38.9	177.9	-61.1	176.6	-174.1	166.6	0	111.3	E100 A101	E100-K103 WeakPolarHBondContact O-CB 3.37Å; E100-K103 PolarHBondContact O-N 3.01Å; E100-K103 VanDerWaalsContact O-N 3.14Å; E100-K103 WeakPolarHBondContact OE1-CE 3.48Å; E100-K103 IonicContact OE1-NZ 3.75Å; E100-K103 PolarHBondContact OE1-NZ 2.95Å; E100-K103 WeakPolarHBondContact OE2-CE 3.28Å; E100-K103 IonicContact OE2-NZ 2.62Å; E100-K103 PolarHBondContact OE2-NZ 2.96Å; A101-K103 VanDerWaalsContact C-N 3.26Å; A101-K103 PolarHBondContact O-N 3.04Å
104	V	98.7	Very high	98.9	Very high	76 Å²	76	52.3 Å²	52.3	46%	0.461	26%	0.262	S	S	.	.	H	α-helix	trans	-76.1	-45.1	175.1	-179.4	0	0	0	0	110.8	A101 W102 D107	A101-V104 PolarHBondContact O-N 3.06Å; W102-V104 PolarHBondContact O-N 2.74Å; V104-D107 PolarHBondContact O-N 2.83Å
105	W	98.9	Very high	98.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.8	-39.7	-172.9	-176.7	-119.7	0	0	0	113.9	A101 W102 D107 I108 R113 I116 M212 N216 V217 L246 I250	A101-W105 PolarHBondContact O-N 3.1Å; W102-W105 PolarHBondContact O-N 3.03Å; W105-D107 VanDerWaalsContact C-N 3.25Å; W105-D107 PolarHBondContact O-N 3.39Å; W105-I108 HydrophobicContact CE3-CD1 3.78Å; W105-I108 HydrophobicContact CZ3-CD1 4.02Å; W105-I108 PolarHBondContact O-N 3.22Å; W105-R113 HydrophobicContact CD2-CG 4.33Å; W105-R113 HydrophobicContact CE3-CG 4.33Å; W105-R113 HydrophobicContact CH2-CB 3.57Å; W105-R113 HydrophobicContact CH2-CG 3.58Å; W105-R113 HydrophobicContact CZ2-CB 3.55Å; W105-R113 HydrophobicContact CZ2-CG 3.57Å; W105-R113 HydrophobicContact CZ3-CB 4.4Å; W105-R113 HydrophobicContact CZ3-CG 3.97Å; W105-I116 HydrophobicContact CH2-CB 4.04Å; W105-I116 HydrophobicContact CH2-CG1 3.99Å; W105-I116 HydrophobicContact CH2-CG2 4.32Å; W105-I116 HydrophobicContact CZ3-CG1 4.1Å; W105-M212 HydrophobicContact CH2-CE 4.05Å; W105-M212 HydrophobicContact CZ2-CB 4.06Å; W105-M212 HydrophobicContact CZ2-CE 3.85Å; W105-M212 WeakPolarHBondContact CZ2-O 3.38Å; W105-M212 PolarHBondContact NE1-O 3.48Å; W105-N216 PolarHBondContact NE1-O 3.21Å; W105-V217 HydrophobicContact CB-CG1 4.25Å; W105-V217 HydrophobicContact CG-CG1 4.43Å; W105-L246 HydrophobicContact CE3-CD1 4.4Å; W105-L246 HydrophobicContact CZ3-CD1 3.79Å; W105-I250 HydrophobicContact CB-CD1 4.08Å; W105-I250 HydrophobicContact CB-CG1 4.08Å; W105-I250 HydrophobicContact CD2-CD1 3.96Å; W105-I250 HydrophobicContact CD2-CG1 4.41Å; W105-I250 HydrophobicContact CD2-CG2 4.08Å; W105-I250 HydrophobicContact CE3-CD1 3.63Å; W105-I250 HydrophobicContact CG-CD1 4.17Å; W105-I250 HydrophobicContact CG-CG1 4.23Å; W105-I250 HydrophobicContact CG-CG2 4.24Å; W105-I250 HydrophobicContact CZ3-CD1 4.37Å
106	A	98.8	Very high	98.9	Very high	25 Å²	25	56.2 Å²	56.2	21%	0.207	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-31.1	-179.6	0	0	0	0	0	112.6	W102 I108 R113 P187	W102-A106 HydrophobicContact CD2-CB 4.23Å; W102-A106 HydrophobicContact CZ2-CB 3.96Å; W102-A106 VanDerWaalsContact O-CB 3.31Å; W102-A106 WeakPolarHBondContact O-CB 3.48Å; W102-A106 PolarHBondContact O-N 2.85Å; A106-I108 VanDerWaalsContact C-N 3.3Å; A106-I108 PolarHBondContact O-N 3.25Å; A106-R113 PolarHBondContact O-NH1 2.81Å; A106-P187 HydrophobicContact CB-CG 4.28Å
107	D	98.8	Very high	98.9	Very high	139 Å²	139	51.1 Å²	51.1	74%	0.743	26%	0.257	S	S	*	.	H	α-helix	trans	-76.3	-16.4	179.5	-73.8	-8.2	0	0	0	113	V104 W105 P109	V104-D107 PolarHBondContact O-N 2.83Å; W105-D107 VanDerWaalsContact C-N 3.25Å; W105-D107 PolarHBondContact O-N 3.39Å; D107-P109 WeakPolarHBondContact O-CD 3.41Å
108	I	98.9	Very high	98.9	Very high	37 Å²	37	50.6 Å²	50.6	19%	0.19	25%	0.253	C	S	.	.	S	Bend	trans	-74.6	124	175.3	-61.8	-179.1	0	0	0	108.8	W105 A106 K112 R113 L246	W105-I108 HydrophobicContact CE3-CD1 3.78Å; W105-I108 HydrophobicContact CZ3-CD1 4.02Å; W105-I108 PolarHBondContact O-N 3.22Å; A106-I108 VanDerWaalsContact C-N 3.3Å; A106-I108 PolarHBondContact O-N 3.25Å; I108-K112 HydrophobicContact CG2-CB 3.61Å; I108-R113 HydrophobicContact CB-CG 4.02Å; I108-R113 HydrophobicContact CG2-CG 3.77Å; I108-R113 PolarHBondContact O-NH1 2.84Å; I108-L246 HydrophobicContact CD1-CD2 3.54Å
109	P	98.9	Very high	98.9	Very high	72 Å²	72	52.6 Å²	52.6	47%	0.468	26%	0.262	S	S	.	.			trans	-53.1	140.9	178.7	-28.7	34.6	0	0	0	113.3	D107 P111 K112 R113	D107-P109 WeakPolarHBondContact O-CD 3.41Å; P109-P111 VanDerWaalsContact C-CD 3.49Å; P109-P111 VanDerWaalsContact C-N 3.32Å; P109-P111 VanDerWaalsContact O-N 3.15Å; P109-K112 HydrophobicContact CG-CD 4.48Å; P109-K112 WeakPolarHBondContact O-CA 3.46Å; P109-K112 WeakPolarHBondContact O-CB 3.44Å; P109-K112 PolarHBondContact O-N 2.95Å; P109-R113 PolarHBondContact O-N 3.15Å; P109-R113 VanDerWaalsContact O-N 3.07Å
110	A	98.8	Very high	98.9	Very high	17 Å²	17	50.4 Å²	50.4	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-49.4	-44	-176.8	0	0	0	0	0	114.1	K112 R113 G114 S164 I167	A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 3.28Å; A110-R113 VanDerWaalsContact CB-NH2 3.31Å; A110-R113 WeakPolarHBondContact O-CA 3.47Å; A110-R113 WeakPolarHBondContact O-CB 3.32Å; A110-R113 PolarHBondContact O-N 3.45Å; A110-G114 PolarHBondContact O-N 3.24Å; A110-S164 CarbonylContact C-O 3.55Å; A110-S164 VanDerWaalsContact CB-O 3.3Å; A110-S164 WeakPolarHBondContact CB-O 3.38Å; A110-S164 WeakPolarHBondContact O-CB 3.42Å; A110-I167 HydrophobicContact CB-CD1 4.05Å; A110-I167 HydrophobicContact CB-CG1 4.49Å
111	P	98.9	Very high	98.9	Very high	47 Å²	47	45.4 Å²	45.4	31%	0.305	23%	0.23	S	C	.	.	H	α-helix	trans	-63	-30.2	177.1	-24.9	36.2	0	0	0	114.4	P109 G114 E115 R165	P109-P111 VanDerWaalsContact C-CD 3.49Å; P109-P111 VanDerWaalsContact C-N 3.32Å; P109-P111 VanDerWaalsContact O-N 3.15Å; P111-G114 PolarHBondContact O-N 3.37Å; P111-E115 PolarHBondContact O-N 2.82Å; P111-R165 HydrophobicContact CB-CG 4.17Å; P111-R165 HydrophobicContact CG-CG 4.14Å
112	K	98.9	Very high	98.9	Very high	141 Å²	141	47.6 Å²	47.6	61%	0.613	24%	0.241	S	C	*	.	H	α-helix	trans	-75.6	-33.1	174.3	-70.6	-171.8	178.4	-178.7	0	111.5	I108 P109 A110 G114 E115 I116	I108-K112 HydrophobicContact CG2-CB 3.61Å; P109-K112 HydrophobicContact CG-CD 4.48Å; P109-K112 WeakPolarHBondContact O-CA 3.46Å; P109-K112 WeakPolarHBondContact O-CB 3.44Å; P109-K112 PolarHBondContact O-N 2.95Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 3.28Å; K112-G114 VanDerWaalsContact C-N 3.32Å; K112-E115 WeakPolarHBondContact O-CB 3.13Å; K112-E115 PolarHBondContact O-N 3.25Å; K112-I116 PolarHBondContact O-N 2.98Å
113	R	98.9	Very high	98.9	Very high	15 Å²	15	44.9 Å²	44.9	6%	0.057	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-39.8	169.4	-59.5	-170.4	-59.9	-113.1	8	111.2	W105 A106 I108 P109 A110 E115 I116 V117 T213 G215	W105-R113 HydrophobicContact CD2-CG 4.33Å; W105-R113 HydrophobicContact CE3-CG 4.33Å; W105-R113 HydrophobicContact CH2-CB 3.57Å; W105-R113 HydrophobicContact CH2-CG 3.58Å; W105-R113 HydrophobicContact CZ2-CB 3.55Å; W105-R113 HydrophobicContact CZ2-CG 3.57Å; W105-R113 HydrophobicContact CZ3-CB 4.4Å; W105-R113 HydrophobicContact CZ3-CG 3.97Å; A106-R113 PolarHBondContact O-NH1 2.81Å; I108-R113 HydrophobicContact CB-CG 4.02Å; I108-R113 HydrophobicContact CG2-CG 3.77Å; I108-R113 PolarHBondContact O-NH1 2.84Å; P109-R113 PolarHBondContact O-N 3.15Å; P109-R113 VanDerWaalsContact O-N 3.07Å; A110-R113 VanDerWaalsContact CB-NH2 3.31Å; A110-R113 WeakPolarHBondContact O-CA 3.47Å; A110-R113 WeakPolarHBondContact O-CB 3.32Å; A110-R113 PolarHBondContact O-N 3.45Å; R113-E115 VanDerWaalsContact C-N 3.27Å; R113-E115 PolarHBondContact O-N 3.02Å; R113-I116 WeakPolarHBondContact O-CB 3.46Å; R113-I116 PolarHBondContact O-N 2.88Å; R113-I116 VanDerWaalsContact O-N 3.09Å; R113-V117 PolarHBondContact O-N 3.05Å; R113-V117 VanDerWaalsContact O-N 3.13Å; R113-T213 PolarHBondContact NE-O 2.88Å; R113-T213 PolarHBondContact NH2-O 2.98Å; R113-G215 VanDerWaalsContact NE-CA 3.34Å
114	G	98.9	Very high	98.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57	-37.2	172.4	0	0	0	0	0	113.1	A110 P111 K112 I116 V117 R118	A110-G114 PolarHBondContact O-N 3.24Å; P111-G114 PolarHBondContact O-N 3.37Å; K112-G114 VanDerWaalsContact C-N 3.32Å; G114-I116 VanDerWaalsContact C-N 3.34Å; G114-I116 PolarHBondContact O-N 3.38Å; G114-V117 PolarHBondContact O-N 3.27Å; G114-R118 PolarHBondContact O-N 3.16Å
115	E	98.9	Very high	98.9	Very high	70 Å²	70	39.9 Å²	39.9	33%	0.327	20%	0.204	S	C	.	.	H	α-helix	trans	-63.9	-36.6	174.6	174.9	53.4	-150	0	0	112.8	P111 K112 R113 R118 Q119	P111-E115 PolarHBondContact O-N 2.82Å; K112-E115 WeakPolarHBondContact O-CB 3.13Å; K112-E115 PolarHBondContact O-N 3.25Å; R113-E115 VanDerWaalsContact C-N 3.27Å; R113-E115 PolarHBondContact O-N 3.02Å; E115-R118 VanDerWaalsContact CD-NE 3.32Å; E115-R118 WeakPolarHBondContact O-CB 3.3Å; E115-R118 PolarHBondContact O-N 3.08Å; E115-R118 IonicContact OE1-CZ 2.74Å; E115-R118 IonicContact OE1-NE 2.62Å; E115-R118 PolarHBondContact OE1-NE 2.92Å; E115-R118 VanDerWaalsContact OE1-NE 3.1Å; E115-R118 IonicContact OE1-NH2 2.63Å; E115-R118 PolarHBondContact OE1-NH2 2.84Å; E115-R118 WeakPolarHBondContact OE2-CD 3.4Å; E115-R118 IonicContact OE2-CZ 3.67Å; E115-R118 IonicContact OE2-NE 3.89Å; E115-R118 PolarHBondContact OE2-NE 3Å; E115-R118 IonicContact OE2-NH2 2.69Å; E115-Q119 WeakPolarHBondContact O-CG 3.34Å; E115-Q119 PolarHBondContact O-N 3.42Å; E115-Q119 VanDerWaalsContact O-N 3.1Å; E115-Q119 PolarHBondContact OE1-NE2 3.29Å
116	I	98.9	Very high	98.9	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.062	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-44.3	173.6	-56.3	-57.6	0	0	0	110.5	W105 K112 R113 G114 R118 Q119 I120 M212 V240 L241 N244 L246	W105-I116 HydrophobicContact CH2-CB 4.04Å; W105-I116 HydrophobicContact CH2-CG1 3.99Å; W105-I116 HydrophobicContact CH2-CG2 4.32Å; W105-I116 HydrophobicContact CZ3-CG1 4.1Å; K112-I116 PolarHBondContact O-N 2.98Å; R113-I116 WeakPolarHBondContact O-CB 3.46Å; R113-I116 PolarHBondContact O-N 2.88Å; R113-I116 VanDerWaalsContact O-N 3.09Å; G114-I116 VanDerWaalsContact C-N 3.34Å; G114-I116 PolarHBondContact O-N 3.38Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 2.7Å; I116-Q119 PolarHBondContact O-N 3.18Å; I116-Q119 VanDerWaalsContact O-N 3.17Å; I116-I120 HydrophobicContact CG2-CD1 4.42Å; I116-I120 WeakPolarHBondContact O-CG1 3.16Å; I116-I120 PolarHBondContact O-N 3.3Å; I116-M212 HydrophobicContact CG2-CE 3.98Å; I116-V240 HydrophobicContact CG2-CG1 4.34Å; I116-L241 HydrophobicContact CG2-CD2 3.95Å; I116-N244 HydrophobicContact CD1-CB 3.76Å; I116-N244 VanDerWaalsContact CD1-CG 3.44Å; I116-N244 WeakPolarHBondContact CD1-OD1 3.08Å; I116-L246 HydrophobicContact CD1-CD1 3.68Å; I116-L246 HydrophobicContact CG1-CD1 3.77Å; I116-L246 HydrophobicContact CG2-CD1 4.33Å
117	V	98.9	Very high	98.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.4	-38.2	176.7	177	0	0	0	0	111.4	R113 G114 Q119 I120 G121 C157 A160 A209 M212	R113-V117 PolarHBondContact O-N 3.05Å; R113-V117 VanDerWaalsContact O-N 3.13Å; G114-V117 PolarHBondContact O-N 3.27Å; V117-Q119 VanDerWaalsContact C-N 3.34Å; V117-Q119 PolarHBondContact O-N 3.5Å; V117-I120 WeakPolarHBondContact O-CB 3.41Å; V117-I120 PolarHBondContact O-N 3.31Å; V117-G121 PolarHBondContact O-N 3.35Å; V117-C157 HydrophobicContact CG1-CB 3.87Å; V117-A160 HydrophobicContact CG1-CB 3.98Å; V117-A209 HydrophobicContact CG1-CB 3.95Å; V117-M212 HydrophobicContact CG2-CB 3.82Å; V117-M212 HydrophobicContact CG2-SD 4.39Å
118	R	98.9	Very high	98.9	Very high	77 Å²	77	45 Å²	45	29%	0.291	22%	0.216	S	C	.	.	H	α-helix	trans	-57.4	-46.4	172.5	-165.8	-162.6	65.4	67.4	8.3	111.9	G114 E115 I116 I120 G121 D122 V161	G114-R118 PolarHBondContact O-N 3.16Å; E115-R118 VanDerWaalsContact CD-NE 3.32Å; E115-R118 WeakPolarHBondContact O-CB 3.3Å; E115-R118 PolarHBondContact O-N 3.08Å; E115-R118 IonicContact OE1-CZ 2.74Å; E115-R118 IonicContact OE1-NE 2.62Å; E115-R118 PolarHBondContact OE1-NE 2.92Å; E115-R118 VanDerWaalsContact OE1-NE 3.1Å; E115-R118 IonicContact OE1-NH2 2.63Å; E115-R118 PolarHBondContact OE1-NH2 2.84Å; E115-R118 WeakPolarHBondContact OE2-CD 3.4Å; E115-R118 IonicContact OE2-CZ 3.67Å; E115-R118 IonicContact OE2-NE 3.89Å; E115-R118 PolarHBondContact OE2-NE 3Å; E115-R118 IonicContact OE2-NH2 2.69Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 2.7Å; R118-I120 VanDerWaalsContact C-N 3.33Å; R118-G121 PolarHBondContact O-N 2.84Å; R118-D122 IonicContact CZ-OD2 3.77Å; R118-D122 IonicContact NH1-OD2 3.82Å; R118-D122 PolarHBondContact NH1-OD2 3Å; R118-D122 IonicContact NH2-OD2 2.63Å; R118-D122 PolarHBondContact O-N 3.22Å; R118-V161 HydrophobicContact CB-CG2 3.57Å; R118-V161 HydrophobicContact CG-CG2 3.96Å
119	Q	98.9	Very high	98.8	Very high	41 Å²	41	47.1 Å²	47.1	19%	0.192	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-33.7	179.2	-69.7	176.7	37.5	0	0	112.4	E115 I116 V117 D122 A123 V240 N244	E115-Q119 WeakPolarHBondContact O-CG 3.34Å; E115-Q119 PolarHBondContact O-N 3.42Å; E115-Q119 VanDerWaalsContact O-N 3.1Å; E115-Q119 PolarHBondContact OE1-NE2 3.29Å; I116-Q119 PolarHBondContact O-N 3.18Å; I116-Q119 VanDerWaalsContact O-N 3.17Å; V117-Q119 VanDerWaalsContact C-N 3.34Å; V117-Q119 PolarHBondContact O-N 3.5Å; Q119-D122 PolarHBondContact O-N 3.04Å; Q119-A123 WeakPolarHBondContact O-CB 3.44Å; Q119-A123 PolarHBondContact O-N 3.38Å; Q119-V240 HydrophobicContact CB-CG1 3.6Å; Q119-N244 PolarHBondContact OE1-ND2 3.14Å
120	I	98.9	Very high	98.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-47.4	169.7	-68.1	168.5	0	0	0	110	I116 V117 R118 D122 A123 L124 M212 V237 V240	I116-I120 HydrophobicContact CG2-CD1 4.42Å; I116-I120 WeakPolarHBondContact O-CG1 3.16Å; I116-I120 PolarHBondContact O-N 3.3Å; V117-I120 WeakPolarHBondContact O-CB 3.41Å; V117-I120 PolarHBondContact O-N 3.31Å; R118-I120 VanDerWaalsContact C-N 3.33Å; I120-D122 VanDerWaalsContact C-N 3.33Å; I120-D122 PolarHBondContact O-N 3Å; I120-A123 PolarHBondContact O-N 2.64Å; I120-A123 VanDerWaalsContact O-N 3.16Å; I120-L124 HydrophobicContact CG2-CD1 3.88Å; I120-L124 HydrophobicContact CG2-CG 4.42Å; I120-L124 WeakPolarHBondContact O-CG 3.37Å; I120-L124 PolarHBondContact O-N 2.73Å; I120-M212 HydrophobicContact CD1-CE 3.9Å; I120-M212 HydrophobicContact CD1-SD 3.76Å; I120-V237 HydrophobicContact CD1-CG1 3.95Å; I120-V237 HydrophobicContact CG1-CG1 4.45Å; I120-V237 HydrophobicContact CG2-CG2 3.99Å; I120-V240 HydrophobicContact CG1-CB 4.16Å; I120-V240 HydrophobicContact CG1-CG1 4.01Å; I120-V240 HydrophobicContact CG1-CG2 4.35Å
121	G	98.9	Very high	98.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-54.1	-46.9	173.8	0	0	0	0	0	112.6	V117 R118 A123 L124 R125	V117-G121 PolarHBondContact O-N 3.35Å; R118-G121 PolarHBondContact O-N 2.84Å; G121-A123 PolarHBondContact O-N 3.45Å; G121-L124 PolarHBondContact O-N 3.26Å; G121-R125 WeakPolarHBondContact O-CG 3.48Å; G121-R125 PolarHBondContact O-N 3.41Å
122	D	98.9	Very high	98.8	Very high	51 Å²	51	41.6 Å²	41.6	27%	0.273	19%	0.193	S	C	.	.	H	α-helix	trans	-64.9	-38.5	176.1	-78.3	-11.7	0	0	0	113.7	R118 Q119 I120 L124 R125 K126	R118-D122 IonicContact CZ-OD2 3.77Å; R118-D122 IonicContact NH1-OD2 3.82Å; R118-D122 PolarHBondContact NH1-OD2 3Å; R118-D122 IonicContact NH2-OD2 2.63Å; R118-D122 PolarHBondContact O-N 3.22Å; Q119-D122 PolarHBondContact O-N 3.04Å; I120-D122 VanDerWaalsContact C-N 3.33Å; I120-D122 PolarHBondContact O-N 3Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-R125 WeakPolarHBondContact O-CB 3.33Å; D122-R125 PolarHBondContact O-N 2.99Å; D122-R125 IonicContact OD1-CZ 2.68Å; D122-R125 IonicContact OD1-NH1 3.68Å; D122-R125 PolarHBondContact OD1-NH1 3.22Å; D122-K126 WeakPolarHBondContact O-CG 3.4Å; D122-K126 PolarHBondContact O-N 2.98Å; D122-K126 VanDerWaalsContact O-N 3.14Å
123	A	98.9	Very high	98.8	Very high	14 Å²	14	35.1 Å²	35.1	12%	0.116	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-39.5	177.6	0	0	0	0	0	111.1	Q119 I120 G121 K126 K127 I236 V240	Q119-A123 WeakPolarHBondContact O-CB 3.44Å; Q119-A123 PolarHBondContact O-N 3.38Å; I120-A123 PolarHBondContact O-N 2.64Å; I120-A123 VanDerWaalsContact O-N 3.16Å; G121-A123 PolarHBondContact O-N 3.45Å; A123-K126 PolarHBondContact O-N 2.89Å; A123-K127 PolarHBondContact O-N 3.19Å; A123-I236 HydrophobicContact CB-CG2 3.61Å; A123-V240 HydrophobicContact CB-CG2 3.67Å
124	L	98.9	Very high	98.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.4	-45	172.1	-69.8	163.9	0	0	0	111.5	I120 G121 D122 K126 K127 I128 L131 V150 Y153 V154 I236	I120-L124 HydrophobicContact CG2-CD1 3.88Å; I120-L124 HydrophobicContact CG2-CG 4.42Å; I120-L124 WeakPolarHBondContact O-CG 3.37Å; I120-L124 PolarHBondContact O-N 2.73Å; G121-L124 PolarHBondContact O-N 3.26Å; D122-L124 VanDerWaalsContact C-N 3.34Å; L124-K126 VanDerWaalsContact C-N 3.27Å; L124-K126 PolarHBondContact O-N 3.03Å; L124-K127 CarbonylContact O-C 3.59Å; L124-K127 PolarHBondContact O-N 3.32Å; L124-I128 PolarHBondContact O-N 2.66Å; L124-L131 HydrophobicContact CD2-CD2 4.02Å; L124-V150 HydrophobicContact CB-CG1 4.35Å; L124-V150 HydrophobicContact CD2-CG1 4.43Å; L124-Y153 HydrophobicContact CD1-CD1 3.4Å; L124-Y153 HydrophobicContact CD1-CD2 4.04Å; L124-Y153 HydrophobicContact CD1-CE1 3.65Å; L124-Y153 HydrophobicContact CD1-CE2 4.22Å; L124-Y153 HydrophobicContact CD1-CG 3.6Å; L124-Y153 HydrophobicContact CD2-CD1 4.13Å; L124-Y153 HydrophobicContact CD2-CE1 4.35Å; L124-Y153 HydrophobicContact CG-CD1 4.42Å; L124-V154 HydrophobicContact CB-CG2 3.67Å; L124-I236 HydrophobicContact CD2-CD1 4.26Å; L124-I236 HydrophobicContact CD2-CG2 4.17Å; L124-I236 HydrophobicContact CG-CG2 4.27Å
125	R	98.8	Very high	98.8	Very high	80 Å²	80	34.4 Å²	34.4	30%	0.302	16%	0.163	S	C	.	.	H	α-helix	trans	-53.5	-43.4	175.7	-75.1	175.1	-176.1	111.6	10.5	112.2	G121 D122 K127 I128 V154 D158	G121-R125 WeakPolarHBondContact O-CG 3.48Å; G121-R125 PolarHBondContact O-N 3.41Å; D122-R125 WeakPolarHBondContact O-CB 3.33Å; D122-R125 PolarHBondContact O-N 2.99Å; D122-R125 IonicContact OD1-CZ 2.68Å; D122-R125 IonicContact OD1-NH1 3.68Å; D122-R125 PolarHBondContact OD1-NH1 3.22Å; R125-K127 PolarHBondContact O-N 2.93Å; R125-I128 WeakPolarHBondContact O-CG2 3.39Å; R125-I128 PolarHBondContact O-N 2.8Å; R125-V154 HydrophobicContact CG-CB 4.4Å; R125-V154 HydrophobicContact CG-CG1 3.54Å; R125-V154 HydrophobicContact CG-CG2 3.88Å; R125-V154 VanDerWaalsContact CZ-CG1 3.4Å; R125-D158 IonicContact CZ-OD1 2.69Å; R125-D158 IonicContact CZ-OD2 3.98Å; R125-D158 IonicContact NH1-OD1 2.69Å; R125-D158 PolarHBondContact NH1-OD1 2.92Å; R125-D158 IonicContact NH2-OD1 3.1Å; R125-D158 PolarHBondContact NH2-OD1 3.26Å; R125-D158 IonicContact NH2-OD2 3.85Å; R125-D158 PolarHBondContact NH2-OD2 3.42Å
126	K	98.8	Very high	98.8	Very high	173 Å²	173	31.2 Å²	31.2	75%	0.752	15%	0.148	S	C	*	.	H	α-helix	trans	-63.8	-23.5	178.7	-68.7	170.3	-172.4	173.2	0	113.4	D122 A123 L124	D122-K126 WeakPolarHBondContact O-CG 3.4Å; D122-K126 PolarHBondContact O-N 2.98Å; D122-K126 VanDerWaalsContact O-N 3.14Å; A123-K126 PolarHBondContact O-N 2.89Å; L124-K126 VanDerWaalsContact C-N 3.27Å; L124-K126 PolarHBondContact O-N 3.03Å
127	K	98.6	Very high	98.8	Very high	68 Å²	68	31.4 Å²	31.4	30%	0.296	15%	0.149	S	C	.	.	H	α-helix	trans	-114.6	9.2	-176.4	-62.6	-66.5	-177.4	171	0	113.2	E47 L48 A123 L124 R125 T129 T130 L131 I236	E47-K127 PolarHBondContact O-NZ 3.36Å; L48-K127 HydrophobicContact CD2-CB 4.34Å; A123-K127 PolarHBondContact O-N 3.19Å; L124-K127 CarbonylContact O-C 3.59Å; L124-K127 PolarHBondContact O-N 3.32Å; R125-K127 PolarHBondContact O-N 2.93Å; K127-T129 PolarHBondContact O-N 2.95Å; K127-T130 PolarHBondContact O-N 2.64Å; K127-L131 WeakPolarHBondContact O-CB 3.39Å; K127-L131 PolarHBondContact O-N 2.87Å; K127-I236 HydrophobicContact CB-CD1 3.95Å; K127-I236 HydrophobicContact CG-CD1 4.19Å; K127-I236 HydrophobicContact CG-CG1 4.44Å
128	I	98.6	Very high	98.8	Very high	29 Å²	29	31.4 Å²	31.4	15%	0.149	15%	0.149	C	C	.	.	H	α-helix	trans	-56.8	-45.3	-168.2	-164.5	174.4	0	0	0	113.1	L124 R125 G132 V147 V150 Q151	L124-I128 PolarHBondContact O-N 2.66Å; R125-I128 WeakPolarHBondContact O-CG2 3.39Å; R125-I128 PolarHBondContact O-N 2.8Å; I128-G132 PolarHBondContact O-N 2.93Å; I128-V147 HydrophobicContact CD1-CG1 4.17Å; I128-V147 HydrophobicContact CG1-CG1 4.15Å; I128-V150 HydrophobicContact CB-CG1 4.33Å; I128-V150 HydrophobicContact CG1-CB 3.9Å; I128-V150 HydrophobicContact CG1-CG1 3.8Å; I128-Q151 HydrophobicContact CD1-CB 4.16Å
129	T	98.4	Very high	98.8	Very high	82 Å²	82	27.7 Å²	27.7	50%	0.503	14%	0.135	S	C	.	.	H	α-helix	trans	-66	-48.5	179.1	-57	0	0	0	0	111.5	K127 G132 S133 F143	K127-T129 PolarHBondContact O-N 2.95Å; T129-G132 PolarHBondContact O-N 2.91Å; T129-S133 WeakPolarHBondContact O-CB 3.35Å; T129-S133 PolarHBondContact O-N 2.94Å; T129-S133 PolarHBondContact O-OG 3.36Å; T129-F143 HydrophobicContact CG2-CE2 4.29Å; T129-F143 HydrophobicContact CG2-CZ 4.03Å
130	T	98.4	Very high	98.8	Very high	20 Å²	20	25.9 Å²	25.9	12%	0.123	13%	0.127	C	C	.	.	H	α-helix	trans	-68.8	-41.6	-176.3	-44.5	0	0	0	0	111	W44 E47 L48 K127 S133 L134	W44-T130 HydrophobicContact CE3-CG2 3.63Å; W44-T130 HydrophobicContact CZ3-CG2 4.23Å; W44-T130 WeakPolarHBondContact CZ3-O 3.3Å; W44-T130 WeakPolarHBondContact O-CG2 3.47Å; E47-T130 HydrophobicContact CB-CG2 4.16Å; E47-T130 PolarHBondContact OE2-OG1 3.44Å; L48-T130 HydrophobicContact CD1-CG2 4.02Å; L48-T130 HydrophobicContact CD2-CG2 4.04Å; L48-T130 HydrophobicContact CG-CG2 3.7Å; K127-T130 PolarHBondContact O-N 2.64Å; T130-S133 WeakPolarHBondContact O-CB 3.44Å; T130-S133 PolarHBondContact O-N 3.32Å; T130-L134 PolarHBondContact O-N 3Å
131	L	98.8	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.6	-40.7	176	-176	59.7	0	0	0	111.4	L48 L124 K127 S133 L134 V135 V150 V201 A232 V233 I236	L48-L131 HydrophobicContact CD2-CB 4.22Å; L124-L131 HydrophobicContact CD2-CD2 4.02Å; K127-L131 WeakPolarHBondContact O-CB 3.39Å; K127-L131 PolarHBondContact O-N 2.87Å; L131-S133 VanDerWaalsContact C-N 3.32Å; L131-S133 PolarHBondContact O-N 2.84Å; L131-L134 HydrophobicContact CD1-CD2 4.3Å; L131-L134 WeakPolarHBondContact O-CB 3.24Å; L131-L134 PolarHBondContact O-N 3.32Å; L131-L134 VanDerWaalsContact O-N 3.11Å; L131-V135 WeakPolarHBondContact O-CG2 3.06Å; L131-V135 PolarHBondContact O-N 3.05Å; L131-V150 HydrophobicContact CB-CG2 4.01Å; L131-V150 HydrophobicContact CD2-CG1 3.97Å; L131-V150 HydrophobicContact CD2-CG2 3.68Å; L131-V150 HydrophobicContact CG-CG2 3.65Å; L131-V201 HydrophobicContact CD2-CG1 4.43Å; L131-V201 HydrophobicContact CD2-CG2 4.46Å; L131-V201 HydrophobicContact CG-CG2 4.49Å; L131-A232 HydrophobicContact CD1-CB 4.09Å; L131-V233 HydrophobicContact CD1-CG2 4.15Å; L131-V233 HydrophobicContact CD2-CG2 3.96Å; L131-I236 HydrophobicContact CD2-CD1 4.11Å
132	G	98.7	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-39	173.1	0	0	0	0	0	112.9	I128 T129 V135 S136 G146	I128-G132 PolarHBondContact O-N 2.93Å; T129-G132 PolarHBondContact O-N 2.91Å; G132-V135 PolarHBondContact O-N 2.98Å; G132-S136 PolarHBondContact O-N 3.25Å; G132-G146 VanDerWaalsContact CA-C 3.49Å
133	S	98.7	Very high	98.7	Very high	6 Å²	6	27.1 Å²	27.1	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-62.4	-40.7	171.3	-63.2	0	0	0	0	112.1	W44 T129 T130 L131 S136 L137 F143 W366	W44-S133 VanDerWaalsContact CH2-C 3.47Å; T129-S133 WeakPolarHBondContact O-CB 3.35Å; T129-S133 PolarHBondContact O-N 2.94Å; T129-S133 PolarHBondContact O-OG 3.36Å; T130-S133 WeakPolarHBondContact O-CB 3.44Å; T130-S133 PolarHBondContact O-N 3.32Å; L131-S133 VanDerWaalsContact C-N 3.32Å; L131-S133 PolarHBondContact O-N 2.84Å; S133-S136 PolarHBondContact O-N 2.89Å; S133-L137 WeakPolarHBondContact O-CB 3.41Å; S133-L137 PolarHBondContact O-N 3.33Å; S133-F143 WeakPolarHBondContact OG-CE2 3.49Å; S133-W366 PolarHBondContact OG-NE1 3.18Å
134	L	98.9	Very high	98.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.9	-44.2	175.6	174.3	61.8	0	0	0	111.7	W44 L45 L48 L50 T130 L131 S136 L137 E138 L228 A232	W44-L134 HydrophobicContact CH2-CB 4.38Å; W44-L134 HydrophobicContact CZ3-CB 4.14Å; L45-L134 HydrophobicContact CD2-CD1 3.73Å; L48-L134 HydrophobicContact CD1-CB 3.75Å; L48-L134 HydrophobicContact CD1-CD2 3.61Å; L48-L134 HydrophobicContact CD1-CG 4.3Å; L50-L134 HydrophobicContact CD1-CD1 4.3Å; L50-L134 HydrophobicContact CD1-CD2 3.87Å; T130-L134 PolarHBondContact O-N 3Å; L131-L134 HydrophobicContact CD1-CD2 4.3Å; L131-L134 WeakPolarHBondContact O-CB 3.24Å; L131-L134 PolarHBondContact O-N 3.32Å; L131-L134 VanDerWaalsContact O-N 3.11Å; L134-S136 VanDerWaalsContact C-N 3.26Å; L134-S136 PolarHBondContact O-N 2.96Å; L134-L137 PolarHBondContact O-N 3.18Å; L134-E138 HydrophobicContact CD1-CB 4.25Å; L134-E138 WeakPolarHBondContact O-CB 3.46Å; L134-E138 PolarHBondContact O-N 3.26Å; L134-L228 HydrophobicContact CD1-CB 4.24Å; L134-A232 HydrophobicContact CD2-CB 3.63Å
135	V	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-59	-42.7	175.1	175.5	0	0	0	0	110.1	L131 G132 M139 G140 K141 P200 V201 T229	L131-V135 WeakPolarHBondContact O-CG2 3.06Å; L131-V135 PolarHBondContact O-N 3.05Å; G132-V135 PolarHBondContact O-N 2.98Å; V135-M139 HydrophobicContact CG1-CB 4.33Å; V135-M139 WeakPolarHBondContact O-CA 3.17Å; V135-M139 WeakPolarHBondContact O-CB 3.14Å; V135-M139 PolarHBondContact O-N 2.88Å; V135-G140 PolarHBondContact O-N 3.38Å; V135-K141 HydrophobicContact CG1-CD 3.69Å; V135-K141 HydrophobicContact CG1-CG 3.88Å; V135-P200 HydrophobicContact CG1-CG 4.14Å; V135-P200 HydrophobicContact CG2-CG 4.35Å; V135-V201 HydrophobicContact CG2-CG2 3.61Å; V135-T229 HydrophobicContact CG2-CG2 4.02Å
136	S	98.8	Very high	98.6	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-43.8	176.5	-171.1	0	0	0	0	112.4	G132 S133 L134 G140 K141 F143 P365	G132-S136 PolarHBondContact O-N 3.25Å; S133-S136 PolarHBondContact O-N 2.89Å; L134-S136 VanDerWaalsContact C-N 3.26Å; L134-S136 PolarHBondContact O-N 2.96Å; S136-G140 WeakPolarHBondContact O-CA 3.29Å; S136-G140 PolarHBondContact O-N 3.21Å; S136-K141 WeakPolarHBondContact CA-O 3.4Å; S136-K141 VanDerWaalsContact CB-O 3.23Å; S136-K141 WeakPolarHBondContact CB-O 3.47Å; S136-K141 PolarHBondContact OG-O 2.89Å; S136-F143 PolarHBondContact OG-N 3.34Å; S136-P365 VanDerWaalsContact OG-CB 3.29Å; S136-P365 WeakPolarHBondContact OG-CB 3.23Å; S136-P365 PolarHBondContact OG-O 3.01Å
137	L	98.8	Very high	98.6	Very high	16 Å²	16	22.1 Å²	22.1	8%	0.084	12%	0.12	C	C	.	.	H	α-helix	trans	-68.8	-44.1	-179.4	-177.3	67.6	0	0	0	113.2	L36 Y42 W44 L45 C73 P74 I80 S133 L134	L36-L137 HydrophobicContact CD1-CD1 4.04Å; Y42-L137 HydrophobicContact CD1-CD1 4.43Å; Y42-L137 HydrophobicContact CD1-CD2 4.19Å; Y42-L137 HydrophobicContact CE1-CD1 3.88Å; Y42-L137 HydrophobicContact CE1-CD2 4.45Å; W44-L137 HydrophobicContact CH2-CB 4.43Å; W44-L137 HydrophobicContact CH2-CD2 4.13Å; W44-L137 HydrophobicContact CZ2-CD2 4.05Å; L45-L137 HydrophobicContact CD1-CD2 4.16Å; L45-L137 HydrophobicContact CD2-CD2 4.18Å; C73-L137 WeakPolarHBondContact CA-O 3.15Å; C73-L137 HydrophobicContact CB-CD1 4Å; C73-L137 HydrophobicContact CB-CG 4.5Å; C73-L137 WeakPolarHBondContact CB-O 3.49Å; C73-L137 PolarHBondContact SG-O 3.22Å; P74-L137 WeakPolarHBondContact CD-O 3.37Å; I80-L137 HydrophobicContact CD1-CD2 4.38Å; I80-L137 HydrophobicContact CD1-CG 4.03Å; I80-L137 HydrophobicContact CG1-CD2 4.42Å; I80-L137 HydrophobicContact CG1-CG 4.35Å; I80-L137 HydrophobicContact CG2-CD2 4.04Å; S133-L137 WeakPolarHBondContact O-CB 3.41Å; S133-L137 PolarHBondContact O-N 3.33Å; L134-L137 PolarHBondContact O-N 3.18Å
138	E	98.9	Very high	98.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-89.5	-42.3	-172.9	-171.1	176.2	-137.6	0	0	112.4	S71 I80 L134 T226 P227 L228 T229 H376	S71-E138 VanDerWaalsContact CB-OE1 3.3Å; S71-E138 WeakPolarHBondContact CB-OE1 3.3Å; S71-E138 VanDerWaalsContact OG-CG 3.26Å; S71-E138 WeakPolarHBondContact OG-CG 3.48Å; S71-E138 PolarHBondContact OG-OE1 3.25Å; I80-E138 HydrophobicContact CD1-CB 3.97Å; I80-E138 HydrophobicContact CD1-CG 4.12Å; L134-E138 HydrophobicContact CD1-CB 4.25Å; L134-E138 WeakPolarHBondContact O-CB 3.46Å; L134-E138 PolarHBondContact O-N 3.26Å; E138-T226 VanDerWaalsContact CD-CA 3.46Å; E138-T226 WeakPolarHBondContact OE2-CA 3.37Å; E138-P227 VanDerWaalsContact OE1-CD 3.26Å; E138-P227 WeakPolarHBondContact OE1-CD 3.28Å; E138-L228 WeakPolarHBondContact OE1-CB 3.44Å; E138-L228 VanDerWaalsContact OE1-CG 3.29Å; E138-L228 WeakPolarHBondContact OE1-CG 3.36Å; E138-L228 PolarHBondContact OE1-N 3.35Å; E138-L228 PolarHBondContact OE2-N 2.76Å; E138-T229 VanDerWaalsContact OE2-CB 3.27Å; E138-T229 WeakPolarHBondContact OE2-CB 3.44Å; E138-T229 PolarHBondContact OE2-N 2.92Å; E138-T229 PolarHBondContact OE2-OG1 3.33Å; E138-H376 PolarHBondContact O-CE1 2.91Å
139	M	98.8	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-86.1	-39.3	180	-175.8	-80.1	166.7	0	0	111.9	V135 K141 F197 N198 P200 T226 T328 Q331 H376	V135-M139 HydrophobicContact CG1-CB 4.33Å; V135-M139 WeakPolarHBondContact O-CA 3.17Å; V135-M139 WeakPolarHBondContact O-CB 3.14Å; V135-M139 PolarHBondContact O-N 2.88Å; M139-K141 HydrophobicContact SD-CB 3.75Å; M139-K141 HydrophobicContact SD-CD 4.42Å; M139-K141 VanDerWaalsContact SD-CE 3.54Å; M139-K141 HydrophobicContact SD-CG 4.03Å; M139-K141 PolarHBondContact SD-N 3.21Å; M139-F197 HydrophobicContact CE-CD2 3.96Å; M139-F197 HydrophobicContact CE-CE2 3.76Å; M139-F197 HydrophobicContact CG-CD2 4.41Å; M139-F197 WeakPolarHBondContact CG-O 3.26Å; M139-N198 HydrophobicContact CE-CB 3.8Å; M139-P200 HydrophobicContact CB-CG 4.36Å; M139-T226 HydrophobicContact CB-CG2 4.29Å; M139-T328 HydrophobicContact CE-CG2 3.9Å; M139-T328 HydrophobicContact SD-CG2 4.5Å; M139-Q331 HydrophobicContact CE-CB 4.36Å; M139-H376 PolarHBondContact O-ND1 2.76Å
140	G	98.6	Very high	98.7	Very high	2 Å²	2	15.3 Å²	15.3	2%	0.021	9%	0.092	C	C	.	.			trans	103.4	1.4	178.3	0	0	0	0	0	115.7	V135 S136 P365	V135-G140 PolarHBondContact O-N 3.38Å; S136-G140 WeakPolarHBondContact O-CA 3.29Å; S136-G140 PolarHBondContact O-N 3.21Å; G140-P365 VanDerWaalsContact O-CG 3.23Å; G140-P365 WeakPolarHBondContact O-CG 3.49Å
141	K	98.8	Very high	98.7	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.013	10%	0.101	C	C	.	.			trans	-72.6	156.2	172.6	68.9	179.4	66.1	-173.3	0	111.6	V135 S136 M139 E145 E149 N198 T328 P365	V135-K141 HydrophobicContact CG1-CD 3.69Å; V135-K141 HydrophobicContact CG1-CG 3.88Å; S136-K141 WeakPolarHBondContact CA-O 3.4Å; S136-K141 VanDerWaalsContact CB-O 3.23Å; S136-K141 WeakPolarHBondContact CB-O 3.47Å; S136-K141 PolarHBondContact OG-O 2.89Å; M139-K141 HydrophobicContact SD-CB 3.75Å; M139-K141 HydrophobicContact SD-CD 4.42Å; M139-K141 VanDerWaalsContact SD-CE 3.54Å; M139-K141 HydrophobicContact SD-CG 4.03Å; M139-K141 PolarHBondContact SD-N 3.21Å; K141-E145 HydrophobicContact CB-CB 4.36Å; K141-E145 HydrophobicContact CD-CB 3.85Å; K141-E145 HydrophobicContact CG-CB 4.22Å; K141-E149 WeakPolarHBondContact CE-OE2 3.43Å; K141-E149 IonicContact NZ-OE2 2.85Å; K141-E149 PolarHBondContact NZ-OE2 3.22Å; K141-N198 WeakPolarHBondContact CE-O 3.3Å; K141-N198 PolarHBondContact NZ-O 3.48Å; K141-T328 HydrophobicContact CB-CG2 3.91Å; K141-P365 VanDerWaalsContact O-CB 3.3Å; K141-P365 WeakPolarHBondContact O-CB 3.16Å
142	I	98.7	Very high	98.7	Very high	16 Å²	16	20.6 Å²	20.6	8%	0.082	12%	0.115	C	C	.	.			trans	-63.4	148.1	-179.4	63.4	174.9	0	0	0	111	V144 E145 G146 P365 T370	I142-V144 VanDerWaalsContact C-N 3.27Å; I142-V144 HydrophobicContact CD1-CG1 3.58Å; I142-V144 HydrophobicContact CG1-CG1 3.86Å; I142-V144 PolarHBondContact O-N 3.47Å; I142-V144 VanDerWaalsContact O-N 3.14Å; I142-E145 HydrophobicContact CD1-CG 4.14Å; I142-E145 HydrophobicContact CG1-CB 4.07Å; I142-E145 HydrophobicContact CG1-CG 3.64Å; I142-E145 WeakPolarHBondContact O-CA 3.31Å; I142-E145 WeakPolarHBondContact O-CB 3.23Å; I142-E145 PolarHBondContact O-N 3.28Å; I142-G146 PolarHBondContact O-N 3.09Å; I142-P365 CarbonylContact C-O 3.59Å; I142-P365 WeakPolarHBondContact CA-O 3.33Å; I142-T370 HydrophobicContact CG2-CG2 3.9Å
143	F	98.3	Very high	98.7	Very high	58 Å²	58	20.6 Å²	20.6	25%	0.254	12%	0.115	S	C	.	.	H	α-helix	trans	-48.8	-44.8	-174.4	169.8	-105.4	0	0	0	113.8	T129 S133 S136 E145 G146 V147 P365 W366	T129-F143 HydrophobicContact CG2-CE2 4.29Å; T129-F143 HydrophobicContact CG2-CZ 4.03Å; S133-F143 WeakPolarHBondContact OG-CE2 3.49Å; S136-F143 PolarHBondContact OG-N 3.34Å; F143-E145 VanDerWaalsContact C-N 3.3Å; F143-E145 PolarHBondContact O-N 3.01Å; F143-G146 WeakPolarHBondContact O-CA 3.49Å; F143-G146 PolarHBondContact O-N 2.62Å; F143-G146 VanDerWaalsContact O-N 3.09Å; F143-V147 HydrophobicContact CD2-CG2 4.19Å; F143-V147 HydrophobicContact CE1-CG2 3.97Å; F143-V147 HydrophobicContact CE2-CG2 3.6Å; F143-V147 HydrophobicContact CZ-CG2 3.47Å; F143-V147 VanDerWaalsContact CZ-CG2 3.47Å; F143-V147 PolarHBondContact O-N 3.43Å; F143-P365 PolarHBondContact N-O 2.99Å; F143-W366 AromaticContact CD2-CD1 3.96Å
144	V	98.2	Very high	98.7	Very high	98 Å²	98	20.3 Å²	20.3	59%	0.594	11%	0.113	S	C	*	.	H	α-helix	trans	-64.1	-32.8	179.6	66	0	0	0	0	112.9	I142 G148	I142-V144 VanDerWaalsContact C-N 3.27Å; I142-V144 HydrophobicContact CD1-CG1 3.58Å; I142-V144 HydrophobicContact CG1-CG1 3.86Å; I142-V144 PolarHBondContact O-N 3.47Å; I142-V144 VanDerWaalsContact O-N 3.14Å; V144-G148 PolarHBondContact O-N 2.94Å
145	E	98.4	Very high	98.7	Very high	30 Å²	30	23.4 Å²	23.4	14%	0.14	13%	0.129	C	C	.	.	H	α-helix	trans	-74.4	-33.9	173.2	-68.6	-177.4	-180	0	0	111.6	K141 I142 F143 G148 E149 T328 R332	K141-E145 HydrophobicContact CB-CB 4.36Å; K141-E145 HydrophobicContact CD-CB 3.85Å; K141-E145 HydrophobicContact CG-CB 4.22Å; I142-E145 HydrophobicContact CD1-CG 4.14Å; I142-E145 HydrophobicContact CG1-CB 4.07Å; I142-E145 HydrophobicContact CG1-CG 3.64Å; I142-E145 WeakPolarHBondContact O-CA 3.31Å; I142-E145 WeakPolarHBondContact O-CB 3.23Å; I142-E145 PolarHBondContact O-N 3.28Å; F143-E145 VanDerWaalsContact C-N 3.3Å; F143-E145 PolarHBondContact O-N 3.01Å; E145-G148 PolarHBondContact O-N 3.48Å; E145-E149 WeakPolarHBondContact O-CB 3.3Å; E145-E149 PolarHBondContact O-N 2.82Å; E145-T328 VanDerWaalsContact CD-OG1 3.31Å; E145-T328 PolarHBondContact OE1-N 2.92Å; E145-T328 PolarHBondContact OE1-OG1 2.84Å; E145-T328 WeakPolarHBondContact OE2-CB 3.32Å; E145-T328 PolarHBondContact OE2-OG1 3.01Å; E145-R332 IonicContact OE1-CZ 3.76Å; E145-R332 IonicContact OE1-NH2 2.77Å; E145-R332 PolarHBondContact OE1-NH2 2.9Å
146	G	98.5	Very high	98.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-45.4	172.1	0	0	0	0	0	111.9	G132 I142 F143 E149 V150	G132-G146 VanDerWaalsContact CA-C 3.49Å; I142-G146 PolarHBondContact O-N 3.09Å; F143-G146 WeakPolarHBondContact O-CA 3.49Å; F143-G146 PolarHBondContact O-N 2.62Å; F143-G146 VanDerWaalsContact O-N 3.09Å; G146-E149 PolarHBondContact O-N 3.41Å; G146-V150 WeakPolarHBondContact O-CG2 3.27Å; G146-V150 PolarHBondContact O-N 2.9Å
147	V	98.7	Very high	98.7	Very high	34 Å²	34	23.3 Å²	23.3	21%	0.206	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-46.4	173.6	170.2	0	0	0	0	111.1	I128 F143 E149 V150 Q151	I128-V147 HydrophobicContact CD1-CG1 4.17Å; I128-V147 HydrophobicContact CG1-CG1 4.15Å; F143-V147 HydrophobicContact CD2-CG2 4.19Å; F143-V147 HydrophobicContact CE1-CG2 3.97Å; F143-V147 HydrophobicContact CE2-CG2 3.6Å; F143-V147 HydrophobicContact CZ-CG2 3.47Å; F143-V147 VanDerWaalsContact CZ-CG2 3.47Å; F143-V147 PolarHBondContact O-N 3.43Å; V147-E149 VanDerWaalsContact C-N 3.27Å; V147-E149 PolarHBondContact O-N 2.99Å; V147-V150 PolarHBondContact O-N 2.89Å; V147-V150 VanDerWaalsContact O-N 3.16Å; V147-Q151 PolarHBondContact O-N 2.88Å
148	G	98.4	Very high	98.7	Very high	32 Å²	32	25.8 Å²	25.8	33%	0.33	14%	0.142	S	C	.	.	H	α-helix	trans	-58.9	-38.2	177	0	0	0	0	0	112.5	V144 E145 V150 Q151 E152	V144-G148 PolarHBondContact O-N 2.94Å; E145-G148 PolarHBondContact O-N 3.48Å; G148-V150 PolarHBondContact O-N 2.83Å; G148-Q151 WeakPolarHBondContact O-CA 3.39Å; G148-Q151 WeakPolarHBondContact O-CB 3.44Å; G148-Q151 PolarHBondContact O-N 3Å; G148-Q151 VanDerWaalsContact O-N 3.16Å; G148-E152 WeakPolarHBondContact O-CG 3.22Å; G148-E152 PolarHBondContact O-N 2.72Å
149	E	98.8	Very high	98.7	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.023	16%	0.155	C	C	.	.	H	α-helix	trans	-65.2	-38.6	176	-170.3	-178.8	159.9	0	0	113	K141 E145 G146 V147 Q151 E152 Y153 F199 P200 V201 A202	K141-E149 WeakPolarHBondContact CE-OE2 3.43Å; K141-E149 IonicContact NZ-OE2 2.85Å; K141-E149 PolarHBondContact NZ-OE2 3.22Å; E145-E149 WeakPolarHBondContact O-CB 3.3Å; E145-E149 PolarHBondContact O-N 2.82Å; G146-E149 PolarHBondContact O-N 3.41Å; V147-E149 VanDerWaalsContact C-N 3.27Å; V147-E149 PolarHBondContact O-N 2.99Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; E149-E152 PolarHBondContact O-N 3.15Å; E149-Y153 PolarHBondContact O-N 3.1Å; E149-F199 HydrophobicContact CG-CD1 4.06Å; E149-F199 WeakPolarHBondContact OE1-CA 3.22Å; E149-P200 VanDerWaalsContact OE1-CD 3.23Å; E149-P200 WeakPolarHBondContact OE1-CD 3.47Å; E149-V201 HydrophobicContact CG-CB 4.17Å; E149-V201 WeakPolarHBondContact OE1-CA 3.4Å; E149-V201 PolarHBondContact OE1-N 2.81Å; E149-A202 HydrophobicContact CG-CB 3.42Å; E149-A202 VanDerWaalsContact CG-CB 3.42Å; E149-A202 PolarHBondContact OE1-N 3.43Å
150	V	98.9	Very high	98.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.3	-36.8	173.2	-177.3	0	0	0	0	110.3	L124 I128 L131 G146 V147 G148 E152 Y153 V154 V201	L124-V150 HydrophobicContact CB-CG1 4.35Å; L124-V150 HydrophobicContact CD2-CG1 4.43Å; I128-V150 HydrophobicContact CB-CG1 4.33Å; I128-V150 HydrophobicContact CG1-CB 3.9Å; I128-V150 HydrophobicContact CG1-CG1 3.8Å; L131-V150 HydrophobicContact CB-CG2 4.01Å; L131-V150 HydrophobicContact CD2-CG1 3.97Å; L131-V150 HydrophobicContact CD2-CG2 3.68Å; L131-V150 HydrophobicContact CG-CG2 3.65Å; G146-V150 WeakPolarHBondContact O-CG2 3.27Å; G146-V150 PolarHBondContact O-N 2.9Å; V147-V150 PolarHBondContact O-N 2.89Å; V147-V150 VanDerWaalsContact O-N 3.16Å; G148-V150 PolarHBondContact O-N 2.83Å; V150-E152 PolarHBondContact O-N 3.02Å; V150-Y153 PolarHBondContact O-N 2.97Å; V150-Y153 VanDerWaalsContact O-N 3.16Å; V150-V154 WeakPolarHBondContact O-CG2 3.31Å; V150-V154 PolarHBondContact O-N 3.46Å; V150-V201 HydrophobicContact CG2-CG1 4.36Å
151	Q	98.9	Very high	98.7	Very high	66 Å²	66	30.7 Å²	30.7	31%	0.308	16%	0.164	S	C	.	.	H	α-helix	trans	-61.5	-41	175.3	-169.9	62	55.8	0	0	112	I128 V147 G148 E149 Y153 V154 D155	I128-Q151 HydrophobicContact CD1-CB 4.16Å; V147-Q151 PolarHBondContact O-N 2.88Å; G148-Q151 WeakPolarHBondContact O-CA 3.39Å; G148-Q151 WeakPolarHBondContact O-CB 3.44Å; G148-Q151 PolarHBondContact O-N 3Å; G148-Q151 VanDerWaalsContact O-N 3.16Å; E149-Q151 VanDerWaalsContact C-N 3.31Å; Q151-Y153 PolarHBondContact O-N 2.77Å; Q151-V154 WeakPolarHBondContact O-CA 3.22Å; Q151-V154 WeakPolarHBondContact O-CB 3.26Å; Q151-V154 PolarHBondContact O-N 3.08Å; Q151-D155 PolarHBondContact NE2-OD1 3.22Å; Q151-D155 PolarHBondContact NE2-OD2 2.66Å; Q151-D155 WeakPolarHBondContact O-CB 3.1Å; Q151-D155 VanDerWaalsContact O-CG 3.29Å; Q151-D155 PolarHBondContact O-N 3.12Å
152	E	98.8	Very high	98.7	Very high	65 Å²	65	32 Å²	32	30%	0.304	18%	0.179	S	C	.	.	H	α-helix	trans	-56.6	-38.9	173.8	-71.1	-80.6	-177.3	0	0	111.9	G148 E149 V150 V156 A202 W206 I495	G148-E152 WeakPolarHBondContact O-CG 3.22Å; G148-E152 PolarHBondContact O-N 2.72Å; E149-E152 PolarHBondContact O-N 3.15Å; V150-E152 PolarHBondContact O-N 3.02Å; E152-V156 WeakPolarHBondContact O-CG1 3.21Å; E152-V156 PolarHBondContact O-N 3.39Å; E152-A202 HydrophobicContact CB-CB 4.19Å; E152-W206 HydrophobicContact CB-CZ2 4.49Å; E152-I495 WeakPolarHBondContact OE2-CD1 3.49Å; E152-I495 WeakPolarHBondContact OE2-CG1 3.28Å
153	Y	98.9	Very high	98.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.3	-39.6	175.1	-169	-174.8	0	0	0	111.9	L124 E149 V150 Q151 D155 V156 C157 V201 Y204 G205 N208 A209 V233	L124-Y153 HydrophobicContact CD1-CD1 3.4Å; L124-Y153 HydrophobicContact CD1-CD2 4.04Å; L124-Y153 HydrophobicContact CD1-CE1 3.65Å; L124-Y153 HydrophobicContact CD1-CE2 4.22Å; L124-Y153 HydrophobicContact CD1-CG 3.6Å; L124-Y153 HydrophobicContact CD2-CD1 4.13Å; L124-Y153 HydrophobicContact CD2-CE1 4.35Å; L124-Y153 HydrophobicContact CG-CD1 4.42Å; E149-Y153 PolarHBondContact O-N 3.1Å; V150-Y153 PolarHBondContact O-N 2.97Å; V150-Y153 VanDerWaalsContact O-N 3.16Å; Q151-Y153 PolarHBondContact O-N 2.77Å; Y153-D155 VanDerWaalsContact C-N 3.32Å; Y153-D155 PolarHBondContact O-N 3.19Å; Y153-V156 HydrophobicContact CD2-CG1 3.87Å; Y153-V156 VanDerWaalsContact O-CG1 3.32Å; Y153-V156 WeakPolarHBondContact O-CG1 3.45Å; Y153-C157 VanDerWaalsContact CE2-SG 3.55Å; Y153-C157 PolarHBondContact O-N 3.02Å; Y153-C157 PolarHBondContact O-SG 2.98Å; Y153-V201 HydrophobicContact CD1-CG1 3.85Å; Y153-Y204 HydrophobicContact CE1-CD1 4.11Å; Y153-Y204 HydrophobicContact CE1-CE1 4.21Å; Y153-G205 WeakPolarHBondContact CE2-O 3.28Å; Y153-G205 VanDerWaalsContact CG-CA 3.48Å; Y153-G205 VanDerWaalsContact CZ-CA 3.43Å; Y153-N208 VanDerWaalsContact OH-CG 3.31Å; Y153-N208 PolarHBondContact OH-OD1 3.4Å; Y153-A209 HydrophobicContact CE2-CB 4.45Å; Y153-V233 HydrophobicContact CE1-CG1 4.14Å
154	V	98.9	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.2	-46.5	173.7	168.3	0	0	0	0	111.1	L124 R125 V150 Q151 C157 D158	L124-V154 HydrophobicContact CB-CG2 3.67Å; R125-V154 HydrophobicContact CG-CB 4.4Å; R125-V154 HydrophobicContact CG-CG1 3.54Å; R125-V154 HydrophobicContact CG-CG2 3.88Å; R125-V154 VanDerWaalsContact CZ-CG1 3.4Å; V150-V154 WeakPolarHBondContact O-CG2 3.31Å; V150-V154 PolarHBondContact O-N 3.46Å; Q151-V154 WeakPolarHBondContact O-CA 3.22Å; Q151-V154 WeakPolarHBondContact O-CB 3.26Å; Q151-V154 PolarHBondContact O-N 3.08Å; V154-C157 WeakPolarHBondContact O-CB 3.35Å; V154-C157 PolarHBondContact O-N 3.39Å; V154-D158 PolarHBondContact O-N 3.35Å
155	D	98.9	Very high	98.8	Very high	64 Å²	64	33.4 Å²	33.4	34%	0.342	17%	0.172	S	C	.	.	H	α-helix	trans	-73.5	-36	-174.4	-67.2	-16.3	0	0	0	111.7	Q151 Y153 C157 D158 Y159 I495	Q151-D155 PolarHBondContact NE2-OD1 3.22Å; Q151-D155 PolarHBondContact NE2-OD2 2.66Å; Q151-D155 WeakPolarHBondContact O-CB 3.1Å; Q151-D155 VanDerWaalsContact O-CG 3.29Å; Q151-D155 PolarHBondContact O-N 3.12Å; Y153-D155 VanDerWaalsContact C-N 3.32Å; Y153-D155 PolarHBondContact O-N 3.19Å; D155-C157 VanDerWaalsContact C-N 3.27Å; D155-C157 PolarHBondContact O-N 2.9Å; D155-D158 PolarHBondContact O-N 3.06Å; D155-Y159 PolarHBondContact O-N 2.84Å; D155-I495 HydrophobicContact CB-CD1 3.27Å
156	V	98.9	Very high	98.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.2	-28.2	173	75.6	0	0	0	0	111.7	E152 Y153 Y159 A160 A209 I210 I495	E152-V156 WeakPolarHBondContact O-CG1 3.21Å; E152-V156 PolarHBondContact O-N 3.39Å; Y153-V156 HydrophobicContact CD2-CG1 3.87Å; Y153-V156 VanDerWaalsContact O-CG1 3.32Å; Y153-V156 WeakPolarHBondContact O-CG1 3.45Å; V156-Y159 PolarHBondContact O-N 2.93Å; V156-A160 WeakPolarHBondContact O-CB 3.3Å; V156-A160 PolarHBondContact O-N 3.17Å; V156-A209 HydrophobicContact CG1-CB 4Å; V156-A209 HydrophobicContact CG2-CB 4.41Å; V156-I210 HydrophobicContact CG2-CD1 4.46Å; V156-I495 HydrophobicContact CB-CD1 4.41Å; V156-I495 HydrophobicContact CB-CG1 4.5Å; V156-I495 HydrophobicContact CB-CG2 4.22Å; V156-I495 HydrophobicContact CG2-CG2 4.2Å
157	C	98.9	Very high	98.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-48.6	171	-71.2	0	0	0	0	110.3	V117 Y153 V154 D155 Y159 A160 V161	V117-C157 HydrophobicContact CG1-CB 3.87Å; Y153-C157 VanDerWaalsContact CE2-SG 3.55Å; Y153-C157 PolarHBondContact O-N 3.02Å; Y153-C157 PolarHBondContact O-SG 2.98Å; V154-C157 WeakPolarHBondContact O-CB 3.35Å; V154-C157 PolarHBondContact O-N 3.39Å; D155-C157 VanDerWaalsContact C-N 3.27Å; D155-C157 PolarHBondContact O-N 2.9Å; C157-Y159 PolarHBondContact O-N 2.67Å; C157-A160 WeakPolarHBondContact O-CB 3.29Å; C157-A160 PolarHBondContact O-N 2.93Å; C157-V161 WeakPolarHBondContact O-CG2 3.44Å; C157-V161 PolarHBondContact O-N 2.82Å
158	D	98.9	Very high	98.8	Very high	69 Å²	69	40.6 Å²	40.6	37%	0.369	22%	0.216	S	C	.	.	H	α-helix	trans	-61.5	-44	177.4	-73.9	-3.5	0	0	0	112.2	R125 V154 D155 A160 V161 G162	R125-D158 IonicContact CZ-OD1 2.69Å; R125-D158 IonicContact CZ-OD2 3.98Å; R125-D158 IonicContact NH1-OD1 2.69Å; R125-D158 PolarHBondContact NH1-OD1 2.92Å; R125-D158 IonicContact NH2-OD1 3.1Å; R125-D158 PolarHBondContact NH2-OD1 3.26Å; R125-D158 IonicContact NH2-OD2 3.85Å; R125-D158 PolarHBondContact NH2-OD2 3.42Å; V154-D158 PolarHBondContact O-N 3.35Å; D155-D158 PolarHBondContact O-N 3.06Å; D158-A160 VanDerWaalsContact C-N 3.29Å; D158-A160 PolarHBondContact O-N 3.44Å; D158-V161 WeakPolarHBondContact O-CB 3.49Å; D158-V161 PolarHBondContact O-N 3.41Å; D158-V161 VanDerWaalsContact O-N 3.15Å; D158-G162 PolarHBondContact O-N 3.24Å
159	Y	98.9	Very high	98.8	Very high	70 Å²	70	40.5 Å²	40.5	28%	0.275	22%	0.215	S	C	.	.	H	α-helix	trans	-56.4	-45.6	173.7	175.4	-101	0	0	0	111.3	D155 V156 C157 V161 G162 L163 I210 I495 S513	D155-Y159 PolarHBondContact O-N 2.84Å; V156-Y159 PolarHBondContact O-N 2.93Å; C157-Y159 PolarHBondContact O-N 2.67Å; Y159-V161 VanDerWaalsContact C-N 3.28Å; Y159-V161 PolarHBondContact O-N 3.46Å; Y159-G162 PolarHBondContact O-N 2.88Å; Y159-G162 VanDerWaalsContact O-N 3.13Å; Y159-L163 HydrophobicContact CE1-CD2 4Å; Y159-L163 PolarHBondContact O-N 2.87Å; Y159-I210 HydrophobicContact CD1-CD1 4.21Å; Y159-I210 HydrophobicContact CE1-CD1 4.25Å; Y159-I495 HydrophobicContact CD1-CG2 4.33Å; Y159-I495 HydrophobicContact CD2-CG2 4.49Å; Y159-I495 HydrophobicContact CG-CG2 3.98Å; Y159-S513 PolarHBondContact OH-N 2.86Å; Y159-S513 PolarHBondContact OH-O 2.79Å
160	A	98.9	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-29.5	179.2	0	0	0	0	0	112.8	V117 V156 C157 D158 L163 S164 A209 I210	V117-A160 HydrophobicContact CG1-CB 3.98Å; V156-A160 WeakPolarHBondContact O-CB 3.3Å; V156-A160 PolarHBondContact O-N 3.17Å; C157-A160 WeakPolarHBondContact O-CB 3.29Å; C157-A160 PolarHBondContact O-N 2.93Å; D158-A160 VanDerWaalsContact C-N 3.29Å; D158-A160 PolarHBondContact O-N 3.44Å; A160-L163 PolarHBondContact O-N 3.11Å; A160-S164 WeakPolarHBondContact O-CB 3.34Å; A160-S164 PolarHBondContact O-N 3.13Å; A160-A209 HydrophobicContact CB-CB 4Å; A160-I210 HydrophobicContact CB-CD1 4.29Å
161	V	98.9	Very high	98.8	Very high	35 Å²	35	49.9 Å²	49.9	21%	0.212	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-47.3	171.5	-177.2	0	0	0	0	110.8	R118 C157 D158 Y159 S164	R118-V161 HydrophobicContact CB-CG2 3.57Å; R118-V161 HydrophobicContact CG-CG2 3.96Å; C157-V161 WeakPolarHBondContact O-CG2 3.44Å; C157-V161 PolarHBondContact O-N 2.82Å; D158-V161 WeakPolarHBondContact O-CB 3.49Å; D158-V161 PolarHBondContact O-N 3.41Å; D158-V161 VanDerWaalsContact O-N 3.15Å; Y159-V161 VanDerWaalsContact C-N 3.28Å; Y159-V161 PolarHBondContact O-N 3.46Å; V161-S164 WeakPolarHBondContact O-CB 3.24Å; V161-S164 PolarHBondContact O-N 2.73Å; V161-S164 PolarHBondContact O-OG 2.81Å
162	G	98.8	Very high	98.7	Very high	31 Å²	31	50.2 Å²	50.2	32%	0.32	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-48.9	175.3	0	0	0	0	0	111.2	D158 Y159 S164 R165	D158-G162 PolarHBondContact O-N 3.24Å; Y159-G162 PolarHBondContact O-N 2.88Å; Y159-G162 VanDerWaalsContact O-N 3.13Å; G162-S164 VanDerWaalsContact C-N 3.25Å; G162-S164 PolarHBondContact O-N 3.37Å; G162-R165 PolarHBondContact O-N 2.86Å; G162-R165 VanDerWaalsContact O-N 3.14Å
163	L	98.9	Very high	98.7	Very high	13 Å²	13	53 Å²	53	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-32.1	-179.1	-172	61.2	0	0	0	113.2	Y159 A160 R165 M166 I167 I210 W516	Y159-L163 HydrophobicContact CE1-CD2 4Å; Y159-L163 PolarHBondContact O-N 2.87Å; A160-L163 PolarHBondContact O-N 3.11Å; L163-R165 PolarHBondContact O-N 3Å; L163-M166 HydrophobicContact CD1-CB 4.5Å; L163-M166 PolarHBondContact O-N 2.99Å; L163-I167 HydrophobicContact CD1-CG2 3.77Å; L163-I167 HydrophobicContact CD2-CG2 4.37Å; L163-I167 HydrophobicContact CG-CG2 3.68Å; L163-I167 PolarHBondContact O-N 2.98Å; L163-I210 HydrophobicContact CD2-CD1 3.78Å; L163-W516 HydrophobicContact CD1-CG 4.43Å; L163-W516 HydrophobicContact CD2-CB 3.96Å; L163-W516 HydrophobicContact CD2-CG 4.26Å
164	S	98.9	Very high	98.7	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.021	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-16.4	177.3	80.4	0	0	0	0	114.6	A110 A160 V161 G162 T213	A110-S164 CarbonylContact C-O 3.55Å; A110-S164 VanDerWaalsContact CB-O 3.3Å; A110-S164 WeakPolarHBondContact CB-O 3.38Å; A110-S164 WeakPolarHBondContact O-CB 3.42Å; A160-S164 WeakPolarHBondContact O-CB 3.34Å; A160-S164 PolarHBondContact O-N 3.13Å; V161-S164 WeakPolarHBondContact O-CB 3.24Å; V161-S164 PolarHBondContact O-N 2.73Å; V161-S164 PolarHBondContact O-OG 2.81Å; G162-S164 VanDerWaalsContact C-N 3.25Å; G162-S164 PolarHBondContact O-N 3.37Å; S164-T213 VanDerWaalsContact CA-CG2 3.41Å; S164-T213 VanDerWaalsContact CB-CG2 3.48Å
165	R	98.8	Very high	98.6	Very high	185 Å²	185	63.1 Å²	63.1	70%	0.698	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-1.8	177.5	-60.2	-178.9	177.7	-83.1	-1.8	113.4	P111 G162 L163	P111-R165 HydrophobicContact CB-CG 4.17Å; P111-R165 HydrophobicContact CG-CG 4.14Å; G162-R165 PolarHBondContact O-N 2.86Å; G162-R165 VanDerWaalsContact O-N 3.14Å; L163-R165 PolarHBondContact O-N 3Å
166	M	98.8	Very high	98.6	Very high	147 Å²	147	66.7 Å²	66.7	72%	0.724	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	-27.2	-170.4	-61.1	179.8	-178.4	0	0	113.4	L163 G168	L163-M166 HydrophobicContact CD1-CB 4.5Å; L163-M166 PolarHBondContact O-N 2.99Å; M166-G168 PolarHBondContact O-N 3.19Å
167	I	98.6	Very high	98.5	Very high	32 Å²	32	72 Å²	72	16%	0.164	39%	0.388	C	S	.	.			trans	-56	128.7	-179.8	54.2	168.4	0	0	0	111.3	A110 L163 W516 M520	A110-I167 HydrophobicContact CB-CD1 4.05Å; A110-I167 HydrophobicContact CB-CG1 4.49Å; L163-I167 HydrophobicContact CD1-CG2 3.77Å; L163-I167 HydrophobicContact CD2-CG2 4.37Å; L163-I167 HydrophobicContact CG-CG2 3.68Å; L163-I167 PolarHBondContact O-N 2.98Å; I167-W516 HydrophobicContact CB-CD2 4.31Å; I167-W516 HydrophobicContact CB-CE3 4.1Å; I167-W516 HydrophobicContact CB-CH2 4.38Å; I167-W516 HydrophobicContact CB-CZ3 4.14Å; I167-W516 HydrophobicContact CG2-CB 4.43Å; I167-W516 HydrophobicContact CG2-CD2 3.63Å; I167-W516 HydrophobicContact CG2-CE3 3.8Å; I167-W516 HydrophobicContact CG2-CG 3.91Å; I167-W516 HydrophobicContact CG2-CZ3 4.33Å; I167-M520 HydrophobicContact CD1-CE 4.3Å; I167-M520 HydrophobicContact CD1-SD 4.05Å
168	G	98	Very high	98.4	Very high	36 Å²	36	72.9 Å²	72.9	37%	0.371	40%	0.398	S	S	.	.			trans	166.7	178.7	-173.8	0	0	0	0	0	112.4	M166 W185 W516	M166-G168 PolarHBondContact O-N 3.19Å; G168-W185 VanDerWaalsContact C-CD1 3.49Å; G168-W516 WeakPolarHBondContact O-CH2 3.28Å
169	G	98.3	Very high	98.4	Very high	30 Å²	30	71.5 Å²	71.5	31%	0.309	39%	0.389	S	S	.	.			trans	-125.5	165.9	177.3	0	0	0	0	0	111.8	E183	G169-E183 CarbonylContact C-O 3.39Å; G169-E183 VanDerWaalsContact CA-O 3.3Å; G169-E183 WeakPolarHBondContact CA-O 3.26Å
170	P	98.4	Very high	98.4	Very high	63 Å²	63	69.6 Å²	69.6	41%	0.409	39%	0.387	S	S	.	.			trans	-68.8	153	179.3	27.9	-37.1	0	0	0	113.2	L172 E183	P170-L172 HydrophobicContact CB-CD2 4.11Å; P170-L172 HydrophobicContact CB-CG 4.43Å; P170-L172 HydrophobicContact CG-CD2 4.09Å; P170-L172 HydrophobicContact CG-CG 4.29Å; P170-E183 HydrophobicContact CG-CB 4.18Å; P170-E183 PolarHBondContact O-N 2.85Å
171	I	98.7	Very high	98.4	Very high	138 Å²	138	71.2 Å²	71.2	71%	0.708	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	124	156	-53.6	-172.9	0	0	0	106.8	L182	I171-L182 HydrophobicContact CB-CD2 4.03Å; I171-L182 HydrophobicContact CD1-CD2 4.08Å; I171-L182 HydrophobicContact CG1-CD2 3.59Å; I171-L182 HydrophobicContact CG2-CD2 3.81Å
172	L	98.6	Very high	98.4	Very high	74 Å²	74	71.2 Å²	71.2	39%	0.387	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.8	-177	-63	171.7	0	0	0	110.4	P170 S174 L181	P170-L172 HydrophobicContact CB-CD2 4.11Å; P170-L172 HydrophobicContact CB-CG 4.43Å; P170-L172 HydrophobicContact CG-CD2 4.09Å; P170-L172 HydrophobicContact CG-CG 4.29Å; L172-S174 PolarHBondContact O-N 2.92Å; L172-S174 VanDerWaalsContact O-N 3.16Å; L172-L181 HydrophobicContact CB-CB 4.2Å; L172-L181 HydrophobicContact CB-CD2 3.84Å; L172-L181 HydrophobicContact CB-CG 3.96Å; L172-L181 HydrophobicContact CD1-CD2 4.1Å; L172-L181 HydrophobicContact CD1-CG 4.3Å; L172-L181 PolarHBondContact N-O 3.41Å
173	P	98.1	Very high	98.4	Very high	124 Å²	124	71.8 Å²	71.8	81%	0.805	39%	0.389	S	S	*	.			trans	-69.8	112.4	173.9	28.7	-32.5	0	0	0	109.3
174	S	98.4	Very high	98.4	Very high	32 Å²	32	75.4 Å²	75.4	22%	0.224	41%	0.406	C	S	.	.			trans	-67.6	141	171.4	-166.9	0	0	0	0	109.8	L172 R176 H179	L172-S174 PolarHBondContact O-N 2.92Å; L172-S174 VanDerWaalsContact O-N 3.16Å; S174-R176 PolarHBondContact O-N 3.14Å; S174-R176 PolarHBondContact OG-N 3.1Å; S174-H179 WeakPolarHBondContact CB-O 3.44Å
175	E	98.2	Very high	98.4	Very high	179 Å²	179	76.3 Å²	76.3	84%	0.836	41%	0.408	S	S	*	.	S	Bend	trans	-71	-11.9	169.2	66.6	-176.8	-148.3	0	0	112.8
176	R	97.7	Very high	98.4	Very high	140 Å²	140	70.5 Å²	70.5	53%	0.528	39%	0.391	S	S	.	.	S	Bend	trans	-96.6	122.4	-175.4	-55.8	175.7	-174.2	-147.1	-1.5	109.6	S174 G178 H179	S174-R176 PolarHBondContact O-N 3.14Å; S174-R176 PolarHBondContact OG-N 3.1Å; R176-G178 PolarHBondContact O-N 2.74Å; R176-H179 HydrophobicContact CB-CB 3.89Å; R176-H179 PolarHBondContact O-N 2.88Å
177	P	97.1	Very high	98.4	Very high	110 Å²	110	64.2 Å²	64.2	71%	0.714	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	141.8	171.2	-25.8	34.8	0	0	0	111.4	H179	P177-H179 PolarHBondContact O-N 3.05Å; P177-H179 PolarHBondContact O-ND1 3.3Å
178	G	97.3	Very high	98.4	Very high	20 Å²	20	63.5 Å²	63.5	21%	0.206	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	17.2	177.9	0	0	0	0	0	115.4	R176 N528 Y529 S530	R176-G178 PolarHBondContact O-N 2.74Å; G178-N528 PolarHBondContact O-OD1 3.44Å; G178-Y529 VanDerWaalsContact C-CE1 3.43Å; G178-Y529 VanDerWaalsContact O-CD1 3.28Å; G178-Y529 WeakPolarHBondContact O-CD1 3.36Å; G178-Y529 WeakPolarHBondContact O-CE1 3.42Å; G178-Y529 PolarHBondContact O-N 2.96Å; G178-S530 PolarHBondContact O-N 3.09Å
179	H	98.6	Very high	98.4	Very high	39 Å²	39	61.8 Å²	61.8	18%	0.181	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	140.7	176.1	-65.7	63	0	0	0	112	S174 R176 P177 T526 I527 N528 Y529	S174-H179 WeakPolarHBondContact CB-O 3.44Å; R176-H179 HydrophobicContact CB-CB 3.89Å; R176-H179 PolarHBondContact O-N 2.88Å; P177-H179 PolarHBondContact O-N 3.05Å; P177-H179 PolarHBondContact O-ND1 3.3Å; H179-T526 HydrophobicContact CB-CG2 4.46Å; H179-I527 CarbonylContact C-O 3.53Å; H179-I527 VanDerWaalsContact CA-O 3.26Å; H179-I527 WeakPolarHBondContact CA-O 3.44Å; H179-N528 PolarHBondContact CE1-OD1 2.84Å; H179-N528 WeakPolarHBondContact NE2-CB 3.19Å; H179-Y529 VanDerWaalsContact C-CE1 3.45Å
180	A	98.6	Very high	98.5	Very high	30 Å²	30	60.3 Å²	60.3	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.8	167	0	0	0	0	0	109.7	T526 I527 Y529	A180-T526 CarbonylContact O-C 3.56Å; A180-T526 WeakPolarHBondContact O-CA 3.43Å; A180-I527 HydrophobicContact CB-CB 4.43Å; A180-I527 PolarHBondContact N-O 3.49Å; A180-I527 PolarHBondContact O-N 3.34Å; A180-Y529 HydrophobicContact CB-CD1 4.41Å; A180-Y529 HydrophobicContact CB-CE1 4.17Å
181	L	98.7	Very high	98.5	Very high	35 Å²	35	57.3 Å²	57.3	18%	0.183	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.6	173.7	-179.3	63.4	0	0	0	109	L172 T524 C525 T526	L172-L181 HydrophobicContact CB-CB 4.2Å; L172-L181 HydrophobicContact CB-CD2 3.84Å; L172-L181 HydrophobicContact CB-CG 3.96Å; L172-L181 HydrophobicContact CD1-CD2 4.1Å; L172-L181 HydrophobicContact CD1-CG 4.3Å; L172-L181 PolarHBondContact N-O 3.41Å; L181-T524 HydrophobicContact CD1-CG2 3.56Å; L181-C525 WeakPolarHBondContact CA-O 3.45Å; L181-T526 WeakPolarHBondContact CD1-OG1 3.46Å
182	L	98.4	Very high	98.5	Very high	34 Å²	34	50.8 Å²	50.8	18%	0.178	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.8	-174.1	-54.8	169	0	0	0	110.1	I171 C525 I527	I171-L182 HydrophobicContact CB-CD2 4.03Å; I171-L182 HydrophobicContact CD1-CD2 4.08Å; I171-L182 HydrophobicContact CG1-CD2 3.59Å; I171-L182 HydrophobicContact CG2-CD2 3.81Å; L182-C525 HydrophobicContact CB-CB 4.31Å; L182-C525 PolarHBondContact N-O 3.44Å; L182-C525 PolarHBondContact O-N 2.66Å; L182-I527 HydrophobicContact CD1-CD1 3.81Å
183	E	98.8	Very high	98.5	Very high	43 Å²	43	47.2 Å²	47.2	20%	0.201	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.4	161.1	-173.3	-179.9	105.1	0	0	109.4	G169 P170 W185 R522	G169-E183 CarbonylContact C-O 3.39Å; G169-E183 VanDerWaalsContact CA-O 3.3Å; G169-E183 WeakPolarHBondContact CA-O 3.26Å; P170-E183 HydrophobicContact CG-CB 4.18Å; P170-E183 PolarHBondContact O-N 2.85Å; E183-W185 PolarHBondContact OE1-NE1 3.45Å; E183-R522 HydrophobicContact CG-CG 3.64Å; E183-R522 WeakPolarHBondContact OE2-CD 3.5Å
184	Q	98.7	Very high	98.6	Very high	90 Å²	90	41.8 Å²	41.8	42%	0.421	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145.9	179.4	-76.1	-73.2	13.8	0	0	111.6	R522 S523	Q184-R522 CarbonylContact O-C 3.56Å; Q184-R522 WeakPolarHBondContact O-CA 3.46Å; Q184-S523 WeakPolarHBondContact CB-OG 3.17Å; Q184-S523 PolarHBondContact N-O 3.32Å; Q184-S523 PolarHBondContact O-N 3.1Å; Q184-S523 PolarHBondContact O-OG 2.74Å
185	W	98.9	Very high	98.6	Very high	21 Å²	21	40.5 Å²	40.5	8%	0.08	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.5	178.1	-69.6	88.9	0	0	0	110.3	G168 E183 W516 K517 M520 R521 R522	G168-W185 VanDerWaalsContact C-CD1 3.49Å; E183-W185 PolarHBondContact OE1-NE1 3.45Å; W185-W516 HydrophobicContact CB-CH2 4.41Å; W185-W516 HydrophobicContact CB-CZ3 4Å; W185-W516 AromaticContact CD1-CH2 3.88Å; W185-W516 AromaticContact CD2-CH2 3.92Å; W185-W516 HydrophobicContact CD2-CH2 3.92Å; W185-W516 AromaticContact CD2-CZ3 3.74Å; W185-W516 HydrophobicContact CD2-CZ3 3.74Å; W185-W516 AromaticContact CE2-CH2 3.99Å; W185-W516 HydrophobicContact CE3-CZ3 4.07Å; W185-W516 AromaticContact CG-CH2 3.82Å; W185-W516 HydrophobicContact CG-CH2 3.82Å; W185-W516 AromaticContact CG-CZ3 3.73Å; W185-W516 HydrophobicContact CG-CZ3 3.73Å; W185-W516 AromaticContact NE1-CH2 3.97Å; W185-K517 HydrophobicContact CH2-CB 3.53Å; W185-K517 HydrophobicContact CH2-CD 3.76Å; W185-K517 HydrophobicContact CH2-CG 3.52Å; W185-K517 HydrophobicContact CZ2-CB 4.26Å; W185-K517 HydrophobicContact CZ2-CD 3.72Å; W185-K517 HydrophobicContact CZ2-CG 3.72Å; W185-K517 HydrophobicContact CZ3-CB 3.75Å; W185-K517 HydrophobicContact CZ3-CG 4Å; W185-K517 WeakPolarHBondContact CZ3-O 3.14Å; W185-M520 HydrophobicContact CB-CB 4.38Å; W185-M520 HydrophobicContact CB-CE 4.01Å; W185-M520 HydrophobicContact CB-SD 4.05Å; W185-M520 HydrophobicContact CE3-CB 3.63Å; W185-M520 HydrophobicContact CZ3-CB 4.33Å; W185-M520 WeakPolarHBondContact O-CE 3.26Å; W185-R521 WeakPolarHBondContact CA-O 3.48Å; W185-R522 HydrophobicContact CD2-CB 4.2Å; W185-R522 HydrophobicContact CE3-CB 4.01Å; W185-R522 HydrophobicContact CH2-CB 3.74Å; W185-R522 HydrophobicContact CH2-CG 4.37Å; W185-R522 HydrophobicContact CZ2-CB 3.86Å; W185-R522 HydrophobicContact CZ2-CG 4.01Å; W185-R522 HydrophobicContact CZ3-CB 3.79Å
186	N	98.9	Very high	98.6	Very high	64 Å²	64	32.8 Å²	32.8	34%	0.342	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	153.8	177.8	-78	-83.2	0	0	0	110.8	M520 R521	N186-M520 CarbonylContact O-C 3.57Å; N186-M520 VanDerWaalsContact O-CA 3.23Å; N186-M520 WeakPolarHBondContact O-CA 3.23Å; N186-M520 WeakPolarHBondContact O-CB 3.33Å; N186-R521 HydrophobicContact CB-CG 4.16Å; N186-R521 PolarHBondContact N-O 2.96Å; N186-R521 VanDerWaalsContact N-O 3.09Å; N186-R521 WeakPolarHBondContact O-CG 3.38Å; N186-R521 PolarHBondContact O-N 3.49Å
187	P	98.9	Very high	98.7	Very high	14 Å²	14	28.4 Å²	28.4	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.9	149.4	175.4	19.9	-31.1	0	0	0	111.8	W102 A106 C214 G215 N216	W102-P187 HydrophobicContact CZ2-CG 4.1Å; A106-P187 HydrophobicContact CB-CG 4.28Å; P187-C214 WeakPolarHBondContact CB-O 3.46Å; P187-G215 VanDerWaalsContact CB-O 3.3Å; P187-G215 WeakPolarHBondContact CB-O 3.34Å; P187-N216 VanDerWaalsContact CB-OD1 3.29Å; P187-N216 WeakPolarHBondContact CB-OD1 3.3Å
188	V	98.9	Very high	98.7	Very high	17 Å²	17	23.6 Å²	23.6	10%	0.103	13%	0.129	C	C	.	.			trans	-74.8	-35.6	171	-64.4	0	0	0	0	111.3	V191 N216 D271 L272	V188-V191 HydrophobicContact CG2-CG2 3.99Å; V188-N216 VanDerWaalsContact CG2-OD1 3.26Å; V188-N216 WeakPolarHBondContact CG2-OD1 3.35Å; V188-N216 PolarHBondContact N-OD1 2.68Å; V188-D271 HydrophobicContact CB-CB 3.9Å; V188-D271 HydrophobicContact CG2-CB 4.13Å; V188-D271 VanDerWaalsContact O-OD2 3.13Å; V188-L272 HydrophobicContact CG2-CB 4Å
189	G	98.9	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	131.8	-102.9	-179.4	0	0	0	0	0	112.7	N216 V217 D271	G189-N216 PolarHBondContact N-OD1 2.86Å; G189-N216 VanDerWaalsContact O-CA 3.27Å; G189-N216 WeakPolarHBondContact O-CA 3.43Å; G189-N216 WeakPolarHBondContact O-CB 3.29Å; G189-V217 PolarHBondContact O-N 2.99Å; G189-D271 WeakPolarHBondContact CA-OD2 3.48Å
190	L	98.9	Very high	98.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120.9	177.7	171.8	60.9	0	0	0	109.6	V95 A98 V217 L219 V270 D271 L272	V95-L190 HydrophobicContact CG1-CD2 4.06Å; A98-L190 HydrophobicContact CB-CD1 4.1Å; L190-V217 HydrophobicContact CB-CG2 4.08Å; L190-V217 HydrophobicContact CD1-CG2 3.78Å; L190-L219 HydrophobicContact CD1-CB 3.86Å; L190-V270 HydrophobicContact CD2-CG2 4.02Å; L190-D271 PolarHBondContact N-OD2 3.46Å; L190-D271 PolarHBondContact O-N 3.18Å; L190-L272 PolarHBondContact O-N 3.49Å
191	V	99	Very high	98.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	110.8	172.9	-178.6	0	0	0	0	108.7	V188 I193 A211 N216 V217 C218 L219 L272 Y519	V188-V191 HydrophobicContact CG2-CG2 3.99Å; V191-I193 HydrophobicContact CG1-CG1 3.96Å; V191-A211 HydrophobicContact CB-CB 4.34Å; V191-A211 HydrophobicContact CG1-CB 4.49Å; V191-A211 HydrophobicContact CG2-CB 4.09Å; V191-N216 HydrophobicContact CG2-CB 3.68Å; V191-V217 PolarHBondContact N-O 3.42Å; V191-C218 CarbonylContact O-C 3.57Å; V191-C218 WeakPolarHBondContact O-CA 3.39Å; V191-L219 PolarHBondContact O-N 3.22Å; V191-L272 CarbonylContact C-O 3.54Å; V191-L272 WeakPolarHBondContact CA-O 3.36Å; V191-L272 HydrophobicContact CG1-CD2 4.12Å; V191-L272 HydrophobicContact CG1-CG 4.27Å; V191-L272 HydrophobicContact CG2-CB 4.3Å; V191-L272 HydrophobicContact CG2-CD2 4.18Å; V191-Y519 HydrophobicContact CG1-CD1 4.35Å; V191-Y519 HydrophobicContact CG1-CE1 4.38Å; V191-Y519 HydrophobicContact CG2-CD1 4.32Å
192	G	98.9	Very high	98.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.5	167.1	0	0	0	0	0	109.5	L219 L272 L273 S274	G192-L219 CarbonylContact C-O 3.55Å; G192-L219 WeakPolarHBondContact CA-O 3.38Å; G192-L272 PolarHBondContact N-O 3.49Å; G192-L273 WeakPolarHBondContact O-CA 3.48Å; G192-L273 WeakPolarHBondContact O-CD1 3.34Å; G192-S274 PolarHBondContact O-N 2.96Å
193	I	99	Very high	98.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	115.2	-179.3	-52.5	169.2	0	0	0	107.8	V191 T195 Y204 N207 C218 L219 W220 K221 S274	V191-I193 HydrophobicContact CG1-CG1 3.96Å; I193-T195 HydrophobicContact CG2-CG2 3.76Å; I193-Y204 HydrophobicContact CD1-CD2 4.06Å; I193-Y204 HydrophobicContact CD1-CE2 4.1Å; I193-Y204 HydrophobicContact CG2-CD2 4.37Å; I193-N207 HydrophobicContact CD1-CB 3.71Å; I193-N207 HydrophobicContact CG1-CB 4.11Å; I193-N207 HydrophobicContact CG2-CB 4.11Å; I193-C218 HydrophobicContact CD1-CB 4Å; I193-L219 PolarHBondContact N-O 3.28Å; I193-W220 WeakPolarHBondContact O-CA 3.25Å; I193-K221 PolarHBondContact O-N 3.1Å; I193-S274 WeakPolarHBondContact CA-O 3.33Å
194	I	98.9	Very high	98.9	Very high	9 Å²	9	16.3 Å²	16.3	5%	0.046	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.9	173.9	-64.3	171.6	0	0	0	107.8	K221 M264 L273 S274 F275 T276	I194-K221 WeakPolarHBondContact CA-O 3.45Å; I194-K221 HydrophobicContact CG1-CB 4.36Å; I194-M264 HydrophobicContact CD1-CB 4.37Å; I194-M264 HydrophobicContact CD1-CE 4.37Å; I194-M264 HydrophobicContact CD1-SD 4.09Å; I194-M264 HydrophobicContact CG1-CE 3.82Å; I194-M264 HydrophobicContact CG1-SD 3.87Å; I194-L273 HydrophobicContact CD1-CD1 3.91Å; I194-L273 HydrophobicContact CD1-CD2 4.24Å; I194-L273 HydrophobicContact CG1-CD1 4.08Å; I194-S274 PolarHBondContact N-O 3.26Å; I194-F275 HydrophobicContact CB-CD2 3.77Å; I194-F275 HydrophobicContact CB-CE2 4.39Å; I194-F275 HydrophobicContact CD1-CD2 4.13Å; I194-F275 HydrophobicContact CG2-CD2 3.57Å; I194-F275 HydrophobicContact CG2-CE2 3.67Å; I194-T276 PolarHBondContact O-N 3.25Å
195	T	98.9	Very high	98.9	Very high	5 Å²	5	12 Å²	12	3%	0.031	6%	0.063	C	C	.	.			trans	-112.8	152.8	-174.4	63.1	0	0	0	0	113.1	I193 V203 W220 K221 A223 T276	I193-T195 HydrophobicContact CG2-CG2 3.76Å; T195-V203 HydrophobicContact CG2-CB 4.25Å; T195-V203 HydrophobicContact CG2-CG1 3.78Å; T195-W220 PolarHBondContact OG1-NE1 3.11Å; T195-K221 PolarHBondContact N-O 3.12Å; T195-A223 PolarHBondContact O-N 2.88Å; T195-T276 CarbonylContact C-O 3.57Å
196	A	98.6	Very high	98.9	Very high	17 Å²	17	12.4 Å²	12.4	14%	0.14	6%	0.064	C	C	.	.			trans	-79.6	167.9	173.6	0	0	0	0	0	111.9	N198 T276	A196-N198 VanDerWaalsContact C-N 3.33Å; A196-N198 VanDerWaalsContact CB-OD1 3.29Å; A196-N198 WeakPolarHBondContact CB-OD1 3.29Å; A196-N198 PolarHBondContact O-N 3.2Å; A196-T276 HydrophobicContact CB-CG2 4.4Å; A196-T276 PolarHBondContact N-O 3.06Å
197	F	98.8	Very high	98.9	Very high	49 Å²	49	9.3 Å²	9.3	22%	0.215	5%	0.048	C	C	.	.	S	Bend	trans	-73.6	-25.1	-177.6	72.9	-92.8	0	0	0	113.4	M139 P200 A223 T226 Q331 H376 F432	M139-F197 HydrophobicContact CE-CD2 3.96Å; M139-F197 HydrophobicContact CE-CE2 3.76Å; M139-F197 HydrophobicContact CG-CD2 4.41Å; M139-F197 WeakPolarHBondContact CG-O 3.26Å; F197-P200 WeakPolarHBondContact O-CD 3.13Å; F197-A223 HydrophobicContact CB-CB 3.83Å; F197-T226 HydrophobicContact CB-CG2 4.2Å; F197-Q331 HydrophobicContact CE2-CB 4.46Å; F197-H376 HydrophobicContact CD2-CB 3.65Å; F197-H376 AromaticContact CD2-CD2 3.19Å; F197-H376 WeakPolarHBondContact CD2-CD2 3.2Å; F197-H376 AromaticContact CD2-CG 3.33Å; F197-H376 AromaticContact CD2-ND1 3.98Å; F197-H376 AromaticContact CD2-NE2 3.82Å; F197-H376 HydrophobicContact CE2-CB 3.34Å; F197-H376 AromaticContact CE2-CD2 3.77Å; F197-H376 AromaticContact CE2-CG 3.62Å; F197-H376 AromaticContact CG-CD2 3.46Å; F197-H376 VanDerWaalsContact CG-CD2 3.46Å; F197-H376 WeakPolarHBondContact CG-CD2 3.37Å; F197-H376 AromaticContact CG-NE2 3.89Å; F197-H376 HydrophobicContact CZ-CB 4.12Å; F197-F432 HydrophobicContact CE1-CD1 4.15Å; F197-F432 HydrophobicContact CE1-CE1 4.1Å; F197-F432 HydrophobicContact CE2-CE1 4.49Å; F197-F432 AromaticContact CZ-CD1 3.7Å; F197-F432 HydrophobicContact CZ-CD1 3.7Å; F197-F432 AromaticContact CZ-CE1 3.65Å; F197-F432 HydrophobicContact CZ-CE1 3.65Å
198	N	98.7	Very high	98.9	Very high	9 Å²	9	8.7 Å²	8.7	5%	0.048	4%	0.043	C	C	.	.	S	Bend	trans	-84.6	-21	-162.2	64.4	-46.1	0	0	0	114	M139 K141 A196 Q331 F432	M139-N198 HydrophobicContact CE-CB 3.8Å; K141-N198 WeakPolarHBondContact CE-O 3.3Å; K141-N198 PolarHBondContact NZ-O 3.48Å; A196-N198 VanDerWaalsContact C-N 3.33Å; A196-N198 VanDerWaalsContact CB-OD1 3.29Å; A196-N198 WeakPolarHBondContact CB-OD1 3.29Å; A196-N198 PolarHBondContact O-N 3.2Å; N198-Q331 WeakPolarHBondContact CB-O 3.24Å; N198-Q331 PolarHBondContact ND2-O 3.12Å; N198-F432 HydrophobicContact CB-CE1 4.11Å; N198-F432 HydrophobicContact CB-CZ 4.47Å
199	F	98.9	Very high	98.9	Very high	38 Å²	38	7.9 Å²	7.9	17%	0.167	4%	0.039	C	C	.	.	S	Bend	trans	-132.1	73.1	168.2	-70.8	-87.9	0	0	0	108.6	E149 V201 V203 R332	E149-F199 HydrophobicContact CG-CD1 4.06Å; E149-F199 WeakPolarHBondContact OE1-CA 3.22Å; F199-V201 PolarHBondContact O-N 2.88Å; F199-V203 HydrophobicContact CB-CG2 3.77Å; F199-R332 HydrophobicContact CE2-CB 4.18Å; F199-R332 HydrophobicContact CE2-CG 4.17Å; F199-R332 HydrophobicContact CZ-CB 4.38Å; F199-R332 HydrophobicContact CZ-CG 3.97Å
200	P	98.9	Very high	98.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-5.5	-171.5	32.6	-37	0	0	0	114.3	V135 M139 E149 F197 W220 T226 T229	V135-P200 HydrophobicContact CG1-CG 4.14Å; V135-P200 HydrophobicContact CG2-CG 4.35Å; M139-P200 HydrophobicContact CB-CG 4.36Å; E149-P200 VanDerWaalsContact OE1-CD 3.23Å; E149-P200 WeakPolarHBondContact OE1-CD 3.47Å; F197-P200 WeakPolarHBondContact O-CD 3.13Å; P200-W220 WeakPolarHBondContact O-CH2 3.36Å; P200-W220 WeakPolarHBondContact O-CZ2 3.44Å; P200-T226 HydrophobicContact CB-CG2 4.1Å; P200-T226 HydrophobicContact CG-CG2 4.38Å; P200-T229 HydrophobicContact CB-CG2 3.86Å; P200-T229 HydrophobicContact CG-CG2 3.95Å
201	V	98.9	Very high	98.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-56.1	176.1	-178.3	0	0	0	0	110.9	L131 V135 E149 V150 Y153 F199 V203 Y204 G205 T229 V233	L131-V201 HydrophobicContact CD2-CG1 4.43Å; L131-V201 HydrophobicContact CD2-CG2 4.46Å; L131-V201 HydrophobicContact CG-CG2 4.49Å; V135-V201 HydrophobicContact CG2-CG2 3.61Å; E149-V201 HydrophobicContact CG-CB 4.17Å; E149-V201 WeakPolarHBondContact OE1-CA 3.4Å; E149-V201 PolarHBondContact OE1-N 2.81Å; V150-V201 HydrophobicContact CG2-CG1 4.36Å; Y153-V201 HydrophobicContact CD1-CG1 3.85Å; F199-V201 PolarHBondContact O-N 2.88Å; V201-V203 PolarHBondContact O-N 2.84Å; V201-Y204 PolarHBondContact O-N 3.09Å; V201-G205 PolarHBondContact O-N 3.23Å; V201-T229 HydrophobicContact CG2-CG2 3.49Å; V201-T229 VanDerWaalsContact CG2-CG2 3.49Å; V201-V233 HydrophobicContact CB-CG2 4.48Å; V201-V233 HydrophobicContact CG1-CG2 4.12Å; V201-V233 HydrophobicContact CG2-CG2 3.91Å
202	A	98.8	Very high	98.9	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-65.6	-42.4	-166.5	0	0	0	0	0	113.5	E149 E152 Y204 G205 W206	E149-A202 HydrophobicContact CG-CB 3.42Å; E149-A202 VanDerWaalsContact CG-CB 3.42Å; E149-A202 PolarHBondContact OE1-N 3.43Å; E152-A202 HydrophobicContact CB-CB 4.19Å; A202-Y204 PolarHBondContact O-N 3.02Å; A202-G205 CarbonylContact O-C 3.58Å; A202-G205 WeakPolarHBondContact O-CA 3.41Å; A202-G205 PolarHBondContact O-N 3.46Å; A202-W206 HydrophobicContact CB-CH2 4.35Å; A202-W206 HydrophobicContact CB-CZ2 4Å; A202-W206 VanDerWaalsContact O-CG 3.31Å; A202-W206 PolarHBondContact O-N 3.04Å
203	V	98.9	Very high	98.9	Very high	6 Å²	6	7.9 Å²	7.9	4%	0.036	4%	0.039	C	C	.	.	H	α-helix	trans	-63.9	-42.6	-179.7	172.7	0	0	0	0	111.2	T195 F199 V201 G205 W206 N207 T276	T195-V203 HydrophobicContact CG2-CB 4.25Å; T195-V203 HydrophobicContact CG2-CG1 3.78Å; F199-V203 HydrophobicContact CB-CG2 3.77Å; V201-V203 PolarHBondContact O-N 2.84Å; V203-G205 VanDerWaalsContact C-N 3.27Å; V203-G205 PolarHBondContact O-N 2.98Å; V203-W206 HydrophobicContact CG2-CE3 4.22Å; V203-W206 HydrophobicContact CG2-CZ3 3.97Å; V203-N207 PolarHBondContact O-N 3.03Å; V203-N207 PolarHBondContact O-ND2 2.94Å; V203-T276 HydrophobicContact CG1-CG2 3.96Å; V203-T276 WeakPolarHBondContact CG1-OG1 3.38Å; V203-T276 HydrophobicContact CG2-CG2 4.29Å
204	Y	98.9	Very high	98.9	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-60.9	-43.2	171.3	167.9	-106.1	0	0	0	110.3	Y153 I193 V201 A202 N207 N208 W220 V233	Y153-Y204 HydrophobicContact CE1-CD1 4.11Å; Y153-Y204 HydrophobicContact CE1-CE1 4.21Å; I193-Y204 HydrophobicContact CD1-CD2 4.06Å; I193-Y204 HydrophobicContact CD1-CE2 4.1Å; I193-Y204 HydrophobicContact CG2-CD2 4.37Å; V201-Y204 PolarHBondContact O-N 3.09Å; A202-Y204 PolarHBondContact O-N 3.02Å; Y204-N207 PolarHBondContact O-N 3.31Å; Y204-N208 HydrophobicContact CD1-CB 4.46Å; Y204-N208 HydrophobicContact CD2-CB 4.44Å; Y204-N208 HydrophobicContact CE1-CB 4.08Å; Y204-N208 HydrophobicContact CE2-CB 4.04Å; Y204-N208 WeakPolarHBondContact O-CB 3.49Å; Y204-N208 PolarHBondContact O-N 3.2Å; Y204-N208 PolarHBondContact OH-ND2 2.73Å; Y204-N208 VanDerWaalsContact OH-ND2 3.15Å; Y204-W220 HydrophobicContact CD1-CD2 4.3Å; Y204-W220 AromaticContact CD1-CE3 3.96Å; Y204-W220 HydrophobicContact CD1-CE3 3.96Å; Y204-W220 AromaticContact CD1-CH2 3.98Å; Y204-W220 HydrophobicContact CD1-CH2 3.98Å; Y204-W220 HydrophobicContact CD1-CZ2 4.37Å; Y204-W220 AromaticContact CD1-CZ3 3.79Å; Y204-W220 HydrophobicContact CD1-CZ3 3.79Å; Y204-W220 HydrophobicContact CD2-CB 3.91Å; Y204-W220 AromaticContact CD2-CD1 3.82Å; Y204-W220 AromaticContact CD2-CD2 3.4Å; Y204-W220 HydrophobicContact CD2-CD2 3.4Å; Y204-W220 VanDerWaalsContact CD2-CD2 3.4Å; Y204-W220 AromaticContact CD2-CE2 3.79Å; Y204-W220 AromaticContact CD2-CE3 3.75Å; Y204-W220 HydrophobicContact CD2-CE3 3.75Å; Y204-W220 AromaticContact CD2-CG 3.47Å; Y204-W220 HydrophobicContact CD2-CG 3.47Å; Y204-W220 VanDerWaalsContact CD2-CG 3.47Å; Y204-W220 HydrophobicContact CD2-CZ2 4.43Å; Y204-W220 HydrophobicContact CD2-CZ3 4.36Å; Y204-W220 AromaticContact CE1-CE3 3.99Å; Y204-W220 HydrophobicContact CE1-CE3 3.99Å; Y204-W220 HydrophobicContact CE1-CZ3 4.01Å; Y204-W220 HydrophobicContact CE2-CB 3.71Å; Y204-W220 AromaticContact CE2-CD2 3.79Å; Y204-W220 HydrophobicContact CE2-CD2 3.79Å; Y204-W220 AromaticContact CE2-CE3 3.8Å; Y204-W220 HydrophobicContact CE2-CE3 3.8Å; Y204-W220 AromaticContact CE2-CG 3.77Å; Y204-W220 HydrophobicContact CE2-CG 3.77Å; Y204-W220 AromaticContact CG-CD2 3.68Å; Y204-W220 HydrophobicContact CG-CD2 3.68Å; Y204-W220 AromaticContact CG-CE2 3.72Å; Y204-W220 AromaticContact CG-CE3 3.83Å; Y204-W220 HydrophobicContact CG-CE3 3.83Å; Y204-W220 HydrophobicContact CG-CG 4.22Å; Y204-W220 AromaticContact CG-CH2 3.98Å; Y204-W220 HydrophobicContact CG-CH2 3.98Å; Y204-W220 AromaticContact CG-CZ2 3.89Å; Y204-W220 HydrophobicContact CG-CZ2 3.89Å; Y204-W220 AromaticContact CG-CZ3 3.96Å; Y204-W220 HydrophobicContact CG-CZ3 3.96Å; Y204-W220 AromaticContact CZ-CE3 3.9Å; Y204-V233 HydrophobicContact CD1-CG1 3.77Å; Y204-V233 HydrophobicContact CE1-CG1 3.65Å
205	G	98.9	Very high	98.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.3	-46.8	-177.9	0	0	0	0	0	115	Y153 V201 A202 V203 N207 N208 A209	Y153-G205 WeakPolarHBondContact CE2-O 3.28Å; Y153-G205 VanDerWaalsContact CG-CA 3.48Å; Y153-G205 VanDerWaalsContact CZ-CA 3.43Å; V201-G205 PolarHBondContact O-N 3.23Å; A202-G205 CarbonylContact O-C 3.58Å; A202-G205 WeakPolarHBondContact O-CA 3.41Å; A202-G205 PolarHBondContact O-N 3.46Å; V203-G205 VanDerWaalsContact C-N 3.27Å; V203-G205 PolarHBondContact O-N 2.98Å; G205-N207 VanDerWaalsContact C-N 3.31Å; G205-N207 PolarHBondContact O-N 3.22Å; G205-N208 PolarHBondContact O-N 3.29Å; G205-A209 WeakPolarHBondContact O-CB 3.03Å; G205-A209 PolarHBondContact O-N 3.06Å
206	W	98.9	Very high	98.9	Very high	29 Å²	29	7.2 Å²	7.2	11%	0.11	4%	0.035	C	C	.	.	H	α-helix	trans	-58.5	-44	175.3	-61.1	-35.7	0	0	0	111.2	E152 A202 V203 I210 E510	E152-W206 HydrophobicContact CB-CZ2 4.49Å; A202-W206 HydrophobicContact CB-CH2 4.35Å; A202-W206 HydrophobicContact CB-CZ2 4Å; A202-W206 VanDerWaalsContact O-CG 3.31Å; A202-W206 PolarHBondContact O-N 3.04Å; V203-W206 HydrophobicContact CG2-CE3 4.22Å; V203-W206 HydrophobicContact CG2-CZ3 3.97Å; W206-I210 VanDerWaalsContact O-CG1 3.26Å; W206-I210 WeakPolarHBondContact O-CG1 3.48Å; W206-E510 HydrophobicContact CB-CB 4.45Å
207	N	98.9	Very high	98.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-68.3	-45.7	176	-78.3	-85.2	0	0	0	112.1	I193 V203 Y204 G205 A211 S274 E510 Y519	I193-N207 HydrophobicContact CD1-CB 3.71Å; I193-N207 HydrophobicContact CG1-CB 4.11Å; I193-N207 HydrophobicContact CG2-CB 4.11Å; V203-N207 PolarHBondContact O-N 3.03Å; V203-N207 PolarHBondContact O-ND2 2.94Å; Y204-N207 PolarHBondContact O-N 3.31Å; G205-N207 VanDerWaalsContact C-N 3.31Å; G205-N207 PolarHBondContact O-N 3.22Å; N207-A211 WeakPolarHBondContact O-CB 3.45Å; N207-A211 PolarHBondContact O-N 2.72Å; N207-S274 PolarHBondContact ND2-OG 3.23Å; N207-S274 WeakPolarHBondContact OD1-CB 3.47Å; N207-S274 PolarHBondContact OD1-OG 3.44Å; N207-E510 PolarHBondContact ND2-OE1 3.13Å; N207-Y519 PolarHBondContact OD1-OH 3.19Å
208	N	98.9	Very high	98.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-63.2	-52.7	-175	178.4	-96	0	0	0	111.6	Y153 Y204 G205 I210 A211 M212 C251	Y153-N208 VanDerWaalsContact OH-CG 3.31Å; Y153-N208 PolarHBondContact OH-OD1 3.4Å; Y204-N208 HydrophobicContact CD1-CB 4.46Å; Y204-N208 HydrophobicContact CD2-CB 4.44Å; Y204-N208 HydrophobicContact CE1-CB 4.08Å; Y204-N208 HydrophobicContact CE2-CB 4.04Å; Y204-N208 WeakPolarHBondContact O-CB 3.49Å; Y204-N208 PolarHBondContact O-N 3.2Å; Y204-N208 PolarHBondContact OH-ND2 2.73Å; Y204-N208 VanDerWaalsContact OH-ND2 3.15Å; G205-N208 PolarHBondContact O-N 3.29Å; N208-I210 VanDerWaalsContact C-N 3.31Å; N208-I210 PolarHBondContact O-N 3.2Å; N208-A211 PolarHBondContact O-N 3.46Å; N208-M212 VanDerWaalsContact O-CB 3.26Å; N208-M212 WeakPolarHBondContact O-CB 3.43Å; N208-M212 VanDerWaalsContact O-CG 3.27Å; N208-M212 WeakPolarHBondContact O-CG 3.34Å; N208-M212 PolarHBondContact O-N 2.78Å; N208-M212 PolarHBondContact OD1-SD 2.63Å; N208-C251 PolarHBondContact ND2-SG 3.3Å; N208-C251 VanDerWaalsContact ND2-SG 3.4Å
209	A	98.9	Very high	98.9	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-58.4	-44	-176.7	0	0	0	0	0	111.8	V117 Y153 V156 A160 G205 T213	V117-A209 HydrophobicContact CG1-CB 3.95Å; Y153-A209 HydrophobicContact CE2-CB 4.45Å; V156-A209 HydrophobicContact CG1-CB 4Å; V156-A209 HydrophobicContact CG2-CB 4.41Å; A160-A209 HydrophobicContact CB-CB 4Å; G205-A209 WeakPolarHBondContact O-CB 3.03Å; G205-A209 PolarHBondContact O-N 3.06Å; A209-T213 VanDerWaalsContact O-CB 3.27Å; A209-T213 WeakPolarHBondContact O-CB 3.18Å; A209-T213 PolarHBondContact O-N 3.11Å; A209-T213 VanDerWaalsContact O-N 3.17Å; A209-T213 PolarHBondContact O-OG1 3.2Å
210	I	98.9	Very high	98.9	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-73.2	-46.5	179.9	-56.7	-59.5	0	0	0	111.1	V156 Y159 A160 L163 W206 N208 M212 T213 C214 W516 Y519	V156-I210 HydrophobicContact CG2-CD1 4.46Å; Y159-I210 HydrophobicContact CD1-CD1 4.21Å; Y159-I210 HydrophobicContact CE1-CD1 4.25Å; A160-I210 HydrophobicContact CB-CD1 4.29Å; L163-I210 HydrophobicContact CD2-CD1 3.78Å; W206-I210 VanDerWaalsContact O-CG1 3.26Å; W206-I210 WeakPolarHBondContact O-CG1 3.48Å; N208-I210 VanDerWaalsContact C-N 3.31Å; N208-I210 PolarHBondContact O-N 3.2Å; I210-M212 PolarHBondContact O-N 3.07Å; I210-T213 PolarHBondContact O-N 2.98Å; I210-C214 WeakPolarHBondContact O-CB 3.38Å; I210-C214 PolarHBondContact O-N 3.19Å; I210-C214 PolarHBondContact O-SG 3.3Å; I210-W516 HydrophobicContact CG2-CB 3.8Å; I210-Y519 HydrophobicContact CB-CE2 4.36Å; I210-Y519 HydrophobicContact CG2-CD2 3.64Å; I210-Y519 HydrophobicContact CG2-CE2 3.81Å; I210-Y519 HydrophobicContact CG2-CG 4.22Å
211	A	98.9	Very high	98.9	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.01	C	C	.	.	H	α-helix	trans	-61.1	-45.7	179.9	0	0	0	0	0	112	V191 N207 N208 C214 G215 N216 Y519	V191-A211 HydrophobicContact CB-CB 4.34Å; V191-A211 HydrophobicContact CG1-CB 4.49Å; V191-A211 HydrophobicContact CG2-CB 4.09Å; N207-A211 WeakPolarHBondContact O-CB 3.45Å; N207-A211 PolarHBondContact O-N 2.72Å; N208-A211 PolarHBondContact O-N 3.46Å; A211-C214 PolarHBondContact O-N 2.94Å; A211-G215 PolarHBondContact O-N 2.98Å; A211-N216 HydrophobicContact CB-CB 4.27Å; A211-N216 WeakPolarHBondContact O-CB 3.4Å; A211-N216 PolarHBondContact O-N 3.38Å; A211-N216 PolarHBondContact O-ND2 3.19Å; A211-N216 VanDerWaalsContact O-ND2 3.09Å; A211-Y519 HydrophobicContact CB-CD1 3.8Å; A211-Y519 HydrophobicContact CB-CE1 4.22Å
212	M	98.9	Very high	98.9	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-61.1	-47.9	176.9	-75.5	-172.3	74.5	0	0	111.5	W105 I116 V117 I120 N208 I210 C214 G215 L241 I250 C251	W105-M212 HydrophobicContact CH2-CE 4.05Å; W105-M212 HydrophobicContact CZ2-CB 4.06Å; W105-M212 HydrophobicContact CZ2-CE 3.85Å; W105-M212 WeakPolarHBondContact CZ2-O 3.38Å; W105-M212 PolarHBondContact NE1-O 3.48Å; I116-M212 HydrophobicContact CG2-CE 3.98Å; V117-M212 HydrophobicContact CG2-CB 3.82Å; V117-M212 HydrophobicContact CG2-SD 4.39Å; I120-M212 HydrophobicContact CD1-CE 3.9Å; I120-M212 HydrophobicContact CD1-SD 3.76Å; N208-M212 VanDerWaalsContact O-CB 3.26Å; N208-M212 WeakPolarHBondContact O-CB 3.43Å; N208-M212 VanDerWaalsContact O-CG 3.27Å; N208-M212 WeakPolarHBondContact O-CG 3.34Å; N208-M212 PolarHBondContact O-N 2.78Å; N208-M212 PolarHBondContact OD1-SD 2.63Å; I210-M212 PolarHBondContact O-N 3.07Å; M212-C214 VanDerWaalsContact C-N 3.26Å; M212-C214 PolarHBondContact O-N 3.34Å; M212-G215 PolarHBondContact O-N 3.01Å; M212-L241 HydrophobicContact CE-CD2 4.22Å; M212-I250 HydrophobicContact CE-CG2 4.01Å; M212-C251 PolarHBondContact SD-SG 2.8Å
213	T	98.9	Very high	98.9	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-58.3	-40.9	177.2	-65.6	0	0	0	0	111.6	R113 S164 A209 I210 G215	R113-T213 PolarHBondContact NE-O 2.88Å; R113-T213 PolarHBondContact NH2-O 2.98Å; S164-T213 VanDerWaalsContact CA-CG2 3.41Å; S164-T213 VanDerWaalsContact CB-CG2 3.48Å; A209-T213 VanDerWaalsContact O-CB 3.27Å; A209-T213 WeakPolarHBondContact O-CB 3.18Å; A209-T213 PolarHBondContact O-N 3.11Å; A209-T213 VanDerWaalsContact O-N 3.17Å; A209-T213 PolarHBondContact O-OG1 3.2Å; I210-T213 PolarHBondContact O-N 2.98Å; T213-G215 PolarHBondContact O-N 2.9Å
214	C	98.9	Very high	98.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.8	175.5	-67.8	0	0	0	0	114.4	P187 I210 A211 M212 N216 M520	P187-C214 WeakPolarHBondContact CB-O 3.46Å; I210-C214 WeakPolarHBondContact O-CB 3.38Å; I210-C214 PolarHBondContact O-N 3.19Å; I210-C214 PolarHBondContact O-SG 3.3Å; A211-C214 PolarHBondContact O-N 2.94Å; M212-C214 VanDerWaalsContact C-N 3.26Å; M212-C214 PolarHBondContact O-N 3.34Å; C214-N216 WeakPolarHBondContact CB-ND2 3.35Å; C214-M520 HydrophobicContact CB-CG 3.62Å; C214-M520 HydrophobicContact CB-SD 3.94Å
215	G	98.9	Very high	98.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	19.8	177.4	0	0	0	0	0	114.4	W102 R113 P187 A211 M212 T213	W102-G215 PolarHBondContact NE1-O 3.02Å; W102-G215 VanDerWaalsContact NE1-O 3.1Å; R113-G215 VanDerWaalsContact NE-CA 3.34Å; P187-G215 VanDerWaalsContact CB-O 3.3Å; P187-G215 WeakPolarHBondContact CB-O 3.34Å; A211-G215 PolarHBondContact O-N 2.98Å; M212-G215 PolarHBondContact O-N 3.01Å; T213-G215 PolarHBondContact O-N 2.9Å
216	N	99	Very high	98.8	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.049	C	C	.	.			trans	-96.3	155.1	176.2	-52.9	-70.4	0	0	0	111.4	W105 P187 V188 G189 V191 A211 C214 Y519	W105-N216 PolarHBondContact NE1-O 3.21Å; P187-N216 VanDerWaalsContact CB-OD1 3.29Å; P187-N216 WeakPolarHBondContact CB-OD1 3.3Å; V188-N216 VanDerWaalsContact CG2-OD1 3.26Å; V188-N216 WeakPolarHBondContact CG2-OD1 3.35Å; V188-N216 PolarHBondContact N-OD1 2.68Å; G189-N216 PolarHBondContact N-OD1 2.86Å; G189-N216 VanDerWaalsContact O-CA 3.27Å; G189-N216 WeakPolarHBondContact O-CA 3.43Å; G189-N216 WeakPolarHBondContact O-CB 3.29Å; V191-N216 HydrophobicContact CG2-CB 3.68Å; A211-N216 HydrophobicContact CB-CB 4.27Å; A211-N216 WeakPolarHBondContact O-CB 3.4Å; A211-N216 PolarHBondContact O-N 3.38Å; A211-N216 PolarHBondContact O-ND2 3.19Å; A211-N216 VanDerWaalsContact O-ND2 3.09Å; C214-N216 WeakPolarHBondContact CB-ND2 3.35Å; N216-Y519 PolarHBondContact ND2-O 3.09Å; N216-Y519 PolarHBondContact OD1-O 2.77Å
217	V	99	Very high	98.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	154.5	163.8	-62.6	0	0	0	0	109.5	A98 W102 W105 G189 L190 V191 I250	A98-V217 HydrophobicContact CB-CG2 4.25Å; A98-V217 WeakPolarHBondContact O-CG2 3.11Å; W102-V217 HydrophobicContact CB-CB 4.48Å; W102-V217 HydrophobicContact CB-CG1 3.74Å; W102-V217 HydrophobicContact CB-CG2 3.88Å; W102-V217 HydrophobicContact CG-CG1 4.45Å; W102-V217 HydrophobicContact CG-CG2 4.47Å; W105-V217 HydrophobicContact CB-CG1 4.25Å; W105-V217 HydrophobicContact CG-CG1 4.43Å; G189-V217 PolarHBondContact O-N 2.99Å; L190-V217 HydrophobicContact CB-CG2 4.08Å; L190-V217 HydrophobicContact CD1-CG2 3.78Å; V191-V217 PolarHBondContact N-O 3.42Å; V217-I250 CarbonylContact C-O 3.58Å; V217-I250 WeakPolarHBondContact CA-O 3.48Å; V217-I250 HydrophobicContact CG1-CB 4.29Å; V217-I250 HydrophobicContact CG1-CG1 4.1Å; V217-I250 HydrophobicContact CG1-CG2 4.34Å
218	C	99	Very high	98.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140	-175.4	-60.2	0	0	0	0	111.2	V191 I193 I250 S252	V191-C218 CarbonylContact O-C 3.57Å; V191-C218 WeakPolarHBondContact O-CA 3.39Å; I193-C218 HydrophobicContact CD1-CB 4Å; C218-I250 PolarHBondContact N-O 2.69Å; C218-S252 PolarHBondContact O-N 3.15Å
219	L	99	Very high	98.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	111.2	165.8	173.7	58.2	0	0	0	109.4	Y91 T94 V95 L190 V191 G192 I193 T254 M264	Y91-L219 HydrophobicContact CD2-CD2 4.22Å; Y91-L219 HydrophobicContact CE2-CD2 3.75Å; T94-L219 HydrophobicContact CG2-CD1 3.65Å; V95-L219 HydrophobicContact CG2-CD2 3.76Å; L190-L219 HydrophobicContact CD1-CB 3.86Å; V191-L219 PolarHBondContact O-N 3.22Å; G192-L219 CarbonylContact C-O 3.55Å; G192-L219 WeakPolarHBondContact CA-O 3.38Å; I193-L219 PolarHBondContact N-O 3.28Å; L219-T254 HydrophobicContact CD1-CG2 3.93Å; L219-M264 HydrophobicContact CG-CE 4.34Å; L219-M264 WeakPolarHBondContact O-CE 3.49Å
220	W	98.9	Very high	98.8	Very high	1 Å²	1	7 Å²	7	0%	0.004	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	-177.1	-174.2	25.7	0	0	0	112.4	I193 T195 P200 Y204 S230 V233 S252 L253 T254	I193-W220 WeakPolarHBondContact O-CA 3.25Å; T195-W220 PolarHBondContact OG1-NE1 3.11Å; P200-W220 WeakPolarHBondContact O-CH2 3.36Å; P200-W220 WeakPolarHBondContact O-CZ2 3.44Å; Y204-W220 HydrophobicContact CD1-CD2 4.3Å; Y204-W220 AromaticContact CD1-CE3 3.96Å; Y204-W220 HydrophobicContact CD1-CE3 3.96Å; Y204-W220 AromaticContact CD1-CH2 3.98Å; Y204-W220 HydrophobicContact CD1-CH2 3.98Å; Y204-W220 HydrophobicContact CD1-CZ2 4.37Å; Y204-W220 AromaticContact CD1-CZ3 3.79Å; Y204-W220 HydrophobicContact CD1-CZ3 3.79Å; Y204-W220 HydrophobicContact CD2-CB 3.91Å; Y204-W220 AromaticContact CD2-CD1 3.82Å; Y204-W220 AromaticContact CD2-CD2 3.4Å; Y204-W220 HydrophobicContact CD2-CD2 3.4Å; Y204-W220 VanDerWaalsContact CD2-CD2 3.4Å; Y204-W220 AromaticContact CD2-CE2 3.79Å; Y204-W220 AromaticContact CD2-CE3 3.75Å; Y204-W220 HydrophobicContact CD2-CE3 3.75Å; Y204-W220 AromaticContact CD2-CG 3.47Å; Y204-W220 HydrophobicContact CD2-CG 3.47Å; Y204-W220 VanDerWaalsContact CD2-CG 3.47Å; Y204-W220 HydrophobicContact CD2-CZ2 4.43Å; Y204-W220 HydrophobicContact CD2-CZ3 4.36Å; Y204-W220 AromaticContact CE1-CE3 3.99Å; Y204-W220 HydrophobicContact CE1-CE3 3.99Å; Y204-W220 HydrophobicContact CE1-CZ3 4.01Å; Y204-W220 HydrophobicContact CE2-CB 3.71Å; Y204-W220 AromaticContact CE2-CD2 3.79Å; Y204-W220 HydrophobicContact CE2-CD2 3.79Å; Y204-W220 AromaticContact CE2-CE3 3.8Å; Y204-W220 HydrophobicContact CE2-CE3 3.8Å; Y204-W220 AromaticContact CE2-CG 3.77Å; Y204-W220 HydrophobicContact CE2-CG 3.77Å; Y204-W220 AromaticContact CG-CD2 3.68Å; Y204-W220 HydrophobicContact CG-CD2 3.68Å; Y204-W220 AromaticContact CG-CE2 3.72Å; Y204-W220 AromaticContact CG-CE3 3.83Å; Y204-W220 HydrophobicContact CG-CE3 3.83Å; Y204-W220 HydrophobicContact CG-CG 4.22Å; Y204-W220 AromaticContact CG-CH2 3.98Å; Y204-W220 HydrophobicContact CG-CH2 3.98Å; Y204-W220 AromaticContact CG-CZ2 3.89Å; Y204-W220 HydrophobicContact CG-CZ2 3.89Å; Y204-W220 AromaticContact CG-CZ3 3.96Å; Y204-W220 HydrophobicContact CG-CZ3 3.96Å; Y204-W220 AromaticContact CZ-CE3 3.9Å; W220-S230 VanDerWaalsContact CH2-CA 3.47Å; W220-S230 WeakPolarHBondContact CZ3-O 3.32Å; W220-V233 HydrophobicContact CH2-CB 4.08Å; W220-V233 HydrophobicContact CH2-CG1 4.21Å; W220-V233 HydrophobicContact CH2-CG2 4.46Å; W220-V233 HydrophobicContact CZ3-CB 3.86Å; W220-V233 HydrophobicContact CZ3-CG1 3.84Å; W220-S252 PolarHBondContact N-O 3.33Å; W220-L253 HydrophobicContact CB-CD1 4.31Å; W220-L253 HydrophobicContact CD2-CD1 4.12Å; W220-L253 HydrophobicContact CE3-CD1 3.91Å; W220-L253 HydrophobicContact CG-CD1 4.32Å; W220-T254 PolarHBondContact O-N 2.64Å
221	K	98.9	Very high	98.8	Very high	11 Å²	11	7 Å²	7	5%	0.048	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	94.5	164.4	-170.2	-140.2	82.8	66.3	0	109.7	I193 I194 T195 T254 G256 G257 I260 M264	I193-K221 PolarHBondContact O-N 3.1Å; I194-K221 WeakPolarHBondContact CA-O 3.45Å; I194-K221 HydrophobicContact CG1-CB 4.36Å; T195-K221 PolarHBondContact N-O 3.12Å; K221-T254 VanDerWaalsContact CG-O 3.29Å; K221-T254 WeakPolarHBondContact CG-O 3.47Å; K221-G256 PolarHBondContact NZ-O 3.49Å; K221-G257 WeakPolarHBondContact CD-O 3.42Å; K221-I260 HydrophobicContact CB-CG2 4.28Å; K221-I260 HydrophobicContact CD-CB 3.95Å; K221-I260 HydrophobicContact CD-CG2 3.86Å; K221-I260 HydrophobicContact CG-CB 4.22Å; K221-I260 HydrophobicContact CG-CG2 3.76Å; K221-M264 HydrophobicContact CB-CE 4.4Å; K221-M264 HydrophobicContact CB-SD 3.68Å; K221-M264 HydrophobicContact CD-SD 4.46Å; K221-M264 HydrophobicContact CG-SD 4.5Å
222	G	98.7	Very high	98.8	Very high	3 Å²	3	7 Å²	7	3%	0.031	5%	0.045	C	C	.	.			trans	-65.7	174.3	176.3	0	0	0	0	0	114
223	A	98.5	Very high	98.8	Very high	9 Å²	9	7 Å²	7	7%	0.074	5%	0.045	C	C	.	.			trans	-65.5	139.9	174.6	0	0	0	0	0	111	T195 F197 T225 T226	T195-A223 PolarHBondContact O-N 2.88Å; F197-A223 HydrophobicContact CB-CB 3.83Å; A223-T225 PolarHBondContact O-N 3.07Å; A223-T226 PolarHBondContact O-N 2.91Å; A223-T226 VanDerWaalsContact O-N 3.08Å
224	P	97.6	Very high	98.8	Very high	60 Å²	60	7.1 Å²	7.1	39%	0.39	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.7	-177.5	-24.3	35.1	0	0	0	114.9	P227	P224-P227 WeakPolarHBondContact O-CD 3.38Å
225	T	98.8	Very high	98.8	Very high	60 Å²	60	10 Å²	10	37%	0.368	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-3.7	-179.3	52.1	0	0	0	0	113.7	A223 H376	A223-T225 PolarHBondContact O-N 3.07Å; T225-H376 WeakPolarHBondContact CB-NE2 3.13Å; T225-H376 PolarHBondContact OG1-NE2 3.01Å
226	T	98.9	Very high	98.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.			trans	-124.2	44.5	170.2	61.8	0	0	0	0	113	E138 M139 F197 P200 A223 S230	E138-T226 VanDerWaalsContact CD-CA 3.46Å; E138-T226 WeakPolarHBondContact OE2-CA 3.37Å; M139-T226 HydrophobicContact CB-CG2 4.29Å; F197-T226 HydrophobicContact CB-CG2 4.2Å; P200-T226 HydrophobicContact CB-CG2 4.1Å; P200-T226 HydrophobicContact CG-CG2 4.38Å; A223-T226 PolarHBondContact O-N 2.91Å; A223-T226 VanDerWaalsContact O-N 3.08Å; T226-S230 PolarHBondContact O-N 2.93Å; T226-S230 PolarHBondContact O-OG 2.93Å
227	P	98.8	Very high	98.8	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.013	6%	0.061	C	C	.	.	H	α-helix	trans	-74.3	-27.8	-172.7	34.5	-38.7	0	0	0	112.4	V69 V83 E138 P224 S230 V231	V69-P227 HydrophobicContact CG2-CG 4.15Å; V83-P227 HydrophobicContact CB-CB 4.03Å; V83-P227 HydrophobicContact CB-CG 4.28Å; V83-P227 HydrophobicContact CG1-CB 4.26Å; V83-P227 HydrophobicContact CG2-CB 3.77Å; V83-P227 HydrophobicContact CG2-CG 3.83Å; E138-P227 VanDerWaalsContact OE1-CD 3.26Å; E138-P227 WeakPolarHBondContact OE1-CD 3.28Å; P224-P227 WeakPolarHBondContact O-CD 3.38Å; P227-S230 WeakPolarHBondContact O-CB 3.49Å; P227-S230 PolarHBondContact O-N 3.3Å; P227-V231 WeakPolarHBondContact O-CG2 3.42Å; P227-V231 PolarHBondContact O-N 3.47Å
228	L	98.9	Very high	98.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-69.1	-40.3	178.5	-59.3	169.1	0	0	0	110.7	L50 N54 I80 A81 V83 L134 E138 S230 V231 A232	L50-L228 HydrophobicContact CD1-CB 4.18Å; L50-L228 HydrophobicContact CD2-CD2 4.35Å; N54-L228 WeakPolarHBondContact ND2-CD2 3.45Å; I80-L228 HydrophobicContact CB-CD1 3.81Å; I80-L228 HydrophobicContact CD1-CD1 4.47Å; I80-L228 HydrophobicContact CG2-CD1 3.53Å; A81-L228 HydrophobicContact CB-CD1 3.94Å; A81-L228 HydrophobicContact CB-CD2 3.83Å; V83-L228 HydrophobicContact CG2-CD2 3.58Å; V83-L228 HydrophobicContact CG2-CG 4.22Å; L134-L228 HydrophobicContact CD1-CB 4.24Å; E138-L228 WeakPolarHBondContact OE1-CB 3.44Å; E138-L228 VanDerWaalsContact OE1-CG 3.29Å; E138-L228 WeakPolarHBondContact OE1-CG 3.36Å; E138-L228 PolarHBondContact OE1-N 3.35Å; E138-L228 PolarHBondContact OE2-N 2.76Å; L228-S230 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 3.44Å; L228-V231 PolarHBondContact O-N 3.39Å; L228-A232 WeakPolarHBondContact O-CB 3.44Å; L228-A232 PolarHBondContact O-N 3.35Å
229	T	98.9	Very high	98.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.8	-42.7	172.6	-58.1	0	0	0	0	110.7	V135 E138 P200 V201 V231 A232 V233	V135-T229 HydrophobicContact CG2-CG2 4.02Å; E138-T229 VanDerWaalsContact OE2-CB 3.27Å; E138-T229 WeakPolarHBondContact OE2-CB 3.44Å; E138-T229 PolarHBondContact OE2-N 2.92Å; E138-T229 PolarHBondContact OE2-OG1 3.33Å; P200-T229 HydrophobicContact CB-CG2 3.86Å; P200-T229 HydrophobicContact CG-CG2 3.95Å; V201-T229 HydrophobicContact CG2-CG2 3.49Å; V201-T229 VanDerWaalsContact CG2-CG2 3.49Å; T229-V231 PolarHBondContact O-N 2.82Å; T229-A232 PolarHBondContact O-N 3.25Å; T229-V233 HydrophobicContact CG2-CG2 4.46Å; T229-V233 WeakPolarHBondContact O-CG2 3.32Å; T229-V233 PolarHBondContact O-N 2.84Å
230	S	98.9	Very high	98.8	Very high	1 Å²	1	16 Å²	16	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-62.3	-43.9	178	-52.6	0	0	0	0	112	W220 T226 P227 L228 T234	W220-S230 VanDerWaalsContact CH2-CA 3.47Å; W220-S230 WeakPolarHBondContact CZ3-O 3.32Å; T226-S230 PolarHBondContact O-N 2.93Å; T226-S230 PolarHBondContact O-OG 2.93Å; P227-S230 WeakPolarHBondContact O-CB 3.49Å; P227-S230 PolarHBondContact O-N 3.3Å; L228-S230 VanDerWaalsContact C-N 3.29Å; L228-S230 PolarHBondContact O-N 3.44Å; S230-T234 VanDerWaalsContact O-CB 3.32Å; S230-T234 WeakPolarHBondContact O-CB 3.29Å; S230-T234 PolarHBondContact O-N 3.33Å; S230-T234 PolarHBondContact O-OG1 3.3Å
231	V	98.9	Very high	98.8	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-64	-46.2	175.1	169.5	0	0	0	0	111.2	L50 N54 W62 V83 P227 L228 T229 T234 K235 L253	L50-V231 HydrophobicContact CD2-CB 4.25Å; L50-V231 HydrophobicContact CD2-CG1 3.81Å; N54-V231 HydrophobicContact CB-CG1 4.35Å; W62-V231 HydrophobicContact CH2-CG1 3.99Å; W62-V231 HydrophobicContact CZ3-CG1 3.95Å; W62-V231 HydrophobicContact CZ3-CG2 4.4Å; V83-V231 HydrophobicContact CG1-CG2 4.12Å; P227-V231 WeakPolarHBondContact O-CG2 3.42Å; P227-V231 PolarHBondContact O-N 3.47Å; L228-V231 PolarHBondContact O-N 3.39Å; T229-V231 PolarHBondContact O-N 2.82Å; V231-T234 PolarHBondContact O-N 3.23Å; V231-K235 HydrophobicContact CG1-CD 4.08Å; V231-K235 VanDerWaalsContact CG1-CE 3.44Å; V231-K235 HydrophobicContact CG1-CG 4.48Å; V231-K235 WeakPolarHBondContact O-CG 3.17Å; V231-K235 PolarHBondContact O-N 2.92Å; V231-L253 HydrophobicContact CG2-CD2 4.13Å
232	A	98.9	Very high	98.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-46.9	-178.2	0	0	0	0	0	112.2	L48 L131 L134 L228 T229 T234 K235 I236	L48-A232 HydrophobicContact CB-CB 4.11Å; L48-A232 HydrophobicContact CD1-CB 4.24Å; L131-A232 HydrophobicContact CD1-CB 4.09Å; L134-A232 HydrophobicContact CD2-CB 3.63Å; L228-A232 WeakPolarHBondContact O-CB 3.44Å; L228-A232 PolarHBondContact O-N 3.35Å; T229-A232 PolarHBondContact O-N 3.25Å; A232-T234 VanDerWaalsContact C-N 3.33Å; A232-T234 PolarHBondContact O-N 3.19Å; A232-K235 PolarHBondContact O-N 3.27Å; A232-I236 WeakPolarHBondContact O-CG1 3.49Å; A232-I236 PolarHBondContact O-N 3.43Å
233	V	98.9	Very high	98.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-44.2	174.9	170.6	0	0	0	0	110.8	L131 Y153 V201 Y204 W220 T229 K235 I236 V237	L131-V233 HydrophobicContact CD1-CG2 4.15Å; L131-V233 HydrophobicContact CD2-CG2 3.96Å; Y153-V233 HydrophobicContact CE1-CG1 4.14Å; V201-V233 HydrophobicContact CB-CG2 4.48Å; V201-V233 HydrophobicContact CG1-CG2 4.12Å; V201-V233 HydrophobicContact CG2-CG2 3.91Å; Y204-V233 HydrophobicContact CD1-CG1 3.77Å; Y204-V233 HydrophobicContact CE1-CG1 3.65Å; W220-V233 HydrophobicContact CH2-CB 4.08Å; W220-V233 HydrophobicContact CH2-CG1 4.21Å; W220-V233 HydrophobicContact CH2-CG2 4.46Å; W220-V233 HydrophobicContact CZ3-CB 3.86Å; W220-V233 HydrophobicContact CZ3-CG1 3.84Å; T229-V233 HydrophobicContact CG2-CG2 4.46Å; T229-V233 WeakPolarHBondContact O-CG2 3.32Å; T229-V233 PolarHBondContact O-N 2.84Å; V233-K235 VanDerWaalsContact C-N 3.32Å; V233-K235 PolarHBondContact O-N 3Å; V233-I236 PolarHBondContact O-N 2.98Å; V233-V237 WeakPolarHBondContact O-CG2 3.28Å; V233-V237 PolarHBondContact O-N 3.41Å
234	T	98.9	Very high	98.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-37.7	179.4	-58.7	0	0	0	0	111.8	Y58 W62 S230 V231 A232 I236 V237 A238 L253	Y58-T234 HydrophobicContact CD1-CG2 3.75Å; Y58-T234 HydrophobicContact CG-CG2 3.92Å; W62-T234 HydrophobicContact CH2-CG2 3.77Å; W62-T234 HydrophobicContact CZ2-CG2 4.08Å; S230-T234 VanDerWaalsContact O-CB 3.32Å; S230-T234 WeakPolarHBondContact O-CB 3.29Å; S230-T234 PolarHBondContact O-N 3.33Å; S230-T234 PolarHBondContact O-OG1 3.3Å; V231-T234 PolarHBondContact O-N 3.23Å; A232-T234 VanDerWaalsContact C-N 3.33Å; A232-T234 PolarHBondContact O-N 3.19Å; T234-I236 PolarHBondContact O-N 2.91Å; T234-V237 PolarHBondContact O-N 3.04Å; T234-A238 WeakPolarHBondContact O-CB 3.45Å; T234-A238 PolarHBondContact O-N 3.49Å; T234-L253 HydrophobicContact CG2-CB 3.85Å; T234-L253 HydrophobicContact CG2-CD2 4.22Å
235	K	98.9	Very high	98.9	Very high	60 Å²	60	32.2 Å²	32.2	26%	0.261	16%	0.162	S	C	.	.	H	α-helix	trans	-60.3	-43.7	173.7	-75.2	171.3	-178.9	-87.8	0	112.4	L48 G49 W62 V231 A232 V233 A238 E239	L48-K235 VanDerWaalsContact O-CD 3.31Å; L48-K235 WeakPolarHBondContact O-CD 3.33Å; G49-K235 WeakPolarHBondContact O-CE 3.42Å; G49-K235 PolarHBondContact O-NZ 3.41Å; W62-K235 HydrophobicContact CH2-CG 3.71Å; W62-K235 HydrophobicContact CZ2-CB 4.26Å; W62-K235 HydrophobicContact CZ2-CD 4.47Å; W62-K235 HydrophobicContact CZ2-CG 3.33Å; V231-K235 HydrophobicContact CG1-CD 4.08Å; V231-K235 VanDerWaalsContact CG1-CE 3.44Å; V231-K235 HydrophobicContact CG1-CG 4.48Å; V231-K235 WeakPolarHBondContact O-CG 3.17Å; V231-K235 PolarHBondContact O-N 2.92Å; A232-K235 PolarHBondContact O-N 3.27Å; V233-K235 VanDerWaalsContact C-N 3.32Å; V233-K235 PolarHBondContact O-N 3Å; K235-A238 PolarHBondContact O-N 3.13Å; K235-E239 PolarHBondContact O-N 3.33Å; K235-E239 VanDerWaalsContact O-N 3.07Å
236	I	98.9	Very high	98.9	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.056	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-45.8	178.5	-64.9	166.6	0	0	0	110.5	A123 L124 K127 L131 A232 V233 T234	A123-I236 HydrophobicContact CB-CG2 3.61Å; L124-I236 HydrophobicContact CD2-CD1 4.26Å; L124-I236 HydrophobicContact CD2-CG2 4.17Å; L124-I236 HydrophobicContact CG-CG2 4.27Å; K127-I236 HydrophobicContact CB-CD1 3.95Å; K127-I236 HydrophobicContact CG-CD1 4.19Å; K127-I236 HydrophobicContact CG-CG1 4.44Å; L131-I236 HydrophobicContact CD2-CD1 4.11Å; A232-I236 WeakPolarHBondContact O-CG1 3.49Å; A232-I236 PolarHBondContact O-N 3.43Å; V233-I236 PolarHBondContact O-N 2.98Å; T234-I236 PolarHBondContact O-N 2.91Å
237	V	98.9	Very high	98.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-68.4	-41.8	179	175.6	0	0	0	0	111.7	I120 V233 T234 E239 V240 L241 C251	I120-V237 HydrophobicContact CD1-CG1 3.95Å; I120-V237 HydrophobicContact CG1-CG1 4.45Å; I120-V237 HydrophobicContact CG2-CG2 3.99Å; V233-V237 WeakPolarHBondContact O-CG2 3.28Å; V233-V237 PolarHBondContact O-N 3.41Å; T234-V237 PolarHBondContact O-N 3.04Å; V237-E239 VanDerWaalsContact C-N 3.34Å; V237-E239 PolarHBondContact O-N 3.36Å; V237-V240 PolarHBondContact O-N 2.9Å; V237-L241 HydrophobicContact CG1-CD1 4.3Å; V237-L241 PolarHBondContact O-N 3.44Å; V237-L241 VanDerWaalsContact O-N 3.14Å; V237-C251 HydrophobicContact CG1-CB 3.57Å
238	A	98.9	Very high	98.9	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-56.6	-46.5	177.7	0	0	0	0	0	111.8	Y58 T234 K235 V240 L241 E242	Y58-A238 HydrophobicContact CD1-CB 4.43Å; Y58-A238 HydrophobicContact CE1-CB 3.67Å; Y58-A238 HydrophobicContact CE2-CB 3.88Å; Y58-A238 VanDerWaalsContact OH-CB 3.28Å; Y58-A238 WeakPolarHBondContact OH-CB 3.5Å; T234-A238 WeakPolarHBondContact O-CB 3.45Å; T234-A238 PolarHBondContact O-N 3.49Å; K235-A238 PolarHBondContact O-N 3.13Å; A238-V240 VanDerWaalsContact C-N 3.29Å; A238-V240 PolarHBondContact O-N 2.94Å; A238-L241 PolarHBondContact O-N 2.87Å; A238-E242 WeakPolarHBondContact O-CB 3.44Å; A238-E242 VanDerWaalsContact O-CG 3.31Å; A238-E242 WeakPolarHBondContact O-CG 3.17Å; A238-E242 PolarHBondContact O-N 3.14Å
239	E	98.8	Very high	98.9	Very high	106 Å²	106	33.3 Å²	33.3	50%	0.495	17%	0.17	S	C	.	.	H	α-helix	trans	-57.2	-42.5	178.9	-172.2	-173.8	157.8	0	0	111.6	K235 V237 E242 Q243	K235-E239 PolarHBondContact O-N 3.33Å; K235-E239 VanDerWaalsContact O-N 3.07Å; V237-E239 VanDerWaalsContact C-N 3.34Å; V237-E239 PolarHBondContact O-N 3.36Å; E239-E242 PolarHBondContact O-N 3.31Å; E239-Q243 WeakPolarHBondContact O-CB 3.32Å; E239-Q243 WeakPolarHBondContact O-CG 3.42Å; E239-Q243 PolarHBondContact O-N 3.06Å; E239-Q243 PolarHBondContact OE1-NE2 3.07Å
240	V	98.9	Very high	98.9	Very high	4 Å²	4	33.3 Å²	33.3	2%	0.024	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-43.5	178.2	176.4	0	0	0	0	111.5	I116 Q119 I120 A123 V237 A238 Q243 N244	I116-V240 HydrophobicContact CG2-CG1 4.34Å; Q119-V240 HydrophobicContact CB-CG1 3.6Å; I120-V240 HydrophobicContact CG1-CB 4.16Å; I120-V240 HydrophobicContact CG1-CG1 4.01Å; I120-V240 HydrophobicContact CG1-CG2 4.35Å; A123-V240 HydrophobicContact CB-CG2 3.67Å; V237-V240 PolarHBondContact O-N 2.9Å; A238-V240 VanDerWaalsContact C-N 3.29Å; A238-V240 PolarHBondContact O-N 2.94Å; V240-Q243 PolarHBondContact O-N 2.94Å; V240-N244 PolarHBondContact O-N 3.34Å; V240-N244 PolarHBondContact O-ND2 3.37Å
241	L	98.9	Very high	98.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-44.1	177.8	-67.1	175.3	0	0	0	111.3	I116 M212 V237 A238 N244 N245 L246 I250 C251	I116-L241 HydrophobicContact CG2-CD2 3.95Å; M212-L241 HydrophobicContact CE-CD2 4.22Å; V237-L241 HydrophobicContact CG1-CD1 4.3Å; V237-L241 PolarHBondContact O-N 3.44Å; V237-L241 VanDerWaalsContact O-N 3.14Å; A238-L241 PolarHBondContact O-N 2.87Å; L241-N244 CarbonylContact O-C 3.57Å; L241-N244 PolarHBondContact O-N 3Å; L241-N245 PolarHBondContact O-N 3.25Å; L241-L246 HydrophobicContact CB-CB 4.42Å; L241-L246 HydrophobicContact CD2-CB 4.23Å; L241-L246 HydrophobicContact CD2-CD1 4.07Å; L241-L246 PolarHBondContact O-N 3.09Å; L241-I250 HydrophobicContact CD1-CB 4.16Å; L241-I250 HydrophobicContact CD2-CB 4.44Å; L241-I250 HydrophobicContact CD2-CD1 4.41Å; L241-I250 HydrophobicContact CD2-CG2 4.42Å; L241-C251 HydrophobicContact CD1-CB 3.88Å
242	E	98.7	Very high	98.9	Very high	100 Å²	100	33.3 Å²	33.3	47%	0.467	17%	0.171	S	C	.	.	H	α-helix	trans	-64.2	-42.6	179.1	-71.5	167.4	-163	0	0	111.7	Y58 A238 E239 N244 N245	Y58-E242 PolarHBondContact OH-OE1 3.15Å; A238-E242 WeakPolarHBondContact O-CB 3.44Å; A238-E242 VanDerWaalsContact O-CG 3.31Å; A238-E242 WeakPolarHBondContact O-CG 3.17Å; A238-E242 PolarHBondContact O-N 3.14Å; E239-E242 PolarHBondContact O-N 3.31Å; E242-N244 PolarHBondContact O-N 3.34Å; E242-N245 PolarHBondContact O-N 2.75Å
243	Q	98.8	Very high	98.9	Very high	119 Å²	119	33.3 Å²	33.3	56%	0.556	17%	0.171	S	C	*	.	H	α-helix	trans	-61.1	-26.6	175	-76.8	173.5	6.7	0	0	113.4	E239 V240	E239-Q243 WeakPolarHBondContact O-CB 3.32Å; E239-Q243 WeakPolarHBondContact O-CG 3.42Å; E239-Q243 PolarHBondContact O-N 3.06Å; E239-Q243 PolarHBondContact OE1-NE2 3.07Å; V240-Q243 PolarHBondContact O-N 2.94Å
244	N	98.8	Very high	98.9	Very high	53 Å²	53	33.3 Å²	33.3	28%	0.283	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	10.5	177.5	-72.7	-90	0	0	0	113	I116 Q119 V240 L241 E242 L246	I116-N244 HydrophobicContact CD1-CB 3.76Å; I116-N244 VanDerWaalsContact CD1-CG 3.44Å; I116-N244 WeakPolarHBondContact CD1-OD1 3.08Å; Q119-N244 PolarHBondContact OE1-ND2 3.14Å; V240-N244 PolarHBondContact O-N 3.34Å; V240-N244 PolarHBondContact O-ND2 3.37Å; L241-N244 CarbonylContact O-C 3.57Å; L241-N244 PolarHBondContact O-N 3Å; E242-N244 PolarHBondContact O-N 3.34Å; N244-L246 HydrophobicContact CB-CD1 4.08Å; N244-L246 HydrophobicContact CB-CG 4.14Å; N244-L246 PolarHBondContact O-N 2.77Å
245	N	98.7	Very high	98.8	Very high	154 Å²	154	33.4 Å²	33.4	82%	0.824	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	33.9	-177	-56.6	111.1	0	0	0	113.4	L241 E242	L241-N245 PolarHBondContact O-N 3.25Å; E242-N245 PolarHBondContact O-N 2.75Å
246	L	98.8	Very high	98.8	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.12	16%	0.16	C	C	.	.			trans	-96.3	148.9	177	-67.8	173.5	0	0	0	110.8	W105 I108 I116 L241 N244 G248 I250	W105-L246 HydrophobicContact CE3-CD1 4.4Å; W105-L246 HydrophobicContact CZ3-CD1 3.79Å; I108-L246 HydrophobicContact CD1-CD2 3.54Å; I116-L246 HydrophobicContact CD1-CD1 3.68Å; I116-L246 HydrophobicContact CG1-CD1 3.77Å; I116-L246 HydrophobicContact CG2-CD1 4.33Å; L241-L246 HydrophobicContact CB-CB 4.42Å; L241-L246 HydrophobicContact CD2-CB 4.23Å; L241-L246 HydrophobicContact CD2-CD1 4.07Å; L241-L246 PolarHBondContact O-N 3.09Å; N244-L246 HydrophobicContact CB-CD1 4.08Å; N244-L246 HydrophobicContact CB-CG 4.14Å; N244-L246 PolarHBondContact O-N 2.77Å; L246-G248 PolarHBondContact O-N 2.84Å; L246-G248 VanDerWaalsContact O-N 3.16Å; L246-I250 HydrophobicContact CB-CD1 3.96Å
247	P	98.8	Very high	98.7	Very high	50 Å²	50	31 Å²	31	33%	0.325	17%	0.166	S	C	.	.			trans	-60	120.1	173.9	-21.2	31.7	0	0	0	111	A101 A249 I250	A101-P247 HydrophobicContact CB-CB 3.76Å; A101-P247 HydrophobicContact CB-CG 4.35Å; P247-A249 PolarHBondContact O-N 3.48Å; P247-I250 WeakPolarHBondContact O-CB 3.26Å; P247-I250 WeakPolarHBondContact O-CD1 3.46Å; P247-I250 VanDerWaalsContact O-CG1 3.25Å; P247-I250 WeakPolarHBondContact O-CG1 3.19Å; P247-I250 PolarHBondContact O-N 3.46Å
248	G	98.7	Very high	98.7	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-58.9	-22.9	179.6	0	0	0	0	0	114.1	Y58 L246 I250 C251	Y58-G248 WeakPolarHBondContact CE1-O 3.28Å; Y58-G248 WeakPolarHBondContact OH-CA 3.33Å; L246-G248 PolarHBondContact O-N 2.84Å; L246-G248 VanDerWaalsContact O-N 3.16Å; G248-I250 PolarHBondContact O-N 3Å; G248-C251 CarbonylContact O-C 3.53Å; G248-C251 PolarHBondContact O-N 2.57Å
249	A	98.9	Very high	98.6	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.033	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-63.9	-8.1	175.2	0	0	0	0	0	114.5	K97 A101 P247 C251 S252	K97-A249 HydrophobicContact CB-CB 3.97Å; A101-A249 HydrophobicContact CB-CB 3.96Å; P247-A249 PolarHBondContact O-N 3.48Å; A249-C251 PolarHBondContact O-N 3.4Å; A249-S252 VanDerWaalsContact CA-OG 3.31Å; A249-S252 WeakPolarHBondContact CA-OG 3.33Å; A249-S252 PolarHBondContact O-OG 3.24Å
250	I	98.9	Very high	98.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-56.9	-35.9	167.6	-68.5	165.2	0	0	0	110.9	A101 W105 M212 V217 C218 L241 L246 P247 G248	A101-I250 HydrophobicContact CB-CG1 4.11Å; W105-I250 HydrophobicContact CB-CD1 4.08Å; W105-I250 HydrophobicContact CB-CG1 4.08Å; W105-I250 HydrophobicContact CD2-CD1 3.96Å; W105-I250 HydrophobicContact CD2-CG1 4.41Å; W105-I250 HydrophobicContact CD2-CG2 4.08Å; W105-I250 HydrophobicContact CE3-CD1 3.63Å; W105-I250 HydrophobicContact CG-CD1 4.17Å; W105-I250 HydrophobicContact CG-CG1 4.23Å; W105-I250 HydrophobicContact CG-CG2 4.24Å; W105-I250 HydrophobicContact CZ3-CD1 4.37Å; M212-I250 HydrophobicContact CE-CG2 4.01Å; V217-I250 CarbonylContact C-O 3.58Å; V217-I250 WeakPolarHBondContact CA-O 3.48Å; V217-I250 HydrophobicContact CG1-CB 4.29Å; V217-I250 HydrophobicContact CG1-CG1 4.1Å; V217-I250 HydrophobicContact CG1-CG2 4.34Å; C218-I250 PolarHBondContact N-O 2.69Å; L241-I250 HydrophobicContact CD1-CB 4.16Å; L241-I250 HydrophobicContact CD2-CB 4.44Å; L241-I250 HydrophobicContact CD2-CD1 4.41Å; L241-I250 HydrophobicContact CD2-CG2 4.42Å; L246-I250 HydrophobicContact CB-CD1 3.96Å; P247-I250 WeakPolarHBondContact O-CB 3.26Å; P247-I250 WeakPolarHBondContact O-CD1 3.46Å; P247-I250 VanDerWaalsContact O-CG1 3.25Å; P247-I250 WeakPolarHBondContact O-CG1 3.19Å; P247-I250 PolarHBondContact O-N 3.46Å; G248-I250 PolarHBondContact O-N 3Å
251	C	98.9	Very high	98.6	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	80.9	175.1	-65.8	0	0	0	0	109.1	Y58 N208 M212 V237 L241 G248 A249	Y58-C251 WeakPolarHBondContact CD1-O 3.18Å; N208-C251 PolarHBondContact ND2-SG 3.3Å; N208-C251 VanDerWaalsContact ND2-SG 3.4Å; M212-C251 PolarHBondContact SD-SG 2.8Å; V237-C251 HydrophobicContact CG1-CB 3.57Å; L241-C251 HydrophobicContact CD1-CB 3.88Å; G248-C251 CarbonylContact O-C 3.53Å; G248-C251 PolarHBondContact O-N 2.57Å; A249-C251 PolarHBondContact O-N 3.4Å
252	S	98.9	Very high	98.6	Very high	1 Å²	1	36 Å²	36	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	151.4	-177.8	-62.8	0	0	0	0	112.4	Y58 C218 W220 A249	Y58-S252 CarbonylContact O-C 3.53Å; Y58-S252 WeakPolarHBondContact O-CA 3.31Å; Y58-S252 WeakPolarHBondContact O-CB 3.22Å; C218-S252 PolarHBondContact O-N 3.15Å; W220-S252 PolarHBondContact N-O 3.33Å; A249-S252 VanDerWaalsContact CA-OG 3.31Å; A249-S252 WeakPolarHBondContact CA-OG 3.33Å; A249-S252 PolarHBondContact O-OG 3.24Å
253	L	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.4	174.6	176.5	71.8	0	0	0	109.8	V57 Y58 W62 W220 V231 T234	V57-L253 CarbonylContact C-O 3.5Å; V57-L253 VanDerWaalsContact CA-O 3.3Å; V57-L253 WeakPolarHBondContact CA-O 3.41Å; Y58-L253 PolarHBondContact N-O 2.87Å; Y58-L253 PolarHBondContact O-N 3.27Å; W62-L253 HydrophobicContact CZ3-CD2 4.33Å; W220-L253 HydrophobicContact CB-CD1 4.31Å; W220-L253 HydrophobicContact CD2-CD1 4.12Å; W220-L253 HydrophobicContact CE3-CD1 3.91Å; W220-L253 HydrophobicContact CG-CD1 4.32Å; V231-L253 HydrophobicContact CG2-CD2 4.13Å; T234-L253 HydrophobicContact CG2-CB 3.85Å; T234-L253 HydrophobicContact CG2-CD2 4.22Å
254	T	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	91.7	165.1	50.1	0	0	0	0	109.1	V57 A86 T94 L219 W220 K221 G256	V57-T254 HydrophobicContact CG1-CG2 4.35Å; A86-T254 HydrophobicContact CB-CG2 4.19Å; T94-T254 HydrophobicContact CG2-CG2 3.94Å; L219-T254 HydrophobicContact CD1-CG2 3.93Å; W220-T254 PolarHBondContact O-N 2.64Å; K221-T254 VanDerWaalsContact CG-O 3.29Å; K221-T254 WeakPolarHBondContact CG-O 3.47Å; T254-G256 PolarHBondContact O-N 3.48Å
255	C	98.8	Very high	98.6	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.027	16%	0.158	C	C	.	.			trans	-60.5	133.4	172.3	-73.5	0	0	0	0	110.1	G56 V83 Q85 A86	G56-C255 WeakPolarHBondContact O-CB 3.49Å; G56-C255 PolarHBondContact O-N 3.29Å; V83-C255 HydrophobicContact CG1-CB 4.4Å; Q85-C255 WeakPolarHBondContact CB-O 3.43Å; Q85-C255 HydrophobicContact CG-CB 4.37Å; A86-C255 PolarHBondContact N-O 2.77Å
256	G	98	Very high	98.6	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.021	15%	0.145	C	C	.	.			trans	176	174.4	-179.3	0	0	0	0	0	112.8	K221 T254	K221-G256 PolarHBondContact NZ-O 3.49Å; T254-G256 PolarHBondContact O-N 3.48Å
257	G	97.4	Very high	98.7	Very high	18 Å²	18	22.5 Å²	22.5	19%	0.186	14%	0.143	C	C	.	.	S	Bend	trans	-88.8	-144.2	-176.3	0	0	0	0	0	113.9	K221 D259 G261	K221-G257 WeakPolarHBondContact CD-O 3.42Å; G257-D259 WeakPolarHBondContact CA-OD1 3.41Å; G257-D259 PolarHBondContact N-OD1 2.7Å; G257-G261 PolarHBondContact O-N 3.14Å
258	A	97.8	Very high	98.7	Very high	80 Å²	80	27.4 Å²	27.4	66%	0.661	16%	0.162	S	C	*	.	H	α-helix	trans	-70	-21.9	174.9	0	0	0	0	0	112.5	T262	A258-T262 WeakPolarHBondContact O-CB 3.49Å; A258-T262 PolarHBondContact O-N 3.41Å; A258-T262 PolarHBondContact O-OG1 2.82Å
259	D	97.7	Very high	98.7	Very high	80 Å²	80	30.9 Å²	30.9	43%	0.428	17%	0.172	S	C	.	.	H	α-helix	trans	-59.7	-59.7	175	61.2	-41.6	0	0	0	111.4	M88 G257 G261 T262 A263	M88-D259 HydrophobicContact CE-CB 4.05Å; M88-D259 WeakPolarHBondContact CE-OD2 3.4Å; G257-D259 WeakPolarHBondContact CA-OD1 3.41Å; G257-D259 PolarHBondContact N-OD1 2.7Å; D259-G261 VanDerWaalsContact C-N 3.32Å; D259-G261 PolarHBondContact O-N 2.92Å; D259-T262 PolarHBondContact O-N 2.86Å; D259-A263 PolarHBondContact O-N 2.89Å
260	I	98.8	Very high	98.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63	-40.8	176.8	-62.4	-76.3	0	0	0	110.4	A86 M88 Y91 K221 T262 A263 M264	A86-I260 HydrophobicContact CB-CD1 3.8Å; A86-I260 HydrophobicContact CB-CG1 4.41Å; M88-I260 HydrophobicContact CE-CB 4.48Å; M88-I260 HydrophobicContact CE-CD1 3.21Å; M88-I260 HydrophobicContact CE-CG1 3.71Å; M88-I260 HydrophobicContact SD-CD1 4.4Å; Y91-I260 HydrophobicContact CD2-CD1 4.4Å; Y91-I260 HydrophobicContact CD2-CG2 4.1Å; Y91-I260 HydrophobicContact CG-CD1 4.26Å; K221-I260 HydrophobicContact CB-CG2 4.28Å; K221-I260 HydrophobicContact CD-CB 3.95Å; K221-I260 HydrophobicContact CD-CG2 3.86Å; K221-I260 HydrophobicContact CG-CB 4.22Å; K221-I260 HydrophobicContact CG-CG2 3.76Å; I260-T262 VanDerWaalsContact C-N 3.35Å; I260-T262 PolarHBondContact O-N 2.92Å; I260-A263 WeakPolarHBondContact O-CB 3.39Å; I260-A263 PolarHBondContact O-N 3.46Å; I260-M264 HydrophobicContact CG2-SD 4.13Å; I260-M264 WeakPolarHBondContact O-CG 3.31Å; I260-M264 PolarHBondContact O-N 3.23Å
261	G	98.8	Very high	98.7	Very high	9 Å²	9	33 Å²	33	9%	0.093	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-39.4	178.4	0	0	0	0	0	113.3	G257 D259 M264 A265	G257-G261 PolarHBondContact O-N 3.14Å; D259-G261 VanDerWaalsContact C-N 3.32Å; D259-G261 PolarHBondContact O-N 2.92Å; G261-M264 PolarHBondContact O-N 2.86Å; G261-A265 PolarHBondContact O-N 3.16Å; G261-A265 VanDerWaalsContact O-N 3.07Å
262	T	98.9	Very high	98.7	Very high	51 Å²	51	33 Å²	33	31%	0.313	18%	0.183	S	C	.	.	H	α-helix	trans	-69.8	-38.4	176	-61	0	0	0	0	111.1	A258 D259 I260 A265 K266 M288	A258-T262 WeakPolarHBondContact O-CB 3.49Å; A258-T262 PolarHBondContact O-N 3.41Å; A258-T262 PolarHBondContact O-OG1 2.82Å; D259-T262 PolarHBondContact O-N 2.86Å; I260-T262 VanDerWaalsContact C-N 3.35Å; I260-T262 PolarHBondContact O-N 2.92Å; T262-A265 PolarHBondContact O-N 3.5Å; T262-K266 HydrophobicContact CG2-CD 4.16Å; T262-K266 WeakPolarHBondContact O-CG 3.41Å; T262-K266 PolarHBondContact O-N 2.86Å; T262-K266 VanDerWaalsContact O-N 3.14Å; T262-M288 HydrophobicContact CG2-CE 4.25Å; T262-M288 HydrophobicContact CG2-SD 3.92Å
263	A	98.9	Very high	98.7	Very high	24 Å²	24	33 Å²	33	20%	0.198	18%	0.183	C	C	.	.	H	α-helix	trans	-58.1	-51.2	173.6	0	0	0	0	0	110.5	M88 Y91 D259 I260 A265 K266 D267	M88-A263 HydrophobicContact SD-CB 4.13Å; Y91-A263 HydrophobicContact CD1-CB 4.2Å; Y91-A263 HydrophobicContact CE1-CB 3.87Å; D259-A263 PolarHBondContact O-N 2.89Å; I260-A263 WeakPolarHBondContact O-CB 3.39Å; I260-A263 PolarHBondContact O-N 3.46Å; A263-A265 VanDerWaalsContact C-N 3.31Å; A263-A265 PolarHBondContact O-N 3.13Å; A263-K266 PolarHBondContact O-N 3.35Å; A263-K266 VanDerWaalsContact O-N 3.11Å; A263-D267 WeakPolarHBondContact O-CB 3.44Å; A263-D267 PolarHBondContact O-N 3.4Å
264	M	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-41.1	175.8	-66.8	168.4	74.9	0	0	113.1	Y91 I194 L219 K221 I260 G261 K266 D267 L273 R292	Y91-M264 HydrophobicContact CE2-CG 3.55Å; Y91-M264 WeakPolarHBondContact OH-CA 3.39Å; I194-M264 HydrophobicContact CD1-CB 4.37Å; I194-M264 HydrophobicContact CD1-CE 4.37Å; I194-M264 HydrophobicContact CD1-SD 4.09Å; I194-M264 HydrophobicContact CG1-CE 3.82Å; I194-M264 HydrophobicContact CG1-SD 3.87Å; L219-M264 HydrophobicContact CG-CE 4.34Å; L219-M264 WeakPolarHBondContact O-CE 3.49Å; K221-M264 HydrophobicContact CB-CE 4.4Å; K221-M264 HydrophobicContact CB-SD 3.68Å; K221-M264 HydrophobicContact CD-SD 4.46Å; K221-M264 HydrophobicContact CG-SD 4.5Å; I260-M264 HydrophobicContact CG2-SD 4.13Å; I260-M264 WeakPolarHBondContact O-CG 3.31Å; I260-M264 PolarHBondContact O-N 3.23Å; G261-M264 PolarHBondContact O-N 2.86Å; M264-K266 VanDerWaalsContact C-N 3.29Å; M264-K266 PolarHBondContact O-N 2.96Å; M264-D267 PolarHBondContact O-N 3.02Å; M264-L273 HydrophobicContact CB-CD1 4.28Å; M264-L273 HydrophobicContact CE-CD1 3.98Å; M264-R292 PolarHBondContact O-NH2 3.46Å
265	A	98.9	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.1	-32	179.7	0	0	0	0	0	113	G261 T262 A263 L273 V285 M288 V289 R292	G261-A265 PolarHBondContact O-N 3.16Å; G261-A265 VanDerWaalsContact O-N 3.07Å; T262-A265 PolarHBondContact O-N 3.5Å; A263-A265 VanDerWaalsContact C-N 3.31Å; A263-A265 PolarHBondContact O-N 3.13Å; A265-L273 HydrophobicContact CB-CD2 3.88Å; A265-V285 HydrophobicContact CB-CG1 4.18Å; A265-M288 HydrophobicContact CB-CB 3.98Å; A265-M288 HydrophobicContact CB-SD 4.07Å; A265-V289 HydrophobicContact CB-CG2 4.31Å; A265-V289 WeakPolarHBondContact O-CG2 3.2Å; A265-R292 PolarHBondContact O-NE 3.14Å
266	K	98.9	Very high	98.7	Very high	124 Å²	124	34.1 Å²	34.1	54%	0.539	19%	0.189	S	C	.	.	H	α-helix	trans	-94	-11.7	-179.3	-67	-179.7	177.5	-175.9	0	114.3	T262 A263 M264 E268 M288 R292	T262-K266 HydrophobicContact CG2-CD 4.16Å; T262-K266 WeakPolarHBondContact O-CG 3.41Å; T262-K266 PolarHBondContact O-N 2.86Å; T262-K266 VanDerWaalsContact O-N 3.14Å; A263-K266 PolarHBondContact O-N 3.35Å; A263-K266 VanDerWaalsContact O-N 3.11Å; M264-K266 VanDerWaalsContact C-N 3.29Å; M264-K266 PolarHBondContact O-N 2.96Å; K266-E268 PolarHBondContact O-N 3.2Å; K266-M288 HydrophobicContact CD-SD 4.45Å; K266-M288 HydrophobicContact CG-CB 4.23Å; K266-M288 HydrophobicContact CG-CG 4.35Å; K266-M288 HydrophobicContact CG-SD 4.05Å; K266-R292 WeakPolarHBondContact O-CD 3.39Å
267	D	98.9	Very high	98.7	Very high	17 Å²	17	35 Å²	35	9%	0.091	20%	0.197	C	C	.	.			trans	-81.5	113.5	-172.7	-163.6	-29.3	0	0	0	112.2	Y91 A263 M264 R269 V270 R292	Y91-D267 WeakPolarHBondContact CE1-OD2 3.26Å; Y91-D267 VanDerWaalsContact OH-CB 3.32Å; Y91-D267 WeakPolarHBondContact OH-CB 3.42Å; Y91-D267 PolarHBondContact OH-OD2 3.35Å; A263-D267 WeakPolarHBondContact O-CB 3.44Å; A263-D267 PolarHBondContact O-N 3.4Å; M264-D267 PolarHBondContact O-N 3.02Å; D267-R269 PolarHBondContact O-N 3.32Å; D267-R269 VanDerWaalsContact O-N 3.13Å; D267-R269 VanDerWaalsContact OD1-CB 3.27Å; D267-R269 WeakPolarHBondContact OD1-CB 3.37Å; D267-R269 WeakPolarHBondContact OD1-CG 3.44Å; D267-R269 IonicContact OD1-CZ 2.77Å; D267-R269 PolarHBondContact OD1-N 3.03Å; D267-R269 IonicContact OD1-NE 2.64Å; D267-R269 PolarHBondContact OD1-NE 3.21Å; D267-R269 IonicContact OD1-NH2 3.95Å; D267-R269 IonicContact OD2-CZ 2.66Å; D267-R269 IonicContact OD2-NE 3.82Å; D267-R269 PolarHBondContact OD2-NE 2.63Å; D267-R269 IonicContact OD2-NH2 3.19Å; D267-R269 PolarHBondContact OD2-NH2 3.15Å; D267-V270 HydrophobicContact CB-CG2 4.05Å; D267-V270 PolarHBondContact O-N 3.4Å; D267-V270 VanDerWaalsContact O-N 3.09Å; D267-R292 PolarHBondContact O-NE 3.43Å; D267-R292 PolarHBondContact O-NH1 3.16Å; D267-R292 VanDerWaalsContact O-NH1 3.16Å; D267-R292 PolarHBondContact O-NH2 3.49Å; D267-R292 VanDerWaalsContact O-NH2 3.13Å
268	E	98.9	Very high	98.7	Very high	152 Å²	152	36.8 Å²	36.8	71%	0.71	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.9	177.6	-66.5	-174.2	163.2	0	0	113.6	K266 V270 R292	K266-E268 PolarHBondContact O-N 3.2Å; E268-V270 VanDerWaalsContact C-N 3.27Å; E268-V270 PolarHBondContact O-N 2.63Å; E268-R292 HydrophobicContact CG-CB 4.27Å
269	R	98.9	Very high	98.8	Very high	80 Å²	80	34.4 Å²	34.4	30%	0.302	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.4	-179.8	-56.9	166.5	-65.2	-178.7	2.4	112.9	E92 V95 R99 D267	E92-R269 IonicContact OE1-CZ 2.64Å; E92-R269 IonicContact OE1-NH1 2.99Å; E92-R269 PolarHBondContact OE1-NH1 3.42Å; E92-R269 IonicContact OE1-NH2 3.35Å; E92-R269 IonicContact OE2-CZ 2.74Å; E92-R269 IonicContact OE2-NH1 3.81Å; E92-R269 PolarHBondContact OE2-NH1 3.4Å; E92-R269 VanDerWaalsContact OE2-NH1 3.08Å; E92-R269 IonicContact OE2-NH2 2.72Å; E92-R269 PolarHBondContact OE2-NH2 3.13Å; V95-R269 HydrophobicContact CG1-CB 3.93Å; R99-R269 PolarHBondContact NH1-O 2.97Å; D267-R269 PolarHBondContact O-N 3.32Å; D267-R269 VanDerWaalsContact O-N 3.13Å; D267-R269 VanDerWaalsContact OD1-CB 3.27Å; D267-R269 WeakPolarHBondContact OD1-CB 3.37Å; D267-R269 WeakPolarHBondContact OD1-CG 3.44Å; D267-R269 IonicContact OD1-CZ 2.77Å; D267-R269 PolarHBondContact OD1-N 3.03Å; D267-R269 IonicContact OD1-NE 2.64Å; D267-R269 PolarHBondContact OD1-NE 3.21Å; D267-R269 IonicContact OD1-NH2 3.95Å; D267-R269 IonicContact OD2-CZ 2.66Å; D267-R269 IonicContact OD2-NE 3.82Å; D267-R269 PolarHBondContact OD2-NE 2.63Å; D267-R269 IonicContact OD2-NH2 3.19Å; D267-R269 PolarHBondContact OD2-NH2 3.15Å
270	V	98.9	Very high	98.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.			trans	-88.8	98.2	170.2	179.6	0	0	0	0	107.8	L190 D267 E268 L272 L273 R292	L190-V270 HydrophobicContact CD2-CG2 4.02Å; D267-V270 HydrophobicContact CB-CG2 4.05Å; D267-V270 PolarHBondContact O-N 3.4Å; D267-V270 VanDerWaalsContact O-N 3.09Å; E268-V270 VanDerWaalsContact C-N 3.27Å; E268-V270 PolarHBondContact O-N 2.63Å; V270-L272 WeakPolarHBondContact CG1-O 3.38Å; V270-L273 HydrophobicContact CG1-CB 4.29Å; V270-R292 PolarHBondContact O-NH1 2.85Å; V270-R292 PolarHBondContact O-NH2 3.04Å
271	D	98.9	Very high	98.8	Very high	49 Å²	49	40.4 Å²	40.4	26%	0.262	21%	0.214	S	C	.	.	S	Bend	trans	-70.3	-35.2	-171.5	-54.6	-70.6	0	0	0	112.5	R99 V188 G189 L190 R295	R99-D271 IonicContact CZ-OD2 3.36Å; R99-D271 IonicContact NH1-OD2 3.66Å; R99-D271 PolarHBondContact NH1-OD2 2.89Å; V188-D271 HydrophobicContact CB-CB 3.9Å; V188-D271 HydrophobicContact CG2-CB 4.13Å; V188-D271 VanDerWaalsContact O-OD2 3.13Å; G189-D271 WeakPolarHBondContact CA-OD2 3.48Å; L190-D271 PolarHBondContact N-OD2 3.46Å; L190-D271 PolarHBondContact O-N 3.18Å; D271-R295 WeakPolarHBondContact O-CB 3.46Å; D271-R295 PolarHBondContact O-N 3.16Å; D271-R295 VanDerWaalsContact O-N 3.14Å
272	L	98.9	Very high	98.8	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	128.4	173	170.1	64.8	0	0	0	109.3	V188 L190 V191 G192 V270 R295 L297 Y519	V188-L272 HydrophobicContact CG2-CB 4Å; L190-L272 PolarHBondContact O-N 3.49Å; V191-L272 CarbonylContact C-O 3.54Å; V191-L272 WeakPolarHBondContact CA-O 3.36Å; V191-L272 HydrophobicContact CG1-CD2 4.12Å; V191-L272 HydrophobicContact CG1-CG 4.27Å; V191-L272 HydrophobicContact CG2-CB 4.3Å; V191-L272 HydrophobicContact CG2-CD2 4.18Å; G192-L272 PolarHBondContact N-O 3.49Å; V270-L272 WeakPolarHBondContact CG1-O 3.38Å; L272-R295 WeakPolarHBondContact CA-O 3.48Å; L272-R295 HydrophobicContact CB-CB 4.2Å; L272-R295 HydrophobicContact CD1-CB 3.7Å; L272-L297 HydrophobicContact CD1-CB 4.2Å; L272-Y519 HydrophobicContact CD2-CD1 3.66Å; L272-Y519 HydrophobicContact CD2-CE1 4.1Å; L272-Y519 HydrophobicContact CD2-CG 4.16Å
273	L	98.9	Very high	98.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	108.7	168.7	-175.4	57.2	0	0	0	110.1	G192 I194 M264 A265 V270 V285 V289 R295 K296 L297	G192-L273 WeakPolarHBondContact O-CA 3.48Å; G192-L273 WeakPolarHBondContact O-CD1 3.34Å; I194-L273 HydrophobicContact CD1-CD1 3.91Å; I194-L273 HydrophobicContact CD1-CD2 4.24Å; I194-L273 HydrophobicContact CG1-CD1 4.08Å; M264-L273 HydrophobicContact CB-CD1 4.28Å; M264-L273 HydrophobicContact CE-CD1 3.98Å; A265-L273 HydrophobicContact CB-CD2 3.88Å; V270-L273 HydrophobicContact CG1-CB 4.29Å; L273-V285 HydrophobicContact CD2-CG1 3.57Å; L273-V285 HydrophobicContact CG-CG1 4.35Å; L273-V289 HydrophobicContact CB-CG2 4.09Å; L273-V289 HydrophobicContact CD2-CG2 3.78Å; L273-R295 PolarHBondContact N-O 3.26Å; L273-K296 WeakPolarHBondContact O-CA 3.32Å; L273-L297 PolarHBondContact O-N 3.36Å
274	S	98.9	Very high	98.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.2	165.8	-177.2	0	0	0	0	109.1	G192 I193 I194 N207 L297	G192-S274 PolarHBondContact O-N 2.96Å; I193-S274 WeakPolarHBondContact CA-O 3.33Å; I194-S274 PolarHBondContact N-O 3.26Å; N207-S274 PolarHBondContact ND2-OG 3.23Å; N207-S274 WeakPolarHBondContact OD1-CB 3.47Å; N207-S274 PolarHBondContact OD1-OG 3.44Å; S274-L297 WeakPolarHBondContact CA-O 3.23Å
275	F	98.9	Very high	98.8	Very high	12 Å²	12	48 Å²	48	5%	0.053	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.4	179.8	177.6	-85	0	0	0	110.4	I194 V281 V285 L297 L298 E299 L300	I194-F275 HydrophobicContact CB-CD2 3.77Å; I194-F275 HydrophobicContact CB-CE2 4.39Å; I194-F275 HydrophobicContact CD1-CD2 4.13Å; I194-F275 HydrophobicContact CG2-CD2 3.57Å; I194-F275 HydrophobicContact CG2-CE2 3.67Å; F275-V281 HydrophobicContact CE1-CG1 4.46Å; F275-V281 HydrophobicContact CE2-CG1 3.81Å; F275-V281 HydrophobicContact CZ-CB 3.85Å; F275-V281 HydrophobicContact CZ-CG1 3.47Å; F275-V281 VanDerWaalsContact CZ-CG1 3.47Å; F275-V285 HydrophobicContact CB-CG1 4.13Å; F275-V285 HydrophobicContact CD2-CB 4.38Å; F275-V285 HydrophobicContact CD2-CG1 4.28Å; F275-V285 HydrophobicContact CD2-CG2 3.81Å; F275-V285 HydrophobicContact CE2-CG2 3.92Å; F275-V285 HydrophobicContact CG-CB 4.43Å; F275-V285 HydrophobicContact CG-CG1 4.24Å; F275-V285 HydrophobicContact CG-CG2 4.33Å; F275-L297 PolarHBondContact N-O 3.42Å; F275-L298 HydrophobicContact CB-CD2 4.19Å; F275-E299 PolarHBondContact O-N 2.85Å; F275-L300 HydrophobicContact CD1-CD2 3.57Å; F275-L300 HydrophobicContact CE1-CD2 3.73Å
276	T	98.9	Very high	98.8	Very high	17 Å²	17	48.6 Å²	48.6	10%	0.104	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.1	171.7	-48.6	0	0	0	0	109.7	I194 T195 A196 V203 E299	I194-T276 PolarHBondContact O-N 3.25Å; T195-T276 CarbonylContact C-O 3.57Å; A196-T276 HydrophobicContact CB-CG2 4.4Å; A196-T276 PolarHBondContact N-O 3.06Å; V203-T276 HydrophobicContact CG1-CG2 3.96Å; V203-T276 WeakPolarHBondContact CG1-OG1 3.38Å; V203-T276 HydrophobicContact CG2-CG2 4.29Å; T276-E299 VanDerWaalsContact CA-O 3.26Å; T276-E299 WeakPolarHBondContact CA-O 3.48Å; T276-E299 HydrophobicContact CG2-CB 4.02Å
277	G	98.3	Very high	98.8	Very high	19 Å²	19	48.7 Å²	48.7	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	169.8	-160.8	-176.4	0	0	0	0	0	113.6	E299 L300	G277-E299 PolarHBondContact N-O 3.44Å; G277-E299 VanDerWaalsContact N-O 3.15Å; G277-L300 CarbonylContact O-C 3.53Å; G277-L300 VanDerWaalsContact O-CA 3.28Å; G277-L300 WeakPolarHBondContact O-CA 3.46Å
278	S	98.5	Very high	98.8	Very high	57 Å²	57	50 Å²	50	40%	0.399	26%	0.255	S	S	.	.			trans	-68.3	147.4	-179.4	71.8	0	0	0	0	111.7	H280 V281 G282	S278-H280 PolarHBondContact O-N 3.5Å; S278-V281 PolarHBondContact O-N 2.74Å; S278-V281 WeakPolarHBondContact OG-CG2 3.27Å; S278-V281 PolarHBondContact OG-N 2.83Å; S278-G282 PolarHBondContact O-N 2.98Å
279	T	98.7	Very high	98.8	Very high	30 Å²	30	42.7 Å²	42.7	18%	0.184	22%	0.221	C	C	.	.	H	α-helix	trans	-55.2	-35.3	173.5	-65.2	0	0	0	0	112.4	K283 G301 H504	T279-K283 WeakPolarHBondContact O-CB 3.47Å; T279-K283 PolarHBondContact O-N 3.03Å; T279-G301 PolarHBondContact OG1-N 2.87Å; T279-G301 VanDerWaalsContact OG1-N 3.13Å; T279-H504 HydrophobicContact CG2-CB 3.89Å; T279-H504 PolarHBondContact OG1-O 2.84Å; T279-H504 VanDerWaalsContact OG1-O 3.11Å
280	H	98.4	Very high	98.8	Very high	144 Å²	144	43.1 Å²	43.1	67%	0.667	23%	0.227	S	C	*	.	H	α-helix	trans	-61	-52.2	178.4	177	69	0	0	0	111.9	S278	S278-H280 PolarHBondContact O-N 3.5Å
281	V	98.6	Very high	98.8	Very high	62 Å²	62	50.5 Å²	50.5	38%	0.376	26%	0.261	S	S	.	.	H	α-helix	trans	-71.4	-41	179.6	179.4	0	0	0	0	110.6	F275 S278 K283 L284 V285	F275-V281 HydrophobicContact CE1-CG1 4.46Å; F275-V281 HydrophobicContact CE2-CG1 3.81Å; F275-V281 HydrophobicContact CZ-CB 3.85Å; F275-V281 HydrophobicContact CZ-CG1 3.47Å; F275-V281 VanDerWaalsContact CZ-CG1 3.47Å; S278-V281 PolarHBondContact O-N 2.74Å; S278-V281 WeakPolarHBondContact OG-CG2 3.27Å; S278-V281 PolarHBondContact OG-N 2.83Å; V281-K283 VanDerWaalsContact C-N 3.26Å; V281-K283 PolarHBondContact O-N 3.17Å; V281-L284 WeakPolarHBondContact O-CB 3.2Å; V281-L284 PolarHBondContact O-N 3.44Å; V281-V285 HydrophobicContact CG1-CG2 4.32Å; V281-V285 PolarHBondContact O-N 3.06Å
282	G	98.8	Very high	98.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.7	-37	177.6	0	0	0	0	0	113.3	S278 V285 A286	S278-G282 PolarHBondContact O-N 2.98Å; G282-V285 PolarHBondContact O-N 3.28Å; G282-A286 VanDerWaalsContact O-CB 3.22Å; G282-A286 WeakPolarHBondContact O-CB 3.29Å; G282-A286 PolarHBondContact O-N 2.89Å
283	K	98.9	Very high	98.8	Very high	146 Å²	146	58.2 Å²	58.2	64%	0.635	29%	0.292	S	S	*	.	H	α-helix	trans	-62.5	-42.7	173	-176.6	177.2	179.3	178.9	0	112.1	T279 V281 A286 M287	T279-K283 WeakPolarHBondContact O-CB 3.47Å; T279-K283 PolarHBondContact O-N 3.03Å; V281-K283 VanDerWaalsContact C-N 3.26Å; V281-K283 PolarHBondContact O-N 3.17Å; K283-A286 PolarHBondContact O-N 3.07Å; K283-M287 VanDerWaalsContact O-CG 3.29Å; K283-M287 WeakPolarHBondContact O-CG 3.18Å; K283-M287 PolarHBondContact O-N 3.33Å
284	L	98.8	Very high	98.8	Very high	87 Å²	87	58.9 Å²	58.9	46%	0.455	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-45.9	177.9	-61.7	174.2	0	0	0	110.9	V281 A286 M287 M288	V281-L284 WeakPolarHBondContact O-CB 3.2Å; V281-L284 PolarHBondContact O-N 3.44Å; L284-A286 VanDerWaalsContact C-N 3.33Å; L284-A286 PolarHBondContact O-N 2.94Å; L284-M287 PolarHBondContact O-N 3.29Å; L284-M288 HydrophobicContact CB-CE 4.49Å; L284-M288 WeakPolarHBondContact O-CG 3.42Å; L284-M288 PolarHBondContact O-N 2.79Å; L284-M288 VanDerWaalsContact O-N 3.13Å
285	V	98.9	Very high	98.8	Very high	10 Å²	10	63.7 Å²	63.7	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-46.6	175	172.6	0	0	0	0	110.7	A265 L273 F275 V281 G282 M287 M288 V289	A265-V285 HydrophobicContact CB-CG1 4.18Å; L273-V285 HydrophobicContact CD2-CG1 3.57Å; L273-V285 HydrophobicContact CG-CG1 4.35Å; F275-V285 HydrophobicContact CB-CG1 4.13Å; F275-V285 HydrophobicContact CD2-CB 4.38Å; F275-V285 HydrophobicContact CD2-CG1 4.28Å; F275-V285 HydrophobicContact CD2-CG2 3.81Å; F275-V285 HydrophobicContact CE2-CG2 3.92Å; F275-V285 HydrophobicContact CG-CB 4.43Å; F275-V285 HydrophobicContact CG-CG1 4.24Å; F275-V285 HydrophobicContact CG-CG2 4.33Å; V281-V285 HydrophobicContact CG1-CG2 4.32Å; V281-V285 PolarHBondContact O-N 3.06Å; G282-V285 PolarHBondContact O-N 3.28Å; V285-M287 VanDerWaalsContact C-N 3.32Å; V285-M287 PolarHBondContact O-N 2.93Å; V285-M288 PolarHBondContact O-N 3.27Å; V285-V289 HydrophobicContact CG1-CG2 4.2Å; V285-V289 WeakPolarHBondContact O-CG2 3.14Å; V285-V289 PolarHBondContact O-N 3.35Å
286	A	98.8	Very high	98.8	Very high	13 Å²	13	66.5 Å²	66.5	11%	0.107	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-42.6	180	0	0	0	0	0	112.7	G282 K283 L284 Q290 K296 L298	G282-A286 VanDerWaalsContact O-CB 3.22Å; G282-A286 WeakPolarHBondContact O-CB 3.29Å; G282-A286 PolarHBondContact O-N 2.89Å; K283-A286 PolarHBondContact O-N 3.07Å; L284-A286 VanDerWaalsContact C-N 3.33Å; L284-A286 PolarHBondContact O-N 2.94Å; A286-Q290 WeakPolarHBondContact O-CB 3.3Å; A286-Q290 PolarHBondContact O-N 3.47Å; A286-K296 HydrophobicContact CB-CD 3.86Å; A286-L298 HydrophobicContact CB-CD1 3.59Å; A286-L298 HydrophobicContact CB-CD2 4.37Å
287	M	98.9	Very high	98.8	Very high	126 Å²	126	65.7 Å²	65.7	62%	0.621	32%	0.324	S	S	*	.	H	α-helix	trans	-64.4	-46.6	177.7	-69.8	-62.3	-61.4	0	0	111.4	K283 L284 V285 Q290 E291	K283-M287 VanDerWaalsContact O-CG 3.29Å; K283-M287 WeakPolarHBondContact O-CG 3.18Å; K283-M287 PolarHBondContact O-N 3.33Å; L284-M287 PolarHBondContact O-N 3.29Å; V285-M287 VanDerWaalsContact C-N 3.32Å; V285-M287 PolarHBondContact O-N 2.93Å; M287-Q290 PolarHBondContact O-N 3.32Å; M287-E291 WeakPolarHBondContact O-CB 3.24Å; M287-E291 PolarHBondContact O-N 3.42Å
288	M	98.9	Very high	98.8	Very high	43 Å²	43	65.4 Å²	65.4	21%	0.212	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-41.8	179.2	-66.3	177.2	-162.4	0	0	112.3	T262 A265 K266 L284 V285 E291	T262-M288 HydrophobicContact CG2-CE 4.25Å; T262-M288 HydrophobicContact CG2-SD 3.92Å; A265-M288 HydrophobicContact CB-CB 3.98Å; A265-M288 HydrophobicContact CB-SD 4.07Å; K266-M288 HydrophobicContact CD-SD 4.45Å; K266-M288 HydrophobicContact CG-CB 4.23Å; K266-M288 HydrophobicContact CG-CG 4.35Å; K266-M288 HydrophobicContact CG-SD 4.05Å; L284-M288 HydrophobicContact CB-CE 4.49Å; L284-M288 WeakPolarHBondContact O-CG 3.42Å; L284-M288 PolarHBondContact O-N 2.79Å; L284-M288 VanDerWaalsContact O-N 3.13Å; V285-M288 PolarHBondContact O-N 3.27Å; M288-E291 WeakPolarHBondContact O-CB 3.4Å; M288-E291 PolarHBondContact O-N 3.28Å
289	V	98.9	Very high	98.8	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.3	-39.8	177.1	175.6	0	0	0	0	110.7	A265 L273 V285 R292 F293 G294 R295 K296	A265-V289 HydrophobicContact CB-CG2 4.31Å; A265-V289 WeakPolarHBondContact O-CG2 3.2Å; L273-V289 HydrophobicContact CB-CG2 4.09Å; L273-V289 HydrophobicContact CD2-CG2 3.78Å; V285-V289 HydrophobicContact CG1-CG2 4.2Å; V285-V289 WeakPolarHBondContact O-CG2 3.14Å; V285-V289 PolarHBondContact O-N 3.35Å; V289-R292 VanDerWaalsContact O-CG 3.31Å; V289-R292 WeakPolarHBondContact O-CG 3.1Å; V289-R292 PolarHBondContact O-N 3.17Å; V289-F293 PolarHBondContact O-N 2.9Å; V289-G294 VanDerWaalsContact CG1-C 3.48Å; V289-G294 WeakPolarHBondContact CG1-O 3.49Å; V289-G294 PolarHBondContact O-N 2.92Å; V289-R295 WeakPolarHBondContact CG1-O 3.43Å; V289-K296 HydrophobicContact CB-CB 4.4Å; V289-K296 HydrophobicContact CG1-CB 3.95Å
290	Q	98.8	Very high	98.8	Very high	89 Å²	89	62.1 Å²	62.1	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-66.7	-36.9	177.9	-173.6	59.2	65.5	0	0	112.6	A286 M287 R292 F293	A286-Q290 WeakPolarHBondContact O-CB 3.3Å; A286-Q290 PolarHBondContact O-N 3.47Å; M287-Q290 PolarHBondContact O-N 3.32Å; Q290-R292 PolarHBondContact O-N 2.94Å; Q290-F293 PolarHBondContact O-N 3.16Å
291	E	98.8	Very high	98.7	Very high	155 Å²	155	55.4 Å²	55.4	72%	0.724	26%	0.264	S	S	*	.	H	α-helix	trans	-56.3	-38.3	177.7	-176.2	176.5	-169.3	0	0	111.9	M287 M288	M287-E291 WeakPolarHBondContact O-CB 3.24Å; M287-E291 PolarHBondContact O-N 3.42Å; M288-E291 WeakPolarHBondContact O-CB 3.4Å; M288-E291 PolarHBondContact O-N 3.28Å
292	R	98.8	Very high	98.7	Very high	34 Å²	34	52.4 Å²	52.4	13%	0.128	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	13.2	175.8	68.6	177.7	-179.7	87	-10.8	114.7	M264 A265 K266 D267 E268 V270 V289 Q290 G294	M264-R292 PolarHBondContact O-NH2 3.46Å; A265-R292 PolarHBondContact O-NE 3.14Å; K266-R292 WeakPolarHBondContact O-CD 3.39Å; D267-R292 PolarHBondContact O-NE 3.43Å; D267-R292 PolarHBondContact O-NH1 3.16Å; D267-R292 VanDerWaalsContact O-NH1 3.16Å; D267-R292 PolarHBondContact O-NH2 3.49Å; D267-R292 VanDerWaalsContact O-NH2 3.13Å; E268-R292 HydrophobicContact CG-CB 4.27Å; V270-R292 PolarHBondContact O-NH1 2.85Å; V270-R292 PolarHBondContact O-NH2 3.04Å; V289-R292 VanDerWaalsContact O-CG 3.31Å; V289-R292 WeakPolarHBondContact O-CG 3.1Å; V289-R292 PolarHBondContact O-N 3.17Å; Q290-R292 PolarHBondContact O-N 2.94Å; R292-G294 PolarHBondContact O-N 3.48Å; R292-G294 VanDerWaalsContact O-N 3.07Å
293	F	98.8	Very high	98.7	Very high	179 Å²	179	52.6 Å²	52.6	79%	0.785	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	24.7	-176	-60.4	-78.3	0	0	0	115.3	V289 Q290	V289-F293 PolarHBondContact O-N 2.9Å; Q290-F293 PolarHBondContact O-N 3.16Å
294	G	98.8	Very high	98.7	Very high	14 Å²	14	45.8 Å²	45.8	14%	0.144	22%	0.217	C	C	.	.			trans	-73	164.8	175.1	0	0	0	0	0	112.4	V289 R292	V289-G294 VanDerWaalsContact CG1-C 3.48Å; V289-G294 WeakPolarHBondContact CG1-O 3.49Å; V289-G294 PolarHBondContact O-N 2.92Å; R292-G294 PolarHBondContact O-N 3.48Å; R292-G294 VanDerWaalsContact O-N 3.07Å
295	R	98.9	Very high	98.7	Very high	100 Å²	100	41.6 Å²	41.6	38%	0.377	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	146.2	173	-56.2	175	-178.6	-153.6	-3	110	D271 L272 L273 V289 M520	D271-R295 WeakPolarHBondContact O-CB 3.46Å; D271-R295 PolarHBondContact O-N 3.16Å; D271-R295 VanDerWaalsContact O-N 3.14Å; L272-R295 WeakPolarHBondContact CA-O 3.48Å; L272-R295 HydrophobicContact CB-CB 4.2Å; L272-R295 HydrophobicContact CD1-CB 3.7Å; L273-R295 PolarHBondContact N-O 3.26Å; V289-R295 WeakPolarHBondContact CG1-O 3.43Å; R295-M520 PolarHBondContact NH1-O 2.88Å
296	K	98.8	Very high	98.7	Very high	71 Å²	71	41.2 Å²	41.2	31%	0.309	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.5	177.5	56	-169.9	178	-67.8	0	110.1	L273 A286 V289 L298	L273-K296 WeakPolarHBondContact O-CA 3.32Å; A286-K296 HydrophobicContact CB-CD 3.86Å; V289-K296 HydrophobicContact CB-CB 4.4Å; V289-K296 HydrophobicContact CG1-CB 3.95Å; K296-L298 HydrophobicContact CB-CD2 4.28Å; K296-L298 HydrophobicContact CB-CG 4.36Å; K296-L298 HydrophobicContact CD-CD1 4.12Å; K296-L298 HydrophobicContact CD-CG 4.4Å; K296-L298 HydrophobicContact CG-CG 4.38Å
297	L	98.9	Very high	98.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.9	165.6	-175.8	170.9	0	0	0	105.2	L272 L273 S274 F275 E299 R509 E510 Y519	L272-L297 HydrophobicContact CD1-CB 4.2Å; L273-L297 PolarHBondContact O-N 3.36Å; S274-L297 WeakPolarHBondContact CA-O 3.23Å; F275-L297 PolarHBondContact N-O 3.42Å; L297-E299 HydrophobicContact CD2-CG 3.76Å; L297-R509 WeakPolarHBondContact CD1-O 3.32Å; L297-E510 HydrophobicContact CD1-CG 4.45Å; L297-E510 HydrophobicContact CD2-CG 4.04Å; L297-Y519 HydrophobicContact CD1-CE1 4.42Å; L297-Y519 HydrophobicContact CD1-CE2 4.11Å; L297-Y519 WeakPolarHBondContact CD1-OH 3.22Å
298	L	98.9	Very high	98.7	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.6	-173.5	-59	177.4	0	0	0	109.8	F275 A286 K296 L300 G508	F275-L298 HydrophobicContact CB-CD2 4.19Å; A286-L298 HydrophobicContact CB-CD1 3.59Å; A286-L298 HydrophobicContact CB-CD2 4.37Å; K296-L298 HydrophobicContact CB-CD2 4.28Å; K296-L298 HydrophobicContact CB-CG 4.36Å; K296-L298 HydrophobicContact CD-CD1 4.12Å; K296-L298 HydrophobicContact CD-CG 4.4Å; K296-L298 HydrophobicContact CG-CG 4.38Å; L298-L300 HydrophobicContact CB-CD1 4.2Å; L298-L300 HydrophobicContact CB-CD2 4.29Å; L298-L300 HydrophobicContact CB-CG 4.06Å; L298-L300 HydrophobicContact CD1-CD1 4.46Å; L298-G508 PolarHBondContact O-N 2.79Å; L298-G508 VanDerWaalsContact O-N 3.17Å
299	E	98.8	Very high	98.7	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.028	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	93	174.1	-71.1	-63	164.1	0	0	109.6	F275 T276 G277 L297 G500 G508 R509 E510	F275-E299 PolarHBondContact O-N 2.85Å; T276-E299 VanDerWaalsContact CA-O 3.26Å; T276-E299 WeakPolarHBondContact CA-O 3.48Å; T276-E299 HydrophobicContact CG2-CB 4.02Å; G277-E299 PolarHBondContact N-O 3.44Å; G277-E299 VanDerWaalsContact N-O 3.15Å; L297-E299 HydrophobicContact CD2-CG 3.76Å; E299-G500 WeakPolarHBondContact OE1-CA 3.39Å; E299-G500 VanDerWaalsContact OE2-CA 3.23Å; E299-G500 WeakPolarHBondContact OE2-CA 3.21Å; E299-G508 VanDerWaalsContact OE1-O 3.07Å; E299-R509 WeakPolarHBondContact OE1-CA 3.2Å; E299-R509 PolarHBondContact OE1-N 3.36Å; E299-E510 HydrophobicContact CG-CG 3.99Å
300	L	98.8	Very high	98.7	Very high	11 Å²	11	38.4 Å²	38.4	6%	0.058	18%	0.176	C	C	.	.			trans	-108.5	-156.9	-165.5	-47.7	-179.7	0	0	0	113.2	F275 G277 L298 T505	F275-L300 HydrophobicContact CD1-CD2 3.57Å; F275-L300 HydrophobicContact CE1-CD2 3.73Å; G277-L300 CarbonylContact O-C 3.53Å; G277-L300 VanDerWaalsContact O-CA 3.28Å; G277-L300 WeakPolarHBondContact O-CA 3.46Å; L298-L300 HydrophobicContact CB-CD1 4.2Å; L298-L300 HydrophobicContact CB-CD2 4.29Å; L298-L300 HydrophobicContact CB-CG 4.06Å; L298-L300 HydrophobicContact CD1-CD1 4.46Å; L300-T505 VanDerWaalsContact CB-O 3.28Å; L300-T505 WeakPolarHBondContact CB-O 3.43Å; L300-T505 WeakPolarHBondContact CG-O 3.42Å; L300-T505 PolarHBondContact N-O 2.89Å
301	G	96.9	Very high	98.7	Very high	3 Å²	3	36.4 Å²	36.4	3%	0.031	17%	0.168	C	C	.	.			trans	-64.8	154	-173	0	0	0	0	0	114.8	T279 E430 T505	T279-G301 PolarHBondContact OG1-N 2.87Å; T279-G301 VanDerWaalsContact OG1-N 3.13Å; G301-E430 WeakPolarHBondContact CA-OE2 3.4Å; G301-T505 PolarHBondContact O-OG1 2.88Å
302	G	98.4	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.137	C	C	.	.			trans	-127.3	136.9	178.7	0	0	0	0	0	112.7	R337 E430	G302-R337 PolarHBondContact O-NE 2.9Å; G302-E430 PolarHBondContact N-OE1 3.18Å; G302-E430 WeakPolarHBondContact O-CG 3.26Å
303	N	98.8	Very high	98.7	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	15%	0.148	C	C	.	.			trans	-126.9	62.2	171.9	-167.4	0.2	0	0	0	110.4	R338 V427 H428 V454 Q456	N303-R338 PolarHBondContact O-NE 2.96Å; N303-R338 VanDerWaalsContact O-NE 3.1Å; N303-R338 PolarHBondContact O-NH2 2.89Å; N303-V427 PolarHBondContact ND2-O 3.09Å; N303-H428 PolarHBondContact ND2-O 3.06Å; N303-V454 HydrophobicContact CB-CG2 4.31Å; N303-Q456 HydrophobicContact CB-CB 4.04Å; N303-Q456 HydrophobicContact CB-CG 4.06Å
304	N	98.9	Very high	98.7	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.2	-162.3	-40.7	-74.7	0	0	0	111.5	C333 T334 T335 R337 R338 S459 T490	N304-C333 PolarHBondContact ND2-O 3.46Å; N304-T334 VanDerWaalsContact ND2-C 3.27Å; N304-T334 WeakPolarHBondContact ND2-CA 3.32Å; N304-T335 PolarHBondContact ND2-O 3.35Å; N304-R337 PolarHBondContact O-N 3.32Å; N304-R338 PolarHBondContact O-N 3.14Å; N304-S459 VanDerWaalsContact CA-O 3.3Å; N304-S459 WeakPolarHBondContact CA-O 3.49Å; N304-S459 VanDerWaalsContact CB-O 3.23Å; N304-S459 WeakPolarHBondContact CB-O 3.41Å; N304-S459 PolarHBondContact OD1-N 3.46Å; N304-S459 PolarHBondContact OD1-O 3.41Å; N304-T490 HydrophobicContact CB-CG2 3.7Å
305	A	98.9	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.6	-179.7	0	0	0	0	0	112.8	R338 M340 S460 S461 T490	A305-R338 CarbonylContact C-O 3.56Å; A305-R338 VanDerWaalsContact CA-O 3.22Å; A305-R338 WeakPolarHBondContact CA-O 3.06Å; A305-R338 HydrophobicContact CB-CB 4.07Å; A305-M340 HydrophobicContact CB-CE 4.03Å; A305-S460 WeakPolarHBondContact O-CA 3.41Å; A305-S461 PolarHBondContact O-N 2.91Å; A305-T490 WeakPolarHBondContact O-CG2 3.31Å
306	I	98.9	Very high	98.7	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.6	159.1	-69.5	-179.5	0	0	0	107.5	V308 A321 A324 T336 R338 L339 M340 S461 F463 P489 T490	I306-V308 HydrophobicContact CG2-CG2 3.84Å; I306-A321 HydrophobicContact CD1-CB 4.44Å; I306-A324 HydrophobicContact CD1-CB 4.38Å; I306-T336 HydrophobicContact CB-CG2 4.02Å; I306-T336 HydrophobicContact CD1-CG2 3.8Å; I306-T336 VanDerWaalsContact CD1-OG1 3.27Å; I306-T336 WeakPolarHBondContact CD1-OG1 3.17Å; I306-T336 HydrophobicContact CG1-CG2 3.65Å; I306-R338 PolarHBondContact N-O 2.91Å; I306-L339 HydrophobicContact CB-CD1 3.83Å; I306-L339 HydrophobicContact CG2-CD1 3.65Å; I306-L339 CarbonylContact O-C 3.6Å; I306-L339 WeakPolarHBondContact O-CA 3.3Å; I306-M340 PolarHBondContact O-N 3.14Å; I306-S461 CarbonylContact C-O 3.57Å; I306-S461 WeakPolarHBondContact CA-O 3.2Å; I306-F463 HydrophobicContact CD1-CE2 4.28Å; I306-F463 HydrophobicContact CG1-CE2 4.43Å; I306-F463 HydrophobicContact CG2-CD2 3.63Å; I306-F463 HydrophobicContact CG2-CE2 3.68Å; I306-P489 HydrophobicContact CD1-CB 3.88Å; I306-T490 HydrophobicContact CG1-CG2 3.97Å
307	I	98.9	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.8	172.4	-48.8	174.9	0	0	0	108.8	F309 M340 F441 A447 F448 N451 S461 I462 F463 W473	I307-F309 HydrophobicContact CB-CE2 4.26Å; I307-F309 HydrophobicContact CG2-CD2 4.09Å; I307-F309 HydrophobicContact CG2-CE2 3.52Å; I307-F309 HydrophobicContact CG2-CZ 3.95Å; I307-M340 CarbonylContact C-O 3.54Å; I307-M340 WeakPolarHBondContact CA-O 3.21Å; I307-M340 HydrophobicContact CB-CB 4.46Å; I307-M340 HydrophobicContact CD1-SD 4.38Å; I307-M340 HydrophobicContact CG1-CB 4.27Å; I307-M340 HydrophobicContact CG1-SD 3.98Å; I307-M340 HydrophobicContact CG2-CB 4.31Å; I307-F441 HydrophobicContact CG2-CD1 4.33Å; I307-F441 HydrophobicContact CG2-CE1 3.51Å; I307-F441 HydrophobicContact CG2-CE2 4.45Å; I307-F441 HydrophobicContact CG2-CZ 3.59Å; I307-A447 HydrophobicContact CD1-CB 4.17Å; I307-A447 HydrophobicContact CG2-CB 3.83Å; I307-F448 HydrophobicContact CD1-CD1 4.05Å; I307-F448 HydrophobicContact CD1-CE1 4.47Å; I307-N451 HydrophobicContact CD1-CB 4.16Å; I307-S461 PolarHBondContact N-O 2.86Å; I307-I462 HydrophobicContact CB-CG2 4.12Å; I307-I462 HydrophobicContact CD1-CG2 4.14Å; I307-I462 HydrophobicContact CG1-CG2 4.48Å; I307-I462 CarbonylContact O-C 3.54Å; I307-I462 WeakPolarHBondContact O-CA 3.39Å; I307-F463 PolarHBondContact O-N 2.94Å; I307-W473 HydrophobicContact CD1-CH2 4.02Å; I307-W473 HydrophobicContact CD1-CZ3 4.1Å
308	V	98.9	Very high	98.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.8	-179.2	-169.6	0	0	0	0	109.5	I306 A312 L314 V317 L339 M340 L341 H342 I345 F441 F463	I306-V308 HydrophobicContact CG2-CG2 3.84Å; V308-A312 HydrophobicContact CG1-CB 3.53Å; V308-L314 HydrophobicContact CG1-CD2 4.3Å; V308-V317 HydrophobicContact CB-CG1 4.42Å; V308-V317 HydrophobicContact CG1-CB 4.38Å; V308-V317 HydrophobicContact CG1-CG1 3.9Å; V308-V317 HydrophobicContact CG1-CG2 3.61Å; V308-V317 HydrophobicContact CG2-CG1 3.62Å; V308-V317 HydrophobicContact CG2-CG2 4.32Å; V308-L339 HydrophobicContact CG2-CD1 3.88Å; V308-M340 PolarHBondContact N-O 2.95Å; V308-L341 HydrophobicContact CB-CD2 3.67Å; V308-L341 HydrophobicContact CG1-CD2 4.48Å; V308-L341 HydrophobicContact CG2-CD2 3.55Å; V308-H342 WeakPolarHBondContact O-CB 3.49Å; V308-H342 PolarHBondContact O-N 2.95Å; V308-I345 HydrophobicContact CB-CD1 4.19Å; V308-I345 HydrophobicContact CG1-CD1 3.53Å; V308-F441 WeakPolarHBondContact O-CE1 3.45Å; V308-F441 WeakPolarHBondContact O-CZ 3.36Å; V308-F463 HydrophobicContact CG1-CB 4.37Å
309	F	98.9	Very high	98.6	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.018	15%	0.147	C	C	.	.			trans	-82	163.5	176.9	-72.9	-90.6	0	0	0	111.8	I307 D311 A312 I345 F441 E444 F448 I462 F463 R469	I307-F309 HydrophobicContact CB-CE2 4.26Å; I307-F309 HydrophobicContact CG2-CD2 4.09Å; I307-F309 HydrophobicContact CG2-CE2 3.52Å; I307-F309 HydrophobicContact CG2-CZ 3.95Å; F309-D311 WeakPolarHBondContact CB-OD1 3.42Å; F309-D311 PolarHBondContact O-N 3.02Å; F309-D311 VanDerWaalsContact O-N 3.16Å; F309-A312 WeakPolarHBondContact O-CB 3.44Å; F309-A312 PolarHBondContact O-N 2.98Å; F309-A312 VanDerWaalsContact O-N 3.11Å; F309-I345 WeakPolarHBondContact O-CD1 3.3Å; F309-F441 AromaticContact CD1-CE2 3.95Å; F309-F441 HydrophobicContact CD1-CE2 3.95Å; F309-F441 AromaticContact CD1-CZ 3.91Å; F309-F441 HydrophobicContact CD1-CZ 3.91Å; F309-F441 HydrophobicContact CD2-CZ 4.48Å; F309-F441 AromaticContact CE1-CE2 3.7Å; F309-F441 HydrophobicContact CE1-CE2 3.7Å; F309-F441 AromaticContact CE1-CZ 3.93Å; F309-F441 HydrophobicContact CE1-CZ 3.93Å; F309-F441 HydrophobicContact CE2-CZ 4.48Å; F309-F441 HydrophobicContact CG-CZ 4.2Å; F309-F441 HydrophobicContact CZ-CE2 4.23Å; F309-F441 HydrophobicContact CZ-CZ 4.21Å; F309-E444 HydrophobicContact CE1-CB 3.87Å; F309-E444 HydrophobicContact CE1-CG 4.02Å; F309-E444 HydrophobicContact CZ-CB 4.26Å; F309-E444 HydrophobicContact CZ-CG 3.96Å; F309-F448 HydrophobicContact CE2-CE1 4.18Å; F309-F448 AromaticContact CZ-CE1 3.87Å; F309-F448 HydrophobicContact CZ-CE1 3.87Å; F309-I462 HydrophobicContact CE2-CB 4.27Å; F309-I462 HydrophobicContact CE2-CG2 4.13Å; F309-F463 PolarHBondContact N-O 2.62Å; F309-R469 HydrophobicContact CE2-CG 4.45Å; F309-R469 HydrophobicContact CZ-CG 4.43Å
310	E	98.8	Very high	98.6	Very high	120 Å²	120	27.6 Å²	27.6	56%	0.561	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-28	-178	63	178.1	-175.8	0	0	114.4	H342	E310-H342 IonicContact OE2-CE1 3.63Å
311	D	98.8	Very high	98.6	Very high	47 Å²	47	27.1 Å²	27.1	25%	0.251	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	2.2	-177.1	70.9	-34.9	0	0	0	113.3	F309 T464 K465 D466 R469	F309-D311 WeakPolarHBondContact CB-OD1 3.42Å; F309-D311 PolarHBondContact O-N 3.02Å; F309-D311 VanDerWaalsContact O-N 3.16Å; D311-T464 WeakPolarHBondContact OD1-CB 3.32Å; D311-T464 PolarHBondContact OD1-OG1 3.31Å; D311-T464 PolarHBondContact OD2-OG1 2.84Å; D311-K465 WeakPolarHBondContact O-CD 3.49Å; D311-K465 WeakPolarHBondContact O-CG 3.17Å; D311-K465 WeakPolarHBondContact OD2-CA 3.39Å; D311-K465 PolarHBondContact OD2-N 3.49Å; D311-D466 PolarHBondContact OD2-N 2.87Å; D311-R469 IonicContact OD1-NH1 3.3Å; D311-R469 PolarHBondContact OD1-NH1 3.42Å; D311-R469 IonicContact OD2-NH1 3.95Å
312	A	98.8	Very high	98.6	Very high	10 Å²	10	28 Å²	28	8%	0.083	15%	0.153	C	C	.	.	S	Bend	trans	-62.9	147.1	-179.3	0	0	0	0	0	112.5	V308 F309 L314 V317 F463	V308-A312 HydrophobicContact CG1-CB 3.53Å; F309-A312 WeakPolarHBondContact O-CB 3.44Å; F309-A312 PolarHBondContact O-N 2.98Å; F309-A312 VanDerWaalsContact O-N 3.11Å; A312-L314 PolarHBondContact O-N 2.93Å; A312-L314 VanDerWaalsContact O-N 3.1Å; A312-V317 HydrophobicContact CB-CG2 3.93Å; A312-F463 HydrophobicContact CB-CB 3.96Å; A312-F463 WeakPolarHBondContact CB-O 3.46Å
313	D	98.6	Very high	98.6	Very high	67 Å²	67	33.4 Å²	33.4	36%	0.358	18%	0.176	S	C	.	.			trans	-73.9	101.5	167.1	-174.1	-13.1	0	0	0	110.3	N315 L316 V317	D313-N315 PolarHBondContact O-N 3.09Å; D313-N315 VanDerWaalsContact OD1-CB 3.32Å; D313-N315 WeakPolarHBondContact OD1-CB 3.47Å; D313-N315 PolarHBondContact OD1-N 2.87Å; D313-L316 HydrophobicContact CB-CB 4.12Å; D313-L316 WeakPolarHBondContact O-CB 3.22Å; D313-L316 PolarHBondContact O-N 2.88Å; D313-V317 VanDerWaalsContact O-CG2 3.3Å; D313-V317 WeakPolarHBondContact O-CG2 3.32Å; D313-V317 PolarHBondContact O-N 3.34Å
314	L	98.5	Very high	98.6	Very high	33 Å²	33	33.2 Å²	33.2	17%	0.173	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-20.5	-179	-57.5	-170.2	0	0	0	113.7	V308 A312 L316 V317 V318 I345 V349 R352	V308-L314 HydrophobicContact CG1-CD2 4.3Å; A312-L314 PolarHBondContact O-N 2.93Å; A312-L314 VanDerWaalsContact O-N 3.1Å; L314-L316 VanDerWaalsContact C-N 3.3Å; L314-V317 HydrophobicContact CD2-CG2 4.46Å; L314-V318 WeakPolarHBondContact O-CG2 3.36Å; L314-V318 PolarHBondContact O-N 2.76Å; L314-I345 HydrophobicContact CD1-CG2 4.45Å; L314-I345 HydrophobicContact CD2-CD1 3.92Å; L314-V349 HydrophobicContact CD1-CG2 4.12Å; L314-V349 HydrophobicContact CD2-CG2 3.71Å; L314-V349 HydrophobicContact CG-CG2 4.47Å; L314-R352 VanDerWaalsContact CB-NH1 3.27Å
315	N	98.3	Very high	98.6	Very high	113 Å²	113	33.2 Å²	33.2	60%	0.604	18%	0.176	S	C	*	.	H	α-helix	trans	-74.8	-24.8	174.6	-63.5	-31.4	0	0	0	112.1	D313 P319 R352	D313-N315 PolarHBondContact O-N 3.09Å; D313-N315 VanDerWaalsContact OD1-CB 3.32Å; D313-N315 WeakPolarHBondContact OD1-CB 3.47Å; D313-N315 PolarHBondContact OD1-N 2.87Å; N315-P319 WeakPolarHBondContact O-CD 3.4Å; N315-P319 WeakPolarHBondContact O-CG 3.48Å; N315-R352 PolarHBondContact OD1-NH2 3.34Å
316	L	98.4	Very high	98.5	Very high	66 Å²	66	33.5 Å²	33.5	35%	0.346	18%	0.178	S	C	.	.	H	α-helix	trans	-85	-41.3	171.3	-179.6	62.5	0	0	0	111.6	D313 L314 P319 S320 F463 N487	D313-L316 HydrophobicContact CB-CB 4.12Å; D313-L316 WeakPolarHBondContact O-CB 3.22Å; D313-L316 PolarHBondContact O-N 2.88Å; L314-L316 VanDerWaalsContact C-N 3.3Å; L316-P319 WeakPolarHBondContact O-CD 3.5Å; L316-P319 WeakPolarHBondContact O-CG 3.34Å; L316-S320 VanDerWaalsContact O-CB 3.24Å; L316-S320 WeakPolarHBondContact O-CB 3.41Å; L316-S320 PolarHBondContact O-N 3.32Å; L316-S320 PolarHBondContact O-OG 3.35Å; L316-F463 HydrophobicContact CD2-CD1 4.27Å; L316-F463 HydrophobicContact CD2-CE1 4.12Å; L316-F463 HydrophobicContact CG-CD1 4.33Å; L316-F463 HydrophobicContact CG-CE1 3.95Å; L316-N487 HydrophobicContact CD2-CB 4.04Å
317	V	98.6	Very high	98.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-59.4	-51.7	-177.1	168.9	0	0	0	0	112	V308 A312 D313 L314 S320 A321 V349 F463	V308-V317 HydrophobicContact CB-CG1 4.42Å; V308-V317 HydrophobicContact CG1-CB 4.38Å; V308-V317 HydrophobicContact CG1-CG1 3.9Å; V308-V317 HydrophobicContact CG1-CG2 3.61Å; V308-V317 HydrophobicContact CG2-CG1 3.62Å; V308-V317 HydrophobicContact CG2-CG2 4.32Å; A312-V317 HydrophobicContact CB-CG2 3.93Å; D313-V317 VanDerWaalsContact O-CG2 3.3Å; D313-V317 WeakPolarHBondContact O-CG2 3.32Å; D313-V317 PolarHBondContact O-N 3.34Å; L314-V317 HydrophobicContact CD2-CG2 4.46Å; V317-S320 PolarHBondContact O-N 2.81Å; V317-A321 WeakPolarHBondContact O-CB 3.35Å; V317-A321 PolarHBondContact O-N 2.86Å; V317-V349 HydrophobicContact CG1-CG1 4.34Å; V317-F463 HydrophobicContact CG2-CB 3.74Å; V317-F463 HydrophobicContact CG2-CD1 3.69Å; V317-F463 HydrophobicContact CG2-CG 3.8Å
318	V	98.3	Very high	98.4	Very high	12 Å²	12	34 Å²	34	7%	0.073	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-54.9	-173	173.1	0	0	0	0	112.3	L314 S320 A321 V322 R352 I353 A356	L314-V318 WeakPolarHBondContact O-CG2 3.36Å; L314-V318 PolarHBondContact O-N 2.76Å; V318-S320 VanDerWaalsContact C-N 3.31Å; V318-S320 PolarHBondContact O-N 3.47Å; V318-A321 PolarHBondContact O-N 3.43Å; V318-V322 HydrophobicContact CG1-CG2 4.48Å; V318-V322 WeakPolarHBondContact O-CG2 3.44Å; V318-V322 PolarHBondContact O-N 3Å; V318-R352 HydrophobicContact CG1-CB 4.31Å; V318-R352 HydrophobicContact CG2-CB 3.8Å; V318-I353 HydrophobicContact CG1-CG1 4.18Å; V318-I353 HydrophobicContact CG2-CG1 4.3Å; V318-A356 HydrophobicContact CG1-CB 4.4Å
319	P	98.1	Very high	98.4	Very high	72 Å²	72	34.1 Å²	34.1	47%	0.468	18%	0.182	S	C	.	.	H	α-helix	trans	-63.9	-36.2	177.8	24.6	-33.2	0	0	0	112.5	N315 L316 V322 F323	N315-P319 WeakPolarHBondContact O-CD 3.4Å; N315-P319 WeakPolarHBondContact O-CG 3.48Å; L316-P319 WeakPolarHBondContact O-CD 3.5Å; L316-P319 WeakPolarHBondContact O-CG 3.34Å; P319-V322 PolarHBondContact O-N 2.91Å; P319-F323 WeakPolarHBondContact O-CB 3.27Å; P319-F323 PolarHBondContact O-N 3.24Å
320	S	98.6	Very high	98.4	Very high	14 Å²	14	34 Å²	34	10%	0.098	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-50.1	177.3	-62.1	0	0	0	0	111.9	L316 V317 V318 A324	L316-S320 VanDerWaalsContact O-CB 3.24Å; L316-S320 WeakPolarHBondContact O-CB 3.41Å; L316-S320 PolarHBondContact O-N 3.32Å; L316-S320 PolarHBondContact O-OG 3.35Å; V317-S320 PolarHBondContact O-N 2.81Å; V318-S320 VanDerWaalsContact C-N 3.31Å; V318-S320 PolarHBondContact O-N 3.47Å; S320-A324 WeakPolarHBondContact O-CB 3.4Å; S320-A324 PolarHBondContact O-N 3.45Å
321	A	98.5	Very high	98.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-41.2	179.4	0	0	0	0	0	111.7	I306 V317 V318 S325 L339 I353	I306-A321 HydrophobicContact CD1-CB 4.44Å; V317-A321 WeakPolarHBondContact O-CB 3.35Å; V317-A321 PolarHBondContact O-N 2.86Å; V318-A321 PolarHBondContact O-N 3.43Å; A321-S325 VanDerWaalsContact O-CB 3.25Å; A321-S325 WeakPolarHBondContact O-CB 3.33Å; A321-S325 PolarHBondContact O-N 2.62Å; A321-S325 PolarHBondContact O-OG 3.48Å; A321-L339 HydrophobicContact CB-CD1 4.46Å; A321-L339 HydrophobicContact CB-CD2 4.46Å; A321-I353 HydrophobicContact CB-CD1 3.89Å
322	V	98.4	Very high	98.4	Very high	20 Å²	20	26.9 Å²	26.9	12%	0.121	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-53.8	177.1	172.6	0	0	0	0	110.6	V318 P319 A324 S325 V326 I353 A356 Y357 V360	V318-V322 HydrophobicContact CG1-CG2 4.48Å; V318-V322 WeakPolarHBondContact O-CG2 3.44Å; V318-V322 PolarHBondContact O-N 3Å; P319-V322 PolarHBondContact O-N 2.91Å; V322-A324 VanDerWaalsContact C-N 3.35Å; V322-A324 PolarHBondContact O-N 2.73Å; V322-S325 PolarHBondContact O-N 2.73Å; V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CB 3.24Å; V322-V326 WeakPolarHBondContact O-CB 3.32Å; V322-V326 WeakPolarHBondContact O-CG2 3.48Å; V322-V326 PolarHBondContact O-N 2.96Å; V322-I353 HydrophobicContact CG2-CG2 3.96Å; V322-A356 HydrophobicContact CG2-CB 3.74Å; V322-Y357 HydrophobicContact CB-CE2 4.34Å; V322-Y357 HydrophobicContact CG1-CD2 4.3Å; V322-Y357 HydrophobicContact CG1-CE2 4.26Å; V322-Y357 HydrophobicContact CG2-CD2 4.03Å; V322-Y357 HydrophobicContact CG2-CE2 3.96Å; V322-V360 HydrophobicContact CG1-CG2 4.49Å
323	F	97.9	Very high	98.4	Very high	114 Å²	114	27.7 Å²	27.7	50%	0.5	15%	0.151	S	C	.	.	H	α-helix	trans	-62.7	-41.4	-178.5	176.1	-99.2	0	0	0	112.4	P319 S325 G327 R332	P319-F323 WeakPolarHBondContact O-CB 3.27Å; P319-F323 PolarHBondContact O-N 3.24Å; F323-S325 VanDerWaalsContact C-N 3.31Å; F323-S325 PolarHBondContact O-N 2.87Å; F323-G327 WeakPolarHBondContact O-CA 3.5Å; F323-G327 PolarHBondContact O-N 2.72Å; F323-R332 VanDerWaalsContact CZ-NH2 3.29Å
324	A	98.5	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73.5	-22	-177.1	0	0	0	0	0	114	I306 S320 V322 T335 T336 P489	I306-A324 HydrophobicContact CD1-CB 4.38Å; S320-A324 WeakPolarHBondContact O-CB 3.4Å; S320-A324 PolarHBondContact O-N 3.45Å; V322-A324 VanDerWaalsContact C-N 3.35Å; V322-A324 PolarHBondContact O-N 2.73Å; A324-T335 CarbonylContact O-C 3.59Å; A324-T335 WeakPolarHBondContact O-CA 3.48Å; A324-T336 VanDerWaalsContact CB-OG1 3.22Å; A324-T336 WeakPolarHBondContact CB-OG1 3.41Å; A324-T336 PolarHBondContact O-N 2.72Å; A324-P489 HydrophobicContact CB-CB 3.49Å; A324-P489 VanDerWaalsContact CB-CB 3.49Å; A324-P489 HydrophobicContact CB-CG 4.16Å
325	S	98.6	Very high	98.4	Very high	3 Å²	3	23.4 Å²	23.4	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-93.7	-37.2	177.9	-50.2	0	0	0	0	112.3	A321 V322 F323 Y357	A321-S325 VanDerWaalsContact O-CB 3.25Å; A321-S325 WeakPolarHBondContact O-CB 3.33Å; A321-S325 PolarHBondContact O-N 2.62Å; A321-S325 PolarHBondContact O-OG 3.48Å; V322-S325 PolarHBondContact O-N 2.73Å; F323-S325 VanDerWaalsContact C-N 3.31Å; F323-S325 PolarHBondContact O-N 2.87Å; S325-Y357 VanDerWaalsContact CB-OH 3.26Å; S325-Y357 WeakPolarHBondContact CB-OH 3.46Å
326	V	97.8	Very high	98.4	Very high	6 Å²	6	18.1 Å²	18.1	4%	0.036	10%	0.1	C	C	.	.	H	α-helix	trans	-96	-28.6	-172.9	178.4	0	0	0	0	112.6	V322 A329 Y357 V360 Y372 P414	V322-V326 HydrophobicContact CG1-CG2 4.46Å; V322-V326 VanDerWaalsContact O-CB 3.24Å; V322-V326 WeakPolarHBondContact O-CB 3.32Å; V322-V326 WeakPolarHBondContact O-CG2 3.48Å; V322-V326 PolarHBondContact O-N 2.96Å; V326-A329 VanDerWaalsContact O-CA 3.29Å; V326-A329 WeakPolarHBondContact O-CA 3.49Å; V326-A329 PolarHBondContact O-N 2.71Å; V326-Y357 HydrophobicContact CG2-CD1 4.41Å; V326-Y357 HydrophobicContact CG2-CD2 4.28Å; V326-Y357 HydrophobicContact CG2-CE1 3.8Å; V326-Y357 HydrophobicContact CG2-CE2 3.64Å; V326-V360 HydrophobicContact CG1-CG1 3.89Å; V326-V360 HydrophobicContact CG1-CG2 4.23Å; V326-Y372 HydrophobicContact CG1-CD2 3.42Å; V326-Y372 VanDerWaalsContact CG1-CD2 3.42Å; V326-Y372 HydrophobicContact CG1-CE2 4.07Å; V326-Y372 HydrophobicContact CG1-CG 4.28Å; V326-P414 HydrophobicContact CG1-CB 4.38Å; V326-P414 HydrophobicContact CG2-CB 4.01Å
327	G	97.3	Very high	98.5	Very high	4 Å²	4	15.1 Å²	15.1	4%	0.041	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-53.6	141	-179.3	0	0	0	0	0	112.3	F323 A329 G330	F323-G327 WeakPolarHBondContact O-CA 3.5Å; F323-G327 PolarHBondContact O-N 2.72Å; G327-A329 PolarHBondContact O-N 3.16Å; G327-A329 VanDerWaalsContact O-N 3.11Å; G327-G330 PolarHBondContact O-N 2.76Å
328	T	98.4	Very high	98.5	Very high	8 Å²	8	15.2 Å²	15.2	5%	0.049	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	52.3	29.9	-172.9	-37.4	0	0	0	0	113.4	M139 K141 E145 G330 Q331 R332	M139-T328 HydrophobicContact CE-CG2 3.9Å; M139-T328 HydrophobicContact SD-CG2 4.5Å; K141-T328 HydrophobicContact CB-CG2 3.91Å; E145-T328 VanDerWaalsContact CD-OG1 3.31Å; E145-T328 PolarHBondContact OE1-N 2.92Å; E145-T328 PolarHBondContact OE1-OG1 2.84Å; E145-T328 WeakPolarHBondContact OE2-CB 3.32Å; E145-T328 PolarHBondContact OE2-OG1 3.01Å; T328-G330 PolarHBondContact O-N 3.5Å; T328-Q331 HydrophobicContact CG2-CB 4.46Å; T328-Q331 VanDerWaalsContact O-CB 3.3Å; T328-Q331 WeakPolarHBondContact O-CB 3.29Å; T328-Q331 PolarHBondContact O-N 3.05Å; T328-Q331 PolarHBondContact O-NE2 2.91Å; T328-R332 HydrophobicContact CG2-CG 4.42Å; T328-R332 WeakPolarHBondContact OG1-CG 3.33Å; T328-R332 PolarHBondContact OG1-NE 3.03Å; T328-R332 PolarHBondContact OG1-NH2 2.89Å
329	A	98.7	Very high	98.5	Very high	2 Å²	2	14.7 Å²	14.7	2%	0.017	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	51.8	35.6	-173	0	0	0	0	0	113.9	V326 G327 Q331 Y372 L375 P434	V326-A329 VanDerWaalsContact O-CA 3.29Å; V326-A329 WeakPolarHBondContact O-CA 3.49Å; V326-A329 PolarHBondContact O-N 2.71Å; G327-A329 PolarHBondContact O-N 3.16Å; G327-A329 VanDerWaalsContact O-N 3.11Å; A329-Q331 VanDerWaalsContact C-N 3.26Å; A329-Q331 PolarHBondContact O-N 3.45Å; A329-Y372 HydrophobicContact CB-CD2 4.09Å; A329-Y372 HydrophobicContact CB-CE2 3.62Å; A329-L375 HydrophobicContact CB-CD2 4.32Å; A329-P434 VanDerWaalsContact O-CD 3.28Å; A329-P434 WeakPolarHBondContact O-CD 3.38Å
330	G	98.6	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	75.3	9.9	-179.5	0	0	0	0	0	114.9	G327 T328 T335 R337	G327-G330 PolarHBondContact O-N 2.76Å; T328-G330 PolarHBondContact O-N 3.5Å; G330-T335 PolarHBondContact O-OG1 2.88Å; G330-R337 PolarHBondContact O-NH1 3.46Å
331	Q	98.9	Very high	98.6	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.009	6%	0.055	C	C	.	.			trans	-98.7	28.1	-174.5	-58.5	175.3	116.4	0	0	113.5	M139 F197 N198 T328 A329 L375 F432	M139-Q331 HydrophobicContact CE-CB 4.36Å; F197-Q331 HydrophobicContact CE2-CB 4.46Å; N198-Q331 WeakPolarHBondContact CB-O 3.24Å; N198-Q331 PolarHBondContact ND2-O 3.12Å; T328-Q331 HydrophobicContact CG2-CB 4.46Å; T328-Q331 VanDerWaalsContact O-CB 3.3Å; T328-Q331 WeakPolarHBondContact O-CB 3.29Å; T328-Q331 PolarHBondContact O-N 3.05Å; T328-Q331 PolarHBondContact O-NE2 2.91Å; A329-Q331 VanDerWaalsContact C-N 3.26Å; A329-Q331 PolarHBondContact O-N 3.45Å; Q331-L375 HydrophobicContact CG-CD2 3.96Å; Q331-F432 VanDerWaalsContact C-CE1 3.41Å; Q331-F432 VanDerWaalsContact C-CZ 3.47Å; Q331-F432 VanDerWaalsContact CA-CE1 3.43Å; Q331-F432 HydrophobicContact CB-CD1 3.86Å; Q331-F432 HydrophobicContact CB-CE1 3.61Å; Q331-F432 HydrophobicContact CG-CD1 4.07Å; Q331-F432 HydrophobicContact CG-CE1 4.33Å; Q331-F432 WeakPolarHBondContact O-CE1 3.26Å; Q331-F432 WeakPolarHBondContact O-CZ 3.27Å
332	R	98.9	Very high	98.6	Very high	16 Å²	16	11.5 Å²	11.5	6%	0.06	6%	0.059	C	C	.	.	S	Bend	trans	-89.3	147.8	162.9	-51.4	-175.3	-171.1	137.7	-0.7	109.4	E145 F199 F323 T328 T334 T335 R337	E145-R332 IonicContact OE1-CZ 3.76Å; E145-R332 IonicContact OE1-NH2 2.77Å; E145-R332 PolarHBondContact OE1-NH2 2.9Å; F199-R332 HydrophobicContact CE2-CB 4.18Å; F199-R332 HydrophobicContact CE2-CG 4.17Å; F199-R332 HydrophobicContact CZ-CB 4.38Å; F199-R332 HydrophobicContact CZ-CG 3.97Å; F323-R332 VanDerWaalsContact CZ-NH2 3.29Å; T328-R332 HydrophobicContact CG2-CG 4.42Å; T328-R332 WeakPolarHBondContact OG1-CG 3.33Å; T328-R332 PolarHBondContact OG1-NE 3.03Å; T328-R332 PolarHBondContact OG1-NH2 2.89Å; R332-T334 PolarHBondContact O-N 3.09Å; R332-T335 WeakPolarHBondContact CA-OG1 3.27Å; R332-T335 WeakPolarHBondContact CB-OG1 3.3Å; R332-T335 PolarHBondContact N-OG1 3.42Å; R332-T335 WeakPolarHBondContact O-CB 3.05Å; R332-T335 PolarHBondContact O-N 3.41Å; R332-T335 PolarHBondContact O-OG1 3Å; R332-R337 PolarHBondContact O-NH2 2.62Å
333	C	98.3	Very high	98.6	Very high	27 Å²	27	14.9 Å²	14.9	18%	0.182	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.1	166.5	52.6	0	0	0	0	110.6	N304 L458	N304-C333 PolarHBondContact ND2-O 3.46Å; C333-L458 HydrophobicContact CB-CD2 3.69Å; C333-L458 WeakPolarHBondContact O-CD2 3.39Å
334	T	98.8	Very high	98.7	Very high	9 Å²	9	13 Å²	13	6%	0.055	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	6.5	177.6	56.9	0	0	0	0	114.9	N304 R332 T336 L458 T490 S491 F499	N304-T334 VanDerWaalsContact ND2-C 3.27Å; N304-T334 WeakPolarHBondContact ND2-CA 3.32Å; R332-T334 PolarHBondContact O-N 3.09Å; T334-T336 PolarHBondContact O-N 3.39Å; T334-L458 HydrophobicContact CG2-CD2 4.09Å; T334-T490 WeakPolarHBondContact CB-O 3.5Å; T334-T490 WeakPolarHBondContact O-CB 3.28Å; T334-T490 PolarHBondContact O-OG1 2.84Å; T334-S491 PolarHBondContact O-OG 2.84Å; T334-S491 PolarHBondContact OG1-OG 3.19Å; T334-F499 HydrophobicContact CG2-CE2 3.88Å; T334-F499 HydrophobicContact CG2-CZ 3.98Å
335	T	98.9	Very high	98.7	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.012	8%	0.078	C	C	.	.			trans	-55.3	133.7	177.2	-66	0	0	0	0	110	N304 A324 G330 R332 R337	N304-T335 PolarHBondContact ND2-O 3.35Å; A324-T335 CarbonylContact O-C 3.59Å; A324-T335 WeakPolarHBondContact O-CA 3.48Å; G330-T335 PolarHBondContact O-OG1 2.88Å; R332-T335 WeakPolarHBondContact CA-OG1 3.27Å; R332-T335 WeakPolarHBondContact CB-OG1 3.3Å; R332-T335 PolarHBondContact N-OG1 3.42Å; R332-T335 WeakPolarHBondContact O-CB 3.05Å; R332-T335 PolarHBondContact O-N 3.41Å; R332-T335 PolarHBondContact O-OG1 3Å; T335-R337 HydrophobicContact CG2-CG 4.46Å; T335-R337 WeakPolarHBondContact O-CG 3.23Å; T335-R337 PolarHBondContact O-N 3.1Å
336	T	98.9	Very high	98.7	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	118.4	169.8	-56.9	0	0	0	0	109.1	I306 A324 T334 R338 L436 T490	I306-T336 HydrophobicContact CB-CG2 4.02Å; I306-T336 HydrophobicContact CD1-CG2 3.8Å; I306-T336 VanDerWaalsContact CD1-OG1 3.27Å; I306-T336 WeakPolarHBondContact CD1-OG1 3.17Å; I306-T336 HydrophobicContact CG1-CG2 3.65Å; A324-T336 VanDerWaalsContact CB-OG1 3.22Å; A324-T336 WeakPolarHBondContact CB-OG1 3.41Å; A324-T336 PolarHBondContact O-N 2.72Å; T334-T336 PolarHBondContact O-N 3.39Å; T336-R338 WeakPolarHBondContact CG2-O 3.38Å; T336-L436 HydrophobicContact CG2-CD1 3.94Å; T336-T490 PolarHBondContact N-OG1 3.3Å; T336-T490 PolarHBondContact OG1-OG1 3.49Å
337	R	98.9	Very high	98.7	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.015	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-26.5	178.4	-52.5	-163	-166.7	-76.1	-0.6	112.2	G302 N304 G330 R332 T335 E430 T431 Y437	G302-R337 PolarHBondContact O-NE 2.9Å; N304-R337 PolarHBondContact O-N 3.32Å; G330-R337 PolarHBondContact O-NH1 3.46Å; R332-R337 PolarHBondContact O-NH2 2.62Å; T335-R337 HydrophobicContact CG2-CG 4.46Å; T335-R337 WeakPolarHBondContact O-CG 3.23Å; T335-R337 PolarHBondContact O-N 3.1Å; R337-E430 IonicContact CZ-OE1 3.08Å; R337-E430 IonicContact NE-OE1 3.42Å; R337-E430 IonicContact NH2-OE1 2.69Å; R337-E430 PolarHBondContact NH2-OE1 3Å; R337-T431 PolarHBondContact NH1-O 3.39Å; R337-Y437 WeakPolarHBondContact O-CD2 3.35Å; R337-Y437 PolarHBondContact O-N 3.37Å
338	R	98.9	Very high	98.8	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.3	179.5	-57.7	-179.1	-63.4	140.2	0.1	109.4	N303 N304 A305 I306 T336 V427 Y437 W450 N451	N303-R338 PolarHBondContact O-NE 2.96Å; N303-R338 VanDerWaalsContact O-NE 3.1Å; N303-R338 PolarHBondContact O-NH2 2.89Å; N304-R338 PolarHBondContact O-N 3.14Å; A305-R338 CarbonylContact C-O 3.56Å; A305-R338 VanDerWaalsContact CA-O 3.22Å; A305-R338 WeakPolarHBondContact CA-O 3.06Å; A305-R338 HydrophobicContact CB-CB 4.07Å; I306-R338 PolarHBondContact N-O 2.91Å; T336-R338 WeakPolarHBondContact CG2-O 3.38Å; R338-V427 HydrophobicContact CG-CG1 4.08Å; R338-Y437 CarbonylContact C-O 3.49Å; R338-Y437 WeakPolarHBondContact CA-O 3.26Å; R338-W450 PolarHBondContact NH1-O 3.32Å; R338-N451 PolarHBondContact NH2-O 3.31Å
339	L	98.9	Very high	98.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	106.5	173.8	177.4	64.6	0	0	0	108.6	I306 V308 A321 L341 I353 L436 Y437 V438 L439	I306-L339 HydrophobicContact CB-CD1 3.83Å; I306-L339 HydrophobicContact CG2-CD1 3.65Å; I306-L339 CarbonylContact O-C 3.6Å; I306-L339 WeakPolarHBondContact O-CA 3.3Å; V308-L339 HydrophobicContact CG2-CD1 3.88Å; A321-L339 HydrophobicContact CB-CD1 4.46Å; A321-L339 HydrophobicContact CB-CD2 4.46Å; L339-L341 HydrophobicContact CD1-CD2 3.8Å; L339-L341 HydrophobicContact CD2-CD1 4.24Å; L339-L341 HydrophobicContact CD2-CD2 4.01Å; L339-L341 HydrophobicContact CD2-CG 4.3Å; L339-L341 HydrophobicContact CG-CD1 4.4Å; L339-L341 HydrophobicContact CG-CD2 3.69Å; L339-L341 HydrophobicContact CG-CG 3.95Å; L339-I353 HydrophobicContact CD2-CD1 3.41Å; L339-I353 VanDerWaalsContact CD2-CD1 3.41Å; L339-L436 HydrophobicContact CB-CD1 3.89Å; L339-L436 HydrophobicContact CB-CD2 4.19Å; L339-L436 HydrophobicContact CB-CG 4.16Å; L339-L436 HydrophobicContact CD2-CD2 4.05Å; L339-Y437 PolarHBondContact N-O 3.36Å; L339-V438 HydrophobicContact CB-CG2 4.39Å; L339-V438 HydrophobicContact CD2-CG2 4.37Å; L339-V438 CarbonylContact O-C 3.6Å; L339-V438 VanDerWaalsContact O-CA 3.3Å; L339-V438 WeakPolarHBondContact O-CA 3.14Å; L339-L439 PolarHBondContact O-N 3.06Å
340	M	98.9	Very high	98.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.3	178.6	-57.7	175.7	-172.4	0	0	108.5	A305 I306 I307 V308 L439 F441 W450	A305-M340 HydrophobicContact CB-CE 4.03Å; I306-M340 PolarHBondContact O-N 3.14Å; I307-M340 CarbonylContact C-O 3.54Å; I307-M340 WeakPolarHBondContact CA-O 3.21Å; I307-M340 HydrophobicContact CB-CB 4.46Å; I307-M340 HydrophobicContact CD1-SD 4.38Å; I307-M340 HydrophobicContact CG1-CB 4.27Å; I307-M340 HydrophobicContact CG1-SD 3.98Å; I307-M340 HydrophobicContact CG2-CB 4.31Å; V308-M340 PolarHBondContact N-O 2.95Å; M340-L439 CarbonylContact C-O 3.59Å; M340-L439 WeakPolarHBondContact CA-O 3.49Å; M340-L439 HydrophobicContact CE-CD1 4.09Å; M340-L439 HydrophobicContact CG-CB 4.19Å; M340-L439 HydrophobicContact CG-CD1 4.1Å; M340-F441 HydrophobicContact CB-CD1 3.94Å; M340-F441 HydrophobicContact CB-CE1 4.3Å; M340-W450 HydrophobicContact CE-CB 3.78Å; M340-W450 HydrophobicContact SD-CB 4.04Å
341	L	98.9	Very high	98.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.8	-176.6	-56.8	174.8	0	0	0	109.9	V308 L339 H346 V349 V350 V438 L439 K440 F441	V308-L341 HydrophobicContact CB-CD2 3.67Å; V308-L341 HydrophobicContact CG1-CD2 4.48Å; V308-L341 HydrophobicContact CG2-CD2 3.55Å; L339-L341 HydrophobicContact CD1-CD2 3.8Å; L339-L341 HydrophobicContact CD2-CD1 4.24Å; L339-L341 HydrophobicContact CD2-CD2 4.01Å; L339-L341 HydrophobicContact CD2-CG 4.3Å; L339-L341 HydrophobicContact CG-CD1 4.4Å; L339-L341 HydrophobicContact CG-CD2 3.69Å; L339-L341 HydrophobicContact CG-CG 3.95Å; L341-H346 HydrophobicContact CB-CB 4.05Å; L341-V349 HydrophobicContact CD1-CB 3.92Å; L341-V349 HydrophobicContact CD1-CG1 3.83Å; L341-V349 HydrophobicContact CD2-CB 4.24Å; L341-V349 HydrophobicContact CD2-CG1 3.71Å; L341-V349 HydrophobicContact CG-CG1 4.44Å; L341-V350 HydrophobicContact CD1-CG2 3.92Å; L341-V438 HydrophobicContact CD1-CG1 3.54Å; L341-V438 HydrophobicContact CG-CG1 4.09Å; L341-L439 PolarHBondContact N-O 3.13Å; L341-K440 WeakPolarHBondContact O-CA 3.3Å; L341-F441 WeakPolarHBondContact O-CD1 3.21Å; L341-F441 PolarHBondContact O-N 3.41Å
342	H	98.9	Very high	98.7	Very high	21 Å²	21	31.7 Å²	31.7	10%	0.097	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	140.9	172.6	-174.6	-95.8	0	0	0	110.2	V308 E310 S344 I345 H346 F441 K442	V308-H342 WeakPolarHBondContact O-CB 3.49Å; V308-H342 PolarHBondContact O-N 2.95Å; E310-H342 IonicContact OE2-CE1 3.63Å; H342-S344 PolarHBondContact CE1-OG 2.99Å; H342-S344 PolarHBondContact ND1-N 2.83Å; H342-S344 PolarHBondContact ND1-OG 3.46Å; H342-S344 PolarHBondContact O-N 3.4Å; H342-S344 VanDerWaalsContact O-N 3.07Å; H342-I345 HydrophobicContact CB-CD1 4.5Å; H342-I345 HydrophobicContact CB-CG1 4.15Å; H342-I345 VanDerWaalsContact O-CG1 3.29Å; H342-I345 WeakPolarHBondContact O-CG1 3.29Å; H342-I345 PolarHBondContact O-N 3.07Å; H342-H346 PolarHBondContact O-N 2.98Å; H342-F441 CarbonylContact C-O 3.46Å; H342-F441 WeakPolarHBondContact CA-O 3.34Å; H342-F441 HydrophobicContact CB-CE1 4.08Å; H342-F441 HydrophobicContact CB-CE2 4.19Å; H342-F441 HydrophobicContact CB-CZ 3.8Å; H342-F441 AromaticContact CD2-CE2 3.92Å; H342-K442 PolarHBondContact CD2-O 3.26Å; H342-K442 VanDerWaalsContact CD2-O 3.27Å; H342-K442 PolarHBondContact NE2-O 3.07Å; H342-K442 VanDerWaalsContact NE2-O 3.14Å
343	E	98.7	Very high	98.7	Very high	91 Å²	91	31 Å²	31	43%	0.425	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.2	-171.3	63.5	178.6	-175.7	0	0	113.5	I345 K440 F441 K442	E343-I345 VanDerWaalsContact C-N 3.28Å; E343-I345 PolarHBondContact O-N 3.29Å; E343-K440 HydrophobicContact CB-CD 3.93Å; E343-K440 HydrophobicContact CB-CG 3.91Å; E343-F441 PolarHBondContact N-O 2.81Å; E343-K442 WeakPolarHBondContact OE1-CD 3.46Å; E343-K442 VanDerWaalsContact OE1-CE 3.27Å; E343-K442 WeakPolarHBondContact OE1-CE 3.39Å; E343-K442 WeakPolarHBondContact OE1-CG 3.43Å; E343-K442 IonicContact OE1-NZ 3.63Å
344	S	98.8	Very high	98.7	Very high	73 Å²	73	30.4 Å²	30.4	51%	0.51	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.8	-179.4	66.2	0	0	0	0	114.6	H342	H342-S344 PolarHBondContact CE1-OG 2.99Å; H342-S344 PolarHBondContact ND1-N 2.83Å; H342-S344 PolarHBondContact ND1-OG 3.46Å; H342-S344 PolarHBondContact O-N 3.4Å; H342-S344 VanDerWaalsContact O-N 3.07Å
345	I	98.8	Very high	98.6	Very high	19 Å²	19	35.2 Å²	35.2	10%	0.097	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-7.6	-176.6	58.3	165.1	0	0	0	113.3	V308 F309 L314 H342 E343 D347 T348 V349	V308-I345 HydrophobicContact CB-CD1 4.19Å; V308-I345 HydrophobicContact CG1-CD1 3.53Å; F309-I345 WeakPolarHBondContact O-CD1 3.3Å; L314-I345 HydrophobicContact CD1-CG2 4.45Å; L314-I345 HydrophobicContact CD2-CD1 3.92Å; H342-I345 HydrophobicContact CB-CD1 4.5Å; H342-I345 HydrophobicContact CB-CG1 4.15Å; H342-I345 VanDerWaalsContact O-CG1 3.29Å; H342-I345 WeakPolarHBondContact O-CG1 3.29Å; H342-I345 PolarHBondContact O-N 3.07Å; E343-I345 VanDerWaalsContact C-N 3.28Å; E343-I345 PolarHBondContact O-N 3.29Å; I345-D347 PolarHBondContact O-N 3.3Å; I345-T348 PolarHBondContact O-N 3.49Å; I345-V349 HydrophobicContact CB-CG2 4.27Å; I345-V349 HydrophobicContact CD1-CG2 4.32Å; I345-V349 WeakPolarHBondContact O-CG2 3.47Å; I345-V349 PolarHBondContact O-N 3.43Å
346	H	98.8	Very high	98.6	Very high	15 Å²	15	36.3 Å²	36.3	7%	0.069	19%	0.188	C	C	.	.	H	α-helix	trans	-49.7	-57.9	-172.5	172.5	-80.4	0	0	0	112.7	L341 H342 T348 V349 V350 K440	L341-H346 HydrophobicContact CB-CB 4.05Å; H342-H346 PolarHBondContact O-N 2.98Å; H346-T348 PolarHBondContact O-N 3.25Å; H346-V349 PolarHBondContact O-N 2.78Å; H346-V350 WeakPolarHBondContact O-CG2 3.4Å; H346-V350 PolarHBondContact O-N 3.43Å; H346-K440 HydrophobicContact CB-CG 4.33Å; H346-K440 WeakPolarHBondContact ND1-CE 3.29Å
347	D	98.4	Very high	98.5	Very high	107 Å²	107	37 Å²	37	57%	0.572	19%	0.191	S	C	*	.	H	α-helix	trans	-66.9	-39.8	-172.5	-61.4	-14.4	0	0	0	111.4	I345 V350 E351 K440	I345-D347 PolarHBondContact O-N 3.3Å; D347-V350 PolarHBondContact O-N 2.87Å; D347-E351 WeakPolarHBondContact O-CB 3.23Å; D347-E351 PolarHBondContact O-N 3.14Å; D347-K440 IonicContact OD1-NZ 3.65Å
348	T	98.4	Very high	98.3	Very high	74 Å²	74	45.1 Å²	45.1	45%	0.454	23%	0.226	S	C	.	.	H	α-helix	trans	-62.6	-42.9	176.1	-57.4	0	0	0	0	112.1	I345 H346 R352	I345-T348 PolarHBondContact O-N 3.49Å; H346-T348 PolarHBondContact O-N 3.25Å; T348-R352 VanDerWaalsContact O-CG 3.29Å; T348-R352 WeakPolarHBondContact O-CG 3.23Å; T348-R352 PolarHBondContact O-N 3.34Å; T348-R352 VanDerWaalsContact O-N 3.1Å
349	V	98.7	Very high	98.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-70.9	-42.7	180	172.3	0	0	0	0	110.9	L314 V317 L341 I345 H346 E351 R352 I353	L314-V349 HydrophobicContact CD1-CG2 4.12Å; L314-V349 HydrophobicContact CD2-CG2 3.71Å; L314-V349 HydrophobicContact CG-CG2 4.47Å; V317-V349 HydrophobicContact CG1-CG1 4.34Å; L341-V349 HydrophobicContact CD1-CB 3.92Å; L341-V349 HydrophobicContact CD1-CG1 3.83Å; L341-V349 HydrophobicContact CD2-CB 4.24Å; L341-V349 HydrophobicContact CD2-CG1 3.71Å; L341-V349 HydrophobicContact CG-CG1 4.44Å; I345-V349 HydrophobicContact CB-CG2 4.27Å; I345-V349 HydrophobicContact CD1-CG2 4.32Å; I345-V349 WeakPolarHBondContact O-CG2 3.47Å; I345-V349 PolarHBondContact O-N 3.43Å; H346-V349 PolarHBondContact O-N 2.78Å; V349-E351 VanDerWaalsContact C-N 3.34Å; V349-E351 PolarHBondContact O-N 3Å; V349-R352 PolarHBondContact O-N 3.29Å; V349-I353 HydrophobicContact CG1-CD1 3.62Å; V349-I353 HydrophobicContact CG1-CG1 4.2Å; V349-I353 VanDerWaalsContact O-CG1 3.32Å; V349-I353 WeakPolarHBondContact O-CG1 3.2Å; V349-I353 PolarHBondContact O-N 3.47Å
350	V	98.7	Very high	98.2	Very high	16 Å²	16	52.8 Å²	52.8	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-49.7	174.1	170.3	0	0	0	0	110.5	L341 H346 D347 R352 I353 S354 V399 T418 V438	L341-V350 HydrophobicContact CD1-CG2 3.92Å; H346-V350 WeakPolarHBondContact O-CG2 3.4Å; H346-V350 PolarHBondContact O-N 3.43Å; D347-V350 PolarHBondContact O-N 2.87Å; V350-R352 VanDerWaalsContact C-N 3.35Å; V350-R352 PolarHBondContact O-N 2.82Å; V350-I353 PolarHBondContact O-N 3.48Å; V350-S354 WeakPolarHBondContact O-CB 3.2Å; V350-S354 PolarHBondContact O-N 2.86Å; V350-S354 PolarHBondContact O-OG 3.11Å; V350-S354 VanDerWaalsContact O-OG 3.05Å; V350-V399 HydrophobicContact CG1-CG1 4.15Å; V350-V399 HydrophobicContact CG1-CG2 4.4Å; V350-T418 HydrophobicContact CG1-CG2 4.18Å; V350-T418 HydrophobicContact CG2-CG2 4.13Å; V350-V438 HydrophobicContact CG2-CG1 3.77Å
351	E	98.4	Very high	98.2	Very high	105 Å²	105	59 Å²	59	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-59.7	-44.5	179.8	-169.5	-168.9	167.2	0	0	112	D347 V349 S354 K355	D347-E351 WeakPolarHBondContact O-CB 3.23Å; D347-E351 PolarHBondContact O-N 3.14Å; V349-E351 VanDerWaalsContact C-N 3.34Å; V349-E351 PolarHBondContact O-N 3Å; E351-S354 PolarHBondContact O-N 3.47Å; E351-K355 WeakPolarHBondContact O-CG 3.45Å; E351-K355 PolarHBondContact O-N 2.71Å; E351-K355 WeakPolarHBondContact OE1-CE 3.34Å; E351-K355 IonicContact OE1-NZ 3.86Å; E351-K355 PolarHBondContact OE1-NZ 3.07Å
352	R	98.6	Very high	98.2	Very high	83 Å²	83	61.1 Å²	61.1	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-65	-42.9	179.2	-73	177.4	68.7	175	1.7	112.2	L314 N315 V318 T348 V349 V350 K355 A356	L314-R352 VanDerWaalsContact CB-NH1 3.27Å; N315-R352 PolarHBondContact OD1-NH2 3.34Å; V318-R352 HydrophobicContact CG1-CB 4.31Å; V318-R352 HydrophobicContact CG2-CB 3.8Å; T348-R352 VanDerWaalsContact O-CG 3.29Å; T348-R352 WeakPolarHBondContact O-CG 3.23Å; T348-R352 PolarHBondContact O-N 3.34Å; T348-R352 VanDerWaalsContact O-N 3.1Å; V349-R352 PolarHBondContact O-N 3.29Å; V350-R352 VanDerWaalsContact C-N 3.35Å; V350-R352 PolarHBondContact O-N 2.82Å; R352-K355 PolarHBondContact O-N 2.68Å; R352-A356 PolarHBondContact O-N 3.23Å
353	I	98.1	Very high	98.1	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-43.9	177.1	-65.5	174.2	0	0	0	109.9	V318 A321 V322 L339 V349 V350 K355 A356 Y357 I416	V318-I353 HydrophobicContact CG1-CG1 4.18Å; V318-I353 HydrophobicContact CG2-CG1 4.3Å; A321-I353 HydrophobicContact CB-CD1 3.89Å; V322-I353 HydrophobicContact CG2-CG2 3.96Å; L339-I353 HydrophobicContact CD2-CD1 3.41Å; L339-I353 VanDerWaalsContact CD2-CD1 3.41Å; V349-I353 HydrophobicContact CG1-CD1 3.62Å; V349-I353 HydrophobicContact CG1-CG1 4.2Å; V349-I353 VanDerWaalsContact O-CG1 3.32Å; V349-I353 WeakPolarHBondContact O-CG1 3.2Å; V349-I353 PolarHBondContact O-N 3.47Å; V350-I353 PolarHBondContact O-N 3.48Å; I353-K355 VanDerWaalsContact C-N 3.31Å; I353-K355 PolarHBondContact O-N 3.06Å; I353-A356 WeakPolarHBondContact O-CB 3.35Å; I353-A356 PolarHBondContact O-N 3.26Å; I353-A356 VanDerWaalsContact O-N 3.08Å; I353-Y357 HydrophobicContact CG2-CD2 3.71Å; I353-Y357 HydrophobicContact CG2-CE2 3.47Å; I353-Y357 VanDerWaalsContact CG2-CE2 3.47Å; I353-Y357 VanDerWaalsContact O-CD2 3.29Å; I353-Y357 WeakPolarHBondContact O-CD2 3.41Å; I353-Y357 PolarHBondContact O-N 2.87Å; I353-I416 HydrophobicContact CB-CD1 4.38Å; I353-I416 HydrophobicContact CG2-CD1 3.58Å
354	S	97.2	Very high	98.1	Very high	13 Å²	13	59.8 Å²	59.8	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-37.8	175.6	-62.5	0	0	0	0	112.7	V350 E351 K358 V399	V350-S354 WeakPolarHBondContact O-CB 3.2Å; V350-S354 PolarHBondContact O-N 2.86Å; V350-S354 PolarHBondContact O-OG 3.11Å; V350-S354 VanDerWaalsContact O-OG 3.05Å; E351-S354 PolarHBondContact O-N 3.47Å; S354-K358 PolarHBondContact O-N 3.35Å; S354-V399 VanDerWaalsContact OG-CG1 3.31Å; S354-V399 WeakPolarHBondContact OG-CG1 3.41Å
355	K	98	Very high	98	Very high	110 Å²	110	56.4 Å²	56.4	48%	0.478	27%	0.273	S	S	.	.	H	α-helix	trans	-65.4	-38.9	172.5	-76.2	176.2	-174.9	168.7	0	112.2	E351 R352 I353	E351-K355 WeakPolarHBondContact O-CG 3.45Å; E351-K355 PolarHBondContact O-N 2.71Å; E351-K355 WeakPolarHBondContact OE1-CE 3.34Å; E351-K355 IonicContact OE1-NZ 3.86Å; E351-K355 PolarHBondContact OE1-NZ 3.07Å; R352-K355 PolarHBondContact O-N 2.68Å; I353-K355 VanDerWaalsContact C-N 3.31Å; I353-K355 PolarHBondContact O-N 3.06Å
356	A	97.6	Very high	97.6	Very high	26 Å²	26	59.9 Å²	59.9	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-69	-38.8	176.7	0	0	0	0	0	112.2	V318 V322 R352 I353 K358 Q359	V318-A356 HydrophobicContact CG1-CB 4.4Å; V322-A356 HydrophobicContact CG2-CB 3.74Å; R352-A356 PolarHBondContact O-N 3.23Å; I353-A356 WeakPolarHBondContact O-CB 3.35Å; I353-A356 PolarHBondContact O-N 3.26Å; I353-A356 VanDerWaalsContact O-N 3.08Å; A356-K358 PolarHBondContact O-N 3.29Å; A356-Q359 WeakPolarHBondContact O-CB 3.16Å; A356-Q359 PolarHBondContact O-N 2.85Å
357	Y	97.7	Very high	97.4	Very high	14 Å²	14	62.7 Å²	62.7	6%	0.055	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-36.7	176.3	-91.3	-134.1	0	0	0	112.2	V322 S325 V326 I353 Q359 V360 P414 I416	V322-Y357 HydrophobicContact CB-CE2 4.34Å; V322-Y357 HydrophobicContact CG1-CD2 4.3Å; V322-Y357 HydrophobicContact CG1-CE2 4.26Å; V322-Y357 HydrophobicContact CG2-CD2 4.03Å; V322-Y357 HydrophobicContact CG2-CE2 3.96Å; S325-Y357 VanDerWaalsContact CB-OH 3.26Å; S325-Y357 WeakPolarHBondContact CB-OH 3.46Å; V326-Y357 HydrophobicContact CG2-CD1 4.41Å; V326-Y357 HydrophobicContact CG2-CD2 4.28Å; V326-Y357 HydrophobicContact CG2-CE1 3.8Å; V326-Y357 HydrophobicContact CG2-CE2 3.64Å; I353-Y357 HydrophobicContact CG2-CD2 3.71Å; I353-Y357 HydrophobicContact CG2-CE2 3.47Å; I353-Y357 VanDerWaalsContact CG2-CE2 3.47Å; I353-Y357 VanDerWaalsContact O-CD2 3.29Å; I353-Y357 WeakPolarHBondContact O-CD2 3.41Å; I353-Y357 PolarHBondContact O-N 2.87Å; Y357-Q359 PolarHBondContact O-N 3.09Å; Y357-V360 WeakPolarHBondContact O-CB 3.19Å; Y357-V360 WeakPolarHBondContact O-CG2 3.43Å; Y357-V360 PolarHBondContact O-N 2.86Å; Y357-P414 HydrophobicContact CD1-CB 3.85Å; Y357-P414 HydrophobicContact CD1-CG 4.01Å; Y357-P414 HydrophobicContact CE1-CB 3.74Å; Y357-P414 HydrophobicContact CE1-CG 4.41Å; Y357-I416 HydrophobicContact CD1-CD1 3.93Å; Y357-I416 HydrophobicContact CD1-CG1 3.96Å; Y357-I416 HydrophobicContact CD2-CD1 4.12Å; Y357-I416 HydrophobicContact CE1-CD1 3.9Å; Y357-I416 HydrophobicContact CE1-CG1 3.58Å; Y357-I416 HydrophobicContact CE2-CD1 4.1Å; Y357-I416 HydrophobicContact CG-CD1 4.04Å
358	K	95.9	Very high	96.9	Very high	175 Å²	175	63.4 Å²	63.4	76%	0.761	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.6	175.5	-67.7	177.3	-178.2	-178.8	0	114.1	S354 A356	S354-K358 PolarHBondContact O-N 3.35Å; A356-K358 PolarHBondContact O-N 3.29Å
359	Q	96.9	Very high	96.8	Very high	143 Å²	143	66.9 Å²	66.9	67%	0.668	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-4	-179.8	-58.8	176.8	42.5	0	0	112.7	A356 Y357 R361	A356-Q359 WeakPolarHBondContact O-CB 3.16Å; A356-Q359 PolarHBondContact O-N 2.85Å; Y357-Q359 PolarHBondContact O-N 3.09Å; Q359-R361 PolarHBondContact O-N 3.13Å
360	V	97.9	Very high	96.8	Very high	21 Å²	21	67.4 Å²	67.4	13%	0.127	32%	0.323	C	S	.	.			trans	-64.4	118.9	176.9	176	0	0	0	0	108.7	V322 V326 Y357 I362 L371 Y372	V322-V360 HydrophobicContact CG1-CG2 4.49Å; V326-V360 HydrophobicContact CG1-CG1 3.89Å; V326-V360 HydrophobicContact CG1-CG2 4.23Å; Y357-V360 WeakPolarHBondContact O-CB 3.19Å; Y357-V360 WeakPolarHBondContact O-CG2 3.43Å; Y357-V360 PolarHBondContact O-N 2.86Å; V360-I362 HydrophobicContact CG1-CG1 4.27Å; V360-I362 PolarHBondContact O-N 3.44Å; V360-L371 HydrophobicContact CG1-CB 4.49Å; V360-Y372 HydrophobicContact CG1-CG 4.27Å
361	R	98.4	Very high	96.7	Very high	132 Å²	132	70.3 Å²	70.3	50%	0.498	34%	0.337	S	S	.	.			trans	-81.1	106.5	-179.4	-65.1	-175.9	-60.5	-87.7	-0	109.8	Q359 K369 L371 Y372	Q359-R361 PolarHBondContact O-N 3.13Å; R361-K369 PolarHBondContact NE-O 3.42Å; R361-K369 PolarHBondContact NH2-O 3.37Å; R361-L371 PolarHBondContact O-N 3.41Å; R361-Y372 PolarHBondContact O-N 3.36Å
362	I	98.7	Very high	96.7	Very high	43 Å²	43	65.3 Å²	65.3	22%	0.221	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-96.3	122.6	-178	-56.1	173.2	0	0	0	110	V360 Y372 M405 R407 Y411	V360-I362 HydrophobicContact CG1-CG1 4.27Å; V360-I362 PolarHBondContact O-N 3.44Å; I362-Y372 WeakPolarHBondContact CA-O 3.49Å; I362-Y372 HydrophobicContact CB-CD1 4.2Å; I362-Y372 HydrophobicContact CD1-CD1 4.1Å; I362-Y372 HydrophobicContact CD1-CE1 4.39Å; I362-Y372 HydrophobicContact CG1-CD1 3.67Å; I362-Y372 HydrophobicContact CG1-CE1 4.43Å; I362-Y372 HydrophobicContact CG1-CG 4.2Å; I362-Y372 HydrophobicContact CG2-CD1 3.76Å; I362-Y372 HydrophobicContact CG2-CE1 4.33Å; I362-M405 HydrophobicContact CB-CE 4.29Å; I362-M405 HydrophobicContact CB-SD 4.46Å; I362-M405 HydrophobicContact CD1-CE 3.79Å; I362-M405 HydrophobicContact CD1-SD 3.73Å; I362-M405 HydrophobicContact CG2-CE 4Å; I362-M405 HydrophobicContact CG2-SD 3.7Å; I362-R407 PolarHBondContact O-NH1 3.24Å; I362-R407 VanDerWaalsContact O-NH1 3.16Å; I362-Y411 HydrophobicContact CG2-CD1 3.68Å; I362-Y411 HydrophobicContact CG2-CE1 4.03Å
363	G	98.2	Very high	96.8	Very high	10 Å²	10	61.6 Å²	61.6	10%	0.103	30%	0.301	C	S	.	.			trans	-165.5	-173.9	-171.3	0	0	0	0	0	113.4	T370 Y372 Y411	G363-T370 WeakPolarHBondContact CA-OG1 3.46Å; G363-T370 WeakPolarHBondContact O-CG2 3.43Å; G363-Y372 PolarHBondContact N-O 3.43Å; G363-Y411 WeakPolarHBondContact O-CE1 3.34Å; G363-Y411 PolarHBondContact O-OH 2.64Å
364	D	97.9	Very high	96.8	Very high	75 Å²	75	61.5 Å²	61.5	40%	0.401	30%	0.301	S	S	.	.			trans	-56.3	126.6	169	-172	-36	0	0	0	108.8	W366 D367 T370	D364-W366 PolarHBondContact O-N 3.24Å; D364-W366 VanDerWaalsContact O-N 3.08Å; D364-W366 PolarHBondContact OD1-N 3.46Å; D364-D367 PolarHBondContact O-N 3.01Å; D364-T370 VanDerWaalsContact O-CB 3.23Å; D364-T370 WeakPolarHBondContact O-CB 3.49Å; D364-T370 PolarHBondContact O-OG1 3.23Å
365	P	97	Very high	96.9	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.013	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.5	-180	-25.4	35.5	0	0	0	114.6	A75 S136 G140 K141 I142 F143 P374	A75-P365 HydrophobicContact CB-CG 4.32Å; S136-P365 VanDerWaalsContact OG-CB 3.29Å; S136-P365 WeakPolarHBondContact OG-CB 3.23Å; S136-P365 PolarHBondContact OG-O 3.01Å; G140-P365 VanDerWaalsContact O-CG 3.23Å; G140-P365 WeakPolarHBondContact O-CG 3.49Å; K141-P365 VanDerWaalsContact O-CB 3.3Å; K141-P365 WeakPolarHBondContact O-CB 3.16Å; I142-P365 CarbonylContact C-O 3.59Å; I142-P365 WeakPolarHBondContact CA-O 3.33Å; F143-P365 PolarHBondContact N-O 2.99Å; P365-P374 VanDerWaalsContact CG-CD 3.42Å; P365-P374 HydrophobicContact CG-CG 4.36Å
366	W	89.8	Confident	96.9	Very high	92 Å²	92	56.3 Å²	56.3	35%	0.348	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-16.4	178.4	-159	15.6	0	0	0	113.6	Y42 W44 S133 F143 D364	Y42-W366 HydrophobicContact CD1-CZ3 4.28Å; Y42-W366 HydrophobicContact CE1-CE3 4.47Å; Y42-W366 HydrophobicContact CE1-CZ3 4.09Å; W44-W366 AromaticContact CD1-CH2 3.7Å; W44-W366 AromaticContact CE2-CH2 3.75Å; W44-W366 HydrophobicContact CZ2-CH2 4.2Å; W44-W366 HydrophobicContact CZ2-CZ2 4.34Å; W44-W366 HydrophobicContact CZ2-CZ3 4.42Å; W44-W366 AromaticContact NE1-CH2 3.03Å; W44-W366 AromaticContact NE1-CZ2 3.7Å; W44-W366 AromaticContact NE1-CZ3 3.64Å; S133-W366 PolarHBondContact OG-NE1 3.18Å; F143-W366 AromaticContact CD2-CD1 3.96Å; D364-W366 PolarHBondContact O-N 3.24Å; D364-W366 VanDerWaalsContact O-N 3.08Å; D364-W366 PolarHBondContact OD1-N 3.46Å
367	D	94	Very high	97	Very high	73 Å²	73	56.8 Å²	56.8	39%	0.39	28%	0.277	S	S	.	.	S	Bend	trans	-70.7	124.8	173.8	-177	-32.5	0	0	0	109.9	D364 K369 T370	D364-D367 PolarHBondContact O-N 3.01Å; D367-K369 PolarHBondContact O-N 3.36Å; D367-K369 WeakPolarHBondContact OD1-CB 3.41Å; D367-K369 PolarHBondContact OD1-N 3.49Å; D367-T370 WeakPolarHBondContact O-CB 3.45Å; D367-T370 PolarHBondContact O-N 3.49Å; D367-T370 PolarHBondContact O-OG1 2.94Å
368	P	89	Confident	97	Very high	122 Å²	122	61.8 Å²	61.8	79%	0.792	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.6	-176.9	26.5	-36.9	0	0	0	114.2
369	K	95.5	Very high	97.1	Very high	148 Å²	148	58.7 Å²	58.7	64%	0.643	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-18.4	176	-63.5	176.2	-177.9	172.7	0	112.3	R361 D367	R361-K369 PolarHBondContact NE-O 3.42Å; R361-K369 PolarHBondContact NH2-O 3.37Å; D367-K369 PolarHBondContact O-N 3.36Å; D367-K369 WeakPolarHBondContact OD1-CB 3.41Å; D367-K369 PolarHBondContact OD1-N 3.49Å
370	T	98.4	Very high	97.2	Very high	10 Å²	10	52.2 Å²	52.2	6%	0.061	26%	0.259	C	S	.	.			trans	-68	133.9	-176.8	-64	0	0	0	0	111.1	I142 G363 D364 D367 Y372	I142-T370 HydrophobicContact CG2-CG2 3.9Å; G363-T370 WeakPolarHBondContact CA-OG1 3.46Å; G363-T370 WeakPolarHBondContact O-CG2 3.43Å; D364-T370 VanDerWaalsContact O-CB 3.23Å; D364-T370 WeakPolarHBondContact O-CB 3.49Å; D364-T370 PolarHBondContact O-OG1 3.23Å; D367-T370 WeakPolarHBondContact O-CB 3.45Å; D367-T370 PolarHBondContact O-N 3.49Å; D367-T370 PolarHBondContact O-OG1 2.94Å; T370-Y372 VanDerWaalsContact CG2-O 3.27Å; T370-Y372 WeakPolarHBondContact CG2-O 3.45Å
371	L	98.1	Very high	97.3	Very high	77 Å²	77	52 Å²	52	40%	0.403	26%	0.258	S	S	.	.	S	Bend	trans	-110.9	-12.9	173	-62.4	-179	0	0	0	112.5	V360 R361	V360-L371 HydrophobicContact CG1-CB 4.49Å; R361-L371 PolarHBondContact O-N 3.41Å
372	Y	98.8	Very high	97.3	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-147.2	121.9	-175.7	179.1	-86.8	0	0	0	110.8	V326 A329 V360 R361 I362 G363 T370 V412 P414 P434	V326-Y372 HydrophobicContact CG1-CD2 3.42Å; V326-Y372 VanDerWaalsContact CG1-CD2 3.42Å; V326-Y372 HydrophobicContact CG1-CE2 4.07Å; V326-Y372 HydrophobicContact CG1-CG 4.28Å; A329-Y372 HydrophobicContact CB-CD2 4.09Å; A329-Y372 HydrophobicContact CB-CE2 3.62Å; V360-Y372 HydrophobicContact CG1-CG 4.27Å; R361-Y372 PolarHBondContact O-N 3.36Å; I362-Y372 WeakPolarHBondContact CA-O 3.49Å; I362-Y372 HydrophobicContact CB-CD1 4.2Å; I362-Y372 HydrophobicContact CD1-CD1 4.1Å; I362-Y372 HydrophobicContact CD1-CE1 4.39Å; I362-Y372 HydrophobicContact CG1-CD1 3.67Å; I362-Y372 HydrophobicContact CG1-CE1 4.43Å; I362-Y372 HydrophobicContact CG1-CG 4.2Å; I362-Y372 HydrophobicContact CG2-CD1 3.76Å; I362-Y372 HydrophobicContact CG2-CE1 4.33Å; G363-Y372 PolarHBondContact N-O 3.43Å; T370-Y372 VanDerWaalsContact CG2-O 3.27Å; T370-Y372 WeakPolarHBondContact CG2-O 3.45Å; Y372-V412 VanDerWaalsContact CE1-O 3.24Å; Y372-V412 WeakPolarHBondContact CE1-O 3.46Å; Y372-V412 WeakPolarHBondContact OH-CG2 3.16Å; Y372-V412 PolarHBondContact OH-O 2.66Å; Y372-P414 HydrophobicContact CE2-CB 4.22Å; Y372-P434 HydrophobicContact CE2-CB 4.23Å; Y372-P434 HydrophobicContact CE2-CG 4.13Å; Y372-P434 WeakPolarHBondContact OH-CG 3.19Å
373	G	98.6	Very high	97.3	Very high	4 Å²	4	54.5 Å²	54.5	4%	0.041	27%	0.274	C	S	.	.			trans	-99	-168.5	178.5	0	0	0	0	0	113.4	Y411	G373-Y411 VanDerWaalsContact C-CE1 3.49Å
374	P	98.9	Very high	97.3	Very high	1 Å²	1	54 Å²	54	1%	0.006	27%	0.269	C	S	.	.			trans	-75.9	164	176.6	35.9	-38.6	0	0	0	111.8	P74 A75 P365 N410 Y411	P74-P374 HydrophobicContact CB-CB 4.3Å; P74-P374 HydrophobicContact CB-CG 3.78Å; P74-P374 HydrophobicContact CG-CG 3.9Å; P74-P374 WeakPolarHBondContact O-CB 3.48Å; A75-P374 HydrophobicContact CB-CG 4.16Å; P365-P374 VanDerWaalsContact CG-CD 3.42Å; P365-P374 HydrophobicContact CG-CG 4.36Å; P374-N410 HydrophobicContact CB-CB 4.22Å; P374-Y411 HydrophobicContact CB-CD1 4.23Å; P374-Y411 HydrophobicContact CB-CD2 4.06Å; P374-Y411 HydrophobicContact CB-CE1 4.1Å; P374-Y411 HydrophobicContact CB-CE2 3.91Å; P374-Y411 HydrophobicContact CB-CG 4.22Å; P374-Y411 HydrophobicContact CG-CE2 4.48Å
375	L	98.9	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.			trans	-65	154.8	158.3	-68.8	-180	0	0	0	110.5	P74 A329 Q331 T377 A380 V381 N410 V412 V433	P74-L375 WeakPolarHBondContact CB-O 3.22Å; A329-L375 HydrophobicContact CB-CD2 4.32Å; Q331-L375 HydrophobicContact CG-CD2 3.96Å; L375-T377 VanDerWaalsContact C-N 3.35Å; L375-T377 PolarHBondContact O-N 3.4Å; L375-A380 HydrophobicContact CB-CB 4.02Å; L375-A380 HydrophobicContact CD1-CB 4.02Å; L375-A380 HydrophobicContact CG-CB 4.5Å; L375-V381 HydrophobicContact CB-CG2 4.41Å; L375-V381 HydrophobicContact CD1-CG2 4.1Å; L375-N410 HydrophobicContact CB-CB 4.23Å; L375-N410 WeakPolarHBondContact CB-O 3.4Å; L375-N410 PolarHBondContact N-O 3.32Å; L375-N410 WeakPolarHBondContact O-CB 3.49Å; L375-N410 PolarHBondContact O-ND2 3.24Å; L375-N410 VanDerWaalsContact O-ND2 3.1Å; L375-V412 HydrophobicContact CD1-CG1 3.89Å; L375-V412 HydrophobicContact CD1-CG2 3.76Å; L375-V412 HydrophobicContact CG-CG2 3.98Å; L375-V433 HydrophobicContact CD1-CG1 4.2Å
376	H	98.8	Very high	97.5	Very high	13 Å²	13	56 Å²	56	6%	0.06	29%	0.285	C	S	.	.	S	Bend	trans	-67.6	-33.9	-173.8	-176.5	57.2	0	0	0	113.1	P74 E138 M139 F197 T225 N410	P74-H376 WeakPolarHBondContact CB-O 3.48Å; E138-H376 PolarHBondContact O-CE1 2.91Å; M139-H376 PolarHBondContact O-ND1 2.76Å; F197-H376 HydrophobicContact CD2-CB 3.65Å; F197-H376 AromaticContact CD2-CD2 3.19Å; F197-H376 WeakPolarHBondContact CD2-CD2 3.2Å; F197-H376 AromaticContact CD2-CG 3.33Å; F197-H376 AromaticContact CD2-ND1 3.98Å; F197-H376 AromaticContact CD2-NE2 3.82Å; F197-H376 HydrophobicContact CE2-CB 3.34Å; F197-H376 AromaticContact CE2-CD2 3.77Å; F197-H376 AromaticContact CE2-CG 3.62Å; F197-H376 AromaticContact CG-CD2 3.46Å; F197-H376 VanDerWaalsContact CG-CD2 3.46Å; F197-H376 WeakPolarHBondContact CG-CD2 3.37Å; F197-H376 AromaticContact CG-NE2 3.89Å; F197-H376 HydrophobicContact CZ-CB 4.12Å; T225-H376 WeakPolarHBondContact CB-NE2 3.13Å; T225-H376 PolarHBondContact OG1-NE2 3.01Å; H376-N410 PolarHBondContact O-ND2 2.87Å
377	T	98.8	Very high	97.9	Very high	36 Å²	36	51.7 Å²	51.7	22%	0.221	27%	0.269	C	S	.	.			trans	-138.6	163.2	-177.3	67.5	0	0	0	0	112.8	L375 Q379 A380 V381	L375-T377 VanDerWaalsContact C-N 3.35Å; L375-T377 PolarHBondContact O-N 3.4Å; T377-Q379 VanDerWaalsContact C-N 3.28Å; T377-Q379 PolarHBondContact O-N 3.39Å; T377-A380 WeakPolarHBondContact O-CB 3.42Å; T377-A380 PolarHBondContact O-N 3.44Å; T377-A380 PolarHBondContact OG1-N 3.45Å; T377-V381 PolarHBondContact O-N 3.18Å
378	K	98.6	Very high	98.1	Very high	120 Å²	120	48.2 Å²	48.2	52%	0.522	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-35.2	172.2	-68.3	-178.1	178.1	179.2	0	111.9	A380 V381 E382 N410	K378-A380 VanDerWaalsContact C-N 3.25Å; K378-A380 PolarHBondContact O-N 2.87Å; K378-V381 WeakPolarHBondContact O-CA 3.36Å; K378-V381 VanDerWaalsContact O-CB 3.3Å; K378-V381 WeakPolarHBondContact O-CB 3.39Å; K378-V381 PolarHBondContact O-N 3.1Å; K378-E382 PolarHBondContact O-N 2.78Å; K378-N410 WeakPolarHBondContact CG-OD1 3.16Å
379	Q	98.6	Very high	98.6	Very high	109 Å²	109	46.7 Å²	46.7	51%	0.509	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-33.7	175.3	-65.9	76.9	12.6	0	0	111.6	T377 V381 E382 Q383	T377-Q379 VanDerWaalsContact C-N 3.28Å; T377-Q379 PolarHBondContact O-N 3.39Å; Q379-V381 VanDerWaalsContact C-N 3.32Å; Q379-E382 PolarHBondContact O-N 3.01Å; Q379-Q383 VanDerWaalsContact O-CG 3.31Å; Q379-Q383 WeakPolarHBondContact O-CG 3.48Å; Q379-Q383 PolarHBondContact O-N 2.85Å
380	A	98.8	Very high	98.7	Very high	8 Å²	8	43.5 Å²	43.5	7%	0.066	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-34.8	173	0	0	0	0	0	111.9	L375 T377 K378 Q383 Y384 V433	L375-A380 HydrophobicContact CB-CB 4.02Å; L375-A380 HydrophobicContact CD1-CB 4.02Å; L375-A380 HydrophobicContact CG-CB 4.5Å; T377-A380 WeakPolarHBondContact O-CB 3.42Å; T377-A380 PolarHBondContact O-N 3.44Å; T377-A380 PolarHBondContact OG1-N 3.45Å; K378-A380 VanDerWaalsContact C-N 3.25Å; K378-A380 PolarHBondContact O-N 2.87Å; A380-Q383 PolarHBondContact O-N 3.3Å; A380-Y384 WeakPolarHBondContact O-CB 3.27Å; A380-Y384 PolarHBondContact O-N 3.11Å; A380-V433 WeakPolarHBondContact O-CG1 3.4Å
381	V	98.9	Very high	98.7	Very high	17 Å²	17	43 Å²	43	10%	0.103	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-42	172.8	-178.6	0	0	0	0	111.1	L375 T377 K378 Q379 Y384 L385 V404 N410 V412	L375-V381 HydrophobicContact CB-CG2 4.41Å; L375-V381 HydrophobicContact CD1-CG2 4.1Å; T377-V381 PolarHBondContact O-N 3.18Å; K378-V381 WeakPolarHBondContact O-CA 3.36Å; K378-V381 VanDerWaalsContact O-CB 3.3Å; K378-V381 WeakPolarHBondContact O-CB 3.39Å; K378-V381 PolarHBondContact O-N 3.1Å; Q379-V381 VanDerWaalsContact C-N 3.32Å; V381-Y384 WeakPolarHBondContact O-CB 3.32Å; V381-Y384 PolarHBondContact O-N 2.94Å; V381-L385 PolarHBondContact O-N 3.03Å; V381-V404 HydrophobicContact CG1-CG1 4.19Å; V381-V404 HydrophobicContact CG1-CG2 3.54Å; V381-N410 HydrophobicContact CG2-CB 3.74Å; V381-V412 HydrophobicContact CB-CG1 4.37Å; V381-V412 HydrophobicContact CG1-CG1 3.87Å; V381-V412 HydrophobicContact CG2-CG1 4.14Å
382	E	98.8	Very high	98.8	Very high	123 Å²	123	44 Å²	44	58%	0.575	22%	0.218	S	C	*	.	H	α-helix	trans	-62.5	-43.2	175.3	-66.8	167.7	-174.1	0	0	111.5	K378 Q379 Y384 L385 A386	K378-E382 PolarHBondContact O-N 2.78Å; Q379-E382 PolarHBondContact O-N 3.01Å; E382-Y384 VanDerWaalsContact C-N 3.34Å; E382-Y384 PolarHBondContact O-N 2.98Å; E382-L385 PolarHBondContact O-N 2.91Å; E382-A386 WeakPolarHBondContact O-CB 3.34Å; E382-A386 PolarHBondContact O-N 2.99Å
383	Q	98.8	Very high	98.7	Very high	103 Å²	103	51.3 Å²	51.3	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-39.6	174.9	-72.3	174.6	8.7	0	0	112.3	Q379 A380 A386 A387 T431	Q379-Q383 VanDerWaalsContact O-CG 3.31Å; Q379-Q383 WeakPolarHBondContact O-CG 3.48Å; Q379-Q383 PolarHBondContact O-N 2.85Å; A380-Q383 PolarHBondContact O-N 3.3Å; Q383-A386 PolarHBondContact O-N 3.4Å; Q383-A387 WeakPolarHBondContact O-CB 3.5Å; Q383-A387 PolarHBondContact O-N 3.15Å; Q383-T431 HydrophobicContact CB-CG2 4.28Å
384	Y	98.9	Very high	98.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-50.1	174.5	167.4	-93.8	0	0	0	111.5	A380 V381 E382 A386 A387 I388 G402 K403 V412 E413 T415 V433 I435	A380-Y384 WeakPolarHBondContact O-CB 3.27Å; A380-Y384 PolarHBondContact O-N 3.11Å; V381-Y384 WeakPolarHBondContact O-CB 3.32Å; V381-Y384 PolarHBondContact O-N 2.94Å; E382-Y384 VanDerWaalsContact C-N 3.34Å; E382-Y384 PolarHBondContact O-N 2.98Å; Y384-A386 PolarHBondContact O-N 3.28Å; Y384-A387 PolarHBondContact O-N 3.39Å; Y384-I388 HydrophobicContact CD1-CD1 3.68Å; Y384-I388 HydrophobicContact CD2-CD1 4.1Å; Y384-I388 HydrophobicContact CE1-CD1 3.22Å; Y384-I388 HydrophobicContact CE2-CD1 3.73Å; Y384-I388 HydrophobicContact CG-CD1 4.1Å; Y384-I388 WeakPolarHBondContact O-CD1 3.18Å; Y384-I388 WeakPolarHBondContact O-CG1 3.34Å; Y384-I388 PolarHBondContact O-N 3.47Å; Y384-I388 VanDerWaalsContact O-N 3.09Å; Y384-G402 WeakPolarHBondContact OH-CA 3.33Å; Y384-G402 PolarHBondContact OH-N 3.42Å; Y384-K403 PolarHBondContact OH-N 3.39Å; Y384-K403 VanDerWaalsContact OH-N 3.12Å; Y384-K403 PolarHBondContact OH-O 3.34Å; Y384-V412 HydrophobicContact CD1-CB 3.83Å; Y384-V412 HydrophobicContact CD1-CG1 3.63Å; Y384-V412 HydrophobicContact CD1-CG2 4.29Å; Y384-V412 HydrophobicContact CD2-CB 4.27Å; Y384-V412 HydrophobicContact CD2-CG2 3.86Å; Y384-V412 HydrophobicContact CE1-CB 3.63Å; Y384-V412 HydrophobicContact CE1-CG1 3.89Å; Y384-V412 HydrophobicContact CE1-CG2 4.27Å; Y384-V412 HydrophobicContact CE2-CB 4.05Å; Y384-V412 HydrophobicContact CE2-CG2 3.79Å; Y384-V412 HydrophobicContact CG-CB 4.13Å; Y384-V412 HydrophobicContact CG-CG1 4.02Å; Y384-V412 HydrophobicContact CG-CG2 4.08Å; Y384-E413 WeakPolarHBondContact CE2-O 3.42Å; Y384-E413 PolarHBondContact OH-O 2.91Å; Y384-T415 WeakPolarHBondContact CE2-OG1 3.49Å; Y384-T415 PolarHBondContact OH-OG1 3.1Å; Y384-V433 HydrophobicContact CD2-CB 4.07Å; Y384-V433 HydrophobicContact CD2-CG2 4.12Å; Y384-I435 HydrophobicContact CD2-CD1 3.97Å; Y384-I435 HydrophobicContact CD2-CG1 3.89Å; Y384-I435 HydrophobicContact CE2-CD1 4.38Å; Y384-I435 HydrophobicContact CE2-CG1 3.95Å
385	L	98.8	Very high	98.7	Very high	74 Å²	74	56.1 Å²	56.1	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-61.9	-44.2	177.7	-73.2	175.6	0	0	0	111.9	V381 E382 A387 I388 E389 V404	V381-L385 PolarHBondContact O-N 3.03Å; E382-L385 PolarHBondContact O-N 2.91Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 2.85Å; L385-I388 PolarHBondContact O-N 2.89Å; L385-E389 PolarHBondContact O-N 2.83Å; L385-E389 VanDerWaalsContact O-N 3.1Å; L385-V404 HydrophobicContact CD1-CG2 3.81Å; L385-V404 HydrophobicContact CD2-CG2 3.97Å; L385-V404 HydrophobicContact CG-CG2 4Å
386	A	98.8	Very high	98.7	Very high	45 Å²	45	56.5 Å²	56.5	37%	0.372	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-40.2	178.4	0	0	0	0	0	112.3	E382 Q383 Y384 E389 Q390	E382-A386 WeakPolarHBondContact O-CB 3.34Å; E382-A386 PolarHBondContact O-N 2.99Å; Q383-A386 PolarHBondContact O-N 3.4Å; Y384-A386 PolarHBondContact O-N 3.28Å; A386-E389 PolarHBondContact O-N 3.08Å; A386-Q390 WeakPolarHBondContact O-CB 3.47Å; A386-Q390 VanDerWaalsContact O-CG 3.29Å; A386-Q390 WeakPolarHBondContact O-CG 3.37Å; A386-Q390 PolarHBondContact O-N 3.2Å; A386-Q390 PolarHBondContact O-NE2 3.46Å
387	A	98.8	Very high	98.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-67.4	-37.1	177.8	0	0	0	0	0	112.4	Q383 Y384 L385 Q390 A391 I426 T431 I435	Q383-A387 WeakPolarHBondContact O-CB 3.5Å; Q383-A387 PolarHBondContact O-N 3.15Å; Y384-A387 PolarHBondContact O-N 3.39Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 2.85Å; A387-Q390 PolarHBondContact O-N 2.62Å; A387-A391 VanDerWaalsContact O-CB 3.3Å; A387-A391 WeakPolarHBondContact O-CB 3.45Å; A387-A391 PolarHBondContact O-N 2.79Å; A387-I426 HydrophobicContact CB-CD1 4.01Å; A387-T431 HydrophobicContact CB-CG2 3.84Å; A387-I435 HydrophobicContact CB-CD1 3.68Å
388	I	98.8	Very high	98.7	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-46.2	174.5	-73.2	158.4	0	0	0	111.3	Y384 L385 A391 K392 V398 I435	Y384-I388 HydrophobicContact CD1-CD1 3.68Å; Y384-I388 HydrophobicContact CD2-CD1 4.1Å; Y384-I388 HydrophobicContact CE1-CD1 3.22Å; Y384-I388 HydrophobicContact CE2-CD1 3.73Å; Y384-I388 HydrophobicContact CG-CD1 4.1Å; Y384-I388 WeakPolarHBondContact O-CD1 3.18Å; Y384-I388 WeakPolarHBondContact O-CG1 3.34Å; Y384-I388 PolarHBondContact O-N 3.47Å; Y384-I388 VanDerWaalsContact O-N 3.09Å; L385-I388 PolarHBondContact O-N 2.89Å; I388-A391 PolarHBondContact O-N 3.37Å; I388-K392 HydrophobicContact CG2-CD 4.41Å; I388-K392 WeakPolarHBondContact O-CG 3.42Å; I388-K392 PolarHBondContact O-N 3.05Å; I388-V398 HydrophobicContact CG2-CG2 4.32Å; I388-I435 HydrophobicContact CG1-CD1 3.9Å
389	E	98.7	Very high	98.7	Very high	89 Å²	89	57.3 Å²	57.3	42%	0.416	31%	0.307	S	S	.	.	H	α-helix	trans	-65.6	-40.6	179.3	-69.3	-54.1	122.9	0	0	111.7	L385 A386 A391 K392 Q393	L385-E389 PolarHBondContact O-N 2.83Å; L385-E389 VanDerWaalsContact O-N 3.1Å; A386-E389 PolarHBondContact O-N 3.08Å; E389-A391 VanDerWaalsContact C-N 3.35Å; E389-A391 PolarHBondContact O-N 3.48Å; E389-K392 PolarHBondContact O-N 3.08Å; E389-K392 IonicContact OE1-NZ 3.92Å; E389-K392 PolarHBondContact OE1-NZ 3.34Å; E389-Q393 VanDerWaalsContact O-CG 3.24Å; E389-Q393 WeakPolarHBondContact O-CG 3.36Å; E389-Q393 PolarHBondContact O-N 2.76Å
390	Q	98.7	Very high	98.6	Very high	82 Å²	82	53.2 Å²	53.2	38%	0.383	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-41.7	173.1	-74.1	174	53.6	0	0	112.3	A386 A387 Q393 Q394 I426	A386-Q390 WeakPolarHBondContact O-CB 3.47Å; A386-Q390 VanDerWaalsContact O-CG 3.29Å; A386-Q390 WeakPolarHBondContact O-CG 3.37Å; A386-Q390 PolarHBondContact O-N 3.2Å; A386-Q390 PolarHBondContact O-NE2 3.46Å; A387-Q390 PolarHBondContact O-N 2.62Å; Q390-Q393 PolarHBondContact O-N 3.48Å; Q390-Q394 WeakPolarHBondContact O-CB 3.41Å; Q390-Q394 VanDerWaalsContact O-CG 3.3Å; Q390-Q394 WeakPolarHBondContact O-CG 3.44Å; Q390-Q394 PolarHBondContact O-N 3.25Å; Q390-I426 HydrophobicContact CB-CD1 4.25Å; Q390-I426 HydrophobicContact CB-CG1 4.3Å
391	A	98.8	Very high	98.6	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.7	-42.8	177	0	0	0	0	0	112	A387 I388 E389 Q394 G395 G396 I417 L420 I426	A387-A391 VanDerWaalsContact O-CB 3.3Å; A387-A391 WeakPolarHBondContact O-CB 3.45Å; A387-A391 PolarHBondContact O-N 2.79Å; I388-A391 PolarHBondContact O-N 3.37Å; E389-A391 VanDerWaalsContact C-N 3.35Å; E389-A391 PolarHBondContact O-N 3.48Å; A391-Q394 PolarHBondContact O-N 2.9Å; A391-G395 PolarHBondContact O-N 3.03Å; A391-G396 WeakPolarHBondContact O-CA 3.39Å; A391-G396 PolarHBondContact O-N 3.08Å; A391-I417 HydrophobicContact CB-CD1 3.5Å; A391-I417 HydrophobicContact CB-CG2 4.32Å; A391-L420 HydrophobicContact CB-CD1 4.15Å; A391-I426 HydrophobicContact CB-CG2 4.25Å
392	K	98.6	Very high	98.6	Very high	98 Å²	98	53.7 Å²	53.7	43%	0.426	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-44.1	173.8	-69	172.2	-172.5	164.9	0	112.1	I388 E389 Q394 G395 V398	I388-K392 HydrophobicContact CG2-CD 4.41Å; I388-K392 WeakPolarHBondContact O-CG 3.42Å; I388-K392 PolarHBondContact O-N 3.05Å; E389-K392 PolarHBondContact O-N 3.08Å; E389-K392 IonicContact OE1-NZ 3.92Å; E389-K392 PolarHBondContact OE1-NZ 3.34Å; K392-Q394 PolarHBondContact O-N 2.69Å; K392-G395 PolarHBondContact O-N 2.73Å; K392-V398 HydrophobicContact CG-CG2 4.43Å
393	Q	98.6	Very high	98.6	Very high	153 Å²	153	54.3 Å²	54.3	72%	0.715	30%	0.3	S	S	*	.	H	α-helix	trans	-61.6	-29.6	177.7	-71.8	167.5	10.3	0	0	112.5	E389 Q390 G395	E389-Q393 VanDerWaalsContact O-CG 3.24Å; E389-Q393 WeakPolarHBondContact O-CG 3.36Å; E389-Q393 PolarHBondContact O-N 2.76Å; Q390-Q393 PolarHBondContact O-N 3.48Å; Q393-G395 VanDerWaalsContact C-N 3.28Å
394	Q	98.4	Very high	98.6	Very high	56 Å²	56	52.6 Å²	52.6	26%	0.262	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	8.6	176.6	-67.5	169.6	39.2	0	0	113.1	Q390 A391 K392 L420 I426	Q390-Q394 WeakPolarHBondContact O-CB 3.41Å; Q390-Q394 VanDerWaalsContact O-CG 3.3Å; Q390-Q394 WeakPolarHBondContact O-CG 3.44Å; Q390-Q394 PolarHBondContact O-N 3.25Å; A391-Q394 PolarHBondContact O-N 2.9Å; K392-Q394 PolarHBondContact O-N 2.69Å; Q394-L420 HydrophobicContact CB-CD2 3.65Å; Q394-L420 WeakPolarHBondContact O-CD2 3.5Å; Q394-I426 VanDerWaalsContact OE1-N 3.09Å
395	G	98.4	Very high	98.6	Very high	50 Å²	50	54.7 Å²	54.7	52%	0.515	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	5.8	176.4	0	0	0	0	0	115.1	A391 K392 Q393	A391-G395 PolarHBondContact O-N 3.03Å; K392-G395 PolarHBondContact O-N 2.73Å; Q393-G395 VanDerWaalsContact C-N 3.28Å
396	G	98.6	Very high	98.5	Very high	8 Å²	8	59.6 Å²	59.6	8%	0.082	33%	0.333	C	S	.	.			trans	-70.5	140.6	177.9	0	0	0	0	0	113	A391 T418	A391-G396 WeakPolarHBondContact O-CA 3.39Å; A391-G396 PolarHBondContact O-N 3.08Å; G396-T418 WeakPolarHBondContact CA-O 3.5Å
397	T	98.8	Very high	98.5	Very high	84 Å²	84	62 Å²	62	52%	0.515	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.4	174.6	-61.4	0	0	0	0	110	V399 I417 T418	T397-V399 PolarHBondContact O-N 2.69Å; T397-I417 WeakPolarHBondContact O-CA 3.49Å; T397-T418 PolarHBondContact N-O 2.92Å; T397-T418 PolarHBondContact O-N 3.33Å
398	V	98.8	Very high	98.4	Very high	43 Å²	43	66.6 Å²	66.6	26%	0.261	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	109.8	173.9	-178.9	0	0	0	0	108.9	I388 K392 T415 I417	I388-V398 HydrophobicContact CG2-CG2 4.32Å; K392-V398 HydrophobicContact CG-CG2 4.43Å; V398-T415 HydrophobicContact CG1-CG2 4.1Å; V398-I417 HydrophobicContact CG2-CD1 4.41Å; V398-I417 HydrophobicContact CG2-CG1 4.32Å
399	V	98.4	Very high	98.4	Very high	59 Å²	59	67.2 Å²	67.2	36%	0.358	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-40.8	-179.1	-179.8	0	0	0	0	111.1	V350 S354 T397 I416 T418	V350-V399 HydrophobicContact CG1-CG1 4.15Å; V350-V399 HydrophobicContact CG1-CG2 4.4Å; S354-V399 VanDerWaalsContact OG-CG1 3.31Å; S354-V399 WeakPolarHBondContact OG-CG1 3.41Å; T397-V399 PolarHBondContact O-N 2.69Å; V399-I416 HydrophobicContact CB-CB 4.37Å; V399-I416 HydrophobicContact CB-CG2 4.25Å; V399-I416 HydrophobicContact CG2-CG2 4.41Å; V399-I416 PolarHBondContact N-O 3.38Å; V399-T418 HydrophobicContact CG2-CG2 3.6Å; V399-T418 WeakPolarHBondContact CG2-OG1 3.42Å
400	C	97.5	Very high	98.4	Very high	24 Å²	24	63.3 Å²	63.3	16%	0.162	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	161.4	172.9	67.3	0	0	0	0	110.9	T415 I416	C400-T415 WeakPolarHBondContact O-CA 3.48Å; C400-I416 PolarHBondContact O-N 2.88Å; C400-I416 VanDerWaalsContact O-N 3.14Å
401	G	98.3	Very high	98.4	Very high	23 Å²	23	59.5 Å²	59.5	24%	0.237	33%	0.333	C	S	.	.			trans	74.5	-146.8	-176.5	0	0	0	0	0	112.3	E413	G401-E413 WeakPolarHBondContact CA-OE2 3.44Å
402	G	97.9	Very high	98.4	Very high	12 Å²	12	59.5 Å²	59.5	12%	0.124	33%	0.333	C	S	.	.			trans	95.5	13.1	173.1	0	0	0	0	0	114.7	Y384 T415	Y384-G402 WeakPolarHBondContact OH-CA 3.33Å; Y384-G402 PolarHBondContact OH-N 3.42Å; G402-T415 WeakPolarHBondContact CA-OG1 3.38Å; G402-T415 PolarHBondContact N-OG1 3Å
403	K	98.7	Very high	98.5	Very high	135 Å²	135	57.8 Å²	57.8	59%	0.587	33%	0.326	S	S	*	.	S	Bend	trans	-134.5	154.5	-174.8	-54.9	176.2	-173.9	175	0	111.7	Y384 E413	Y384-K403 PolarHBondContact OH-N 3.39Å; Y384-K403 VanDerWaalsContact OH-N 3.12Å; Y384-K403 PolarHBondContact OH-O 3.34Å; K403-E413 HydrophobicContact CB-CG 4.46Å; K403-E413 WeakPolarHBondContact CB-OE2 3.45Å; K403-E413 PolarHBondContact O-N 3.1Å
404	V	98.8	Very high	98.5	Very high	67 Å²	67	51 Å²	51	41%	0.406	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-74.1	138.7	163.2	-174.3	0	0	0	0	108.1	V381 L385 Y411 V412	V381-V404 HydrophobicContact CG1-CG1 4.19Å; V381-V404 HydrophobicContact CG1-CG2 3.54Å; L385-V404 HydrophobicContact CD1-CG2 3.81Å; L385-V404 HydrophobicContact CD2-CG2 3.97Å; L385-V404 HydrophobicContact CG-CG2 4Å; V404-Y411 WeakPolarHBondContact CG1-O 3.44Å; V404-V412 HydrophobicContact CG2-CG1 4.44Å
405	M	98.7	Very high	98.5	Very high	44 Å²	44	48.3 Å²	48.3	22%	0.217	28%	0.283	C	S	.	.			trans	-81.4	136.6	178.1	-59.9	-176	77.3	0	0	110.2	I362 R407 Y411 E413	I362-M405 HydrophobicContact CB-CE 4.29Å; I362-M405 HydrophobicContact CB-SD 4.46Å; I362-M405 HydrophobicContact CD1-CE 3.79Å; I362-M405 HydrophobicContact CD1-SD 3.73Å; I362-M405 HydrophobicContact CG2-CE 4Å; I362-M405 HydrophobicContact CG2-SD 3.7Å; M405-R407 VanDerWaalsContact C-N 3.26Å; M405-R407 HydrophobicContact CB-CG 3.94Å; M405-R407 PolarHBondContact O-N 2.72Å; M405-Y411 PolarHBondContact N-O 2.77Å; M405-E413 HydrophobicContact CG-CG 4Å
406	D	98.1	Very high	98.5	Very high	178 Å²	178	46 Å²	46	95%	0.952	26%	0.259	S	S	*	.	S	Bend	trans	-77.2	75.5	176.8	-172.8	25.1	0	0	0	111.1
407	R	98	Very high	98.5	Very high	95 Å²	95	45.6 Å²	45.6	36%	0.358	26%	0.255	S	S	.	.	S	Bend	trans	-156.6	161.6	179	62.9	-174.1	-65.7	161.8	1.9	110.5	I362 M405 Y411	I362-R407 PolarHBondContact O-NH1 3.24Å; I362-R407 VanDerWaalsContact O-NH1 3.16Å; M405-R407 VanDerWaalsContact C-N 3.26Å; M405-R407 HydrophobicContact CB-CG 3.94Å; M405-R407 PolarHBondContact O-N 2.72Å; R407-Y411 HydrophobicContact CG-CD2 3.89Å; R407-Y411 HydrophobicContact CG-CG 4.1Å
408	P	98.1	Very high	98.5	Very high	98 Å²	98	42.7 Å²	42.7	64%	0.636	24%	0.237	S	C	*	.	S	Bend	trans	-58.5	151.5	172	-23.7	34.6	0	0	0	112.4	A75 Y411	A75-P408 CarbonylContact O-C 3.59Å; P408-Y411 WeakPolarHBondContact O-CD2 3.26Å; P408-Y411 WeakPolarHBondContact O-CE2 3.4Å
409	G	98.3	Very high	98.5	Very high	13 Å²	13	43.4 Å²	43.4	13%	0.134	25%	0.253	C	S	.	.	S	Bend	trans	87.1	179.9	-179	0	0	0	0	0	114	P74 A75 N77 Y411	P74-G409 CarbonylContact O-C 3.48Å; P74-G409 WeakPolarHBondContact O-CA 3.43Å; A75-G409 WeakPolarHBondContact O-CA 3.36Å; N77-G409 WeakPolarHBondContact OD1-CA 3.33Å; G409-Y411 VanDerWaalsContact C-N 3.28Å; G409-Y411 PolarHBondContact O-N 2.85Å; G409-Y411 VanDerWaalsContact O-N 3.14Å
410	N	98.9	Very high	98.5	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.037	24%	0.239	C	C	.	.	S	Bend	trans	-91.1	49.1	-173	-49.6	-40	0	0	0	112	P74 N77 P374 L375 H376 K378 V381	P74-N410 WeakPolarHBondContact CB-ND2 3.37Å; P74-N410 PolarHBondContact O-N 3.45Å; N77-N410 PolarHBondContact ND2-OD1 2.93Å; P374-N410 HydrophobicContact CB-CB 4.22Å; L375-N410 HydrophobicContact CB-CB 4.23Å; L375-N410 WeakPolarHBondContact CB-O 3.4Å; L375-N410 PolarHBondContact N-O 3.32Å; L375-N410 WeakPolarHBondContact O-CB 3.49Å; L375-N410 PolarHBondContact O-ND2 3.24Å; L375-N410 VanDerWaalsContact O-ND2 3.1Å; H376-N410 PolarHBondContact O-ND2 2.87Å; K378-N410 WeakPolarHBondContact CG-OD1 3.16Å; V381-N410 HydrophobicContact CG2-CB 3.74Å
411	Y	98.9	Very high	98.6	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.012	25%	0.251	C	S	.	.			trans	-85.8	132.4	-174.2	-68.6	-93.6	0	0	0	112.5	A75 I362 G363 G373 P374 V404 M405 R407 P408 G409	A75-Y411 WeakPolarHBondContact CB-OH 3.4Å; A75-Y411 WeakPolarHBondContact O-CE2 3.31Å; I362-Y411 HydrophobicContact CG2-CD1 3.68Å; I362-Y411 HydrophobicContact CG2-CE1 4.03Å; G363-Y411 WeakPolarHBondContact O-CE1 3.34Å; G363-Y411 PolarHBondContact O-OH 2.64Å; G373-Y411 VanDerWaalsContact C-CE1 3.49Å; P374-Y411 HydrophobicContact CB-CD1 4.23Å; P374-Y411 HydrophobicContact CB-CD2 4.06Å; P374-Y411 HydrophobicContact CB-CE1 4.1Å; P374-Y411 HydrophobicContact CB-CE2 3.91Å; P374-Y411 HydrophobicContact CB-CG 4.22Å; P374-Y411 HydrophobicContact CG-CE2 4.48Å; V404-Y411 WeakPolarHBondContact CG1-O 3.44Å; M405-Y411 PolarHBondContact N-O 2.77Å; R407-Y411 HydrophobicContact CG-CD2 3.89Å; R407-Y411 HydrophobicContact CG-CG 4.1Å; P408-Y411 WeakPolarHBondContact O-CD2 3.26Å; P408-Y411 WeakPolarHBondContact O-CE2 3.4Å; G409-Y411 VanDerWaalsContact C-N 3.28Å; G409-Y411 PolarHBondContact O-N 2.85Å; G409-Y411 VanDerWaalsContact O-N 3.14Å
412	V	98.9	Very high	98.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-126.6	154.9	171.2	-56.7	0	0	0	0	109.8	Y372 L375 V381 Y384 V404 P434	Y372-V412 VanDerWaalsContact CE1-O 3.24Å; Y372-V412 WeakPolarHBondContact CE1-O 3.46Å; Y372-V412 WeakPolarHBondContact OH-CG2 3.16Å; Y372-V412 PolarHBondContact OH-O 2.66Å; L375-V412 HydrophobicContact CD1-CG1 3.89Å; L375-V412 HydrophobicContact CD1-CG2 3.76Å; L375-V412 HydrophobicContact CG-CG2 3.98Å; V381-V412 HydrophobicContact CB-CG1 4.37Å; V381-V412 HydrophobicContact CG1-CG1 3.87Å; V381-V412 HydrophobicContact CG2-CG1 4.14Å; Y384-V412 HydrophobicContact CD1-CB 3.83Å; Y384-V412 HydrophobicContact CD1-CG1 3.63Å; Y384-V412 HydrophobicContact CD1-CG2 4.29Å; Y384-V412 HydrophobicContact CD2-CB 4.27Å; Y384-V412 HydrophobicContact CD2-CG2 3.86Å; Y384-V412 HydrophobicContact CE1-CB 3.63Å; Y384-V412 HydrophobicContact CE1-CG1 3.89Å; Y384-V412 HydrophobicContact CE1-CG2 4.27Å; Y384-V412 HydrophobicContact CE2-CB 4.05Å; Y384-V412 HydrophobicContact CE2-CG2 3.79Å; Y384-V412 HydrophobicContact CG-CB 4.13Å; Y384-V412 HydrophobicContact CG-CG1 4.02Å; Y384-V412 HydrophobicContact CG-CG2 4.08Å; V404-V412 HydrophobicContact CG2-CG1 4.44Å; V412-P434 HydrophobicContact CG2-CG 3.84Å
413	E	98.8	Very high	98.6	Very high	61 Å²	61	48.2 Å²	48.2	29%	0.285	27%	0.269	S	S	.	.			trans	-72	134.5	173.9	-62.8	177	156.8	0	0	110.2	Y384 G401 K403 M405 T415	Y384-E413 WeakPolarHBondContact CE2-O 3.42Å; Y384-E413 PolarHBondContact OH-O 2.91Å; G401-E413 WeakPolarHBondContact CA-OE2 3.44Å; K403-E413 HydrophobicContact CB-CG 4.46Å; K403-E413 WeakPolarHBondContact CB-OE2 3.45Å; K403-E413 PolarHBondContact O-N 3.1Å; M405-E413 HydrophobicContact CG-CG 4Å; E413-T415 PolarHBondContact O-N 3.44Å; E413-T415 PolarHBondContact O-OG1 3.16Å; E413-T415 VanDerWaalsContact O-OG1 3.1Å
414	P	98.8	Very high	98.6	Very high	10 Å²	10	42 Å²	42	7%	0.065	24%	0.243	C	C	.	.			trans	-63.5	131.2	170.2	27.9	-34.1	0	0	0	109.7	V326 Y357 Y372 P434	V326-P414 HydrophobicContact CG1-CB 4.38Å; V326-P414 HydrophobicContact CG2-CB 4.01Å; Y357-P414 HydrophobicContact CD1-CB 3.85Å; Y357-P414 HydrophobicContact CD1-CG 4.01Å; Y357-P414 HydrophobicContact CE1-CB 3.74Å; Y357-P414 HydrophobicContact CE1-CG 4.41Å; Y372-P414 HydrophobicContact CE2-CB 4.22Å; P414-P434 HydrophobicContact CB-CB 4.45Å
415	T	98.9	Very high	98.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.7	-163.7	-63.4	0	0	0	0	112.3	Y384 V398 C400 G402 E413 I417 P434 I435 L436	Y384-T415 WeakPolarHBondContact CE2-OG1 3.49Å; Y384-T415 PolarHBondContact OH-OG1 3.1Å; V398-T415 HydrophobicContact CG1-CG2 4.1Å; C400-T415 WeakPolarHBondContact O-CA 3.48Å; G402-T415 WeakPolarHBondContact CA-OG1 3.38Å; G402-T415 PolarHBondContact N-OG1 3Å; E413-T415 PolarHBondContact O-N 3.44Å; E413-T415 PolarHBondContact O-OG1 3.16Å; E413-T415 VanDerWaalsContact O-OG1 3.1Å; T415-I417 HydrophobicContact CG2-CD1 4.19Å; T415-I417 HydrophobicContact CG2-CG1 3.81Å; T415-P434 PolarHBondContact N-O 3.17Å; T415-I435 HydrophobicContact CG2-CG1 4.42Å; T415-L436 PolarHBondContact O-N 3.32Å
416	I	98.9	Very high	98.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.8	171.7	-60	175.4	0	0	0	108.6	I353 Y357 V399 C400 V438	I353-I416 HydrophobicContact CB-CD1 4.38Å; I353-I416 HydrophobicContact CG2-CD1 3.58Å; Y357-I416 HydrophobicContact CD1-CD1 3.93Å; Y357-I416 HydrophobicContact CD1-CG1 3.96Å; Y357-I416 HydrophobicContact CD2-CD1 4.12Å; Y357-I416 HydrophobicContact CE1-CD1 3.9Å; Y357-I416 HydrophobicContact CE1-CG1 3.58Å; Y357-I416 HydrophobicContact CE2-CD1 4.1Å; Y357-I416 HydrophobicContact CG-CD1 4.04Å; V399-I416 HydrophobicContact CB-CB 4.37Å; V399-I416 HydrophobicContact CB-CG2 4.25Å; V399-I416 HydrophobicContact CG2-CG2 4.41Å; V399-I416 PolarHBondContact N-O 3.38Å; C400-I416 PolarHBondContact O-N 2.88Å; C400-I416 VanDerWaalsContact O-N 3.14Å; I416-V438 HydrophobicContact CG2-CG2 3.68Å
417	I	98.9	Very high	98.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127	178.2	-54.4	-173.5	0	0	0	109.4	A391 T397 V398 T415 L420 I435 L436 Y437 V438	A391-I417 HydrophobicContact CB-CD1 3.5Å; A391-I417 HydrophobicContact CB-CG2 4.32Å; T397-I417 WeakPolarHBondContact O-CA 3.49Å; V398-I417 HydrophobicContact CG2-CD1 4.41Å; V398-I417 HydrophobicContact CG2-CG1 4.32Å; T415-I417 HydrophobicContact CG2-CD1 4.19Å; T415-I417 HydrophobicContact CG2-CG1 3.81Å; I417-L420 HydrophobicContact CG2-CD1 3.9Å; I417-L420 HydrophobicContact CG2-CG 4.32Å; I417-I435 HydrophobicContact CD1-CG2 3.73Å; I417-I435 HydrophobicContact CG1-CG2 4.09Å; I417-L436 PolarHBondContact N-O 3.06Å; I417-Y437 HydrophobicContact CB-CD1 4.25Å; I417-Y437 HydrophobicContact CD1-CE1 4.21Å; I417-V438 PolarHBondContact O-N 3.39Å
418	T	98.9	Very high	98.7	Very high	22 Å²	22	30.5 Å²	30.5	14%	0.135	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	168.2	174.9	54.4	0	0	0	0	111.1	V350 G396 T397 V399 L420 V438	V350-T418 HydrophobicContact CG1-CG2 4.18Å; V350-T418 HydrophobicContact CG2-CG2 4.13Å; G396-T418 WeakPolarHBondContact CA-O 3.5Å; T397-T418 PolarHBondContact N-O 2.92Å; T397-T418 PolarHBondContact O-N 3.33Å; V399-T418 HydrophobicContact CG2-CG2 3.6Å; V399-T418 WeakPolarHBondContact CG2-OG1 3.42Å; T418-L420 VanDerWaalsContact C-N 3.32Å; T418-L420 PolarHBondContact O-N 3.27Å; T418-V438 HydrophobicContact CG2-CB 3.94Å; T418-V438 HydrophobicContact CG2-CG1 4.43Å; T418-V438 HydrophobicContact CG2-CG2 4.44Å
419	G	98.4	Very high	98.7	Very high	58 Å²	58	29.2 Å²	29.2	60%	0.598	18%	0.18	S	C	*	.	S	Bend	trans	84.6	-2.7	168.3	0	0	0	0	0	115.7
420	L	98.8	Very high	98.8	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.058	18%	0.183	C	C	.	.			trans	-74.9	138.9	171.9	-72.5	170.9	0	0	0	111	A391 Q394 I417 T418 I426 V427 Y437 L439	A391-L420 HydrophobicContact CB-CD1 4.15Å; Q394-L420 HydrophobicContact CB-CD2 3.65Å; Q394-L420 WeakPolarHBondContact O-CD2 3.5Å; I417-L420 HydrophobicContact CG2-CD1 3.9Å; I417-L420 HydrophobicContact CG2-CG 4.32Å; T418-L420 VanDerWaalsContact C-N 3.32Å; T418-L420 PolarHBondContact O-N 3.27Å; L420-I426 HydrophobicContact CD1-CG2 3.89Å; L420-V427 HydrophobicContact CB-CG2 4Å; L420-V427 HydrophobicContact CD1-CG2 3.8Å; L420-Y437 HydrophobicContact CD1-CD1 3.78Å; L420-Y437 HydrophobicContact CD1-CE1 4.25Å; L420-L439 VanDerWaalsContact O-CD2 3.3Å; L420-L439 WeakPolarHBondContact O-CD2 3.34Å
421	P	98.6	Very high	98.7	Very high	66 Å²	66	31.1 Å²	31.1	43%	0.429	19%	0.187	S	C	.	.			trans	-55.7	146.8	161.2	-25.3	32.9	0	0	0	111.9	D423 S424	P421-D423 WeakPolarHBondContact CB-OD1 3.49Å; P421-D423 PolarHBondContact O-N 2.93Å; P421-S424 VanDerWaalsContact CD-OG 3.22Å; P421-S424 WeakPolarHBondContact CD-OG 3.41Å; P421-S424 VanDerWaalsContact O-CB 3.28Å; P421-S424 WeakPolarHBondContact O-CB 3.27Å; P421-S424 PolarHBondContact O-N 2.95Å; P421-S424 VanDerWaalsContact O-N 3.09Å; P421-S424 PolarHBondContact O-OG 3.41Å
422	H	98.7	Very high	98.7	Very high	48 Å²	48	32.8 Å²	32.8	22%	0.222	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.9	-179.4	67.1	85.2	0	0	0	112.7	V427 H428 L439 W450 E453	H422-V427 WeakPolarHBondContact O-CG1 3.18Å; H422-H428 PolarHBondContact O-CD2 3.14Å; H422-H428 VanDerWaalsContact O-CD2 3.25Å; H422-H428 PolarHBondContact O-NE2 3.35Å; H422-L439 HydrophobicContact CB-CD1 3.96Å; H422-L439 HydrophobicContact CB-CD2 4.49Å; H422-W450 HydrophobicContact CB-CB 4.49Å; H422-W450 HydrophobicContact CB-CD2 3.84Å; H422-W450 HydrophobicContact CB-CE3 3.98Å; H422-W450 HydrophobicContact CB-CG 4.05Å; H422-W450 HydrophobicContact CB-CZ3 4.48Å; H422-W450 AromaticContact CD2-CD1 3.95Å; H422-W450 AromaticContact CD2-CD2 3.87Å; H422-W450 AromaticContact CD2-CE2 3.32Å; H422-W450 AromaticContact CD2-CZ2 3.54Å; H422-W450 AromaticContact CD2-NE1 3.38Å; H422-W450 PolarHBondContact CD2-NE1 3.02Å; H422-W450 AromaticContact CE1-CD1 3.51Å; H422-W450 AromaticContact CE1-NE1 3.39Å; H422-W450 PolarHBondContact CE1-NE1 3.48Å; H422-W450 AromaticContact CG-CD1 3.71Å; H422-W450 AromaticContact CG-CD2 3.7Å; H422-W450 AromaticContact CG-CE2 3.65Å; H422-W450 AromaticContact CG-CG 3.8Å; H422-W450 AromaticContact CG-NE1 3.64Å; H422-W450 AromaticContact ND1-CD1 3.43Å; H422-W450 AromaticContact ND1-CG 3.84Å; H422-W450 AromaticContact ND1-NE1 3.63Å; H422-W450 AromaticContact NE2-CD1 3.84Å; H422-W450 AromaticContact NE2-CE2 3.67Å; H422-W450 AromaticContact NE2-NE1 3.22Å; H422-W450 PolarHBondContact NE2-NE1 2.86Å; H422-E453 IonicContact CE1-OE1 2.69Å; H422-E453 IonicContact CE1-OE2 2.71Å; H422-E453 PolarHBondContact CE1-OE2 3.26Å; H422-E453 IonicContact CG-OE1 2.73Å; H422-E453 IonicContact ND1-OE1 3.83Å; H422-E453 PolarHBondContact ND1-OE1 3.46Å; H422-E453 IonicContact ND1-OE2 3.78Å; H422-E453 PolarHBondContact ND1-OE2 2.69Å
423	D	98.6	Very high	98.7	Very high	94 Å²	94	32.9 Å²	32.9	50%	0.503	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.9	-179.4	66.5	-18.4	0	0	0	114.2	P421 H428	P421-D423 WeakPolarHBondContact CB-OD1 3.49Å; P421-D423 PolarHBondContact O-N 2.93Å; D423-H428 WeakPolarHBondContact CA-NE2 3.37Å
424	S	98.7	Very high	98.7	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.042	18%	0.182	C	C	.	.			trans	-55.8	131.7	174.3	-62.3	0	0	0	0	110.3	P421 I426 V427 H428	P421-S424 VanDerWaalsContact CD-OG 3.22Å; P421-S424 WeakPolarHBondContact CD-OG 3.41Å; P421-S424 VanDerWaalsContact O-CB 3.28Å; P421-S424 WeakPolarHBondContact O-CB 3.27Å; P421-S424 PolarHBondContact O-N 2.95Å; P421-S424 VanDerWaalsContact O-N 3.09Å; P421-S424 PolarHBondContact O-OG 3.41Å; S424-I426 PolarHBondContact O-N 3.49Å; S424-V427 WeakPolarHBondContact O-CA 3.33Å; S424-V427 WeakPolarHBondContact O-CB 3.37Å; S424-V427 PolarHBondContact O-N 3.39Å; S424-H428 PolarHBondContact O-N 3.23Å; S424-H428 VanDerWaalsContact O-N 3.15Å
425	P	98.6	Very high	98.7	Very high	89 Å²	89	30 Å²	30	58%	0.578	18%	0.181	S	C	*	.	H	α-helix	trans	-52.4	-35.5	-178.2	-30.7	35.3	0	0	0	114.4	H428 T429	P425-H428 PolarHBondContact O-N 3.27Å; P425-T429 PolarHBondContact O-N 3.14Å; P425-T429 PolarHBondContact O-OG1 2.84Å
426	I	98.6	Very high	98.7	Very high	2 Å²	2	30 Å²	30	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-72.2	-30.8	178.1	-163.6	55.1	0	0	0	113.1	A387 Q390 A391 Q394 L420 S424 H428 T429 Y437	A387-I426 HydrophobicContact CB-CD1 4.01Å; Q390-I426 HydrophobicContact CB-CD1 4.25Å; Q390-I426 HydrophobicContact CB-CG1 4.3Å; A391-I426 HydrophobicContact CB-CG2 4.25Å; Q394-I426 VanDerWaalsContact OE1-N 3.09Å; L420-I426 HydrophobicContact CD1-CG2 3.89Å; S424-I426 PolarHBondContact O-N 3.49Å; I426-H428 VanDerWaalsContact C-N 3.34Å; I426-T429 PolarHBondContact O-N 3.24Å; I426-Y437 HydrophobicContact CG1-CE1 4.34Å; I426-Y437 WeakPolarHBondContact CG1-OH 3.47Å; I426-Y437 HydrophobicContact CG2-CE1 4.29Å
427	V	98.9	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.5	-34.4	175.8	175.1	0	0	0	0	110.3	N303 R338 L420 H422 S424 T429 Y437 L439	N303-V427 PolarHBondContact ND2-O 3.09Å; R338-V427 HydrophobicContact CG-CG1 4.08Å; L420-V427 HydrophobicContact CB-CG2 4Å; L420-V427 HydrophobicContact CD1-CG2 3.8Å; H422-V427 WeakPolarHBondContact O-CG1 3.18Å; S424-V427 WeakPolarHBondContact O-CA 3.33Å; S424-V427 WeakPolarHBondContact O-CB 3.37Å; S424-V427 PolarHBondContact O-N 3.39Å; V427-T429 VanDerWaalsContact C-N 3.32Å; V427-Y437 HydrophobicContact CG2-CD1 4.21Å; V427-Y437 HydrophobicContact CG2-CD2 4.41Å; V427-Y437 HydrophobicContact CG2-CG 3.98Å; V427-L439 HydrophobicContact CG1-CD1 4.22Å
428	H	98.9	Very high	98.7	Very high	51 Å²	51	30.2 Å²	30.2	24%	0.236	18%	0.182	C	C	.	.	H	α-helix	trans	-77.6	-17.1	176.8	-81.1	-139.7	0	0	0	113.7	N303 H422 D423 S424 P425 I426 E453	N303-H428 PolarHBondContact ND2-O 3.06Å; H422-H428 PolarHBondContact O-CD2 3.14Å; H422-H428 VanDerWaalsContact O-CD2 3.25Å; H422-H428 PolarHBondContact O-NE2 3.35Å; D423-H428 WeakPolarHBondContact CA-NE2 3.37Å; S424-H428 PolarHBondContact O-N 3.23Å; S424-H428 VanDerWaalsContact O-N 3.15Å; P425-H428 PolarHBondContact O-N 3.27Å; I426-H428 VanDerWaalsContact C-N 3.34Å; H428-E453 IonicContact CD2-OE1 3.47Å; H428-E453 IonicContact CE1-OE1 3.69Å; H428-E453 IonicContact NE2-OE1 3.32Å; H428-E453 PolarHBondContact NE2-OE1 2.69Å
429	T	98.8	Very high	98.7	Very high	70 Å²	70	29.4 Å²	29.4	43%	0.429	18%	0.176	S	C	.	.	S	Bend	trans	-89.9	131.6	-177.7	-60.2	0	0	0	0	110.9	P425 I426 V427 T431	P425-T429 PolarHBondContact O-N 3.14Å; P425-T429 PolarHBondContact O-OG1 2.84Å; I426-T429 PolarHBondContact O-N 3.24Å; V427-T429 VanDerWaalsContact C-N 3.32Å; T429-T431 PolarHBondContact O-N 3.44Å
430	E	98.8	Very high	98.7	Very high	41 Å²	41	31.4 Å²	31.4	19%	0.192	17%	0.169	C	C	.	.			trans	-74.1	108.6	166.1	178.1	179.2	-137.7	0	0	109.3	G301 G302 R337 F432	G301-E430 WeakPolarHBondContact CA-OE2 3.4Å; G302-E430 PolarHBondContact N-OE1 3.18Å; G302-E430 WeakPolarHBondContact O-CG 3.26Å; R337-E430 IonicContact CZ-OE1 3.08Å; R337-E430 IonicContact NE-OE1 3.42Å; R337-E430 IonicContact NH2-OE1 2.69Å; R337-E430 PolarHBondContact NH2-OE1 3Å; E430-F432 HydrophobicContact CG-CD2 4.33Å
431	T	98.3	Very high	98.7	Very high	19 Å²	19	31.1 Å²	31.1	12%	0.117	17%	0.167	C	C	.	.			trans	-104.3	122	163	-46.6	0	0	0	0	108	R337 Q383 A387 T429 V433	R337-T431 PolarHBondContact NH1-O 3.39Å; Q383-T431 HydrophobicContact CB-CG2 4.28Å; A387-T431 HydrophobicContact CB-CG2 3.84Å; T429-T431 PolarHBondContact O-N 3.44Å; T431-V433 HydrophobicContact CG2-CB 4.39Å; T431-V433 HydrophobicContact CG2-CG1 4.08Å; T431-V433 HydrophobicContact CG2-CG2 3.47Å; T431-V433 VanDerWaalsContact CG2-CG2 3.47Å; T431-V433 PolarHBondContact O-N 3.17Å
432	F	98.5	Very high	98.7	Very high	39 Å²	39	34 Å²	34	17%	0.171	17%	0.173	C	C	.	.	S	Bend	trans	-82.4	55	-168.8	-145.9	-107.4	0	0	0	113.1	F197 N198 Q331 E430	F197-F432 HydrophobicContact CE1-CD1 4.15Å; F197-F432 HydrophobicContact CE1-CE1 4.1Å; F197-F432 HydrophobicContact CE2-CE1 4.49Å; F197-F432 AromaticContact CZ-CD1 3.7Å; F197-F432 HydrophobicContact CZ-CD1 3.7Å; F197-F432 AromaticContact CZ-CE1 3.65Å; F197-F432 HydrophobicContact CZ-CE1 3.65Å; N198-F432 HydrophobicContact CB-CE1 4.11Å; N198-F432 HydrophobicContact CB-CZ 4.47Å; Q331-F432 VanDerWaalsContact C-CE1 3.41Å; Q331-F432 VanDerWaalsContact C-CZ 3.47Å; Q331-F432 VanDerWaalsContact CA-CE1 3.43Å; Q331-F432 HydrophobicContact CB-CD1 3.86Å; Q331-F432 HydrophobicContact CB-CE1 3.61Å; Q331-F432 HydrophobicContact CG-CD1 4.07Å; Q331-F432 HydrophobicContact CG-CE1 4.33Å; Q331-F432 WeakPolarHBondContact O-CE1 3.26Å; Q331-F432 WeakPolarHBondContact O-CZ 3.27Å; E430-F432 HydrophobicContact CG-CD2 4.33Å
433	V	98.8	Very high	98.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.181	C	C	.	.	S	Bend	trans	-143.6	164	-169.2	-58.1	0	0	0	0	109.8	L375 A380 Y384 T431 I435	L375-V433 HydrophobicContact CD1-CG1 4.2Å; A380-V433 WeakPolarHBondContact O-CG1 3.4Å; Y384-V433 HydrophobicContact CD2-CB 4.07Å; Y384-V433 HydrophobicContact CD2-CG2 4.12Å; T431-V433 HydrophobicContact CG2-CB 4.39Å; T431-V433 HydrophobicContact CG2-CG1 4.08Å; T431-V433 HydrophobicContact CG2-CG2 3.47Å; T431-V433 VanDerWaalsContact CG2-CG2 3.47Å; T431-V433 PolarHBondContact O-N 3.17Å; V433-I435 HydrophobicContact CG2-CB 4.4Å; V433-I435 HydrophobicContact CG2-CD1 3.65Å; V433-I435 HydrophobicContact CG2-CG1 3.87Å; V433-I435 PolarHBondContact O-N 2.97Å
434	P	98.7	Very high	98.8	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.019	17%	0.166	C	C	.	.	S	Bend	trans	-85.8	62.4	-172.9	31.7	-30.8	0	0	0	111.5	A329 Y372 V412 P414 T415	A329-P434 VanDerWaalsContact O-CD 3.28Å; A329-P434 WeakPolarHBondContact O-CD 3.38Å; Y372-P434 HydrophobicContact CE2-CB 4.23Å; Y372-P434 HydrophobicContact CE2-CG 4.13Å; Y372-P434 WeakPolarHBondContact OH-CG 3.19Å; V412-P434 HydrophobicContact CG2-CG 3.84Å; P414-P434 HydrophobicContact CB-CB 4.45Å; T415-P434 PolarHBondContact N-O 3.17Å
435	I	98.9	Very high	98.8	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.5	170.9	-62	168.3	0	0	0	108.2	Y384 A387 I388 T415 I417 V433 Y437	Y384-I435 HydrophobicContact CD2-CD1 3.97Å; Y384-I435 HydrophobicContact CD2-CG1 3.89Å; Y384-I435 HydrophobicContact CE2-CD1 4.38Å; Y384-I435 HydrophobicContact CE2-CG1 3.95Å; A387-I435 HydrophobicContact CB-CD1 3.68Å; I388-I435 HydrophobicContact CG1-CD1 3.9Å; T415-I435 HydrophobicContact CG2-CG1 4.42Å; I417-I435 HydrophobicContact CD1-CG2 3.73Å; I417-I435 HydrophobicContact CG1-CG2 4.09Å; V433-I435 HydrophobicContact CG2-CB 4.4Å; V433-I435 HydrophobicContact CG2-CD1 3.65Å; V433-I435 HydrophobicContact CG2-CG1 3.87Å; V433-I435 PolarHBondContact O-N 2.97Å; I435-Y437 HydrophobicContact CG2-CD1 4.03Å; I435-Y437 HydrophobicContact CG2-CE1 3.48Å; I435-Y437 VanDerWaalsContact CG2-CE1 3.48Å; I435-Y437 HydrophobicContact CG2-CE2 4.34Å
436	L	98.9	Very high	98.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.1	173.9	-177	63.2	0	0	0	109.9	T336 L339 T415 I417 V438	T336-L436 HydrophobicContact CG2-CD1 3.94Å; L339-L436 HydrophobicContact CB-CD1 3.89Å; L339-L436 HydrophobicContact CB-CD2 4.19Å; L339-L436 HydrophobicContact CB-CG 4.16Å; L339-L436 HydrophobicContact CD2-CD2 4.05Å; T415-L436 PolarHBondContact O-N 3.32Å; I417-L436 PolarHBondContact N-O 3.06Å; L436-V438 HydrophobicContact CD2-CG2 4.49Å; L436-V438 HydrophobicContact CG-CG2 4.35Å
437	Y	98.9	Very high	98.8	Very high	4 Å²	4	38 Å²	38	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	121.8	172.7	-50.6	-69.7	0	0	0	109.7	R337 R338 L339 I417 L420 I426 V427 I435	R337-Y437 WeakPolarHBondContact O-CD2 3.35Å; R337-Y437 PolarHBondContact O-N 3.37Å; R338-Y437 CarbonylContact C-O 3.49Å; R338-Y437 WeakPolarHBondContact CA-O 3.26Å; L339-Y437 PolarHBondContact N-O 3.36Å; I417-Y437 HydrophobicContact CB-CD1 4.25Å; I417-Y437 HydrophobicContact CD1-CE1 4.21Å; L420-Y437 HydrophobicContact CD1-CD1 3.78Å; L420-Y437 HydrophobicContact CD1-CE1 4.25Å; I426-Y437 HydrophobicContact CG1-CE1 4.34Å; I426-Y437 WeakPolarHBondContact CG1-OH 3.47Å; I426-Y437 HydrophobicContact CG2-CE1 4.29Å; V427-Y437 HydrophobicContact CG2-CD1 4.21Å; V427-Y437 HydrophobicContact CG2-CD2 4.41Å; V427-Y437 HydrophobicContact CG2-CG 3.98Å; I435-Y437 HydrophobicContact CG2-CD1 4.03Å; I435-Y437 HydrophobicContact CG2-CE1 3.48Å; I435-Y437 VanDerWaalsContact CG2-CE1 3.48Å; I435-Y437 HydrophobicContact CG2-CE2 4.34Å
438	V	98.9	Very high	98.8	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	124.2	-179.4	-173.7	0	0	0	0	109.9	L339 L341 V350 I416 I417 T418 L436	L339-V438 HydrophobicContact CB-CG2 4.39Å; L339-V438 HydrophobicContact CD2-CG2 4.37Å; L339-V438 CarbonylContact O-C 3.6Å; L339-V438 VanDerWaalsContact O-CA 3.3Å; L339-V438 WeakPolarHBondContact O-CA 3.14Å; L341-V438 HydrophobicContact CD1-CG1 3.54Å; L341-V438 HydrophobicContact CG-CG1 4.09Å; V350-V438 HydrophobicContact CG2-CG1 3.77Å; I416-V438 HydrophobicContact CG2-CG2 3.68Å; I417-V438 PolarHBondContact O-N 3.39Å; T418-V438 HydrophobicContact CG2-CB 3.94Å; T418-V438 HydrophobicContact CG2-CG1 4.43Å; T418-V438 HydrophobicContact CG2-CG2 4.44Å; L436-V438 HydrophobicContact CD2-CG2 4.49Å; L436-V438 HydrophobicContact CG-CG2 4.35Å
439	L	98.9	Very high	98.8	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.1	-175.4	-54.8	174.2	0	0	0	109.5	L339 M340 L341 L420 H422 V427	L339-L439 PolarHBondContact O-N 3.06Å; M340-L439 CarbonylContact C-O 3.59Å; M340-L439 WeakPolarHBondContact CA-O 3.49Å; M340-L439 HydrophobicContact CE-CD1 4.09Å; M340-L439 HydrophobicContact CG-CB 4.19Å; M340-L439 HydrophobicContact CG-CD1 4.1Å; L341-L439 PolarHBondContact N-O 3.13Å; L420-L439 VanDerWaalsContact O-CD2 3.3Å; L420-L439 WeakPolarHBondContact O-CD2 3.34Å; H422-L439 HydrophobicContact CB-CD1 3.96Å; H422-L439 HydrophobicContact CB-CD2 4.49Å; V427-L439 HydrophobicContact CG1-CD1 4.22Å
440	K	98.8	Very high	98.8	Very high	101 Å²	101	37 Å²	37	44%	0.439	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.9	178.1	-172.5	178.5	-65.6	-170.5	0	109.7	L341 E343 H346 D347 W450	L341-K440 WeakPolarHBondContact O-CA 3.3Å; E343-K440 HydrophobicContact CB-CD 3.93Å; E343-K440 HydrophobicContact CB-CG 3.91Å; H346-K440 HydrophobicContact CB-CG 4.33Å; H346-K440 WeakPolarHBondContact ND1-CE 3.29Å; D347-K440 IonicContact OD1-NZ 3.65Å; K440-W450 WeakPolarHBondContact O-CH2 3.47Å; K440-W450 VanDerWaalsContact O-CZ3 3.24Å; K440-W450 WeakPolarHBondContact O-CZ3 3.47Å
441	F	98.9	Very high	98.8	Very high	4 Å²	4	35 Å²	35	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	170.3	174.9	80.2	-88.5	0	0	0	110.8	I307 V308 F309 M340 L341 H342 E343 T443 E446 A447 W450	I307-F441 HydrophobicContact CG2-CD1 4.33Å; I307-F441 HydrophobicContact CG2-CE1 3.51Å; I307-F441 HydrophobicContact CG2-CE2 4.45Å; I307-F441 HydrophobicContact CG2-CZ 3.59Å; V308-F441 WeakPolarHBondContact O-CE1 3.45Å; V308-F441 WeakPolarHBondContact O-CZ 3.36Å; F309-F441 AromaticContact CD1-CE2 3.95Å; F309-F441 HydrophobicContact CD1-CE2 3.95Å; F309-F441 AromaticContact CD1-CZ 3.91Å; F309-F441 HydrophobicContact CD1-CZ 3.91Å; F309-F441 HydrophobicContact CD2-CZ 4.48Å; F309-F441 AromaticContact CE1-CE2 3.7Å; F309-F441 HydrophobicContact CE1-CE2 3.7Å; F309-F441 AromaticContact CE1-CZ 3.93Å; F309-F441 HydrophobicContact CE1-CZ 3.93Å; F309-F441 HydrophobicContact CE2-CZ 4.48Å; F309-F441 HydrophobicContact CG-CZ 4.2Å; F309-F441 HydrophobicContact CZ-CE2 4.23Å; F309-F441 HydrophobicContact CZ-CZ 4.21Å; M340-F441 HydrophobicContact CB-CD1 3.94Å; M340-F441 HydrophobicContact CB-CE1 4.3Å; L341-F441 WeakPolarHBondContact O-CD1 3.21Å; L341-F441 PolarHBondContact O-N 3.41Å; H342-F441 CarbonylContact C-O 3.46Å; H342-F441 WeakPolarHBondContact CA-O 3.34Å; H342-F441 HydrophobicContact CB-CE1 4.08Å; H342-F441 HydrophobicContact CB-CE2 4.19Å; H342-F441 HydrophobicContact CB-CZ 3.8Å; H342-F441 AromaticContact CD2-CE2 3.92Å; E343-F441 PolarHBondContact N-O 2.81Å; F441-T443 VanDerWaalsContact CD2-O 3.3Å; F441-T443 WeakPolarHBondContact CD2-O 3.33Å; F441-E446 HydrophobicContact CB-CG 4.14Å; F441-A447 HydrophobicContact CB-CB 4.36Å; F441-A447 HydrophobicContact CD1-CB 4.22Å; F441-A447 HydrophobicContact CD2-CB 3.61Å; F441-A447 HydrophobicContact CE1-CB 4.41Å; F441-A447 HydrophobicContact CE2-CB 3.85Å; F441-A447 HydrophobicContact CG-CB 3.81Å; F441-A447 HydrophobicContact CZ-CB 4.24Å; F441-W450 HydrophobicContact CB-CE3 4.15Å; F441-W450 HydrophobicContact CB-CH2 4.06Å; F441-W450 HydrophobicContact CB-CZ3 3.52Å
442	K	98.8	Very high	98.8	Very high	127 Å²	127	36 Å²	36	55%	0.552	18%	0.178	S	C	*	.			trans	-128.6	-42.5	179	-177.8	174	-171.7	165.8	0	112.8	H342 E343 E446	H342-K442 PolarHBondContact CD2-O 3.26Å; H342-K442 VanDerWaalsContact CD2-O 3.27Å; H342-K442 PolarHBondContact NE2-O 3.07Å; H342-K442 VanDerWaalsContact NE2-O 3.14Å; E343-K442 WeakPolarHBondContact OE1-CD 3.46Å; E343-K442 VanDerWaalsContact OE1-CE 3.27Å; E343-K442 WeakPolarHBondContact OE1-CE 3.39Å; E343-K442 WeakPolarHBondContact OE1-CG 3.43Å; E343-K442 IonicContact OE1-NZ 3.63Å; K442-E446 WeakPolarHBondContact CA-OE1 3.49Å; K442-E446 WeakPolarHBondContact CB-OE1 3.48Å; K442-E446 PolarHBondContact N-OE1 3.49Å
443	T	98.9	Very high	98.8	Very high	65 Å²	65	37.3 Å²	37.3	40%	0.399	18%	0.184	S	C	.	.			trans	-106.1	150.4	-175.6	69.8	0	0	0	0	112.3	F441 E445 E446 A447	F441-T443 VanDerWaalsContact CD2-O 3.3Å; F441-T443 WeakPolarHBondContact CD2-O 3.33Å; T443-E445 VanDerWaalsContact C-N 3.31Å; T443-E445 PolarHBondContact O-N 3.02Å; T443-E446 PolarHBondContact N-OE1 3.47Å; T443-E446 WeakPolarHBondContact OG1-CB 3.47Å; T443-E446 WeakPolarHBondContact OG1-CG 3.38Å; T443-E446 PolarHBondContact OG1-N 3.4Å; T443-A447 PolarHBondContact O-N 3.2Å
444	E	98.8	Very high	98.8	Very high	39 Å²	39	37.4 Å²	37.4	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-41.6	174.4	-177.2	-179.5	124.4	0	0	111.8	F309 A447 F448 R469 R472	F309-E444 HydrophobicContact CE1-CB 3.87Å; F309-E444 HydrophobicContact CE1-CG 4.02Å; F309-E444 HydrophobicContact CZ-CB 4.26Å; F309-E444 HydrophobicContact CZ-CG 3.96Å; E444-A447 PolarHBondContact O-N 2.97Å; E444-F448 HydrophobicContact CG-CD1 4.38Å; E444-F448 HydrophobicContact CG-CD2 4.27Å; E444-F448 HydrophobicContact CG-CE1 3.94Å; E444-F448 HydrophobicContact CG-CE2 3.83Å; E444-F448 HydrophobicContact CG-CZ 3.65Å; E444-F448 WeakPolarHBondContact O-CG 3.43Å; E444-F448 PolarHBondContact O-N 3.21Å; E444-R469 HydrophobicContact CG-CG 4.33Å; E444-R469 VanDerWaalsContact OE2-CG 3.3Å; E444-R469 WeakPolarHBondContact OE2-CG 3.44Å; E444-R469 IonicContact OE2-CZ 2.86Å; E444-R469 IonicContact OE2-NE 3.65Å; E444-R469 PolarHBondContact OE2-NE 3.32Å; E444-R469 IonicContact OE2-NH2 3.47Å; E444-R472 IonicContact OE1-CZ 3.38Å; E444-R472 IonicContact OE1-NE 2.71Å; E444-R472 PolarHBondContact OE1-NE 2.8Å; E444-R472 IonicContact OE1-NH2 3.2Å; E444-R472 PolarHBondContact OE1-NH2 3.2Å; E444-R472 IonicContact OE2-CZ 3.79Å; E444-R472 IonicContact OE2-NE 3.87Å; E444-R472 IonicContact OE2-NH2 2.85Å; E444-R472 PolarHBondContact OE2-NH2 2.93Å
445	E	98.7	Very high	98.8	Very high	164 Å²	164	44 Å²	44	77%	0.766	21%	0.213	S	C	*	.	H	α-helix	trans	-62.5	-45.4	-177.2	-174.1	172.3	-170.2	0	0	112	T443 F448 A449	T443-E445 VanDerWaalsContact C-N 3.31Å; T443-E445 PolarHBondContact O-N 3.02Å; E445-F448 PolarHBondContact O-N 2.92Å; E445-A449 WeakPolarHBondContact O-CB 3.43Å; E445-A449 PolarHBondContact O-N 2.89Å
446	E	98.3	Very high	98.8	Very high	56 Å²	56	44.6 Å²	44.6	26%	0.262	22%	0.216	S	C	.	.	H	α-helix	trans	-68.5	-38.3	178.2	84.2	-165.1	149.6	0	0	111.8	F441 K442 T443 F448 A449 W450	F441-E446 HydrophobicContact CB-CG 4.14Å; K442-E446 WeakPolarHBondContact CA-OE1 3.49Å; K442-E446 WeakPolarHBondContact CB-OE1 3.48Å; K442-E446 PolarHBondContact N-OE1 3.49Å; T443-E446 PolarHBondContact N-OE1 3.47Å; T443-E446 WeakPolarHBondContact OG1-CB 3.47Å; T443-E446 WeakPolarHBondContact OG1-CG 3.38Å; T443-E446 PolarHBondContact OG1-N 3.4Å; E446-F448 VanDerWaalsContact C-N 3.34Å; E446-F448 PolarHBondContact O-N 3.25Å; E446-A449 PolarHBondContact O-N 3.14Å; E446-W450 HydrophobicContact CB-CZ2 4.24Å; E446-W450 HydrophobicContact CG-CD2 4.5Å; E446-W450 HydrophobicContact CG-CH2 4.16Å; E446-W450 HydrophobicContact CG-CZ2 3.92Å; E446-W450 WeakPolarHBondContact O-CB 3.33Å; E446-W450 VanDerWaalsContact O-CD1 3.28Å; E446-W450 PolarHBondContact O-N 3.29Å
447	A	98.8	Very high	98.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-39.7	179.1	0	0	0	0	0	111.8	I307 F441 T443 E444 N451	I307-A447 HydrophobicContact CD1-CB 4.17Å; I307-A447 HydrophobicContact CG2-CB 3.83Å; F441-A447 HydrophobicContact CB-CB 4.36Å; F441-A447 HydrophobicContact CD1-CB 4.22Å; F441-A447 HydrophobicContact CD2-CB 3.61Å; F441-A447 HydrophobicContact CE1-CB 4.41Å; F441-A447 HydrophobicContact CE2-CB 3.85Å; F441-A447 HydrophobicContact CG-CB 3.81Å; F441-A447 HydrophobicContact CZ-CB 4.24Å; T443-A447 PolarHBondContact O-N 3.2Å; E444-A447 PolarHBondContact O-N 2.97Å; A447-N451 PolarHBondContact O-N 3.05Å
448	F	98.9	Very high	98.8	Very high	10 Å²	10	44.5 Å²	44.5	4%	0.044	22%	0.216	C	C	.	.	H	α-helix	trans	-67.7	-42.1	174.5	-71.5	6.9	0	0	0	111	I307 F309 E444 E445 E446 W450 N451 N452 I462 R469 R472 W473	I307-F448 HydrophobicContact CD1-CD1 4.05Å; I307-F448 HydrophobicContact CD1-CE1 4.47Å; F309-F448 HydrophobicContact CE2-CE1 4.18Å; F309-F448 AromaticContact CZ-CE1 3.87Å; F309-F448 HydrophobicContact CZ-CE1 3.87Å; E444-F448 HydrophobicContact CG-CD1 4.38Å; E444-F448 HydrophobicContact CG-CD2 4.27Å; E444-F448 HydrophobicContact CG-CE1 3.94Å; E444-F448 HydrophobicContact CG-CE2 3.83Å; E444-F448 HydrophobicContact CG-CZ 3.65Å; E444-F448 WeakPolarHBondContact O-CG 3.43Å; E444-F448 PolarHBondContact O-N 3.21Å; E445-F448 PolarHBondContact O-N 2.92Å; E446-F448 VanDerWaalsContact C-N 3.34Å; E446-F448 PolarHBondContact O-N 3.25Å; F448-W450 PolarHBondContact O-N 3.45Å; F448-N451 WeakPolarHBondContact O-CB 3.48Å; F448-N451 PolarHBondContact O-N 2.85Å; F448-N452 VanDerWaalsContact O-CG 3.23Å; F448-N452 PolarHBondContact O-N 2.83Å; F448-N452 VanDerWaalsContact O-N 3.16Å; F448-N452 PolarHBondContact O-ND2 3.28Å; F448-I462 HydrophobicContact CE1-CG2 4.06Å; F448-R469 HydrophobicContact CZ-CG 4.13Å; F448-R472 HydrophobicContact CE2-CB 4.43Å; F448-W473 AromaticContact CD1-CE3 3.54Å; F448-W473 HydrophobicContact CD1-CE3 3.54Å; F448-W473 AromaticContact CD1-CZ3 3.6Å; F448-W473 HydrophobicContact CD1-CZ3 3.6Å; F448-W473 HydrophobicContact CD2-CE3 4.14Å; F448-W473 HydrophobicContact CE1-CD2 4.2Å; F448-W473 AromaticContact CE1-CE3 3.4Å; F448-W473 HydrophobicContact CE1-CE3 3.4Å; F448-W473 VanDerWaalsContact CE1-CE3 3.4Å; F448-W473 AromaticContact CE1-CZ3 3.9Å; F448-W473 HydrophobicContact CE1-CZ3 3.9Å; F448-W473 HydrophobicContact CE2-CB 4.29Å; F448-W473 HydrophobicContact CE2-CE3 4.02Å; F448-W473 AromaticContact CG-CE3 3.93Å; F448-W473 HydrophobicContact CG-CE3 3.93Å; F448-W473 HydrophobicContact CG-CZ3 4.01Å; F448-W473 HydrophobicContact CZ-CB 3.84Å; F448-W473 HydrophobicContact CZ-CD2 4.29Å; F448-W473 AromaticContact CZ-CE3 3.66Å; F448-W473 HydrophobicContact CZ-CE3 3.66Å; F448-W473 HydrophobicContact CZ-CG 4.42Å
449	A	98.9	Very high	98.8	Very high	52 Å²	52	44.4 Å²	44.4	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-59.8	-46.3	175	0	0	0	0	0	111.7	E445 E446 N451 N452 E453	E445-A449 WeakPolarHBondContact O-CB 3.43Å; E445-A449 PolarHBondContact O-N 2.89Å; E446-A449 PolarHBondContact O-N 3.14Å; A449-N451 VanDerWaalsContact C-N 3.34Å; A449-N451 PolarHBondContact O-N 2.74Å; A449-N452 CarbonylContact O-C 3.6Å; A449-N452 PolarHBondContact O-N 3.47Å; A449-N452 VanDerWaalsContact O-N 3.09Å; A449-E453 PolarHBondContact O-N 2.89Å
450	W	98.9	Very high	98.8	Very high	36 Å²	36	44.2 Å²	44.2	14%	0.136	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-32	177.9	-59.8	-12.8	0	0	0	112.5	R338 M340 H422 K440 F441 E446 F448 N452 E453	R338-W450 PolarHBondContact NH1-O 3.32Å; M340-W450 HydrophobicContact CE-CB 3.78Å; M340-W450 HydrophobicContact SD-CB 4.04Å; H422-W450 HydrophobicContact CB-CB 4.49Å; H422-W450 HydrophobicContact CB-CD2 3.84Å; H422-W450 HydrophobicContact CB-CE3 3.98Å; H422-W450 HydrophobicContact CB-CG 4.05Å; H422-W450 HydrophobicContact CB-CZ3 4.48Å; H422-W450 AromaticContact CD2-CD1 3.95Å; H422-W450 AromaticContact CD2-CD2 3.87Å; H422-W450 AromaticContact CD2-CE2 3.32Å; H422-W450 AromaticContact CD2-CZ2 3.54Å; H422-W450 AromaticContact CD2-NE1 3.38Å; H422-W450 PolarHBondContact CD2-NE1 3.02Å; H422-W450 AromaticContact CE1-CD1 3.51Å; H422-W450 AromaticContact CE1-NE1 3.39Å; H422-W450 PolarHBondContact CE1-NE1 3.48Å; H422-W450 AromaticContact CG-CD1 3.71Å; H422-W450 AromaticContact CG-CD2 3.7Å; H422-W450 AromaticContact CG-CE2 3.65Å; H422-W450 AromaticContact CG-CG 3.8Å; H422-W450 AromaticContact CG-NE1 3.64Å; H422-W450 AromaticContact ND1-CD1 3.43Å; H422-W450 AromaticContact ND1-CG 3.84Å; H422-W450 AromaticContact ND1-NE1 3.63Å; H422-W450 AromaticContact NE2-CD1 3.84Å; H422-W450 AromaticContact NE2-CE2 3.67Å; H422-W450 AromaticContact NE2-NE1 3.22Å; H422-W450 PolarHBondContact NE2-NE1 2.86Å; K440-W450 WeakPolarHBondContact O-CH2 3.47Å; K440-W450 VanDerWaalsContact O-CZ3 3.24Å; K440-W450 WeakPolarHBondContact O-CZ3 3.47Å; F441-W450 HydrophobicContact CB-CE3 4.15Å; F441-W450 HydrophobicContact CB-CH2 4.06Å; F441-W450 HydrophobicContact CB-CZ3 3.52Å; E446-W450 HydrophobicContact CB-CZ2 4.24Å; E446-W450 HydrophobicContact CG-CD2 4.5Å; E446-W450 HydrophobicContact CG-CH2 4.16Å; E446-W450 HydrophobicContact CG-CZ2 3.92Å; E446-W450 WeakPolarHBondContact O-CB 3.33Å; E446-W450 VanDerWaalsContact O-CD1 3.28Å; E446-W450 PolarHBondContact O-N 3.29Å; F448-W450 PolarHBondContact O-N 3.45Å; W450-N452 VanDerWaalsContact C-N 3.25Å; W450-N452 PolarHBondContact O-N 2.97Å; W450-E453 WeakPolarHBondContact O-CG 3.25Å
451	N	98.9	Very high	98.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-45	170.4	175.4	77.8	0	0	0	110.8	I307 R338 A447 F448 A449 S460 W473 S479	I307-N451 HydrophobicContact CD1-CB 4.16Å; R338-N451 PolarHBondContact NH2-O 3.31Å; A447-N451 PolarHBondContact O-N 3.05Å; F448-N451 WeakPolarHBondContact O-CB 3.48Å; F448-N451 PolarHBondContact O-N 2.85Å; A449-N451 VanDerWaalsContact C-N 3.34Å; A449-N451 PolarHBondContact O-N 2.74Å; N451-S460 WeakPolarHBondContact OD1-CB 3.41Å; N451-W473 HydrophobicContact CB-CH2 4.11Å; N451-W473 HydrophobicContact CB-CZ3 4.4Å; N451-W473 WeakPolarHBondContact ND2-CH2 3.3Å; N451-S479 PolarHBondContact ND2-OG 3.18Å
452	N	98.9	Very high	98.8	Very high	39 Å²	39	39.2 Å²	39.2	21%	0.209	19%	0.192	C	C	.	.	H	α-helix	trans	-83.5	-21	-170.7	-65.3	-6.3	0	0	0	113.9	F448 A449 W450 V454 G478 D480 K503	F448-N452 VanDerWaalsContact O-CG 3.23Å; F448-N452 PolarHBondContact O-N 2.83Å; F448-N452 VanDerWaalsContact O-N 3.16Å; F448-N452 PolarHBondContact O-ND2 3.28Å; A449-N452 CarbonylContact O-C 3.6Å; A449-N452 PolarHBondContact O-N 3.47Å; A449-N452 VanDerWaalsContact O-N 3.09Å; W450-N452 VanDerWaalsContact C-N 3.25Å; W450-N452 PolarHBondContact O-N 2.97Å; N452-V454 VanDerWaalsContact C-N 3.25Å; N452-V454 PolarHBondContact O-N 3.31Å; N452-G478 PolarHBondContact ND2-O 2.93Å; N452-D480 WeakPolarHBondContact CA-OD2 3.48Å; N452-D480 HydrophobicContact CB-CB 4.48Å; N452-D480 VanDerWaalsContact CB-OD2 3.26Å; N452-D480 WeakPolarHBondContact CB-OD2 3.1Å; N452-D480 VanDerWaalsContact CG-CG 3.41Å; N452-D480 PolarHBondContact OD1-N 3.32Å; N452-D480 VanDerWaalsContact OD1-N 3.09Å; N452-D480 PolarHBondContact OD1-OD1 3.29Å; N452-D480 VanDerWaalsContact OD1-OD1 3.12Å; N452-K503 PolarHBondContact O-NZ 3.11Å
453	E	98.9	Very high	98.8	Very high	66 Å²	66	33.2 Å²	33.2	31%	0.308	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.1	-172.9	76	-175.5	-168.4	0	0	114.5	H422 H428 A449 W450	H422-E453 IonicContact CE1-OE1 2.69Å; H422-E453 IonicContact CE1-OE2 2.71Å; H422-E453 PolarHBondContact CE1-OE2 3.26Å; H422-E453 IonicContact CG-OE1 2.73Å; H422-E453 IonicContact ND1-OE1 3.83Å; H422-E453 PolarHBondContact ND1-OE1 3.46Å; H422-E453 IonicContact ND1-OE2 3.78Å; H422-E453 PolarHBondContact ND1-OE2 2.69Å; H428-E453 IonicContact CD2-OE1 3.47Å; H428-E453 IonicContact CE1-OE1 3.69Å; H428-E453 IonicContact NE2-OE1 3.32Å; H428-E453 PolarHBondContact NE2-OE1 2.69Å; A449-E453 PolarHBondContact O-N 2.89Å; W450-E453 WeakPolarHBondContact O-CG 3.25Å
454	V	98.9	Very high	98.8	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.024	15%	0.147	C	C	.	.	S	Bend	trans	-76.1	153.1	177.5	-58.9	0	0	0	0	110.7	N303 N452 Q456 K503	N303-V454 HydrophobicContact CB-CG2 4.31Å; N452-V454 VanDerWaalsContact C-N 3.25Å; N452-V454 PolarHBondContact O-N 3.31Å; V454-Q456 VanDerWaalsContact C-N 3.31Å; V454-Q456 PolarHBondContact O-N 3Å; V454-K503 PolarHBondContact O-NZ 3.22Å
455	K	98.8	Very high	98.8	Very high	140 Å²	140	35 Å²	35	61%	0.609	17%	0.168	S	C	*	.	S	Bend	trans	-67.4	-31.4	-177.2	-65.8	177	179.5	174.9	0	113	K503 H504	K455-K503 WeakPolarHBondContact O-CB 3.34Å; K455-H504 HydrophobicContact CB-CB 4.2Å; K455-H504 WeakPolarHBondContact O-CB 3.44Å; K455-H504 PolarHBondContact O-N 2.87Å
456	Q	98.9	Very high	98.8	Very high	21 Å²	21	30 Å²	30	10%	0.098	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	155.3	178.3	-58.8	82.8	-9.2	0	0	111	N303 V454 K503	N303-Q456 HydrophobicContact CB-CB 4.04Å; N303-Q456 HydrophobicContact CB-CG 4.06Å; V454-Q456 VanDerWaalsContact C-N 3.31Å; V454-Q456 PolarHBondContact O-N 3Å; Q456-K503 WeakPolarHBondContact O-CE 3.48Å; Q456-K503 PolarHBondContact O-NZ 2.94Å
457	G	98.7	Very high	98.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	42.4	-177.5	0	0	0	0	0	113	C481 G482 G501 E502 T505	G457-C481 VanDerWaalsContact O-CA 3.3Å; G457-C481 WeakPolarHBondContact O-CA 3.49Å; G457-G482 PolarHBondContact O-N 2.81Å; G457-G501 CarbonylContact O-C 3.54Å; G457-G501 VanDerWaalsContact O-CA 3.26Å; G457-G501 WeakPolarHBondContact O-CA 3.33Å; G457-E502 PolarHBondContact O-N 3.14Å; G457-T505 PolarHBondContact N-OG1 3.07Å
458	L	98.8	Very high	98.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	-80.3	-74.3	-177.1	-178.8	56.2	0	0	0	112.1	C333 T334 G482 I483 F499 T505	C333-L458 HydrophobicContact CB-CD2 3.69Å; C333-L458 WeakPolarHBondContact O-CD2 3.39Å; T334-L458 HydrophobicContact CG2-CD2 4.09Å; L458-G482 PolarHBondContact O-N 3.32Å; L458-I483 HydrophobicContact CD1-CD1 4.39Å; L458-I483 PolarHBondContact O-N 3.16Å; L458-F499 HydrophobicContact CD1-CE1 4.35Å; L458-F499 HydrophobicContact CD1-CZ 4.18Å; L458-T505 HydrophobicContact CB-CG2 3.79Å; L458-T505 HydrophobicContact CD1-CG2 3.91Å; L458-T505 HydrophobicContact CG-CG2 4.29Å; L458-T505 PolarHBondContact N-OG1 3.28Å
459	S	98.9	Very high	98.9	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.5	-173.7	-176.2	0	0	0	0	112.9	N304 I483 T490	N304-S459 VanDerWaalsContact CA-O 3.3Å; N304-S459 WeakPolarHBondContact CA-O 3.49Å; N304-S459 VanDerWaalsContact CB-O 3.23Å; N304-S459 WeakPolarHBondContact CB-O 3.41Å; N304-S459 PolarHBondContact OD1-N 3.46Å; N304-S459 PolarHBondContact OD1-O 3.41Å; S459-I483 WeakPolarHBondContact CA-O 3.41Å; S459-T490 WeakPolarHBondContact CB-O 3.46Å; S459-T490 VanDerWaalsContact OG-CA 3.31Å; S459-T490 WeakPolarHBondContact OG-CA 3.44Å; S459-T490 WeakPolarHBondContact OG-CB 3.39Å; S459-T490 PolarHBondContact OG-O 2.89Å
460	S	98.9	Very high	98.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	144.2	-176.2	63.1	0	0	0	0	110.3	A305 N451 W473 S479 I483 N485	A305-S460 WeakPolarHBondContact O-CA 3.41Å; N451-S460 WeakPolarHBondContact OD1-CB 3.41Å; S460-W473 VanDerWaalsContact CB-CZ2 3.49Å; S460-W473 VanDerWaalsContact OG-CZ2 3.28Å; S460-W473 WeakPolarHBondContact OG-CZ2 3.31Å; S460-S479 WeakPolarHBondContact CB-OG 3.24Å; S460-S479 WeakPolarHBondContact OG-CB 3.41Å; S460-S479 PolarHBondContact OG-OG 3.46Å; S460-I483 PolarHBondContact N-O 3.04Å; S460-I483 PolarHBondContact OG-O 3.43Å; S460-N485 WeakPolarHBondContact O-CB 3.46Å; S460-N485 PolarHBondContact O-N 3.03Å
461	S	98.9	Very high	98.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.7	178.9	-63.7	0	0	0	0	111.7	A305 I306 I307 N485 I488 P489 T490	A305-S461 PolarHBondContact O-N 2.91Å; I306-S461 CarbonylContact C-O 3.57Å; I306-S461 WeakPolarHBondContact CA-O 3.2Å; I307-S461 PolarHBondContact N-O 2.86Å; S461-N485 WeakPolarHBondContact CA-O 3.27Å; S461-N485 WeakPolarHBondContact OG-CB 3.27Å; S461-I488 VanDerWaalsContact CB-O 3.3Å; S461-I488 WeakPolarHBondContact CB-O 3.42Å; S461-I488 PolarHBondContact OG-O 2.88Å; S461-P489 WeakPolarHBondContact OG-CA 3.44Å; S461-P489 PolarHBondContact OG-O 2.68Å; S461-T490 PolarHBondContact OG-N 2.86Å
462	I	98.9	Very high	98.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	146.4	162.5	64	168.7	0	0	0	110.7	I307 F309 F448 T464 R469 V470 W473 N485 V486 N487	I307-I462 HydrophobicContact CB-CG2 4.12Å; I307-I462 HydrophobicContact CD1-CG2 4.14Å; I307-I462 HydrophobicContact CG1-CG2 4.48Å; I307-I462 CarbonylContact O-C 3.54Å; I307-I462 WeakPolarHBondContact O-CA 3.39Å; F309-I462 HydrophobicContact CE2-CB 4.27Å; F309-I462 HydrophobicContact CE2-CG2 4.13Å; F448-I462 HydrophobicContact CE1-CG2 4.06Å; I462-T464 HydrophobicContact CD1-CG2 3.78Å; I462-T464 HydrophobicContact CG1-CG2 4.36Å; I462-R469 HydrophobicContact CD1-CG 4.19Å; I462-V470 HydrophobicContact CD1-CG2 4.45Å; I462-W473 HydrophobicContact CD1-CB 3.58Å; I462-W473 HydrophobicContact CD1-CD2 4.42Å; I462-W473 HydrophobicContact CD1-CG 3.62Å; I462-W473 HydrophobicContact CG1-CB 4.42Å; I462-W473 HydrophobicContact CG1-CD2 4.45Å; I462-W473 HydrophobicContact CG1-CG 3.92Å; I462-W473 HydrophobicContact CG2-CD2 3.53Å; I462-W473 VanDerWaalsContact CG2-CE2 3.5Å; I462-W473 HydrophobicContact CG2-CE3 3.94Å; I462-W473 HydrophobicContact CG2-CG 3.87Å; I462-W473 HydrophobicContact CG2-CH2 4.18Å; I462-W473 HydrophobicContact CG2-CZ2 3.82Å; I462-W473 HydrophobicContact CG2-CZ3 4.26Å; I462-N485 PolarHBondContact N-O 2.8Å; I462-V486 HydrophobicContact CD1-CG2 4.27Å; I462-V486 HydrophobicContact CG1-CB 4.47Å; I462-V486 HydrophobicContact CG1-CG1 4.41Å; I462-V486 HydrophobicContact CG1-CG2 3.95Å; I462-V486 CarbonylContact O-C 3.59Å; I462-V486 WeakPolarHBondContact O-CA 3.45Å; I462-N487 PolarHBondContact O-N 3.15Å
463	F	98.9	Very high	98.8	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.2	168.1	-72.7	-104	0	0	0	108.5	I306 I307 V308 F309 A312 L316 V317 N487	I306-F463 HydrophobicContact CD1-CE2 4.28Å; I306-F463 HydrophobicContact CG1-CE2 4.43Å; I306-F463 HydrophobicContact CG2-CD2 3.63Å; I306-F463 HydrophobicContact CG2-CE2 3.68Å; I307-F463 PolarHBondContact O-N 2.94Å; V308-F463 HydrophobicContact CG1-CB 4.37Å; F309-F463 PolarHBondContact N-O 2.62Å; A312-F463 HydrophobicContact CB-CB 3.96Å; A312-F463 WeakPolarHBondContact CB-O 3.46Å; L316-F463 HydrophobicContact CD2-CD1 4.27Å; L316-F463 HydrophobicContact CD2-CE1 4.12Å; L316-F463 HydrophobicContact CG-CD1 4.33Å; L316-F463 HydrophobicContact CG-CE1 3.95Å; V317-F463 HydrophobicContact CG2-CB 3.74Å; V317-F463 HydrophobicContact CG2-CD1 3.69Å; V317-F463 HydrophobicContact CG2-CG 3.8Å; F463-N487 VanDerWaalsContact CA-OD1 3.29Å; F463-N487 WeakPolarHBondContact CA-OD1 3.43Å
464	T	98.9	Very high	98.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.206	C	C	.	.			trans	-166.8	162.5	-175	-168.1	0	0	0	0	110	D311 I462 D466 R469 V470 N487	D311-T464 WeakPolarHBondContact OD1-CB 3.32Å; D311-T464 PolarHBondContact OD1-OG1 3.31Å; D311-T464 PolarHBondContact OD2-OG1 2.84Å; I462-T464 HydrophobicContact CD1-CG2 3.78Å; I462-T464 HydrophobicContact CG1-CG2 4.36Å; T464-D466 PolarHBondContact OG1-N 2.76Å; T464-R469 HydrophobicContact CG2-CB 4.43Å; T464-R469 HydrophobicContact CG2-CG 4.25Å; T464-R469 PolarHBondContact OG1-NH1 2.95Å; T464-V470 HydrophobicContact CG2-CG2 3.93Å; T464-N487 PolarHBondContact N-OD1 2.76Å; T464-N487 VanDerWaalsContact N-OD1 3.1Å; T464-N487 PolarHBondContact O-ND2 2.9Å; T464-N487 PolarHBondContact O-OD1 2.97Å
465	K	98.8	Very high	98.8	Very high	141 Å²	141	44.6 Å²	44.6	61%	0.613	22%	0.215	S	C	*	.			trans	-110.3	-8.2	170.6	-65.2	177	-176.6	173.1	0	112.1	D311 M467	D311-K465 WeakPolarHBondContact O-CD 3.49Å; D311-K465 WeakPolarHBondContact O-CG 3.17Å; D311-K465 WeakPolarHBondContact OD2-CA 3.39Å; D311-K465 PolarHBondContact OD2-N 3.49Å; K465-M467 PolarHBondContact O-N 3.12Å
466	D	98.8	Very high	98.8	Very high	60 Å²	60	44.4 Å²	44.4	32%	0.321	23%	0.228	S	C	.	.			trans	-68.7	111.8	175.9	-174	-52.5	0	0	0	111.5	D311 T464 G468 R469 V470	D311-D466 PolarHBondContact OD2-N 2.87Å; T464-D466 PolarHBondContact OG1-N 2.76Å; D466-G468 PolarHBondContact O-N 2.92Å; D466-G468 VanDerWaalsContact OD1-CA 3.32Å; D466-G468 WeakPolarHBondContact OD1-CA 3.47Å; D466-G468 PolarHBondContact OD1-N 3.34Å; D466-R469 HydrophobicContact CB-CB 3.85Å; D466-R469 PolarHBondContact O-N 3.43Å; D466-R469 PolarHBondContact OD1-N 2.99Å; D466-V470 WeakPolarHBondContact O-CG2 3.24Å; D466-V470 PolarHBondContact O-N 2.93Å; D466-V470 VanDerWaalsContact O-N 3.15Å
467	M	98.6	Very high	98.8	Very high	118 Å²	118	52.2 Å²	52.2	58%	0.581	26%	0.262	S	S	*	.	H	α-helix	trans	-65.3	-36	179.6	-73.9	-55.2	-46.2	0	0	113.6	K465 R469 V470 F471	K465-M467 PolarHBondContact O-N 3.12Å; M467-R469 VanDerWaalsContact C-N 3.33Å; M467-V470 WeakPolarHBondContact O-CB 3.43Å; M467-V470 PolarHBondContact O-N 3.33Å; M467-F471 HydrophobicContact CE-CD2 4.23Å; M467-F471 HydrophobicContact CE-CE2 3.6Å; M467-F471 HydrophobicContact CE-CZ 4.43Å; M467-F471 VanDerWaalsContact O-CD2 3.26Å; M467-F471 WeakPolarHBondContact O-CD2 3.3Å; M467-F471 PolarHBondContact O-N 2.87Å
468	G	98.8	Very high	98.8	Very high	29 Å²	29	52.4 Å²	52.4	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-65	-41.2	178.4	0	0	0	0	0	111.2	D466 V470 F471 R472	D466-G468 PolarHBondContact O-N 2.92Å; D466-G468 VanDerWaalsContact OD1-CA 3.32Å; D466-G468 WeakPolarHBondContact OD1-CA 3.47Å; D466-G468 PolarHBondContact OD1-N 3.34Å; G468-V470 VanDerWaalsContact C-N 3.34Å; G468-F471 PolarHBondContact O-N 3.09Å; G468-R472 VanDerWaalsContact C-CZ 3.49Å; G468-R472 WeakPolarHBondContact O-CG 3.42Å; G468-R472 PolarHBondContact O-N 2.96Å; G468-R472 PolarHBondContact O-NH1 2.8Å
469	R	98.9	Very high	98.8	Very high	32 Å²	32	53.1 Å²	53.1	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-62.3	-41.3	175.9	-176.7	175.1	-62.9	136.4	0.3	111.8	F309 D311 E444 F448 I462 T464 D466 M467 F471 R472 W473	F309-R469 HydrophobicContact CE2-CG 4.45Å; F309-R469 HydrophobicContact CZ-CG 4.43Å; D311-R469 IonicContact OD1-NH1 3.3Å; D311-R469 PolarHBondContact OD1-NH1 3.42Å; D311-R469 IonicContact OD2-NH1 3.95Å; E444-R469 HydrophobicContact CG-CG 4.33Å; E444-R469 VanDerWaalsContact OE2-CG 3.3Å; E444-R469 WeakPolarHBondContact OE2-CG 3.44Å; E444-R469 IonicContact OE2-CZ 2.86Å; E444-R469 IonicContact OE2-NE 3.65Å; E444-R469 PolarHBondContact OE2-NE 3.32Å; E444-R469 IonicContact OE2-NH2 3.47Å; F448-R469 HydrophobicContact CZ-CG 4.13Å; I462-R469 HydrophobicContact CD1-CG 4.19Å; T464-R469 HydrophobicContact CG2-CB 4.43Å; T464-R469 HydrophobicContact CG2-CG 4.25Å; T464-R469 PolarHBondContact OG1-NH1 2.95Å; D466-R469 HydrophobicContact CB-CB 3.85Å; D466-R469 PolarHBondContact O-N 3.43Å; D466-R469 PolarHBondContact OD1-N 2.99Å; M467-R469 VanDerWaalsContact C-N 3.33Å; R469-F471 PolarHBondContact O-N 3.31Å; R469-R472 PolarHBondContact O-N 2.85Å; R469-W473 VanDerWaalsContact O-CB 3.29Å; R469-W473 WeakPolarHBondContact O-CB 3.35Å; R469-W473 PolarHBondContact O-N 3.2Å
470	V	98.9	Very high	98.8	Very high	17 Å²	17	55.5 Å²	55.5	10%	0.103	28%	0.281	C	S	.	.	H	α-helix	trans	-55.7	-50.4	174.6	165.9	0	0	0	0	111.4	I462 T464 D466 M467 G468 W473 M474 V486	I462-V470 HydrophobicContact CD1-CG2 4.45Å; T464-V470 HydrophobicContact CG2-CG2 3.93Å; D466-V470 WeakPolarHBondContact O-CG2 3.24Å; D466-V470 PolarHBondContact O-N 2.93Å; D466-V470 VanDerWaalsContact O-N 3.15Å; M467-V470 WeakPolarHBondContact O-CB 3.43Å; M467-V470 PolarHBondContact O-N 3.33Å; G468-V470 VanDerWaalsContact C-N 3.34Å; V470-W473 PolarHBondContact O-N 3.45Å; V470-M474 HydrophobicContact CG1-CE 3.68Å; V470-M474 PolarHBondContact O-N 2.88Å; V470-V486 HydrophobicContact CG1-CG1 4.38Å; V470-V486 HydrophobicContact CG1-CG2 4.12Å; V470-V486 HydrophobicContact CG2-CG1 3.62Å; V470-V486 HydrophobicContact CG2-CG2 4.39Å
471	F	98.8	Very high	98.8	Very high	137 Å²	137	56.2 Å²	56.2	60%	0.601	29%	0.286	S	S	*	.	H	α-helix	trans	-70.9	-31.5	178.8	-74.7	-74	0	0	0	113.6	M467 G468 R469 M474 G475	M467-F471 HydrophobicContact CE-CD2 4.23Å; M467-F471 HydrophobicContact CE-CE2 3.6Å; M467-F471 HydrophobicContact CE-CZ 4.43Å; M467-F471 VanDerWaalsContact O-CD2 3.26Å; M467-F471 WeakPolarHBondContact O-CD2 3.3Å; M467-F471 PolarHBondContact O-N 2.87Å; G468-F471 PolarHBondContact O-N 3.09Å; R469-F471 PolarHBondContact O-N 3.31Å; F471-M474 HydrophobicContact CD1-CE 3.73Å; F471-M474 HydrophobicContact CE1-CE 4.03Å; F471-M474 HydrophobicContact CG-CE 4.3Å; F471-G475 PolarHBondContact O-N 3.19Å
472	R	98.9	Very high	98.8	Very high	115 Å²	115	57.4 Å²	57.4	43%	0.434	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-39.4	172.9	-73.3	-173	-58.6	-88.4	2.6	111.8	E444 F448 G468 R469 G475 G478	E444-R472 IonicContact OE1-CZ 3.38Å; E444-R472 IonicContact OE1-NE 2.71Å; E444-R472 PolarHBondContact OE1-NE 2.8Å; E444-R472 IonicContact OE1-NH2 3.2Å; E444-R472 PolarHBondContact OE1-NH2 3.2Å; E444-R472 IonicContact OE2-CZ 3.79Å; E444-R472 IonicContact OE2-NE 3.87Å; E444-R472 IonicContact OE2-NH2 2.85Å; E444-R472 PolarHBondContact OE2-NH2 2.93Å; F448-R472 HydrophobicContact CE2-CB 4.43Å; G468-R472 VanDerWaalsContact C-CZ 3.49Å; G468-R472 WeakPolarHBondContact O-CG 3.42Å; G468-R472 PolarHBondContact O-N 2.96Å; G468-R472 PolarHBondContact O-NH1 2.8Å; R469-R472 PolarHBondContact O-N 2.85Å; R472-G475 PolarHBondContact O-N 3.23Å; R472-G475 VanDerWaalsContact O-N 3.09Å; R472-G478 VanDerWaalsContact O-CA 3.24Å; R472-G478 WeakPolarHBondContact O-CA 3.4Å; R472-G478 PolarHBondContact O-N 3.14Å
473	W	98.9	Very high	98.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-38.1	177.6	177.1	-119.2	0	0	0	113.7	I307 F448 N451 S460 I462 R469 V470 G475 G478 S479 V484 N485	I307-W473 HydrophobicContact CD1-CH2 4.02Å; I307-W473 HydrophobicContact CD1-CZ3 4.1Å; F448-W473 AromaticContact CD1-CE3 3.54Å; F448-W473 HydrophobicContact CD1-CE3 3.54Å; F448-W473 AromaticContact CD1-CZ3 3.6Å; F448-W473 HydrophobicContact CD1-CZ3 3.6Å; F448-W473 HydrophobicContact CD2-CE3 4.14Å; F448-W473 HydrophobicContact CE1-CD2 4.2Å; F448-W473 AromaticContact CE1-CE3 3.4Å; F448-W473 HydrophobicContact CE1-CE3 3.4Å; F448-W473 VanDerWaalsContact CE1-CE3 3.4Å; F448-W473 AromaticContact CE1-CZ3 3.9Å; F448-W473 HydrophobicContact CE1-CZ3 3.9Å; F448-W473 HydrophobicContact CE2-CB 4.29Å; F448-W473 HydrophobicContact CE2-CE3 4.02Å; F448-W473 AromaticContact CG-CE3 3.93Å; F448-W473 HydrophobicContact CG-CE3 3.93Å; F448-W473 HydrophobicContact CG-CZ3 4.01Å; F448-W473 HydrophobicContact CZ-CB 3.84Å; F448-W473 HydrophobicContact CZ-CD2 4.29Å; F448-W473 AromaticContact CZ-CE3 3.66Å; F448-W473 HydrophobicContact CZ-CE3 3.66Å; F448-W473 HydrophobicContact CZ-CG 4.42Å; N451-W473 HydrophobicContact CB-CH2 4.11Å; N451-W473 HydrophobicContact CB-CZ3 4.4Å; N451-W473 WeakPolarHBondContact ND2-CH2 3.3Å; S460-W473 VanDerWaalsContact CB-CZ2 3.49Å; S460-W473 VanDerWaalsContact OG-CZ2 3.28Å; S460-W473 WeakPolarHBondContact OG-CZ2 3.31Å; I462-W473 HydrophobicContact CD1-CB 3.58Å; I462-W473 HydrophobicContact CD1-CD2 4.42Å; I462-W473 HydrophobicContact CD1-CG 3.62Å; I462-W473 HydrophobicContact CG1-CB 4.42Å; I462-W473 HydrophobicContact CG1-CD2 4.45Å; I462-W473 HydrophobicContact CG1-CG 3.92Å; I462-W473 HydrophobicContact CG2-CD2 3.53Å; I462-W473 VanDerWaalsContact CG2-CE2 3.5Å; I462-W473 HydrophobicContact CG2-CE3 3.94Å; I462-W473 HydrophobicContact CG2-CG 3.87Å; I462-W473 HydrophobicContact CG2-CH2 4.18Å; I462-W473 HydrophobicContact CG2-CZ2 3.82Å; I462-W473 HydrophobicContact CG2-CZ3 4.26Å; R469-W473 VanDerWaalsContact O-CB 3.29Å; R469-W473 WeakPolarHBondContact O-CB 3.35Å; R469-W473 PolarHBondContact O-N 3.2Å; V470-W473 PolarHBondContact O-N 3.45Å; W473-G475 VanDerWaalsContact C-N 3.29Å; W473-G478 WeakPolarHBondContact O-CA 3.29Å; W473-S479 VanDerWaalsContact CH2-CB 3.42Å; W473-S479 VanDerWaalsContact CZ2-CB 3.49Å; W473-S479 PolarHBondContact O-N 3.24Å; W473-V484 VanDerWaalsContact CD1-CG1 3.48Å; W473-V484 HydrophobicContact CD2-CG1 4.3Å; W473-V484 HydrophobicContact CG-CG1 4.16Å; W473-N485 PolarHBondContact NE1-O 3.07Å; W473-N485 VanDerWaalsContact NE1-O 3.16Å
474	M	98.7	Very high	98.8	Very high	101 Å²	101	60.3 Å²	60.3	50%	0.498	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.2	173.3	-62.6	-178	-65.1	0	0	113.1	V470 F471 V484	V470-M474 HydrophobicContact CG1-CE 3.68Å; V470-M474 PolarHBondContact O-N 2.88Å; F471-M474 HydrophobicContact CD1-CE 3.73Å; F471-M474 HydrophobicContact CE1-CE 4.03Å; F471-M474 HydrophobicContact CG-CE 4.3Å; M474-V484 HydrophobicContact CG-CG1 4.34Å
475	G	98.6	Very high	98.8	Very high	21 Å²	21	61.4 Å²	61.4	22%	0.216	32%	0.322	C	S	.	.	S	Bend	trans	-87	-177.9	-174.5	0	0	0	0	0	113.8	F471 R472 W473 K477 G478	F471-G475 PolarHBondContact O-N 3.19Å; R472-G475 PolarHBondContact O-N 3.23Å; R472-G475 VanDerWaalsContact O-N 3.09Å; W473-G475 VanDerWaalsContact C-N 3.29Å; G475-K477 PolarHBondContact O-N 3.28Å; G475-G478 PolarHBondContact O-N 3.46Å
476	P	98.5	Very high	98.8	Very high	137 Å²	137	56.6 Å²	56.6	89%	0.89	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-10.2	-173	28.3	-37.1	0	0	0	114.8
477	K	98.4	Very high	98.8	Very high	185 Å²	185	56.4 Å²	56.4	80%	0.804	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	11.9	177.7	-57.2	-55.8	-170.6	82.4	0	112.3	G475	G475-K477 PolarHBondContact O-N 3.28Å
478	G	98.8	Very high	98.8	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.031	30%	0.295	C	S	.	.	S	Bend	trans	-94.5	-136.7	178.8	0	0	0	0	0	112.2	N452 R472 W473 G475	N452-G478 PolarHBondContact ND2-O 2.93Å; R472-G478 VanDerWaalsContact O-CA 3.24Å; R472-G478 WeakPolarHBondContact O-CA 3.4Å; R472-G478 PolarHBondContact O-N 3.14Å; W473-G478 WeakPolarHBondContact O-CA 3.29Å; G475-G478 PolarHBondContact O-N 3.46Å
479	S	98.9	Very high	98.8	Very high	18 Å²	18	54 Å²	54	13%	0.126	29%	0.285	C	S	.	.			trans	-66.7	143.7	177.6	-166.9	0	0	0	0	112.1	N451 S460 W473 C481	N451-S479 PolarHBondContact ND2-OG 3.18Å; S460-S479 WeakPolarHBondContact CB-OG 3.24Å; S460-S479 WeakPolarHBondContact OG-CB 3.41Å; S460-S479 PolarHBondContact OG-OG 3.46Å; W473-S479 VanDerWaalsContact CH2-CB 3.42Å; W473-S479 VanDerWaalsContact CZ2-CB 3.49Å; W473-S479 PolarHBondContact O-N 3.24Å; S479-C481 PolarHBondContact OG-N 2.94Å
480	D	98.8	Very high	98.8	Very high	50 Å²	50	52.4 Å²	52.4	27%	0.267	28%	0.28	S	S	.	.			trans	-102.1	14.7	170.6	69.8	2.4	0	0	0	113.5	N452 E502 K503	N452-D480 WeakPolarHBondContact CA-OD2 3.48Å; N452-D480 HydrophobicContact CB-CB 4.48Å; N452-D480 VanDerWaalsContact CB-OD2 3.26Å; N452-D480 WeakPolarHBondContact CB-OD2 3.1Å; N452-D480 VanDerWaalsContact CG-CG 3.41Å; N452-D480 PolarHBondContact OD1-N 3.32Å; N452-D480 VanDerWaalsContact OD1-N 3.09Å; N452-D480 PolarHBondContact OD1-OD1 3.29Å; N452-D480 VanDerWaalsContact OD1-OD1 3.12Å; D480-E502 WeakPolarHBondContact O-CB 3.49Å; D480-K503 WeakPolarHBondContact OD1-CE 3.37Å; D480-K503 IonicContact OD1-NZ 3.59Å; D480-K503 PolarHBondContact OD1-NZ 3.28Å; D480-K503 WeakPolarHBondContact OD2-CD 3.38Å; D480-K503 WeakPolarHBondContact OD2-CE 3.34Å; D480-K503 IonicContact OD2-NZ 2.75Å; D480-K503 PolarHBondContact OD2-NZ 2.85Å
481	C	98.9	Very high	98.7	Very high	15 Å²	15	53 Å²	53	10%	0.101	29%	0.285	C	S	.	.	S	Bend	trans	-84.5	159.4	177.3	-66.9	0	0	0	0	112.4	G457 S479 V484	G457-C481 VanDerWaalsContact O-CA 3.3Å; G457-C481 WeakPolarHBondContact O-CA 3.49Å; S479-C481 PolarHBondContact OG-N 2.94Å; C481-V484 WeakPolarHBondContact O-CG2 3.29Å
482	G	98.8	Very high	98.4	Very high	26 Å²	26	47.4 Å²	47.4	27%	0.268	27%	0.265	S	S	.	.	S	Bend	trans	-72.4	-30.7	173.5	0	0	0	0	0	113.6	G457 L458 G500	G457-G482 PolarHBondContact O-N 2.81Å; L458-G482 PolarHBondContact O-N 3.32Å; G482-G500 WeakPolarHBondContact CA-O 3.35Å
483	I	98.9	Very high	98.3	Very high	15 Å²	15	44.2 Å²	44.2	8%	0.077	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.9	174.3	-57.4	167.3	0	0	0	109	L458 S459 S460 N485 A493 F499	L458-I483 HydrophobicContact CD1-CD1 4.39Å; L458-I483 PolarHBondContact O-N 3.16Å; S459-I483 WeakPolarHBondContact CA-O 3.41Å; S460-I483 PolarHBondContact N-O 3.04Å; S460-I483 PolarHBondContact OG-O 3.43Å; I483-N485 WeakPolarHBondContact CG2-OD1 3.24Å; I483-A493 HydrophobicContact CD1-CB 4.36Å; I483-F499 HydrophobicContact CD1-CD2 3.73Å; I483-F499 HydrophobicContact CD1-CE2 3.66Å; I483-F499 HydrophobicContact CD1-CZ 4.46Å
484	V	98.9	Very high	98.1	Very high	46 Å²	46	51.8 Å²	51.8	28%	0.279	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	96.4	-173.3	-175	0	0	0	0	109.2	W473 M474 C481	W473-V484 VanDerWaalsContact CD1-CG1 3.48Å; W473-V484 HydrophobicContact CD2-CG1 4.3Å; W473-V484 HydrophobicContact CG-CG1 4.16Å; M474-V484 HydrophobicContact CG-CG1 4.34Å; C481-V484 WeakPolarHBondContact O-CG2 3.29Å
485	N	98.9	Very high	98	Very high	23 Å²	23	48 Å²	48	12%	0.123	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	154.1	-170.3	-74.8	-11.1	0	0	0	112.7	S460 S461 I462 W473 I483 I488 P489 G492	S460-N485 WeakPolarHBondContact O-CB 3.46Å; S460-N485 PolarHBondContact O-N 3.03Å; S461-N485 WeakPolarHBondContact CA-O 3.27Å; S461-N485 WeakPolarHBondContact OG-CB 3.27Å; I462-N485 PolarHBondContact N-O 2.8Å; W473-N485 PolarHBondContact NE1-O 3.07Å; W473-N485 VanDerWaalsContact NE1-O 3.16Å; I483-N485 WeakPolarHBondContact CG2-OD1 3.24Å; N485-I488 HydrophobicContact CB-CG2 3.68Å; N485-P489 PolarHBondContact ND2-O 3.46Å; N485-G492 PolarHBondContact ND2-O 2.89Å
486	V	98.9	Very high	97.9	Very high	40 Å²	40	49.3 Å²	49.3	24%	0.242	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	124.1	175.5	178	0	0	0	0	109	I462 V470 I488	I462-V486 HydrophobicContact CD1-CG2 4.27Å; I462-V486 HydrophobicContact CG1-CB 4.47Å; I462-V486 HydrophobicContact CG1-CG1 4.41Å; I462-V486 HydrophobicContact CG1-CG2 3.95Å; I462-V486 CarbonylContact O-C 3.59Å; I462-V486 WeakPolarHBondContact O-CA 3.45Å; V470-V486 HydrophobicContact CG1-CG1 4.38Å; V470-V486 HydrophobicContact CG1-CG2 4.12Å; V470-V486 HydrophobicContact CG2-CG1 3.62Å; V470-V486 HydrophobicContact CG2-CG2 4.39Å; V486-I488 PolarHBondContact O-N 3.44Å; V486-I488 VanDerWaalsContact O-N 3.08Å
487	N	98.7	Very high	97.8	Very high	57 Å²	57	44.5 Å²	44.5	31%	0.305	27%	0.269	S	S	.	.	S	Bend	trans	56.4	22	179.2	-63	-39.8	0	0	0	114.9	L316 I462 F463 T464	L316-N487 HydrophobicContact CD2-CB 4.04Å; I462-N487 PolarHBondContact O-N 3.15Å; F463-N487 VanDerWaalsContact CA-OD1 3.29Å; F463-N487 WeakPolarHBondContact CA-OD1 3.43Å; T464-N487 PolarHBondContact N-OD1 2.76Å; T464-N487 VanDerWaalsContact N-OD1 3.1Å; T464-N487 PolarHBondContact O-ND2 2.9Å; T464-N487 PolarHBondContact O-OD1 2.97Å
488	I	98.7	Very high	97.8	Very high	79 Å²	79	37.4 Å²	37.4	41%	0.405	25%	0.245	S	C	.	.	S	Bend	trans	-139.5	140.9	170.7	-171.4	175.4	0	0	0	107.2	S461 N485 V486	S461-I488 VanDerWaalsContact CB-O 3.3Å; S461-I488 WeakPolarHBondContact CB-O 3.42Å; S461-I488 PolarHBondContact OG-O 2.88Å; N485-I488 HydrophobicContact CB-CG2 3.68Å; V486-I488 PolarHBondContact O-N 3.44Å; V486-I488 VanDerWaalsContact O-N 3.08Å
489	P	98.8	Very high	97.8	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.104	25%	0.249	C	C	.	.			trans	-70.6	178.3	-174.4	28.5	-36.1	0	0	0	113.1	I306 A324 S461 N485 S491 G492	I306-P489 HydrophobicContact CD1-CB 3.88Å; A324-P489 HydrophobicContact CB-CB 3.49Å; A324-P489 VanDerWaalsContact CB-CB 3.49Å; A324-P489 HydrophobicContact CB-CG 4.16Å; S461-P489 WeakPolarHBondContact OG-CA 3.44Å; S461-P489 PolarHBondContact OG-O 2.68Å; N485-P489 PolarHBondContact ND2-O 3.46Å; P489-S491 PolarHBondContact O-N 3.33Å; P489-S491 VanDerWaalsContact O-N 3.1Å; P489-G492 PolarHBondContact O-N 3.07Å
490	T	98.8	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.3	-172.9	54.3	0	0	0	0	114.4	N304 A305 I306 T334 T336 S459 S461	N304-T490 HydrophobicContact CB-CG2 3.7Å; A305-T490 WeakPolarHBondContact O-CG2 3.31Å; I306-T490 HydrophobicContact CG1-CG2 3.97Å; T334-T490 WeakPolarHBondContact CB-O 3.5Å; T334-T490 WeakPolarHBondContact O-CB 3.28Å; T334-T490 PolarHBondContact O-OG1 2.84Å; T336-T490 PolarHBondContact N-OG1 3.3Å; T336-T490 PolarHBondContact OG1-OG1 3.49Å; S459-T490 WeakPolarHBondContact CB-O 3.46Å; S459-T490 VanDerWaalsContact OG-CA 3.31Å; S459-T490 WeakPolarHBondContact OG-CA 3.44Å; S459-T490 WeakPolarHBondContact OG-CB 3.39Å; S459-T490 PolarHBondContact OG-O 2.89Å; S461-T490 PolarHBondContact OG-N 2.86Å
491	S	97.4	Very high	97.8	Very high	30 Å²	30	35.3 Å²	35.3	21%	0.21	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	2.4	176.1	-58.4	0	0	0	0	113.8	T334 P489 A493	T334-S491 PolarHBondContact O-OG 2.84Å; T334-S491 PolarHBondContact OG1-OG 3.19Å; P489-S491 PolarHBondContact O-N 3.33Å; P489-S491 VanDerWaalsContact O-N 3.1Å; S491-A493 PolarHBondContact O-N 3.17Å; S491-A493 VanDerWaalsContact O-N 3.15Å
492	G	92.1	Very high	97.8	Very high	18 Å²	18	38.4 Å²	38.4	19%	0.186	24%	0.243	C	C	.	.			trans	-72.4	100.6	172.3	0	0	0	0	0	110.6	N485 P489	N485-G492 PolarHBondContact ND2-O 2.89Å; P489-G492 PolarHBondContact O-N 3.07Å
493	A	96.3	Very high	97.8	Very high	48 Å²	48	40.8 Å²	40.8	40%	0.397	25%	0.246	S	C	.	.			trans	-148.7	155.2	172.2	0	0	0	0	0	108.5	I483 S491 F499	I483-A493 HydrophobicContact CD1-CB 4.36Å; S491-A493 PolarHBondContact O-N 3.17Å; S491-A493 VanDerWaalsContact O-N 3.15Å; A493-F499 HydrophobicContact CB-CD2 3.97Å; A493-F499 HydrophobicContact CB-CE2 4.35Å
494	E	96.3	Very high	97.8	Very high	159 Å²	159	44.5 Å²	44.5	74%	0.743	26%	0.263	S	S	*	.			trans	-148	158.2	-177.8	60.8	-177.8	93.7	0	0	110.9	G496 G497	E494-G496 PolarHBondContact O-N 3.1Å; E494-G496 VanDerWaalsContact O-N 3.11Å; E494-G497 PolarHBondContact O-N 3.28Å; E494-G497 VanDerWaalsContact O-N 3.1Å
495	I	96.3	Very high	97.8	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.118	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.3	-169.7	-70.7	157.6	0	0	0	113.9	E152 D155 V156 Y159 G497 S511 G512	E152-I495 WeakPolarHBondContact OE2-CD1 3.49Å; E152-I495 WeakPolarHBondContact OE2-CG1 3.28Å; D155-I495 HydrophobicContact CB-CD1 3.27Å; V156-I495 HydrophobicContact CB-CD1 4.41Å; V156-I495 HydrophobicContact CB-CG1 4.5Å; V156-I495 HydrophobicContact CB-CG2 4.22Å; V156-I495 HydrophobicContact CG2-CG2 4.2Å; Y159-I495 HydrophobicContact CD1-CG2 4.33Å; Y159-I495 HydrophobicContact CD2-CG2 4.49Å; Y159-I495 HydrophobicContact CG-CG2 3.98Å; I495-G497 PolarHBondContact O-N 2.98Å; I495-S511 WeakPolarHBondContact CG2-OG 3.31Å; I495-S511 PolarHBondContact O-OG 3Å; I495-G512 WeakPolarHBondContact O-CA 3.45Å; I495-G512 PolarHBondContact O-N 3.42Å; I495-G512 VanDerWaalsContact O-N 3.12Å
496	G	95.8	Very high	97.8	Very high	48 Å²	48	42.6 Å²	42.6	50%	0.495	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.5	-179.8	0	0	0	0	0	114	E494 S513	E494-G496 PolarHBondContact O-N 3.1Å; E494-G496 VanDerWaalsContact O-N 3.11Å; G496-S513 PolarHBondContact O-N 2.9Å
497	G	97.4	Very high	97.8	Very high	35 Å²	35	42.5 Å²	42.5	36%	0.361	27%	0.265	S	S	.	.	S	Bend	trans	-91.3	156.5	178.6	0	0	0	0	0	113.3	E494 I495 F499 G512	E494-G497 PolarHBondContact O-N 3.28Å; E494-G497 VanDerWaalsContact O-N 3.1Å; I495-G497 PolarHBondContact O-N 2.98Å; G497-F499 PolarHBondContact O-N 2.91Å; G497-G512 WeakPolarHBondContact O-CA 3.29Å; G497-G512 PolarHBondContact O-N 2.89Å
498	A	98.5	Very high	97.8	Very high	36 Å²	36	39.9 Å²	39.9	30%	0.298	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	112.5	166.9	0	0	0	0	0	109.4	R509 S515	A498-R509 HydrophobicContact CB-CB 4.14Å; A498-R509 HydrophobicContact CB-CG 4.13Å; A498-S515 WeakPolarHBondContact CB-OG 3.42Å
499	F	98.9	Very high	97.8	Very high	27 Å²	27	38.2 Å²	38.2	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	134.4	175.8	178.8	-86.7	0	0	0	109.9	T334 L458 I483 A493 G497 R509 E510	T334-F499 HydrophobicContact CG2-CE2 3.88Å; T334-F499 HydrophobicContact CG2-CZ 3.98Å; L458-F499 HydrophobicContact CD1-CE1 4.35Å; L458-F499 HydrophobicContact CD1-CZ 4.18Å; I483-F499 HydrophobicContact CD1-CD2 3.73Å; I483-F499 HydrophobicContact CD1-CE2 3.66Å; I483-F499 HydrophobicContact CD1-CZ 4.46Å; A493-F499 HydrophobicContact CB-CD2 3.97Å; A493-F499 HydrophobicContact CB-CE2 4.35Å; G497-F499 PolarHBondContact O-N 2.91Å; F499-R509 CarbonylContact O-C 3.51Å; F499-R509 WeakPolarHBondContact O-CA 3.47Å; F499-R509 VanDerWaalsContact O-CD 3.26Å; F499-R509 WeakPolarHBondContact O-CD 3.18Å; F499-E510 PolarHBondContact N-O 2.98Å; F499-E510 PolarHBondContact O-N 2.75Å
500	G	98.5	Very high	97.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.236	C	C	.	.			trans	152	-176.7	169.2	0	0	0	0	0	112	E299 G482	E299-G500 WeakPolarHBondContact OE1-CA 3.39Å; E299-G500 VanDerWaalsContact OE2-CA 3.23Å; E299-G500 WeakPolarHBondContact OE2-CA 3.21Å; G482-G500 WeakPolarHBondContact CA-O 3.35Å
501	G	98.5	Very high	97.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	24%	0.237	C	C	.	.			trans	-134.3	170.6	-171.1	0	0	0	0	0	115.7	G457 G507 R509	G457-G501 CarbonylContact O-C 3.54Å; G457-G501 VanDerWaalsContact O-CA 3.26Å; G457-G501 WeakPolarHBondContact O-CA 3.33Å; G501-G507 WeakPolarHBondContact O-CA 3.45Å; G501-G507 PolarHBondContact O-N 2.85Å; G501-R509 PolarHBondContact O-NH1 2.87Å; G501-R509 VanDerWaalsContact O-NH1 3.12Å
502	E	98.8	Very high	97.7	Very high	80 Å²	80	36.2 Å²	36.2	37%	0.374	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-178.2	179.2	-65.4	-54.5	127	0	0	112	G457 D480 H504 T505 R509	G457-E502 PolarHBondContact O-N 3.14Å; D480-E502 WeakPolarHBondContact O-CB 3.49Å; E502-H504 PolarHBondContact O-N 3.13Å; E502-T505 WeakPolarHBondContact O-CB 3.06Å; E502-T505 PolarHBondContact O-N 2.91Å; E502-R509 IonicContact OE1-CZ 2.82Å; E502-R509 IonicContact OE1-NH1 3.59Å; E502-R509 PolarHBondContact OE1-NH1 3.42Å; E502-R509 IonicContact OE1-NH2 3.12Å; E502-R509 PolarHBondContact OE1-NH2 3.11Å
503	K	98.8	Very high	98	Very high	76 Å²	76	38.6 Å²	38.6	33%	0.33	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	54	-128.6	175.5	-56.6	-178.6	-79.9	-179.9	0	111.4	N452 V454 K455 Q456 D480 T505 G506	N452-K503 PolarHBondContact O-NZ 3.11Å; V454-K503 PolarHBondContact O-NZ 3.22Å; K455-K503 WeakPolarHBondContact O-CB 3.34Å; Q456-K503 WeakPolarHBondContact O-CE 3.48Å; Q456-K503 PolarHBondContact O-NZ 2.94Å; D480-K503 WeakPolarHBondContact OD1-CE 3.37Å; D480-K503 IonicContact OD1-NZ 3.59Å; D480-K503 PolarHBondContact OD1-NZ 3.28Å; D480-K503 WeakPolarHBondContact OD2-CD 3.38Å; D480-K503 WeakPolarHBondContact OD2-CE 3.34Å; D480-K503 IonicContact OD2-NZ 2.75Å; D480-K503 PolarHBondContact OD2-NZ 2.85Å; K503-T505 PolarHBondContact O-N 3.05Å; K503-G506 PolarHBondContact O-N 2.84Å
504	H	98.8	Very high	98.1	Very high	94 Å²	94	39.9 Å²	39.9	44%	0.435	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.2	179.5	-74.7	-148.1	0	0	0	114.2	T279 K455 E502	T279-H504 HydrophobicContact CG2-CB 3.89Å; T279-H504 PolarHBondContact OG1-O 2.84Å; T279-H504 VanDerWaalsContact OG1-O 3.11Å; K455-H504 HydrophobicContact CB-CB 4.2Å; K455-H504 WeakPolarHBondContact O-CB 3.44Å; K455-H504 PolarHBondContact O-N 2.87Å; E502-H504 PolarHBondContact O-N 3.13Å
505	T	98.8	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.1	169.9	-54.3	0	0	0	0	111.3	L300 G301 G457 L458 E502 K503	L300-T505 VanDerWaalsContact CB-O 3.28Å; L300-T505 WeakPolarHBondContact CB-O 3.43Å; L300-T505 WeakPolarHBondContact CG-O 3.42Å; L300-T505 PolarHBondContact N-O 2.89Å; G301-T505 PolarHBondContact O-OG1 2.88Å; G457-T505 PolarHBondContact N-OG1 3.07Å; L458-T505 HydrophobicContact CB-CG2 3.79Å; L458-T505 HydrophobicContact CD1-CG2 3.91Å; L458-T505 HydrophobicContact CG-CG2 4.29Å; L458-T505 PolarHBondContact N-OG1 3.28Å; E502-T505 WeakPolarHBondContact O-CB 3.06Å; E502-T505 PolarHBondContact O-N 2.91Å; K503-T505 PolarHBondContact O-N 3.05Å
506	G	98.6	Very high	98.4	Very high	29 Å²	29	32.3 Å²	32.3	30%	0.299	20%	0.204	S	C	.	.			trans	112.3	-14.7	158.9	0	0	0	0	0	116.4	K503 G508	K503-G506 PolarHBondContact O-N 2.84Å; G506-G508 VanDerWaalsContact C-N 3.31Å; G506-G508 PolarHBondContact O-N 3.02Å
507	G	98.8	Very high	98.5	Very high	37 Å²	37	33.3 Å²	33.3	38%	0.381	20%	0.195	S	C	.	.	S	Bend	trans	82.9	-1.7	175.1	0	0	0	0	0	115.3	G501	G501-G507 WeakPolarHBondContact O-CA 3.45Å; G501-G507 PolarHBondContact O-N 2.85Å
508	G	98.7	Very high	98.6	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.031	19%	0.19	C	C	.	.			trans	-63.6	159.2	172.3	0	0	0	0	0	111.9	L298 E299 G506	L298-G508 PolarHBondContact O-N 2.79Å; L298-G508 VanDerWaalsContact O-N 3.17Å; E299-G508 VanDerWaalsContact OE1-O 3.07Å; G506-G508 VanDerWaalsContact C-N 3.31Å; G506-G508 PolarHBondContact O-N 3.02Å
509	R	98.8	Very high	98.6	Very high	44 Å²	44	32.6 Å²	32.6	17%	0.166	18%	0.176	C	C	.	.			trans	-138	140.7	166.8	-68.6	-61.4	-175.9	-71.4	-3.4	112.6	L297 E299 A498 F499 G501 E502 S515 Q518	L297-R509 WeakPolarHBondContact CD1-O 3.32Å; E299-R509 WeakPolarHBondContact OE1-CA 3.2Å; E299-R509 PolarHBondContact OE1-N 3.36Å; A498-R509 HydrophobicContact CB-CB 4.14Å; A498-R509 HydrophobicContact CB-CG 4.13Å; F499-R509 CarbonylContact O-C 3.51Å; F499-R509 WeakPolarHBondContact O-CA 3.47Å; F499-R509 VanDerWaalsContact O-CD 3.26Å; F499-R509 WeakPolarHBondContact O-CD 3.18Å; G501-R509 PolarHBondContact O-NH1 2.87Å; G501-R509 VanDerWaalsContact O-NH1 3.12Å; E502-R509 IonicContact OE1-CZ 2.82Å; E502-R509 IonicContact OE1-NH1 3.59Å; E502-R509 PolarHBondContact OE1-NH1 3.42Å; E502-R509 IonicContact OE1-NH2 3.12Å; E502-R509 PolarHBondContact OE1-NH2 3.11Å; R509-S515 WeakPolarHBondContact CB-OG 3.34Å; R509-Q518 PolarHBondContact O-NE2 3.03Å
510	E	98.9	Very high	98.6	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	167.5	179.1	-62.9	179.4	144	0	0	111.5	W206 N207 L297 E299 F499 G512 S515	W206-E510 HydrophobicContact CB-CB 4.45Å; N207-E510 PolarHBondContact ND2-OE1 3.13Å; L297-E510 HydrophobicContact CD1-CG 4.45Å; L297-E510 HydrophobicContact CD2-CG 4.04Å; E299-E510 HydrophobicContact CG-CG 3.99Å; F499-E510 PolarHBondContact N-O 2.98Å; F499-E510 PolarHBondContact O-N 2.75Å; E510-G512 PolarHBondContact O-N 3.45Å; E510-S515 PolarHBondContact O-OG 3.08Å
511	S	98.3	Very high	98.6	Very high	3 Å²	3	37 Å²	37	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.2	-109	172.1	-156	0	0	0	0	115.7	I495	I495-S511 WeakPolarHBondContact CG2-OG 3.31Å; I495-S511 PolarHBondContact O-OG 3Å
512	G	96	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-83.5	-163.4	-164.3	0	0	0	0	0	116.6	I495 G497 E510 D514 S515	I495-G512 WeakPolarHBondContact O-CA 3.45Å; I495-G512 PolarHBondContact O-N 3.42Å; I495-G512 VanDerWaalsContact O-N 3.12Å; G497-G512 WeakPolarHBondContact O-CA 3.29Å; G497-G512 PolarHBondContact O-N 2.89Å; E510-G512 PolarHBondContact O-N 3.45Å; G512-D514 PolarHBondContact O-N 3.18Å; G512-S515 VanDerWaalsContact O-CB 3.28Å; G512-S515 WeakPolarHBondContact O-CB 3.39Å; G512-S515 PolarHBondContact O-N 3.16Å; G512-S515 PolarHBondContact O-OG 3.48Å
513	S	98.6	Very high	98.6	Very high	68 Å²	68	41.9 Å²	41.9	48%	0.476	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-134.2	-174.4	-168	0	0	0	0	112	Y159 G496	Y159-S513 PolarHBondContact OH-N 2.86Å; Y159-S513 PolarHBondContact OH-O 2.79Å; G496-S513 PolarHBondContact O-N 2.9Å
514	D	98.7	Very high	98.6	Very high	75 Å²	75	43.2 Å²	43.2	40%	0.401	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	21.8	176.4	70.7	-23.2	0	0	0	114	G512 W516 K517	G512-D514 PolarHBondContact O-N 3.18Å; D514-W516 PolarHBondContact O-N 2.84Å; D514-K517 HydrophobicContact CB-CD 3.93Å; D514-K517 HydrophobicContact CB-CG 4.29Å; D514-K517 WeakPolarHBondContact O-CB 3.49Å; D514-K517 WeakPolarHBondContact O-CG 3.46Å; D514-K517 PolarHBondContact O-N 3.02Å; D514-K517 WeakPolarHBondContact OD2-CD 3.24Å; D514-K517 WeakPolarHBondContact OD2-CE 3.38Å; D514-K517 IonicContact OD2-NZ 2.87Å; D514-K517 PolarHBondContact OD2-NZ 2.96Å
515	S	98.8	Very high	98.6	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-51	-31.3	175.1	-67.6	0	0	0	0	112.6	A498 R509 E510 G512 K517 Q518	A498-S515 WeakPolarHBondContact CB-OG 3.42Å; R509-S515 WeakPolarHBondContact CB-OG 3.34Å; E510-S515 PolarHBondContact O-OG 3.08Å; G512-S515 VanDerWaalsContact O-CB 3.28Å; G512-S515 WeakPolarHBondContact O-CB 3.39Å; G512-S515 PolarHBondContact O-N 3.16Å; G512-S515 PolarHBondContact O-OG 3.48Å; S515-K517 PolarHBondContact O-N 2.94Å; S515-K517 VanDerWaalsContact O-N 3.09Å; S515-Q518 WeakPolarHBondContact O-CB 3.32Å; S515-Q518 PolarHBondContact O-N 3.06Å; S515-Q518 PolarHBondContact O-NE2 3.27Å
516	W	98.9	Very high	98.6	Very high	20 Å²	20	44.5 Å²	44.5	8%	0.076	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-52.8	-28.4	175.4	69.2	-98.1	0	0	0	114.2	L163 I167 G168 W185 I210 D514 Q518 Y519 M520	L163-W516 HydrophobicContact CD1-CG 4.43Å; L163-W516 HydrophobicContact CD2-CB 3.96Å; L163-W516 HydrophobicContact CD2-CG 4.26Å; I167-W516 HydrophobicContact CB-CD2 4.31Å; I167-W516 HydrophobicContact CB-CE3 4.1Å; I167-W516 HydrophobicContact CB-CH2 4.38Å; I167-W516 HydrophobicContact CB-CZ3 4.14Å; I167-W516 HydrophobicContact CG2-CB 4.43Å; I167-W516 HydrophobicContact CG2-CD2 3.63Å; I167-W516 HydrophobicContact CG2-CE3 3.8Å; I167-W516 HydrophobicContact CG2-CG 3.91Å; I167-W516 HydrophobicContact CG2-CZ3 4.33Å; G168-W516 WeakPolarHBondContact O-CH2 3.28Å; W185-W516 HydrophobicContact CB-CH2 4.41Å; W185-W516 HydrophobicContact CB-CZ3 4Å; W185-W516 AromaticContact CD1-CH2 3.88Å; W185-W516 AromaticContact CD2-CH2 3.92Å; W185-W516 HydrophobicContact CD2-CH2 3.92Å; W185-W516 AromaticContact CD2-CZ3 3.74Å; W185-W516 HydrophobicContact CD2-CZ3 3.74Å; W185-W516 AromaticContact CE2-CH2 3.99Å; W185-W516 HydrophobicContact CE3-CZ3 4.07Å; W185-W516 AromaticContact CG-CH2 3.82Å; W185-W516 HydrophobicContact CG-CH2 3.82Å; W185-W516 AromaticContact CG-CZ3 3.73Å; W185-W516 HydrophobicContact CG-CZ3 3.73Å; W185-W516 AromaticContact NE1-CH2 3.97Å; I210-W516 HydrophobicContact CG2-CB 3.8Å; D514-W516 PolarHBondContact O-N 2.84Å; W516-Q518 PolarHBondContact O-N 2.93Å; W516-Y519 WeakPolarHBondContact O-CB 3.2Å; W516-Y519 PolarHBondContact O-N 2.94Å; W516-M520 HydrophobicContact CE3-CG 4.26Å; W516-M520 HydrophobicContact CE3-SD 3.62Å; W516-M520 HydrophobicContact CZ3-CG 4.48Å; W516-M520 HydrophobicContact CZ3-SD 3.61Å
517	K	98.9	Very high	98.6	Very high	69 Å²	69	47.1 Å²	47.1	30%	0.3	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60.6	-28.1	178.3	-71.5	179	-177.2	162.3	0	112.6	W185 D514 S515 Y519 M520	W185-K517 HydrophobicContact CH2-CB 3.53Å; W185-K517 HydrophobicContact CH2-CD 3.76Å; W185-K517 HydrophobicContact CH2-CG 3.52Å; W185-K517 HydrophobicContact CZ2-CB 4.26Å; W185-K517 HydrophobicContact CZ2-CD 3.72Å; W185-K517 HydrophobicContact CZ2-CG 3.72Å; W185-K517 HydrophobicContact CZ3-CB 3.75Å; W185-K517 HydrophobicContact CZ3-CG 4Å; W185-K517 WeakPolarHBondContact CZ3-O 3.14Å; D514-K517 HydrophobicContact CB-CD 3.93Å; D514-K517 HydrophobicContact CB-CG 4.29Å; D514-K517 WeakPolarHBondContact O-CB 3.49Å; D514-K517 WeakPolarHBondContact O-CG 3.46Å; D514-K517 PolarHBondContact O-N 3.02Å; D514-K517 WeakPolarHBondContact OD2-CD 3.24Å; D514-K517 WeakPolarHBondContact OD2-CE 3.38Å; D514-K517 IonicContact OD2-NZ 2.87Å; D514-K517 PolarHBondContact OD2-NZ 2.96Å; S515-K517 PolarHBondContact O-N 2.94Å; S515-K517 VanDerWaalsContact O-N 3.09Å; K517-Y519 PolarHBondContact O-N 2.97Å; K517-M520 PolarHBondContact O-N 3.07Å
518	Q	98.9	Very high	98.6	Very high	56 Å²	56	49 Å²	49	26%	0.262	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-66.6	-29.3	176.4	-67.2	165	99.5	0	0	112	R509 S515 W516 M520	R509-Q518 PolarHBondContact O-NE2 3.03Å; S515-Q518 WeakPolarHBondContact O-CB 3.32Å; S515-Q518 PolarHBondContact O-N 3.06Å; S515-Q518 PolarHBondContact O-NE2 3.27Å; W516-Q518 PolarHBondContact O-N 2.93Å; Q518-M520 VanDerWaalsContact C-N 3.3Å; Q518-M520 PolarHBondContact O-N 3.1Å
519	Y	98.9	Very high	98.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-87.2	4.3	-179.9	-55.8	-94.3	0	0	0	113.1	V191 N207 I210 A211 N216 L272 L297 W516 K517	V191-Y519 HydrophobicContact CG1-CD1 4.35Å; V191-Y519 HydrophobicContact CG1-CE1 4.38Å; V191-Y519 HydrophobicContact CG2-CD1 4.32Å; N207-Y519 PolarHBondContact OD1-OH 3.19Å; I210-Y519 HydrophobicContact CB-CE2 4.36Å; I210-Y519 HydrophobicContact CG2-CD2 3.64Å; I210-Y519 HydrophobicContact CG2-CE2 3.81Å; I210-Y519 HydrophobicContact CG2-CG 4.22Å; A211-Y519 HydrophobicContact CB-CD1 3.8Å; A211-Y519 HydrophobicContact CB-CE1 4.22Å; N216-Y519 PolarHBondContact ND2-O 3.09Å; N216-Y519 PolarHBondContact OD1-O 2.77Å; L272-Y519 HydrophobicContact CD2-CD1 3.66Å; L272-Y519 HydrophobicContact CD2-CE1 4.1Å; L272-Y519 HydrophobicContact CD2-CG 4.16Å; L297-Y519 HydrophobicContact CD1-CE1 4.42Å; L297-Y519 HydrophobicContact CD1-CE2 4.11Å; L297-Y519 WeakPolarHBondContact CD1-OH 3.22Å; W516-Y519 WeakPolarHBondContact O-CB 3.2Å; W516-Y519 PolarHBondContact O-N 2.94Å; K517-Y519 PolarHBondContact O-N 2.97Å
520	M	98.9	Very high	98.4	Very high	8 Å²	8	56 Å²	56	4%	0.039	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.6	-179	-63.2	-168.7	87.9	0	0	111.2	I167 W185 N186 C214 R295 W516 K517 Q518	I167-M520 HydrophobicContact CD1-CE 4.3Å; I167-M520 HydrophobicContact CD1-SD 4.05Å; W185-M520 HydrophobicContact CB-CB 4.38Å; W185-M520 HydrophobicContact CB-CE 4.01Å; W185-M520 HydrophobicContact CB-SD 4.05Å; W185-M520 HydrophobicContact CE3-CB 3.63Å; W185-M520 HydrophobicContact CZ3-CB 4.33Å; W185-M520 WeakPolarHBondContact O-CE 3.26Å; N186-M520 CarbonylContact O-C 3.57Å; N186-M520 VanDerWaalsContact O-CA 3.23Å; N186-M520 WeakPolarHBondContact O-CA 3.23Å; N186-M520 WeakPolarHBondContact O-CB 3.33Å; C214-M520 HydrophobicContact CB-CG 3.62Å; C214-M520 HydrophobicContact CB-SD 3.94Å; R295-M520 PolarHBondContact NH1-O 2.88Å; W516-M520 HydrophobicContact CE3-CG 4.26Å; W516-M520 HydrophobicContact CE3-SD 3.62Å; W516-M520 HydrophobicContact CZ3-CG 4.48Å; W516-M520 HydrophobicContact CZ3-SD 3.61Å; K517-M520 PolarHBondContact O-N 3.07Å; Q518-M520 VanDerWaalsContact C-N 3.3Å; Q518-M520 PolarHBondContact O-N 3.1Å
521	R	98.8	Very high	98.3	Very high	112 Å²	112	65.8 Å²	65.8	42%	0.423	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.9	171.7	62	176.9	179.3	75.2	2.1	110.3	W185 N186	W185-R521 WeakPolarHBondContact CA-O 3.48Å; N186-R521 HydrophobicContact CB-CG 4.16Å; N186-R521 PolarHBondContact N-O 2.96Å; N186-R521 VanDerWaalsContact N-O 3.09Å; N186-R521 WeakPolarHBondContact O-CG 3.38Å; N186-R521 PolarHBondContact O-N 3.49Å
522	R	98.8	Very high	98.1	Very high	147 Å²	147	70.8 Å²	70.8	56%	0.555	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.9	142.1	173.1	-177	173.7	47.2	-111.5	-2.2	110.8	E183 Q184 W185	E183-R522 HydrophobicContact CG-CG 3.64Å; E183-R522 WeakPolarHBondContact OE2-CD 3.5Å; Q184-R522 CarbonylContact O-C 3.56Å; Q184-R522 WeakPolarHBondContact O-CA 3.46Å; W185-R522 HydrophobicContact CD2-CB 4.2Å; W185-R522 HydrophobicContact CE3-CB 4.01Å; W185-R522 HydrophobicContact CH2-CB 3.74Å; W185-R522 HydrophobicContact CH2-CG 4.37Å; W185-R522 HydrophobicContact CZ2-CB 3.86Å; W185-R522 HydrophobicContact CZ2-CG 4.01Å; W185-R522 HydrophobicContact CZ3-CB 3.79Å
523	S	98.7	Very high	97.8	Very high	35 Å²	35	78.3 Å²	78.3	25%	0.245	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	132.1	168.6	52.9	0	0	0	0	110.9	Q184	Q184-S523 WeakPolarHBondContact CB-OG 3.17Å; Q184-S523 PolarHBondContact N-O 3.32Å; Q184-S523 PolarHBondContact O-N 3.1Å; Q184-S523 PolarHBondContact O-OG 2.74Å
524	T	98.7	Very high	97.4	Very high	103 Å²	103	80.7 Å²	80.7	63%	0.632	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	112.9	171.7	-54.7	0	0	0	0	108.9	L181	L181-T524 HydrophobicContact CD1-CG2 3.56Å
525	C	98.6	Very high	96.6	Very high	39 Å²	39	84.5 Å²	84.5	26%	0.264	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.2	-174.7	-55.2	0	0	0	0	109.6	L181 L182	L181-C525 WeakPolarHBondContact CA-O 3.45Å; L182-C525 HydrophobicContact CB-CB 4.31Å; L182-C525 PolarHBondContact N-O 3.44Å; L182-C525 PolarHBondContact O-N 2.66Å
526	T	98.5	Very high	95.9	Very high	82 Å²	82	86.5 Å²	86.5	50%	0.503	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.4	169.9	-58.2	0	0	0	0	108.8	H179 A180 L181	H179-T526 HydrophobicContact CB-CG2 4.46Å; A180-T526 CarbonylContact O-C 3.56Å; A180-T526 WeakPolarHBondContact O-CA 3.43Å; L181-T526 WeakPolarHBondContact CD1-OG1 3.46Å
527	I	98.4	Very high	95.3	Very high	85 Å²	85	94 Å²	94	44%	0.436	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	110.8	-178.4	-54.8	172.7	0	0	0	108.1	H179 A180 L182 Y529	H179-I527 CarbonylContact C-O 3.53Å; H179-I527 VanDerWaalsContact CA-O 3.26Å; H179-I527 WeakPolarHBondContact CA-O 3.44Å; A180-I527 HydrophobicContact CB-CB 4.43Å; A180-I527 PolarHBondContact N-O 3.49Å; A180-I527 PolarHBondContact O-N 3.34Å; L182-I527 HydrophobicContact CD1-CD1 3.81Å; I527-Y529 PolarHBondContact O-N 2.69Å
528	N	98	Very high	94.6	Very high	76 Å²	76	94.9 Å²	94.9	41%	0.406	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	115.2	166.8	-176.2	9.5	0	0	0	108.6	G178 H179 S530	G178-N528 PolarHBondContact O-OD1 3.44Å; H179-N528 PolarHBondContact CE1-OD1 2.84Å; H179-N528 WeakPolarHBondContact NE2-CB 3.19Å; N528-S530 WeakPolarHBondContact OD1-CB 3.36Å; N528-S530 PolarHBondContact OD1-N 3.4Å; N528-S530 PolarHBondContact OD1-OG 3.05Å
529	Y	97.3	Very high	93.7	Very high	162 Å²	162	97.2 Å²	97.2	64%	0.635	52%	0.518	S	S	*	.			trans	-109.8	6.5	174	59.1	-99	0	0	0	112.2	G178 H179 A180 I527	G178-Y529 VanDerWaalsContact C-CE1 3.43Å; G178-Y529 VanDerWaalsContact O-CD1 3.28Å; G178-Y529 WeakPolarHBondContact O-CD1 3.36Å; G178-Y529 WeakPolarHBondContact O-CE1 3.42Å; G178-Y529 PolarHBondContact O-N 2.96Å; H179-Y529 VanDerWaalsContact C-CE1 3.45Å; A180-Y529 HydrophobicContact CB-CD1 4.41Å; A180-Y529 HydrophobicContact CB-CE1 4.17Å; I527-Y529 PolarHBondContact O-N 2.69Å
530	S	97.6	Very high	92.9	Very high	32 Å²	32	107 Å²	107	22%	0.224	56%	0.56	C	S	.	*	S	Bend	trans	-82	173.5	174.4	78.3	0	0	0	0	112	G178 N528 D532	G178-S530 PolarHBondContact O-N 3.09Å; N528-S530 WeakPolarHBondContact OD1-CB 3.36Å; N528-S530 PolarHBondContact OD1-N 3.4Å; N528-S530 PolarHBondContact OD1-OG 3.05Å; S530-D532 WeakPolarHBondContact OG-CB 3.29Å; S530-D532 PolarHBondContact OG-N 2.69Å; S530-D532 VanDerWaalsContact OG-N 3.09Å
531	K	96.3	Very high	92	Very high	206 Å²	206	114 Å²	114	90%	0.896	59%	0.591	S	S	*	*			trans	-99.1	8.9	166.7	-61.7	-179.5	-178.8	178.3	0	111.8
532	D	94.3	Very high	90.8	Very high	108 Å²	108	121.7 Å²	121.7	58%	0.578	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-72.6	132.2	-174.5	-61.1	-30	0	0	0	110.1	S530	S530-D532 WeakPolarHBondContact OG-CB 3.29Å; S530-D532 PolarHBondContact OG-N 2.69Å; S530-D532 VanDerWaalsContact OG-N 3.09Å
533	L	89.4	Confident	90.4	Very high	159 Å²	159	120.4 Å²	120.4	83%	0.832	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-89.5	146.8	175.9	-64	176.6	0	0	0	110.1
534	P	90.7	Very high	90	Very high	117 Å²	117	124.9 Å²	124.9	76%	0.76	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-61.1	155	168.7	28.5	-34	0	0	0	110.1	A536	P534-A536 PolarHBondContact O-N 2.7Å
535	L	81.1	Confident	89.5	Confident	156 Å²	156	126.1 Å²	126.1	82%	0.817	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-57.8	131.9	174.5	-69.2	171.4	0	0	0	110.2	Q537	L535-Q537 HydrophobicContact CB-CG 4.35Å; L535-Q537 PolarHBondContact O-N 2.9Å
536	A	83.7	Confident	89	Confident	45 Å²	45	131.2 Å²	131.2	37%	0.372	68%	0.68	S	S	.	*			trans	-71.2	-10.9	-176.5	0	0	0	0	0	114	P534 G538 I539 F541	P534-A536 PolarHBondContact O-N 2.7Å; A536-G538 PolarHBondContact O-N 2.94Å; A536-I539 VanDerWaalsContact CB-O 3.29Å; A536-I539 WeakPolarHBondContact CB-O 3.38Å; A536-I539 WeakPolarHBondContact O-CB 3.48Å; A536-I539 PolarHBondContact O-N 2.98Å; A536-F541 HydrophobicContact CB-CD2 4.02Å; A536-F541 HydrophobicContact CB-CE2 4.05Å
537	Q	86.4	Confident	88.4	Confident	178 Å²	178	134.3 Å²	134.3	83%	0.832	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	47.8	37.9	175	-65.2	-176	-14	0	0	114.5	L535	L535-Q537 HydrophobicContact CB-CG 4.35Å; L535-Q537 PolarHBondContact O-N 2.9Å
538	G	84	Confident	87.7	Confident	86 Å²	86	137.6 Å²	137.6	89%	0.887	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.3	-3.2	178.6	0	0	0	0	0	115.4	A536	A536-G538 PolarHBondContact O-N 2.94Å
539	I	80	Confident	87	Confident	105 Å²	105	142 Å²	142	54%	0.538	73%	0.73	S	S	.	*			trans	-91.6	143	175.2	-56.5	171.9	0	0	0	109.3	A536 F541	A536-I539 VanDerWaalsContact CB-O 3.29Å; A536-I539 WeakPolarHBondContact CB-O 3.38Å; A536-I539 WeakPolarHBondContact O-CB 3.48Å; A536-I539 PolarHBondContact O-N 2.98Å; I539-F541 HydrophobicContact CB-CD2 4.49Å; I539-F541 HydrophobicContact CB-CE2 3.72Å; I539-F541 HydrophobicContact CB-CZ 3.81Å; I539-F541 HydrophobicContact CD1-CZ 4.28Å; I539-F541 HydrophobicContact CG2-CD1 4.41Å; I539-F541 HydrophobicContact CG2-CD2 4.31Å; I539-F541 HydrophobicContact CG2-CE1 3.86Å; I539-F541 HydrophobicContact CG2-CE2 3.74Å; I539-F541 HydrophobicContact CG2-CZ 3.49Å; I539-F541 VanDerWaalsContact CG2-CZ 3.49Å
540	K	83.5	Confident	86.2	Confident	206 Å²	206	140.5 Å²	140.5	90%	0.896	74%	0.737	S	S	*	*			trans	-95.2	122.7	172.1	-68.3	-176.2	179.7	-178.1	0	109.2
541	F	80.3	Confident	85.2	Confident	154 Å²	154	149.5 Å²	149.5	68%	0.675	78%	0.78	S	S	*	*			trans	-109.5	134.1	171.5	-58	-81.6	0	0	0	107.6	A536 I539	A536-F541 HydrophobicContact CB-CD2 4.02Å; A536-F541 HydrophobicContact CB-CE2 4.05Å; I539-F541 HydrophobicContact CB-CD2 4.49Å; I539-F541 HydrophobicContact CB-CE2 3.72Å; I539-F541 HydrophobicContact CB-CZ 3.81Å; I539-F541 HydrophobicContact CD1-CZ 4.28Å; I539-F541 HydrophobicContact CG2-CD1 4.41Å; I539-F541 HydrophobicContact CG2-CD2 4.31Å; I539-F541 HydrophobicContact CG2-CE1 3.86Å; I539-F541 HydrophobicContact CG2-CE2 3.74Å; I539-F541 HydrophobicContact CG2-CZ 3.49Å; I539-F541 VanDerWaalsContact CG2-CZ 3.49Å
542	E	72.9	Confident	84.2	Confident	274 Å²	274	144.4 Å²	144.4	100%	1.28	77%	0.77	S	S	*	*			trans	-73.4	0	178.9	-70	-175.2	172.8	0	0	112.9

Retrieved 542 of 542 residues in 543.6 ms (Link to these results)

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