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Dihydrolipoyl dehydrogenase, mitochondrial

Lipoamide dehydrogenase is a component of the glycine cleavage system as well as an E3 component of three alpha-ketoacid dehydrogenase complexes (pyruvate-, alpha-ketoglutarate-, and branched-chain amino acid-dehydrogenase complex)^1,2,3,4,5,6. The 2-oxoglutarate dehydrogenase complex is mainly active in the mitochondrion⁷. A fraction of the 2-oxoglutarate dehydrogenase complex also localizes in the nucleus and is required for lysine succinylation of histones: associates with KAT2A on chromatin and provides succinyl-CoA to histone succinyltransferase KAT2A⁸. In monomeric form may have additional moonlighting function as serine protease⁹. Involved in the hyperactivation of spermatazoa during capacitation and in the spermatazoal acrosome reaction (By similarity). The pyruvate dehydrogenase (PDH) complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links cytoplasmic glycolysis and the mitochondrial tricarboxylic acid (TCA) cycle (Probable). It contains multiple copies of three enzymatic components: pyruvate dehydrogenase (E1), dihydrolipoamide acetyltransferase (E2) and dihydrolipoamide dehydrogenase (E3) (Probable). The E3 subunit catalyzes reoxidation of the dihydrolipoyl moiety on lipoyl-bearing domains (LBDs) of E2 with NAD+ as the ultimate electron acceptor^10,11,12,13.

AlphaFold DB , UniProt , Accession P09622, Species HUMAN (Homo sapiens, Human), Gene DLD, Length 509 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.3	Very low	35.8	Very low	242 Å²	242	164.7 Å²	164.7	100%	1.192	83%	0.828	S	S	*	*				0	116.6	0	-80.3	171.8	179.1	0	0	107.7
2	Q	33.8	Very low	35.7	Very low	193 Å²	193	158.4 Å²	158.4	90%	0.902	82%	0.82	S	S	*	*			trans	47	129.4	162.7	-64.8	177.5	-7.4	0	0	118.4
3	S	36.7	Very low	36	Very low	86 Å²	86	162.9 Å²	162.9	60%	0.601	83%	0.83	S	S	*	*			cis	175.6	159.5	9.4	48	0	0	0	0	111.1
4	W	36.2	Very low	35.9	Very low	230 Å²	230	169.6 Å²	169.6	87%	0.871	84%	0.84	S	S	*	*			trans	97.3	106.4	154.1	-58.7	105.7	0	0	0	120.6
5	S	33.3	Very low	36.3	Very low	96 Å²	96	163.9 Å²	163.9	67%	0.671	84%	0.841	S	S	*	*			trans	-104.5	161.6	171	50.6	0	0	0	0	111.4
6	R	40.3	Very low	36.4	Very low	222 Å²	222	165 Å²	165	84%	0.838	84%	0.841	S	S	*	*			trans	164.1	104.5	141.4	-91.3	169.1	-170.5	-146.4	3.3	108.7
7	V	37.3	Very low	36.3	Very low	119 Å²	119	165.6 Å²	165.6	72%	0.721	84%	0.837	S	S	*	*				69	117.1	75.5	178.5	0	0	0	0	113.7
8	Y	38	Very low	36.3	Very low	232 Å²	232	164.7 Å²	164.7	91%	0.91	83%	0.834	S	S	*	*				-167.7	136.1	121.5	-108.1	-77.1	0	0	0	112.2
9	C	32.2	Very low	36.2	Very low	112 Å²	112	168.2 Å²	168.2	76%	0.757	84%	0.836	S	S	*	*			trans	-134.4	142	-177.8	-165.7	0	0	0	0	110.1
10	S	33.4	Very low	36.4	Very low	102 Å²	102	168.3 Å²	168.3	71%	0.713	84%	0.838	S	S	*	*			trans	56.8	139.4	155.1	89.4	0	0	0	0	122.4
11	L	36.9	Very low	36.3	Very low	178 Å²	178	164.5 Å²	164.5	93%	0.932	83%	0.828	S	S	*	*				-171.8	139.4	123.8	-99	161.6	0	0	0	112.1
12	A	34.1	Very low	36.3	Very low	89 Å²	89	162.1 Å²	162.1	74%	0.736	81%	0.813	S	S	*	*			trans	-93.5	165.7	-176.3	0	0	0	0	0	113.7
13	K	39.2	Very low	36.4	Very low	217 Å²	217	156 Å²	156	94%	0.943	80%	0.803	S	S	*	*			trans	-177.1	147.2	132.4	-101.5	169.3	-173.5	-176.4	0	114.6
14	R	35.2	Very low	36.5	Very low	257 Å²	257	159.9 Å²	159.9	97%	0.97	82%	0.816	S	S	*	*			trans	-78.6	163	-176.8	-67.7	169.8	168.2	175.3	-5.3	114.2
15	G	42	Very low	36.4	Very low	83 Å²	83	158 Å²	158	86%	0.856	82%	0.817	S	S	*	*			trans	-177.3	129.9	157	0	0	0	0	0	114.3
16	H	37.4	Very low	36.5	Very low	182 Å²	182	157 Å²	157	84%	0.843	82%	0.822	S	S	*	*			trans	-91.9	158	-170.9	-100.7	-26	0	0	0	115.3
17	F	34.7	Very low	36.5	Very low	175 Å²	175	154.8 Å²	154.8	77%	0.768	83%	0.826	S	S	*	*			trans	29.6	122.4	146.5	-89.3	-96.1	0	0	0	120.9
18	N	36.9	Very low	36.5	Very low	149 Å²	149	154 Å²	154	80%	0.797	83%	0.825	S	S	*	*				176.1	152.8	97.4	-112.9	-23.1	0	0	0	113.5
19	R	34	Very low	36.7	Very low	231 Å²	231	147.8 Å²	147.8	87%	0.872	82%	0.822	S	S	*	*			trans	-58.2	145.5	172.2	-72.3	173.4	167.4	-179.9	-4.4	112.2
20	I	39.9	Very low	37.2	Very low	171 Å²	171	147.9 Å²	147.9	88%	0.877	82%	0.819	S	S	*	*			trans	-169.6	146.5	130.9	-88.8	146.7	0	0	0	109
21	S	35	Very low	37.6	Very low	89 Å²	89	147.9 Å²	147.9	62%	0.622	82%	0.816	S	S	*	*			trans	-78.9	159.3	-167.8	47.6	0	0	0	0	117.1
22	H	37	Very low	37.7	Very low	191 Å²	191	147 Å²	147	88%	0.884	81%	0.812	S	S	*	*			trans	73.1	120.4	148.9	-72	-43.8	0	0	0	121
23	G	35.1	Very low	37.9	Very low	66 Å²	66	153.1 Å²	153.1	68%	0.68	82%	0.816	S	S	*	*			trans	115.3	99.5	133.6	0	0	0	0	0	115
24	L	37.7	Very low	38.4	Very low	167 Å²	167	148.4 Å²	148.4	87%	0.874	81%	0.805	S	S	*	*			trans	162.9	88.4	149.1	-90.6	148.7	0	0	0	107.1
25	Q	35.5	Very low	39.1	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.883	80%	0.8	S	S	*	*				46.3	110.9	93.5	-76.1	-171.5	-13	0	0	114.2
26	G	34.8	Very low	39.8	Very low	76 Å²	76	145.7 Å²	145.7	78%	0.784	78%	0.784	S	S	*	*			trans	97.1	62.9	142.7	0	0	0	0	0	117
27	L	39.9	Very low	41.6	Very low	176 Å²	176	140.1 Å²	140.1	92%	0.921	76%	0.761	S	S	*	*			trans	-133.9	121	155.3	-83.8	165.1	0	0	0	109.8	A29	L27-A29 PolarHBondContact O-N 3.3Å
28	S	36.8	Very low	44.1	Very low	102 Å²	102	139.6 Å²	139.6	71%	0.713	76%	0.761	S	S	*	*			trans	-49	119.3	-178.5	50.2	0	0	0	0	113.2	V30	S28-V30 PolarHBondContact O-N 2.78Å; S28-V30 VanDerWaalsContact O-N 3.09Å
29	A	42.1	Very low	46.8	Very low	102 Å²	102	135.9 Å²	135.9	84%	0.843	75%	0.745	S	S	*	*			trans	-73.6	92.7	160.9	0	0	0	0	0	108.5	L27	L27-A29 PolarHBondContact O-N 3.3Å
30	V	42.7	Very low	49.9	Very low	114 Å²	114	126.4 Å²	126.4	69%	0.691	71%	0.711	S	S	*	*			trans	-69.3	121.7	161.8	178.6	0	0	0	0	106.1	S28 L32	S28-V30 PolarHBondContact O-N 2.78Å; S28-V30 VanDerWaalsContact O-N 3.09Å; V30-L32 PolarHBondContact O-N 3.44Å; V30-L32 VanDerWaalsContact O-N 3.12Å
31	P	41.9	Very low	52.7	Low	101 Å²	101	123.7 Å²	123.7	66%	0.656	70%	0.699	S	S	*	*			trans	-65.6	117.8	170.6	27.5	-29.1	0	0	0	106.5	R33	P31-R33 PolarHBondContact O-N 3.12Å
32	L	40.2	Very low	55.7	Low	160 Å²	160	119.9 Å²	119.9	84%	0.838	67%	0.672	S	S	*	*			trans	-60.8	91.9	160.7	-108.6	104.9	0	0	0	106.3	V30 T34	V30-L32 PolarHBondContact O-N 3.44Å; V30-L32 VanDerWaalsContact O-N 3.12Å; L32-T34 PolarHBondContact O-N 3.12Å
33	R	38.4	Very low	58.6	Low	218 Å²	218	112.4 Å²	112.4	82%	0.823	64%	0.639	S	S	*	*			trans	-67.3	91.5	160.2	-88.5	-176.1	173.2	-178	-1.9	105.9	P31 Y35	P31-R33 PolarHBondContact O-N 3.12Å; R33-Y35 PolarHBondContact O-N 2.97Å; R33-Y35 VanDerWaalsContact O-N 3.13Å
34	T	48.7	Very low	61.7	Low	117 Å²	117	109.3 Å²	109.3	72%	0.718	61%	0.607	S	S	*	*			trans	-58.4	112	157	46.2	0	0	0	0	106.2	L32 A36	L32-T34 PolarHBondContact O-N 3.12Å; T34-A36 PolarHBondContact O-N 2.91Å
35	Y	50.1	Low	64.6	Low	219 Å²	219	101.3 Å²	101.3	86%	0.859	57%	0.565	S	S	*	*			trans	-59.4	101.5	173.1	-81.5	-95.7	0	0	0	107.5	R33 D37	R33-Y35 PolarHBondContact O-N 2.97Å; R33-Y35 VanDerWaalsContact O-N 3.13Å; Y35-D37 PolarHBondContact O-N 3.34Å
36	A	57.2	Low	67.6	Low	64 Å²	64	92.3 Å²	92.3	53%	0.529	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-65.1	128	163.8	0	0	0	0	0	107.1	T34	T34-A36 PolarHBondContact O-N 2.91Å
37	D	74.4	Confident	70.7	Confident	66 Å²	66	89 Å²	89	35%	0.353	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	143.8	172.3	-77.9	-37.2	0	0	0	108.6	Y35 K166 T171	Y35-D37 PolarHBondContact O-N 3.34Å; D37-K166 IonicContact OD2-NZ 2.69Å; D37-K166 PolarHBondContact OD2-NZ 2.95Å; D37-T171 PolarHBondContact N-O 2.83Å
38	Q	88.4	Confident	73.5	Confident	164 Å²	164	81.1 Å²	81.1	77%	0.766	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	138.7	179.3	-71.8	-68.8	-21.7	0	0	110.3	Q172	Q38-Q172 PolarHBondContact O-NE2 3.25Å
39	P	93.9	Very high	76.4	Confident	70 Å²	70	76.2 Å²	76.2	46%	0.455	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	147.1	179.5	-24.2	33.4	0	0	0	112.7	V173	P39-V173 WeakPolarHBondContact CA-O 3.32Å
40	I	97.8	Very high	79.1	Confident	33 Å²	33	72.1 Å²	72.1	17%	0.169	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125	172.6	-63.9	168.4	0	0	0	108.6	V68 V148 V150 Q172 V173 I174 D175	I40-V68 HydrophobicContact CG2-CG2 3.87Å; I40-V148 HydrophobicContact CD1-CG1 4.48Å; I40-V150 HydrophobicContact CD1-CG2 4.18Å; I40-Q172 HydrophobicContact CD1-CG 3.88Å; I40-V173 PolarHBondContact N-O 3.09Å; I40-I174 HydrophobicContact CB-CG1 4.41Å; I40-I174 HydrophobicContact CB-CG2 4.48Å; I40-I174 CarbonylContact O-C 3.25Å; I40-I174 VanDerWaalsContact O-CA 3.26Å; I40-I174 WeakPolarHBondContact O-CA 3.24Å; I40-I174 WeakPolarHBondContact O-CG2 3.49Å; I40-D175 PolarHBondContact O-N 3.14Å
41	D	98.4	Very high	81.8	Confident	114 Å²	114	67.4 Å²	67.4	61%	0.61	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.9	168.8	-64.5	-65.2	0	0	0	111.4	K66 D175	D41-K66 WeakPolarHBondContact O-CD 3.39Å; D41-K66 WeakPolarHBondContact O-CE 3.08Å; D41-K66 PolarHBondContact O-NZ 3.03Å; D41-D175 CarbonylContact C-O 3.58Å; D41-D175 WeakPolarHBondContact CA-O 3.45Å
42	A	98.7	Very high	84.5	Confident	8 Å²	8	62.8 Å²	62.8	7%	0.066	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.2	178.8	0	0	0	0	0	113	V68 I174 D175 T176 K177	A42-V68 HydrophobicContact CB-CB 4.38Å; A42-V68 HydrophobicContact CB-CG2 3.68Å; A42-I174 HydrophobicContact CB-CG2 4.02Å; A42-D175 PolarHBondContact N-O 3.03Å; A42-T176 WeakPolarHBondContact O-CA 3.46Å; A42-T176 PolarHBondContact O-OG1 2.9Å; A42-K177 PolarHBondContact O-N 3.44Å; A42-K177 VanDerWaalsContact O-N 3.09Å
43	D	98.8	Very high	87.3	Confident	35 Å²	35	55.2 Å²	55.2	19%	0.187	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-38.7	171	-62.8	-58.9	0	0	0	111.6	F65 K66 K177 N178	D43-F65 HydrophobicContact CB-CB 3.92Å; D43-F65 HydrophobicContact CB-CD1 3.67Å; D43-F65 HydrophobicContact CB-CG 4.22Å; D43-K66 PolarHBondContact N-O 3.37Å; D43-K66 WeakPolarHBondContact OD2-CB 3.46Å; D43-K66 PolarHBondContact OD2-N 3.18Å; D43-K177 WeakPolarHBondContact O-CB 3.43Å; D43-K177 WeakPolarHBondContact OD1-CD 3.41Å; D43-K177 WeakPolarHBondContact OD1-CE 3.35Å; D43-K177 IonicContact OD1-NZ 2.93Å; D43-K177 PolarHBondContact OD1-NZ 2.89Å; D43-N178 PolarHBondContact O-N 3.5Å; D43-N178 PolarHBondContact O-ND2 3.41Å
44	V	98.9	Very high	90.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.4	179	-178.4	0	0	0	0	109.7	V46 F65 K66 T67 V68 N178 M377	V44-V46 HydrophobicContact CG1-CG2 4.15Å; V44-F65 HydrophobicContact CG2-CB 3.95Å; V44-F65 HydrophobicContact CG2-CD1 4.26Å; V44-F65 HydrophobicContact CG2-CD2 3.99Å; V44-F65 HydrophobicContact CG2-CG 3.82Å; V44-K66 PolarHBondContact N-O 3.29Å; V44-T67 HydrophobicContact CB-CG2 4.46Å; V44-T67 WeakPolarHBondContact O-CA 3.41Å; V44-V68 PolarHBondContact O-N 3.06Å; V44-N178 WeakPolarHBondContact CA-O 2.88Å; V44-N178 HydrophobicContact CG2-CB 4.38Å; V44-M377 HydrophobicContact CG1-SD 4.38Å; V44-M377 HydrophobicContact CG2-SD 4.07Å
45	T	98.9	Very high	92.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.1	171	-57.4	0	0	0	0	110.2	V68 I70 V162 I174 T176 N178 I179 L180	T45-V68 CarbonylContact C-O 3.58Å; T45-V68 WeakPolarHBondContact CA-O 3.4Å; T45-V68 HydrophobicContact CG2-CB 4.43Å; T45-I70 HydrophobicContact CG2-CD1 3.61Å; T45-I70 HydrophobicContact CG2-CG1 4.22Å; T45-V162 HydrophobicContact CG2-CB 4.29Å; T45-V162 HydrophobicContact CG2-CG2 4.11Å; T45-I174 HydrophobicContact CG2-CG2 4.31Å; T45-I174 WeakPolarHBondContact OG1-CG2 3.49Å; T45-T176 PolarHBondContact N-OG1 3.49Å; T45-T176 WeakPolarHBondContact OG1-CB 3.42Å; T45-T176 WeakPolarHBondContact OG1-CG2 3.37Å; T45-T176 PolarHBondContact OG1-OG1 2.84Å; T45-N178 PolarHBondContact N-O 2.97Å; T45-I179 WeakPolarHBondContact O-CA 3.43Å; T45-L180 PolarHBondContact O-N 2.95Å
46	V	99	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.7	177.2	-171.4	0	0	0	0	109.8	V44 A57 T67 V68 C69 I70 L180 A182	V44-V46 HydrophobicContact CG1-CG2 4.15Å; V46-A57 HydrophobicContact CG2-CB 3.99Å; V46-T67 HydrophobicContact CG2-CG2 4.41Å; V46-V68 PolarHBondContact N-O 2.97Å; V46-C69 CarbonylContact O-C 3.54Å; V46-C69 WeakPolarHBondContact O-CA 3.07Å; V46-I70 PolarHBondContact O-N 3.21Å; V46-L180 CarbonylContact C-O 3.57Å; V46-L180 WeakPolarHBondContact CA-O 3.49Å; V46-L180 HydrophobicContact CG1-CB 4.47Å; V46-L180 HydrophobicContact CG1-CD2 4.3Å; V46-L180 HydrophobicContact CG1-CG 4.38Å; V46-L180 HydrophobicContact CG2-CB 4.24Å; V46-L180 HydrophobicContact CG2-CD2 4.13Å; V46-A182 HydrophobicContact CG1-CB 4.18Å
47	I	98.9	Very high	96.9	Very high	7 Å²	7	29 Å²	29	4%	0.036	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.1	176.7	-50.5	176.1	0	0	0	109.1	I70 I156 V162 I179 L180 A182 T183 L322	I47-I70 HydrophobicContact CG1-CD1 4.48Å; I47-I156 HydrophobicContact CD1-CD1 4.32Å; I47-I156 HydrophobicContact CD1-CG1 3.75Å; I47-V162 HydrophobicContact CD1-CG1 3.78Å; I47-V162 HydrophobicContact CD1-CG2 4.12Å; I47-V162 HydrophobicContact CG1-CG1 4.27Å; I47-I179 HydrophobicContact CD1-CG2 3.98Å; I47-I179 HydrophobicContact CG1-CG2 4.45Å; I47-L180 PolarHBondContact N-O 3.37Å; I47-A182 CarbonylContact O-C 3.52Å; I47-A182 WeakPolarHBondContact O-CA 3.27Å; I47-A182 PolarHBondContact O-N 2.88Å; I47-T183 HydrophobicContact CB-CG2 4.42Å; I47-T183 HydrophobicContact CG2-CG2 3.86Å; I47-T183 PolarHBondContact O-N 3.48Å; I47-L322 HydrophobicContact CD1-CD1 3.93Å; I47-L322 HydrophobicContact CG2-CD1 4.03Å
48	G	98.8	Very high	98	Very high	9 Å²	9	26.7 Å²	26.7	9%	0.093	15%	0.148	C	C	.	.			trans	107.2	135.3	-176.2	0	0	0	0	0	112.2	G53 I70	G48-G53 WeakPolarHBondContact O-CA 3.23Å; G48-I70 WeakPolarHBondContact CA-O 3.44Å; G48-I70 PolarHBondContact N-O 3.15Å
49	S	98.8	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.			trans	-110.7	24.4	-177.6	72.7	0	0	0	0	114	E71 L76 G77 G78	S49-E71 WeakPolarHBondContact CB-OE2 3.38Å; S49-E71 PolarHBondContact N-OE2 3.44Å; S49-E71 VanDerWaalsContact OG-CD 3.28Å; S49-E71 VanDerWaalsContact OG-CG 3.27Å; S49-E71 WeakPolarHBondContact OG-CG 3.48Å; S49-E71 PolarHBondContact OG-OE2 3.33Å; S49-L76 VanDerWaalsContact OG-CA 3.3Å; S49-L76 WeakPolarHBondContact OG-CA 3.43Å; S49-G77 CarbonylContact O-C 3.48Å; S49-G77 VanDerWaalsContact O-C 3.25Å; S49-G77 WeakPolarHBondContact O-CA 3.34Å; S49-G77 PolarHBondContact O-N 3.12Å; S49-G77 PolarHBondContact OG-N 3.31Å; S49-G78 PolarHBondContact O-N 3.41Å
50	G	98.7	Very high	98.8	Very high	15 Å²	15	18 Å²	18	16%	0.155	10%	0.1	C	C	.	.	S	Bend	trans	-64.3	178.2	168.8	0	0	0	0	0	112.6	G52 G53 Y54	G50-G52 PolarHBondContact O-N 3.27Å; G50-G53 PolarHBondContact O-N 3.23Å; G50-Y54 WeakPolarHBondContact O-CD1 3.34Å; G50-Y54 PolarHBondContact O-N 3.23Å
51	P	98.7	Very high	98.8	Very high	16 Å²	16	17.4 Å²	17.4	10%	0.104	10%	0.1	C	C	.	.	H	α-helix	trans	-40.8	-57.6	-179.8	-31.1	35.9	0	0	0	114.2	G53 Y54 V55 C80 A363 E367	P51-G53 PolarHBondContact O-N 2.92Å; P51-Y54 VanDerWaalsContact CA-CE1 3.45Å; P51-Y54 HydrophobicContact CB-CE1 4.43Å; P51-V55 WeakPolarHBondContact O-CB 3.11Å; P51-V55 VanDerWaalsContact O-CG2 3.29Å; P51-V55 WeakPolarHBondContact O-CG2 3.35Å; P51-V55 PolarHBondContact O-N 2.84Å; P51-C80 HydrophobicContact CG-CB 3.43Å; P51-C80 VanDerWaalsContact CG-CB 3.43Å; P51-A363 HydrophobicContact CB-CB 4.12Å; P51-A363 HydrophobicContact CG-CB 3.9Å; P51-E367 HydrophobicContact CB-CG 3.62Å
52	G	98.7	Very high	98.8	Very high	4 Å²	4	17.6 Å²	17.6	4%	0.041	10%	0.097	C	C	.	.	H	α-helix	trans	-62.5	-39.6	177.7	0	0	0	0	0	114.8	G50 A56 I353 A366	G50-G52 PolarHBondContact O-N 3.27Å; G52-A56 WeakPolarHBondContact O-CB 3.42Å; G52-A56 PolarHBondContact O-N 2.96Å; G52-I353 WeakPolarHBondContact O-CD1 3.46Å; G52-A366 VanDerWaalsContact CA-C 3.41Å; G52-A366 WeakPolarHBondContact CA-O 3.39Å
53	G	98.8	Very high	98.8	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-72.5	-47.7	-175.5	0	0	0	0	0	113.8	G48 G50 P51 A57	G48-G53 WeakPolarHBondContact O-CA 3.23Å; G50-G53 PolarHBondContact O-N 3.23Å; P51-G53 PolarHBondContact O-N 2.92Å; G53-A57 WeakPolarHBondContact O-CB 3.21Å; G53-A57 PolarHBondContact O-N 3.1Å
54	Y	98.8	Very high	98.8	Very high	42 Å²	42	21.9 Å²	21.9	17%	0.165	13%	0.134	C	C	.	.	H	α-helix	trans	-70.7	-36.9	-178.8	84.8	-105.3	0	0	0	111.6	G50 P51 A57 I58 I138 E367	G50-Y54 WeakPolarHBondContact O-CD1 3.34Å; G50-Y54 PolarHBondContact O-N 3.23Å; P51-Y54 VanDerWaalsContact CA-CE1 3.45Å; P51-Y54 HydrophobicContact CB-CE1 4.43Å; Y54-A57 PolarHBondContact O-N 3.08Å; Y54-I58 HydrophobicContact CD2-CD1 3.99Å; Y54-I58 WeakPolarHBondContact O-CG1 3.38Å; Y54-I58 PolarHBondContact O-N 2.9Å; Y54-I58 VanDerWaalsContact O-N 3.09Å; Y54-I138 HydrophobicContact CD1-CD1 3.79Å; Y54-I138 HydrophobicContact CD2-CD1 4.25Å; Y54-I138 HydrophobicContact CD2-CG1 4.38Å; Y54-I138 HydrophobicContact CD2-CG2 4.09Å; Y54-I138 HydrophobicContact CE1-CD1 3.81Å; Y54-I138 HydrophobicContact CE2-CD1 4.3Å; Y54-I138 HydrophobicContact CE2-CG1 4.41Å; Y54-I138 HydrophobicContact CG-CD1 4.06Å; Y54-I138 HydrophobicContact CG-CG2 4.06Å; Y54-E367 PolarHBondContact OH-OE1 2.69Å
55	V	98.9	Very high	98.8	Very high	25 Å²	25	24 Å²	24	15%	0.152	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-45.1	175.4	174.4	0	0	0	0	110.7	P51 A57 I58 K59 E367 I371	P51-V55 WeakPolarHBondContact O-CB 3.11Å; P51-V55 VanDerWaalsContact O-CG2 3.29Å; P51-V55 WeakPolarHBondContact O-CG2 3.35Å; P51-V55 PolarHBondContact O-N 2.84Å; V55-A57 VanDerWaalsContact C-N 3.3Å; V55-A57 PolarHBondContact O-N 3.21Å; V55-I58 PolarHBondContact O-N 3.41Å; V55-K59 WeakPolarHBondContact O-CB 3.42Å; V55-K59 PolarHBondContact O-N 2.92Å; V55-E367 HydrophobicContact CB-CB 4.5Å; V55-E367 HydrophobicContact CB-CG 4.38Å; V55-E367 HydrophobicContact CG1-CB 4.48Å; V55-E367 HydrophobicContact CG2-CB 4.29Å; V55-E367 HydrophobicContact CG2-CG 3.78Å; V55-I371 HydrophobicContact CG1-CD1 3.83Å; V55-I371 HydrophobicContact CG1-CG1 3.55Å
56	A	98.9	Very high	98.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.5	-41.8	175.1	0	0	0	0	0	112.1	G52 K59 A60 L180 I353 V374	G52-A56 WeakPolarHBondContact O-CB 3.42Å; G52-A56 PolarHBondContact O-N 2.96Å; A56-K59 PolarHBondContact O-N 3.12Å; A56-A60 VanDerWaalsContact O-CB 3.23Å; A56-A60 WeakPolarHBondContact O-CB 3.26Å; A56-A60 PolarHBondContact O-N 3.27Å; A56-L180 HydrophobicContact CB-CD2 3.4Å; A56-L180 VanDerWaalsContact CB-CD2 3.4Å; A56-I353 HydrophobicContact CB-CD1 4.28Å; A56-V374 HydrophobicContact CB-CG1 4.08Å
57	A	98.9	Very high	98.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-43.3	178.6	0	0	0	0	0	112.3	V46 G53 Y54 V55 A61 T67 C69 F142 V147	V46-A57 HydrophobicContact CG2-CB 3.99Å; G53-A57 WeakPolarHBondContact O-CB 3.21Å; G53-A57 PolarHBondContact O-N 3.1Å; Y54-A57 PolarHBondContact O-N 3.08Å; V55-A57 VanDerWaalsContact C-N 3.3Å; V55-A57 PolarHBondContact O-N 3.21Å; A57-A61 WeakPolarHBondContact O-CB 3.18Å; A57-A61 PolarHBondContact O-N 3.46Å; A57-A61 VanDerWaalsContact O-N 3.14Å; A57-T67 HydrophobicContact CB-CG2 4.01Å; A57-C69 HydrophobicContact CB-CB 4.06Å; A57-F142 HydrophobicContact CB-CE1 4.28Å; A57-F142 HydrophobicContact CB-CZ 4.21Å; A57-V147 HydrophobicContact CB-CG1 4.02Å; A57-V147 HydrophobicContact CB-CG2 4.47Å; A57-V147 WeakPolarHBondContact O-CG2 3.2Å
58	I	98.9	Very high	98.8	Very high	18 Å²	18	28.6 Å²	28.6	9%	0.092	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-49.6	175.6	-70.9	166.3	0	0	0	110.3	Y54 V55 A60 A61 Q62 L141 F142 N145	Y54-I58 HydrophobicContact CD2-CD1 3.99Å; Y54-I58 WeakPolarHBondContact O-CG1 3.38Å; Y54-I58 PolarHBondContact O-N 2.9Å; Y54-I58 VanDerWaalsContact O-N 3.09Å; V55-I58 PolarHBondContact O-N 3.41Å; I58-A60 PolarHBondContact O-N 2.82Å; I58-A61 PolarHBondContact O-N 2.93Å; I58-Q62 HydrophobicContact CG2-CG 4.49Å; I58-Q62 VanDerWaalsContact O-CG 3.32Å; I58-Q62 WeakPolarHBondContact O-CG 3.44Å; I58-Q62 PolarHBondContact O-N 2.8Å; I58-L141 HydrophobicContact CD1-CB 3.84Å; I58-L141 HydrophobicContact CD1-CD1 4.25Å; I58-F142 HydrophobicContact CD1-CD1 4.19Å; I58-F142 HydrophobicContact CD1-CE1 4.2Å; I58-F142 HydrophobicContact CG1-CD1 3.88Å; I58-F142 HydrophobicContact CG1-CE1 3.95Å; I58-N145 HydrophobicContact CG2-CB 4.49Å
59	K	98.9	Very high	98.8	Very high	50 Å²	50	28.1 Å²	28.1	22%	0.217	16%	0.159	C	C	.	.	H	α-helix	trans	-64.5	-41.4	-178.2	-177.7	68.5	-179.4	-158.3	0	112	V55 A56 A61 Q62 L63 I371 V374 E375	V55-K59 WeakPolarHBondContact O-CB 3.42Å; V55-K59 PolarHBondContact O-N 2.92Å; A56-K59 PolarHBondContact O-N 3.12Å; K59-A61 VanDerWaalsContact C-N 3.33Å; K59-A61 PolarHBondContact O-N 3.44Å; K59-Q62 WeakPolarHBondContact O-CB 3.26Å; K59-Q62 PolarHBondContact O-N 3.16Å; K59-L63 HydrophobicContact CG-CD1 4.21Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.25Å; K59-I371 HydrophobicContact CD-CG2 4.35Å; K59-I371 HydrophobicContact CG-CG2 4.23Å; K59-V374 HydrophobicContact CB-CG2 3.8Å; K59-V374 HydrophobicContact CG-CG2 3.54Å; K59-E375 WeakPolarHBondContact CE-OE1 3.25Å; K59-E375 IonicContact NZ-OE1 3.76Å; K59-E375 PolarHBondContact NZ-OE1 3.42Å
60	A	98.9	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-44	175.3	0	0	0	0	0	111.6	A56 I58 Q62 L63 G64 F65 T67 V374	A56-A60 VanDerWaalsContact O-CB 3.23Å; A56-A60 WeakPolarHBondContact O-CB 3.26Å; A56-A60 PolarHBondContact O-N 3.27Å; I58-A60 PolarHBondContact O-N 2.82Å; A60-Q62 PolarHBondContact O-N 3.18Å; A60-L63 CarbonylContact O-C 3.59Å; A60-L63 PolarHBondContact O-N 2.78Å; A60-G64 PolarHBondContact O-N 2.92Å; A60-F65 HydrophobicContact CB-CB 4.35Å; A60-F65 HydrophobicContact CB-CD2 4.08Å; A60-F65 WeakPolarHBondContact O-CB 3.33Å; A60-F65 WeakPolarHBondContact O-CD2 3.42Å; A60-F65 PolarHBondContact O-N 2.99Å; A60-T67 HydrophobicContact CB-CG2 4.23Å; A60-V374 HydrophobicContact CB-CB 4.1Å; A60-V374 HydrophobicContact CB-CG1 4.04Å; A60-V374 HydrophobicContact CB-CG2 4.38Å
61	A	98.8	Very high	98.8	Very high	22 Å²	22	28 Å²	28	18%	0.182	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-38.5	176.2	0	0	0	0	0	112.6	A57 I58 K59 L63 G64 T67 N145 V147	A57-A61 WeakPolarHBondContact O-CB 3.18Å; A57-A61 PolarHBondContact O-N 3.46Å; A57-A61 VanDerWaalsContact O-N 3.14Å; I58-A61 PolarHBondContact O-N 2.93Å; K59-A61 VanDerWaalsContact C-N 3.33Å; K59-A61 PolarHBondContact O-N 3.44Å; A61-L63 VanDerWaalsContact C-N 3.27Å; A61-L63 PolarHBondContact O-N 2.96Å; A61-G64 PolarHBondContact O-N 2.78Å; A61-T67 PolarHBondContact N-OG1 2.8Å; A61-N145 HydrophobicContact CB-CB 4.4Å; A61-N145 VanDerWaalsContact CB-O 3.29Å; A61-N145 WeakPolarHBondContact CB-O 3.35Å; A61-V147 HydrophobicContact CB-CG2 3.79Å
62	Q	98.8	Very high	98.8	Very high	117 Å²	117	31.8 Å²	31.8	55%	0.547	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-30.6	173.6	-71.1	171.5	-4.1	0	0	112.9	I58 K59 A60 G64 N145	I58-Q62 HydrophobicContact CG2-CG 4.49Å; I58-Q62 VanDerWaalsContact O-CG 3.32Å; I58-Q62 WeakPolarHBondContact O-CG 3.44Å; I58-Q62 PolarHBondContact O-N 2.8Å; K59-Q62 WeakPolarHBondContact O-CB 3.26Å; K59-Q62 PolarHBondContact O-N 3.16Å; A60-Q62 PolarHBondContact O-N 3.18Å; Q62-G64 PolarHBondContact O-N 3.16Å; Q62-N145 WeakPolarHBondContact CG-OD1 3.3Å; Q62-N145 PolarHBondContact NE2-OD1 2.89Å
63	L	98.7	Very high	98.8	Very high	71 Å²	71	34.4 Å²	34.4	37%	0.372	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.1	173.2	-67.5	169.2	0	0	0	113.3	K59 A60 A61 F65 V374 E375 A378	K59-L63 HydrophobicContact CG-CD1 4.21Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.25Å; A60-L63 CarbonylContact O-C 3.59Å; A60-L63 PolarHBondContact O-N 2.78Å; A61-L63 VanDerWaalsContact C-N 3.27Å; A61-L63 PolarHBondContact O-N 2.96Å; L63-F65 HydrophobicContact CB-CD2 4.31Å; L63-F65 HydrophobicContact CB-CE2 4.43Å; L63-V374 HydrophobicContact CD1-CG2 4.12Å; L63-E375 HydrophobicContact CD1-CG 3.98Å; L63-A378 HydrophobicContact CD1-CB 4.2Å
64	G	98.5	Very high	98.7	Very high	63 Å²	63	43.2 Å²	43.2	65%	0.649	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.4	3.2	174.5	0	0	0	0	0	115.4	A60 A61 Q62	A60-G64 PolarHBondContact O-N 2.92Å; A61-G64 PolarHBondContact O-N 2.78Å; Q62-G64 PolarHBondContact O-N 3.16Å
65	F	98.8	Very high	98.7	Very high	43 Å²	43	44 Å²	44	19%	0.189	23%	0.232	C	C	.	.			trans	-74.8	133	175.5	-65.8	-59.2	0	0	0	111.7	D43 V44 A60 L63 T67 M377 A378	D43-F65 HydrophobicContact CB-CB 3.92Å; D43-F65 HydrophobicContact CB-CD1 3.67Å; D43-F65 HydrophobicContact CB-CG 4.22Å; V44-F65 HydrophobicContact CG2-CB 3.95Å; V44-F65 HydrophobicContact CG2-CD1 4.26Å; V44-F65 HydrophobicContact CG2-CD2 3.99Å; V44-F65 HydrophobicContact CG2-CG 3.82Å; A60-F65 HydrophobicContact CB-CB 4.35Å; A60-F65 HydrophobicContact CB-CD2 4.08Å; A60-F65 WeakPolarHBondContact O-CB 3.33Å; A60-F65 WeakPolarHBondContact O-CD2 3.42Å; A60-F65 PolarHBondContact O-N 2.99Å; L63-F65 HydrophobicContact CB-CD2 4.31Å; L63-F65 HydrophobicContact CB-CE2 4.43Å; F65-T67 PolarHBondContact O-N 2.97Å; F65-T67 PolarHBondContact O-OG1 2.68Å; F65-M377 HydrophobicContact CE2-CB 4.26Å; F65-M377 HydrophobicContact CZ-CB 4.23Å; F65-A378 HydrophobicContact CE2-CB 3.99Å; F65-A378 HydrophobicContact CZ-CB 4.06Å
66	K	98.8	Very high	98.7	Very high	102 Å²	102	43.1 Å²	43.1	44%	0.443	23%	0.226	S	C	.	.			trans	-66	104.8	165.3	-174.4	173.7	-170.3	-73.2	0	108.6	D41 D43 V44	D41-K66 WeakPolarHBondContact O-CD 3.39Å; D41-K66 WeakPolarHBondContact O-CE 3.08Å; D41-K66 PolarHBondContact O-NZ 3.03Å; D43-K66 PolarHBondContact N-O 3.37Å; D43-K66 WeakPolarHBondContact OD2-CB 3.46Å; D43-K66 PolarHBondContact OD2-N 3.18Å; V44-K66 PolarHBondContact N-O 3.29Å
67	T	98.9	Very high	98.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.9	-166.9	-56.2	0	0	0	0	112.1	V44 V46 A57 A60 A61 F65 V148	V44-T67 HydrophobicContact CB-CG2 4.46Å; V44-T67 WeakPolarHBondContact O-CA 3.41Å; V46-T67 HydrophobicContact CG2-CG2 4.41Å; A57-T67 HydrophobicContact CB-CG2 4.01Å; A60-T67 HydrophobicContact CB-CG2 4.23Å; A61-T67 PolarHBondContact N-OG1 2.8Å; F65-T67 PolarHBondContact O-N 2.97Å; F65-T67 PolarHBondContact O-OG1 2.68Å; T67-V148 PolarHBondContact O-N 3.19Å
68	V	98.9	Very high	98.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	137.3	171.6	178.6	0	0	0	0	108.6	I40 A42 V44 T45 V46 I70 V148 V150 I174	I40-V68 HydrophobicContact CG2-CG2 3.87Å; A42-V68 HydrophobicContact CB-CB 4.38Å; A42-V68 HydrophobicContact CB-CG2 3.68Å; V44-V68 PolarHBondContact O-N 3.06Å; T45-V68 CarbonylContact C-O 3.58Å; T45-V68 WeakPolarHBondContact CA-O 3.4Å; T45-V68 HydrophobicContact CG2-CB 4.43Å; V46-V68 PolarHBondContact N-O 2.97Å; V68-I70 HydrophobicContact CG1-CG1 4.33Å; V68-V148 CarbonylContact C-O 3.25Å; V68-V148 WeakPolarHBondContact CA-O 3.47Å; V68-V148 HydrophobicContact CG2-CB 4.09Å; V68-V148 HydrophobicContact CG2-CG1 4.49Å; V68-V150 HydrophobicContact CG1-CB 4.46Å; V68-V150 HydrophobicContact CG1-CG2 3.76Å; V68-I174 HydrophobicContact CB-CG2 4.44Å; V68-I174 HydrophobicContact CG1-CG1 4.27Å; V68-I174 HydrophobicContact CG2-CG2 4.19Å
69	C	98.9	Very high	98.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.1	172.3	-176.1	0	0	0	0	109.6	V46 A57 F142 V147 V148 H149 V150	V46-C69 CarbonylContact O-C 3.54Å; V46-C69 WeakPolarHBondContact O-CA 3.07Å; A57-C69 HydrophobicContact CB-CB 4.06Å; C69-F142 HydrophobicContact CB-CE2 3.64Å; C69-F142 HydrophobicContact CB-CZ 3.93Å; C69-V147 HydrophobicContact CB-CG1 3.95Å; C69-V148 PolarHBondContact N-O 3.24Å; C69-H149 WeakPolarHBondContact O-CA 3.42Å; C69-V150 PolarHBondContact O-N 3.32Å
70	I	98.9	Very high	98.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.6	-178.9	-59.4	168	0	0	0	108.9	T45 V46 I47 G48 V68 V150 G152 V162 A164 I174	T45-I70 HydrophobicContact CG2-CD1 3.61Å; T45-I70 HydrophobicContact CG2-CG1 4.22Å; V46-I70 PolarHBondContact O-N 3.21Å; I47-I70 HydrophobicContact CG1-CD1 4.48Å; G48-I70 WeakPolarHBondContact CA-O 3.44Å; G48-I70 PolarHBondContact N-O 3.15Å; V68-I70 HydrophobicContact CG1-CG1 4.33Å; I70-V150 WeakPolarHBondContact CA-O 3.13Å; I70-V150 HydrophobicContact CG1-CB 4.24Å; I70-G152 VanDerWaalsContact CG2-O 3.22Å; I70-G152 WeakPolarHBondContact CG2-O 3.33Å; I70-V162 HydrophobicContact CD1-CB 4.2Å; I70-V162 HydrophobicContact CD1-CG1 3.5Å; I70-A164 HydrophobicContact CD1-CB 4.32Å; I70-A164 HydrophobicContact CG2-CB 3.95Å; I70-I174 HydrophobicContact CD1-CD1 3.89Å
71	E	98.8	Very high	98.4	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.3	173.8	176	54.6	-110.3	0	0	109.5	S49 N73 L76 V150 N151 G152	S49-E71 WeakPolarHBondContact CB-OE2 3.38Å; S49-E71 PolarHBondContact N-OE2 3.44Å; S49-E71 VanDerWaalsContact OG-CD 3.28Å; S49-E71 VanDerWaalsContact OG-CG 3.27Å; S49-E71 WeakPolarHBondContact OG-CG 3.48Å; S49-E71 PolarHBondContact OG-OE2 3.33Å; E71-N73 HydrophobicContact CG-CB 4.12Å; E71-N73 VanDerWaalsContact OE1-CB 3.32Å; E71-N73 WeakPolarHBondContact OE1-CB 3.17Å; E71-N73 PolarHBondContact OE1-N 3.03Å; E71-N73 PolarHBondContact OE1-ND2 2.86Å; E71-L76 HydrophobicContact CB-CD2 3.91Å; E71-L76 HydrophobicContact CG-CD2 4.26Å; E71-V150 PolarHBondContact N-O 2.96Å; E71-V150 VanDerWaalsContact N-O 3.15Å; E71-N151 CarbonylContact O-C 3.15Å; E71-N151 VanDerWaalsContact O-CA 3.31Å; E71-N151 WeakPolarHBondContact O-CA 3.17Å; E71-N151 PolarHBondContact O-OD1 3.09Å; E71-N151 VanDerWaalsContact O-OD1 3.13Å; E71-G152 CarbonylContact C-O 3.57Å; E71-G152 PolarHBondContact O-N 2.83Å
72	K	98.5	Very high	98.4	Very high	96 Å²	96	44.9 Å²	44.9	42%	0.417	24%	0.24	S	C	.	.			trans	-89.2	-21.2	-179.2	66.7	176.7	-178.6	62.2	0	112.7	G152 Y153	K72-G152 WeakPolarHBondContact CA-O 3.49Å; K72-G152 PolarHBondContact N-O 3.33Å; K72-Y153 HydrophobicContact CB-CD2 4.03Å; K72-Y153 HydrophobicContact CD-CD2 3.56Å; K72-Y153 HydrophobicContact CD-CE2 3.54Å; K72-Y153 HydrophobicContact CG-CD2 4.41Å
73	N	97.9	Very high	98.4	Very high	58 Å²	58	41.7 Å²	41.7	31%	0.31	23%	0.228	S	C	.	.	S	Bend	trans	-82.3	162.1	-179.4	-60.8	-19.4	0	0	0	110.9	E71 T75	E71-N73 HydrophobicContact CG-CB 4.12Å; E71-N73 VanDerWaalsContact OE1-CB 3.32Å; E71-N73 WeakPolarHBondContact OE1-CB 3.17Å; E71-N73 PolarHBondContact OE1-N 3.03Å; E71-N73 PolarHBondContact OE1-ND2 2.86Å; N73-T75 PolarHBondContact O-N 2.88Å
74	E	97.6	Very high	98.3	Very high	186 Å²	186	39.2 Å²	39.2	87%	0.869	22%	0.22	S	C	*	.	S	Bend	trans	-63.4	-28.4	179.6	-61.9	-178.5	173.5	0	0	113.6
75	T	98.2	Very high	98.2	Very high	58 Å²	58	38.1 Å²	38.1	36%	0.356	20%	0.202	S	C	.	.	S	Bend	trans	-129.3	153.3	-177.7	51.8	0	0	0	0	111.5	N73 N82	N73-T75 PolarHBondContact O-N 2.88Å; T75-N82 PolarHBondContact OG1-OD1 3.09Å
76	L	98.6	Very high	98.2	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-76	171.6	174.9	-58.4	172.6	0	0	0	111.7	S49 E71 N82 T135 I138 A139 F142	S49-L76 VanDerWaalsContact OG-CA 3.3Å; S49-L76 WeakPolarHBondContact OG-CA 3.43Å; E71-L76 HydrophobicContact CB-CD2 3.91Å; E71-L76 HydrophobicContact CG-CD2 4.26Å; L76-N82 PolarHBondContact O-ND2 3.08Å; L76-T135 WeakPolarHBondContact O-CG2 3.48Å; L76-I138 HydrophobicContact CB-CB 4.24Å; L76-I138 HydrophobicContact CB-CG2 3.81Å; L76-I138 HydrophobicContact CD1-CB 4.46Å; L76-I138 HydrophobicContact CD1-CG2 3.77Å; L76-I138 HydrophobicContact CG-CG2 4.43Å; L76-A139 HydrophobicContact CD1-CB 4.32Å; L76-F142 HydrophobicContact CD1-CD2 3.67Å; L76-F142 HydrophobicContact CD1-CE2 3.73Å; L76-F142 HydrophobicContact CD1-CG 4.32Å; L76-F142 HydrophobicContact CD1-CZ 4.44Å; L76-F142 HydrophobicContact CD2-CE2 4.04Å
77	G	98.3	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	96.9	-4.1	173.7	0	0	0	0	0	114.9	S49 L81	S49-G77 CarbonylContact O-C 3.48Å; S49-G77 VanDerWaalsContact O-C 3.25Å; S49-G77 WeakPolarHBondContact O-CA 3.34Å; S49-G77 PolarHBondContact O-N 3.12Å; S49-G77 PolarHBondContact OG-N 3.31Å; G77-L81 WeakPolarHBondContact O-CB 3.49Å; G77-L81 PolarHBondContact O-N 2.95Å
78	G	98.4	Very high	98.1	Very high	7 Å²	7	34 Å²	34	7%	0.072	19%	0.187	C	C	.	.	H	α-helix	trans	54.3	-150.8	174.2	0	0	0	0	0	114.5	S49 C80 N82	S49-G78 PolarHBondContact O-N 3.41Å; G78-C80 PolarHBondContact O-N 3.47Å; G78-N82 PolarHBondContact N-ND2 2.96Å; G78-N82 WeakPolarHBondContact O-CB 3.41Å; G78-N82 PolarHBondContact O-N 3.24Å; G78-N82 PolarHBondContact O-ND2 2.84Å
79	T	98.1	Very high	98.1	Very high	45 Å²	45	36.8 Å²	36.8	28%	0.276	20%	0.199	S	C	.	.	H	α-helix	trans	-57.9	-48.6	-177.7	-57.6	0	0	0	0	112.3	L81 N82 V83 G84	T79-L81 VanDerWaalsContact C-N 3.32Å; T79-L81 PolarHBondContact O-N 2.73Å; T79-N82 PolarHBondContact O-N 3.32Å; T79-V83 HydrophobicContact CG2-CG2 4.07Å; T79-V83 CarbonylContact O-C 3.09Å; T79-V83 VanDerWaalsContact O-C 3.31Å; T79-V83 PolarHBondContact O-N 2.81Å; T79-G84 WeakPolarHBondContact O-CA 3.4Å; T79-G84 PolarHBondContact O-N 3Å
80	C	97.4	Very high	98.1	Very high	22 Å²	22	37.4 Å²	37.4	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-43.3	-171.5	-174.3	0	0	0	0	112.1	P51 G78 G84 C85 I86 A363	P51-C80 HydrophobicContact CG-CB 3.43Å; P51-C80 VanDerWaalsContact CG-CB 3.43Å; G78-C80 PolarHBondContact O-N 3.47Å; C80-G84 CarbonylContact O-C 3.26Å; C80-C85 WeakPolarHBondContact CA-SG 3.43Å; C80-C85 HydrophobicContact CB-CB 4.23Å; C80-C85 WeakPolarHBondContact CB-SG 3.47Å; C80-C85 PolarHBondContact O-N 3.09Å; C80-C85 WeakPolarHBondContact SG-CB 3.46Å; C80-C85 CovalentContact SG-SG 2.05Å; C80-C85 PolarHBondContact SG-SG 2.75Å; C80-I86 PolarHBondContact O-N 2.85Å; C80-A363 HydrophobicContact CB-CB 4.44Å
81	L	97.1	Very high	98.1	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-81.2	-40.6	-176.5	-165.6	52.7	0	0	0	113.2	G77 T79 I86 P87 V131 L134 T135 I138	G77-L81 WeakPolarHBondContact O-CB 3.49Å; G77-L81 PolarHBondContact O-N 2.95Å; T79-L81 VanDerWaalsContact C-N 3.32Å; T79-L81 PolarHBondContact O-N 2.73Å; L81-I86 HydrophobicContact CD1-CB 3.95Å; L81-I86 HydrophobicContact CD1-CG1 3.37Å; L81-I86 HydrophobicContact CD1-CG2 4.26Å; L81-P87 WeakPolarHBondContact O-CD 3.39Å; L81-V131 WeakPolarHBondContact O-CG2 3.33Å; L81-L134 HydrophobicContact CD1-CB 3.64Å; L81-L134 HydrophobicContact CD1-CD1 3.85Å; L81-L134 HydrophobicContact CD1-CG 4.39Å; L81-L134 HydrophobicContact CD2-CB 4.08Å; L81-L134 HydrophobicContact CG-CB 4.34Å; L81-T135 HydrophobicContact CD2-CG2 3.62Å; L81-T135 HydrophobicContact CG-CG2 3.84Å; L81-I138 HydrophobicContact CD2-CD1 3.43Å; L81-I138 VanDerWaalsContact CD2-CD1 3.43Å; L81-I138 HydrophobicContact CD2-CG1 4.26Å
82	N	98.3	Very high	98.1	Very high	36 Å²	36	37.2 Å²	37.2	19%	0.193	20%	0.204	C	C	.	.	H	α-helix	trans	-90.1	-39.1	-170.3	-64.2	-78.1	0	0	0	113.4	T75 L76 G78 T79 T135	T75-N82 PolarHBondContact OG1-OD1 3.09Å; L76-N82 PolarHBondContact O-ND2 3.08Å; G78-N82 PolarHBondContact N-ND2 2.96Å; G78-N82 WeakPolarHBondContact O-CB 3.41Å; G78-N82 PolarHBondContact O-N 3.24Å; G78-N82 PolarHBondContact O-ND2 2.84Å; T79-N82 PolarHBondContact O-N 3.32Å; N82-T135 WeakPolarHBondContact OD1-CG2 3Å
83	V	97.8	Very high	98.1	Very high	50 Å²	50	36 Å²	36	30%	0.303	20%	0.202	S	C	.	.	H	α-helix	trans	-142.6	23.5	-168.7	-62.6	0	0	0	0	113.5	T79 T204 L207	T79-V83 HydrophobicContact CG2-CG2 4.07Å; T79-V83 CarbonylContact O-C 3.09Å; T79-V83 VanDerWaalsContact O-C 3.31Å; T79-V83 PolarHBondContact O-N 2.81Å; V83-T204 HydrophobicContact CB-CG2 4.22Å; V83-T204 HydrophobicContact CG1-CG2 3.81Å; V83-L207 WeakPolarHBondContact O-CD1 3.32Å
84	G	97.7	Very high	98.1	Very high	19 Å²	19	34.5 Å²	34.5	20%	0.196	19%	0.194	C	C	.	.	S	Bend	trans	-141.7	-114.4	-172	0	0	0	0	0	113.2	T79 C80 P87 S88	T79-G84 WeakPolarHBondContact O-CA 3.4Å; T79-G84 PolarHBondContact O-N 3Å; C80-G84 CarbonylContact O-C 3.26Å; G84-P87 WeakPolarHBondContact O-CD 3.47Å; G84-P87 WeakPolarHBondContact O-CG 3.47Å; G84-S88 VanDerWaalsContact O-CB 3.32Å; G84-S88 WeakPolarHBondContact O-CB 3.45Å; G84-S88 PolarHBondContact O-N 3.38Å; G84-S88 PolarHBondContact O-OG 2.87Å
85	C	96.7	Very high	98.2	Very high	40 Å²	40	25.7 Å²	25.7	27%	0.27	15%	0.152	S	C	.	.	H	α-helix	trans	-51.8	-60.2	-173.3	-35.4	0	0	0	0	112.8	C80 S88 K89	C80-C85 WeakPolarHBondContact CA-SG 3.43Å; C80-C85 HydrophobicContact CB-CB 4.23Å; C80-C85 WeakPolarHBondContact CB-SG 3.47Å; C80-C85 PolarHBondContact O-N 3.09Å; C80-C85 WeakPolarHBondContact SG-CB 3.46Å; C80-C85 CovalentContact SG-SG 2.05Å; C80-C85 PolarHBondContact SG-SG 2.75Å; C85-S88 PolarHBondContact O-N 3.49Å; C85-S88 PolarHBondContact O-OG 3.45Å; C85-K89 WeakPolarHBondContact O-CB 3.47Å; C85-K89 WeakPolarHBondContact O-CD 3.17Å; C85-K89 PolarHBondContact O-N 3.4Å
86	I	98.2	Very high	98.2	Very high	52 Å²	52	24.4 Å²	24.4	27%	0.267	14%	0.142	S	C	.	.	H	α-helix	trans	-64	-50	-172.9	-61.8	-46.3	0	0	0	112.9	C80 L81 S88 K89 A90 V131 L134	C80-I86 PolarHBondContact O-N 2.85Å; L81-I86 HydrophobicContact CD1-CB 3.95Å; L81-I86 HydrophobicContact CD1-CG1 3.37Å; L81-I86 HydrophobicContact CD1-CG2 4.26Å; I86-S88 VanDerWaalsContact C-N 3.33Å; I86-S88 PolarHBondContact O-N 2.93Å; I86-K89 PolarHBondContact O-N 2.89Å; I86-A90 WeakPolarHBondContact O-CB 3.33Å; I86-A90 PolarHBondContact O-N 2.94Å; I86-V131 HydrophobicContact CG2-CG2 4.05Å; I86-L134 HydrophobicContact CD1-CD1 4.35Å; I86-L134 HydrophobicContact CG1-CD1 4.09Å; I86-L134 HydrophobicContact CG2-CD1 3.79Å
87	P	98.3	Very high	98.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.013	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-35.3	178.4	22.9	-33.5	0	0	0	113.1	L81 G84 L91 K127 V131 L207	L81-P87 WeakPolarHBondContact O-CD 3.39Å; G84-P87 WeakPolarHBondContact O-CD 3.47Å; G84-P87 WeakPolarHBondContact O-CG 3.47Å; P87-L91 WeakPolarHBondContact O-CG 3.43Å; P87-L91 PolarHBondContact O-N 2.63Å; P87-K127 HydrophobicContact CB-CD 3.68Å; P87-K127 HydrophobicContact CB-CG 3.81Å; P87-V131 HydrophobicContact CB-CG2 4.37Å; P87-L207 HydrophobicContact CB-CD1 4.05Å; P87-L207 HydrophobicContact CB-CD2 4.21Å; P87-L207 HydrophobicContact CG-CD1 3.81Å
88	S	97.9	Very high	98.3	Very high	8 Å²	8	31.9 Å²	31.9	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-44.7	175.3	54.6	0	0	0	0	111.8	G84 C85 I86 A90 L91 L92	G84-S88 VanDerWaalsContact O-CB 3.32Å; G84-S88 WeakPolarHBondContact O-CB 3.45Å; G84-S88 PolarHBondContact O-N 3.38Å; G84-S88 PolarHBondContact O-OG 2.87Å; C85-S88 PolarHBondContact O-N 3.49Å; C85-S88 PolarHBondContact O-OG 3.45Å; I86-S88 VanDerWaalsContact C-N 3.33Å; I86-S88 PolarHBondContact O-N 2.93Å; S88-A90 PolarHBondContact O-N 3.11Å; S88-L91 PolarHBondContact O-N 2.74Å; S88-L92 WeakPolarHBondContact O-CB 3.25Å; S88-L92 WeakPolarHBondContact O-CD1 3.36Å; S88-L92 VanDerWaalsContact O-CG 3.31Å; S88-L92 WeakPolarHBondContact O-CG 3.45Å; S88-L92 PolarHBondContact O-N 2.94Å
89	K	98.5	Very high	98.3	Very high	57 Å²	57	35.4 Å²	35.4	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-67.6	-36.8	-178.1	-85.1	69.2	-157.4	161.7	0	111.5	C85 I86 L92 N93 E227 Y394	C85-K89 WeakPolarHBondContact O-CB 3.47Å; C85-K89 WeakPolarHBondContact O-CD 3.17Å; C85-K89 PolarHBondContact O-N 3.4Å; I86-K89 PolarHBondContact O-N 2.89Å; K89-L92 PolarHBondContact O-N 3.49Å; K89-N93 VanDerWaalsContact O-CB 3.29Å; K89-N93 WeakPolarHBondContact O-CB 3.44Å; K89-N93 PolarHBondContact O-N 2.97Å; K89-E227 IonicContact NZ-OE1 3.82Å; K89-E227 PolarHBondContact NZ-OE1 2.93Å; K89-E227 IonicContact NZ-OE2 3.51Å; K89-E227 PolarHBondContact NZ-OE2 2.91Å; K89-Y394 HydrophobicContact CD-CD2 4.27Å; K89-Y394 HydrophobicContact CD-CG 4.34Å; K89-Y394 VanDerWaalsContact CE-CE2 3.46Å; K89-Y394 HydrophobicContact CG-CD1 4.3Å; K89-Y394 HydrophobicContact CG-CG 4.18Å
90	A	98.6	Very high	98.3	Very high	14 Å²	14	34.7 Å²	34.7	12%	0.116	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-47.3	171.7	0	0	0	0	0	111.9	I86 S88 N94 K127	I86-A90 WeakPolarHBondContact O-CB 3.33Å; I86-A90 PolarHBondContact O-N 2.94Å; S88-A90 PolarHBondContact O-N 3.11Å; A90-N94 WeakPolarHBondContact O-CB 3.47Å; A90-N94 PolarHBondContact O-N 3.26Å; A90-N94 PolarHBondContact O-ND2 2.85Å; A90-N94 PolarHBondContact O-OD1 3.02Å; A90-K127 HydrophobicContact CB-CB 4.14Å; A90-K127 HydrophobicContact CB-CG 4.09Å
91	L	98.8	Very high	98.4	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-71.2	-35.3	179	-68.2	-178.2	0	0	0	113.2	P87 S88 S95 M123 M124 K127 L207 V231	P87-L91 WeakPolarHBondContact O-CG 3.43Å; P87-L91 PolarHBondContact O-N 2.63Å; S88-L91 PolarHBondContact O-N 2.74Å; L91-S95 WeakPolarHBondContact O-CB 3.31Å; L91-S95 PolarHBondContact O-N 2.89Å; L91-S95 PolarHBondContact O-OG 2.96Å; L91-M123 HydrophobicContact CD2-CG 4Å; L91-M123 HydrophobicContact CD2-SD 4.33Å; L91-M124 HydrophobicContact CD1-CE 4.16Å; L91-M124 HydrophobicContact CD1-SD 4.3Å; L91-M124 HydrophobicContact CD2-CE 4.41Å; L91-M124 HydrophobicContact CD2-SD 4.12Å; L91-K127 HydrophobicContact CD1-CD 4.14Å; L91-K127 HydrophobicContact CD2-CB 4.32Å; L91-K127 HydrophobicContact CD2-CD 4.37Å; L91-K127 HydrophobicContact CG-CD 4.07Å; L91-K127 HydrophobicContact CG-CG 4.36Å; L91-L207 HydrophobicContact CD1-CD2 3.88Å; L91-V231 HydrophobicContact CB-CG1 3.91Å; L91-V231 HydrophobicContact CB-CG2 4.12Å
92	L	98.8	Very high	98.4	Very high	7 Å²	7	39 Å²	39	4%	0.037	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-48.4	173	-78.4	160.5	0	0	0	111.1	S88 K89 S95 H96 E227 V231 Y394	S88-L92 WeakPolarHBondContact O-CB 3.25Å; S88-L92 WeakPolarHBondContact O-CD1 3.36Å; S88-L92 VanDerWaalsContact O-CG 3.31Å; S88-L92 WeakPolarHBondContact O-CG 3.45Å; S88-L92 PolarHBondContact O-N 2.94Å; K89-L92 PolarHBondContact O-N 3.49Å; L92-S95 PolarHBondContact O-OG 3.29Å; L92-S95 VanDerWaalsContact O-OG 3.09Å; L92-H96 WeakPolarHBondContact O-CB 3.33Å; L92-H96 PolarHBondContact O-N 3.28Å; L92-E227 HydrophobicContact CD1-CB 4.06Å; L92-E227 HydrophobicContact CD1-CG 3.93Å; L92-E227 HydrophobicContact CD2-CB 4.34Å; L92-V231 HydrophobicContact CB-CG2 4.4Å; L92-V231 HydrophobicContact CD2-CG2 3.68Å; L92-V231 HydrophobicContact CG-CG2 3.72Å; L92-Y394 WeakPolarHBondContact CD1-O 3.49Å
93	N	98.8	Very high	98.3	Very high	71 Å²	71	38.8 Å²	38.8	38%	0.38	21%	0.207	S	C	.	.	H	α-helix	trans	-61	-50.6	176.7	179.5	80.8	0	0	0	111.9	K89 S95 H96 Y97	K89-N93 VanDerWaalsContact O-CB 3.29Å; K89-N93 WeakPolarHBondContact O-CB 3.44Å; K89-N93 PolarHBondContact O-N 2.97Å; N93-S95 PolarHBondContact O-N 3.28Å; N93-H96 PolarHBondContact O-N 3.48Å; N93-Y97 WeakPolarHBondContact ND2-CE2 3.43Å; N93-Y97 WeakPolarHBondContact O-CD2 3.36Å; N93-Y97 PolarHBondContact O-N 2.88Å; N93-Y97 VanDerWaalsContact O-N 3.09Å; N93-Y97 WeakPolarHBondContact OD1-CE2 3.16Å
94	N	98.8	Very high	98.3	Very high	26 Å²	26	45.1 Å²	45.1	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-67.4	-40.3	-176.8	-62.6	-14.4	0	0	0	112.5	A90 H96 Y97 Y98 M123 Q126	A90-N94 WeakPolarHBondContact O-CB 3.47Å; A90-N94 PolarHBondContact O-N 3.26Å; A90-N94 PolarHBondContact O-ND2 2.85Å; A90-N94 PolarHBondContact O-OD1 3.02Å; N94-H96 VanDerWaalsContact C-N 3.33Å; N94-Y97 PolarHBondContact O-N 2.91Å; N94-Y98 PolarHBondContact O-N 3.03Å; N94-M123 HydrophobicContact CB-CE 3.98Å; N94-M123 HydrophobicContact CB-CG 3.77Å; N94-M123 HydrophobicContact CB-SD 3.94Å; N94-Q126 PolarHBondContact ND2-OE1 2.71Å
95	S	98.9	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-69.2	-31.4	176.2	62.9	0	0	0	0	112.4	L91 L92 N93 H99	L91-S95 WeakPolarHBondContact O-CB 3.31Å; L91-S95 PolarHBondContact O-N 2.89Å; L91-S95 PolarHBondContact O-OG 2.96Å; L92-S95 PolarHBondContact O-OG 3.29Å; L92-S95 VanDerWaalsContact O-OG 3.09Å; N93-S95 PolarHBondContact O-N 3.28Å; S95-H99 WeakPolarHBondContact O-CB 3.42Å; S95-H99 PolarHBondContact O-N 2.83Å
96	H	98.8	Very high	98.5	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.148	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-48.7	172.8	174.7	59.5	0	0	0	111.6	L92 N93 N94 Y98 H99 M100 H396	L92-H96 WeakPolarHBondContact O-CB 3.33Å; L92-H96 PolarHBondContact O-N 3.28Å; N93-H96 PolarHBondContact O-N 3.48Å; N94-H96 VanDerWaalsContact C-N 3.33Å; H96-Y98 VanDerWaalsContact C-N 3.35Å; H96-Y98 PolarHBondContact O-N 2.85Å; H96-H99 WeakPolarHBondContact O-CB 3.46Å; H96-H99 PolarHBondContact O-N 3.3Å; H96-H99 VanDerWaalsContact O-N 3.1Å; H96-M100 PolarHBondContact NE2-SD 2.73Å; H96-M100 VanDerWaalsContact NE2-SD 3.38Å; H96-M100 WeakPolarHBondContact O-CG 3.39Å; H96-M100 PolarHBondContact O-N 3.03Å; H96-H396 AromaticContact CE1-CD2 3.38Å; H96-H396 PolarHBondContact CE1-CD2 2.88Å; H96-H396 AromaticContact CE1-CE1 3.51Å; H96-H396 AromaticContact CE1-CG 3.42Å; H96-H396 VanDerWaalsContact CE1-CG 3.42Å; H96-H396 AromaticContact CE1-ND1 3.51Å; H96-H396 AromaticContact CE1-NE2 3.41Å; H96-H396 PolarHBondContact CE1-NE2 2.82Å; H96-H396 AromaticContact ND1-CD2 3.79Å; H96-H396 AromaticContact ND1-CG 3.64Å; H96-H396 AromaticContact NE2-CE1 3.81Å; H96-H396 AromaticContact NE2-ND1 3.8Å
97	Y	98.8	Very high	98.5	Very high	127 Å²	127	47.1 Å²	47.1	50%	0.498	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-38.8	175.9	-68.9	-47	0	0	0	113	N93 N94 H99 M100 A101	N93-Y97 WeakPolarHBondContact ND2-CE2 3.43Å; N93-Y97 WeakPolarHBondContact O-CD2 3.36Å; N93-Y97 PolarHBondContact O-N 2.88Å; N93-Y97 VanDerWaalsContact O-N 3.09Å; N93-Y97 WeakPolarHBondContact OD1-CE2 3.16Å; N94-Y97 PolarHBondContact O-N 2.91Å; Y97-H99 VanDerWaalsContact C-N 3.3Å; Y97-H99 PolarHBondContact O-N 3.41Å; Y97-M100 HydrophobicContact CD1-SD 4.27Å; Y97-M100 PolarHBondContact O-N 3.26Å; Y97-A101 WeakPolarHBondContact O-CB 3.43Å; Y97-A101 PolarHBondContact O-N 2.72Å
98	Y	98.8	Very high	98.5	Very high	37 Å²	37	51.3 Å²	51.3	15%	0.145	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-45.4	171.2	173.1	-101.8	0	0	0	111.1	N94 H96 M100 A101 H102 V116 L118 R234 L235	N94-Y98 PolarHBondContact O-N 3.03Å; H96-Y98 VanDerWaalsContact C-N 3.35Å; H96-Y98 PolarHBondContact O-N 2.85Å; Y98-M100 PolarHBondContact O-N 3.3Å; Y98-A101 PolarHBondContact O-N 2.74Å; Y98-H102 HydrophobicContact CD2-CB 4.47Å; Y98-H102 HydrophobicContact CE1-CB 4.32Å; Y98-H102 HydrophobicContact CE2-CB 4.08Å; Y98-H102 AromaticContact CZ-CD2 3.93Å; Y98-H102 AromaticContact CZ-CG 3.89Å; Y98-H102 WeakPolarHBondContact O-CB 3.35Å; Y98-H102 PolarHBondContact O-N 3.42Å; Y98-H102 PolarHBondContact OH-CD2 2.92Å; Y98-V116 HydrophobicContact CD2-CG1 4.3Å; Y98-V116 HydrophobicContact CE2-CG1 4.14Å; Y98-L118 HydrophobicContact CD2-CB 4.47Å; Y98-L118 HydrophobicContact CD2-CD1 4.39Å; Y98-L118 HydrophobicContact CE2-CB 3.87Å; Y98-R234 WeakPolarHBondContact CD1-O 3.39Å; Y98-R234 WeakPolarHBondContact CE1-O 3.48Å; Y98-L235 HydrophobicContact CD1-CD2 3.76Å; Y98-L235 HydrophobicContact CE1-CD2 4.35Å; Y98-L235 HydrophobicContact CG-CD2 4.18Å
99	H	98.7	Very high	98.5	Very high	80 Å²	80	55.7 Å²	55.7	37%	0.37	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-41.5	178.3	-177.6	75.6	0	0	0	112.9	S95 H96 Y97 G103 R234	S95-H99 WeakPolarHBondContact O-CB 3.42Å; S95-H99 PolarHBondContact O-N 2.83Å; H96-H99 WeakPolarHBondContact O-CB 3.46Å; H96-H99 PolarHBondContact O-N 3.3Å; H96-H99 VanDerWaalsContact O-N 3.1Å; Y97-H99 VanDerWaalsContact C-N 3.3Å; Y97-H99 PolarHBondContact O-N 3.41Å; H99-G103 VanDerWaalsContact O-CA 3.3Å; H99-G103 WeakPolarHBondContact O-CA 3.41Å; H99-G103 PolarHBondContact O-N 3.12Å; H99-R234 HydrophobicContact CB-CB 4.22Å; H99-R234 HydrophobicContact CB-CG 4.16Å
100	M	98.6	Very high	98.5	Very high	31 Å²	31	55.8 Å²	55.8	15%	0.153	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-42	176.9	-66.1	178.1	77.7	0	0	112.3	H96 Y97 Y98 D105 F106	H96-M100 PolarHBondContact NE2-SD 2.73Å; H96-M100 VanDerWaalsContact NE2-SD 3.38Å; H96-M100 WeakPolarHBondContact O-CG 3.39Å; H96-M100 PolarHBondContact O-N 3.03Å; Y97-M100 HydrophobicContact CD1-SD 4.27Å; Y97-M100 PolarHBondContact O-N 3.26Å; Y98-M100 PolarHBondContact O-N 3.3Å; M100-D105 HydrophobicContact CB-CB 4.1Å; M100-D105 WeakPolarHBondContact CE-OD1 3.26Å; M100-D105 HydrophobicContact CG-CB 4.35Å; M100-F106 HydrophobicContact CB-CD1 3.79Å; M100-F106 HydrophobicContact CB-CE1 3.63Å; M100-F106 HydrophobicContact CE-CE1 4.1Å; M100-F106 PolarHBondContact O-N 2.63Å; M100-F106 VanDerWaalsContact O-N 3.17Å; M100-F106 HydrophobicContact SD-CE1 4.46Å
101	A	98.7	Very high	98.5	Very high	22 Å²	22	59 Å²	59	18%	0.182	32%	0.316	C	S	.	.	H	α-helix	trans	-71.4	-44	-179.8	0	0	0	0	0	112.8	Y97 Y98 F106 M113 V116	Y97-A101 WeakPolarHBondContact O-CB 3.43Å; Y97-A101 PolarHBondContact O-N 2.72Å; Y98-A101 PolarHBondContact O-N 2.74Å; A101-F106 HydrophobicContact CB-CD2 4.12Å; A101-F106 HydrophobicContact CB-CE2 4.12Å; A101-M113 HydrophobicContact CB-CE 3.73Å; A101-M113 WeakPolarHBondContact O-CE 3.3Å; A101-V116 HydrophobicContact CB-CG1 4.27Å
102	H	98.4	Very high	98.4	Very high	107 Å²	107	67.2 Å²	67.2	50%	0.495	36%	0.355	S	S	.	.	H	α-helix	trans	-81.4	-27.2	-178.4	-175.9	-88.1	0	0	0	112.8	Y98 V116	Y98-H102 HydrophobicContact CD2-CB 4.47Å; Y98-H102 HydrophobicContact CE1-CB 4.32Å; Y98-H102 HydrophobicContact CE2-CB 4.08Å; Y98-H102 AromaticContact CZ-CD2 3.93Å; Y98-H102 AromaticContact CZ-CG 3.89Å; Y98-H102 WeakPolarHBondContact O-CB 3.35Å; Y98-H102 PolarHBondContact O-N 3.42Å; Y98-H102 PolarHBondContact OH-CD2 2.92Å; H102-V116 HydrophobicContact CB-CB 4.34Å; H102-V116 HydrophobicContact CB-CG1 4.05Å; H102-V116 PolarHBondContact CD2-O 3.21Å
103	G	96.8	Very high	98.4	Very high	31 Å²	31	71 Å²	71	32%	0.32	37%	0.374	S	S	.	.	S	Bend	trans	-80.1	-146.8	178.5	0	0	0	0	0	112.8	H99	H99-G103 VanDerWaalsContact O-CA 3.3Å; H99-G103 WeakPolarHBondContact O-CA 3.41Å; H99-G103 PolarHBondContact O-N 3.12Å
104	K	97.2	Very high	98.3	Very high	184 Å²	184	73.7 Å²	73.7	80%	0.8	40%	0.398	S	S	*	.	S	Bend	trans	-100.9	-7.1	-178	-61.3	-177.3	-179.3	-178.1	0	113.6	S108	K104-S108 WeakPolarHBondContact O-CB 3.34Å; K104-S108 PolarHBondContact O-N 2.61Å
105	D	98.5	Very high	98.3	Very high	40 Å²	40	78.7 Å²	78.7	21%	0.214	42%	0.421	C	S	.	.	H	α-helix	trans	-66	-57.2	-171.1	-179.2	-82.4	0	0	0	111.3	M100 A107 S108 R109	M100-D105 HydrophobicContact CB-CB 4.1Å; M100-D105 WeakPolarHBondContact CE-OD1 3.26Å; M100-D105 HydrophobicContact CG-CB 4.35Å; D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 PolarHBondContact O-N 3.45Å; D105-S108 WeakPolarHBondContact O-CB 3.09Å; D105-S108 PolarHBondContact O-N 2.98Å; D105-S108 PolarHBondContact O-OG 2.97Å; D105-R109 PolarHBondContact O-N 3.01Å; D105-R109 IonicContact OD1-CZ 2.79Å; D105-R109 IonicContact OD1-NE 3.37Å; D105-R109 PolarHBondContact OD1-NE 2.96Å; D105-R109 IonicContact OD1-NH2 3.92Å; D105-R109 IonicContact OD2-CZ 3.61Å; D105-R109 IonicContact OD2-NE 3.08Å; D105-R109 PolarHBondContact OD2-NE 3.34Å; D105-R109 IonicContact OD2-NH2 3.55Å; D105-R109 PolarHBondContact OD2-NH2 2.83Å
106	F	98.6	Very high	98.2	Very high	50 Å²	50	80.4 Å²	80.4	22%	0.219	43%	0.431	C	S	.	.	H	α-helix	trans	-59.6	-42.4	-179	-86.3	28.7	0	0	0	112.1	M100 A101 S108 R109 G110 I111 M113	M100-F106 HydrophobicContact CB-CD1 3.79Å; M100-F106 HydrophobicContact CB-CE1 3.63Å; M100-F106 HydrophobicContact CE-CE1 4.1Å; M100-F106 PolarHBondContact O-N 2.63Å; M100-F106 VanDerWaalsContact O-N 3.17Å; M100-F106 HydrophobicContact SD-CE1 4.46Å; A101-F106 HydrophobicContact CB-CD2 4.12Å; A101-F106 HydrophobicContact CB-CE2 4.12Å; F106-S108 VanDerWaalsContact C-N 3.3Å; F106-S108 PolarHBondContact O-N 2.88Å; F106-R109 CarbonylContact O-C 3.59Å; F106-R109 WeakPolarHBondContact O-CA 3.4Å; F106-R109 WeakPolarHBondContact O-CB 3.42Å; F106-R109 PolarHBondContact O-N 3.07Å; F106-G110 PolarHBondContact O-N 3.06Å; F106-I111 CarbonylContact C-O 3.36Å; F106-I111 HydrophobicContact CB-CB 4.04Å; F106-I111 HydrophobicContact CB-CG2 4.32Å; F106-I111 HydrophobicContact CD2-CB 4.26Å; F106-I111 HydrophobicContact CD2-CD1 4.45Å; F106-I111 HydrophobicContact CD2-CG2 3.74Å; F106-I111 HydrophobicContact CE2-CG2 4.47Å; F106-I111 HydrophobicContact CG-CB 4.35Å; F106-I111 HydrophobicContact CG-CD1 4.47Å; F106-I111 HydrophobicContact CG-CG2 4.32Å; F106-I111 PolarHBondContact O-N 3.37Å; F106-M113 HydrophobicContact CB-CE 4.19Å; F106-M113 HydrophobicContact CD2-CE 3.53Å; F106-M113 HydrophobicContact CD2-SD 4.49Å; F106-M113 HydrophobicContact CE2-CE 4.33Å; F106-M113 HydrophobicContact CG-CE 4.27Å
107	A	98.4	Very high	98.2	Very high	62 Å²	62	88.1 Å²	88.1	51%	0.512	46%	0.459	S	S	.	.	H	α-helix	trans	-59.5	-39.3	175.9	0	0	0	0	0	112.2	D105 R109 G110	D105-A107 VanDerWaalsContact C-N 3.31Å; D105-A107 PolarHBondContact O-N 3.45Å; A107-R109 PolarHBondContact O-N 3.13Å; A107-R109 VanDerWaalsContact O-N 3.14Å; A107-G110 PolarHBondContact O-N 2.96Å; A107-G110 VanDerWaalsContact O-N 3.14Å
108	S	98.5	Very high	98.2	Very high	90 Å²	90	84.5 Å²	84.5	63%	0.629	45%	0.448	S	S	*	.	H	α-helix	trans	-65.4	-14.8	176.4	77.6	0	0	0	0	114	K104 D105 F106	K104-S108 WeakPolarHBondContact O-CB 3.34Å; K104-S108 PolarHBondContact O-N 2.61Å; D105-S108 WeakPolarHBondContact O-CB 3.09Å; D105-S108 PolarHBondContact O-N 2.98Å; D105-S108 PolarHBondContact O-OG 2.97Å; F106-S108 VanDerWaalsContact C-N 3.3Å; F106-S108 PolarHBondContact O-N 2.88Å
109	R	98.5	Very high	98.2	Very high	101 Å²	101	87.6 Å²	87.6	38%	0.381	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	6.4	178.8	-57	174.1	-167.4	-82.7	-3.2	112.9	D105 F106 A107 I111 N432	D105-R109 PolarHBondContact O-N 3.01Å; D105-R109 IonicContact OD1-CZ 2.79Å; D105-R109 IonicContact OD1-NE 3.37Å; D105-R109 PolarHBondContact OD1-NE 2.96Å; D105-R109 IonicContact OD1-NH2 3.92Å; D105-R109 IonicContact OD2-CZ 3.61Å; D105-R109 IonicContact OD2-NE 3.08Å; D105-R109 PolarHBondContact OD2-NE 3.34Å; D105-R109 IonicContact OD2-NH2 3.55Å; D105-R109 PolarHBondContact OD2-NH2 2.83Å; F106-R109 CarbonylContact O-C 3.59Å; F106-R109 WeakPolarHBondContact O-CA 3.4Å; F106-R109 WeakPolarHBondContact O-CB 3.42Å; F106-R109 PolarHBondContact O-N 3.07Å; A107-R109 PolarHBondContact O-N 3.13Å; A107-R109 VanDerWaalsContact O-N 3.14Å; R109-I111 VanDerWaalsContact C-N 3.32Å; R109-N432 VanDerWaalsContact CZ-O 3.27Å; R109-N432 PolarHBondContact NH1-O 3.35Å; R109-N432 PolarHBondContact NH2-O 3.48Å
110	G	98.4	Very high	98.2	Very high	59 Å²	59	84.6 Å²	84.6	61%	0.608	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	18.3	-176.3	0	0	0	0	0	114.2	F106 A107	F106-G110 PolarHBondContact O-N 3.06Å; A107-G110 PolarHBondContact O-N 2.96Å; A107-G110 VanDerWaalsContact O-N 3.14Å
111	I	98.6	Very high	98.2	Very high	80 Å²	80	88.7 Å²	88.7	41%	0.41	48%	0.476	S	S	.	.			trans	-97.3	98.2	173.1	-56.7	170.7	0	0	0	107.8	F106 R109	F106-I111 CarbonylContact C-O 3.36Å; F106-I111 HydrophobicContact CB-CB 4.04Å; F106-I111 HydrophobicContact CB-CG2 4.32Å; F106-I111 HydrophobicContact CD2-CB 4.26Å; F106-I111 HydrophobicContact CD2-CD1 4.45Å; F106-I111 HydrophobicContact CD2-CG2 3.74Å; F106-I111 HydrophobicContact CE2-CG2 4.47Å; F106-I111 HydrophobicContact CG-CB 4.35Å; F106-I111 HydrophobicContact CG-CD1 4.47Å; F106-I111 HydrophobicContact CG-CG2 4.32Å; F106-I111 PolarHBondContact O-N 3.37Å; R109-I111 VanDerWaalsContact C-N 3.32Å
112	E	97.9	Very high	98.2	Very high	175 Å²	175	93.1 Å²	93.1	82%	0.818	49%	0.491	S	S	*	.			trans	-99.4	128.7	-173.9	-61	-178.2	170.5	0	0	111.3
113	M	97.7	Very high	98.2	Very high	86 Å²	86	89.1 Å²	89.1	42%	0.424	47%	0.473	S	S	.	.			trans	-132	130	175.6	-64.4	170.8	-68.1	0	0	108.3	A101 F106 V116	A101-M113 HydrophobicContact CB-CE 3.73Å; A101-M113 WeakPolarHBondContact O-CE 3.3Å; F106-M113 HydrophobicContact CB-CE 4.19Å; F106-M113 HydrophobicContact CD2-CE 3.53Å; F106-M113 HydrophobicContact CD2-SD 4.49Å; F106-M113 HydrophobicContact CE2-CE 4.33Å; F106-M113 HydrophobicContact CG-CE 4.27Å; M113-V116 HydrophobicContact CB-CG2 4.03Å; M113-V116 HydrophobicContact CE-CG2 3.81Å; M113-V116 HydrophobicContact SD-CG2 4.08Å
114	S	97.3	Very high	98.3	Very high	128 Å²	128	88.7 Å²	88.7	90%	0.895	46%	0.463	S	S	*	.	S	Bend	trans	-66	-45.8	-176	-173.2	0	0	0	0	112.5
115	E	97.5	Very high	98.4	Very high	131 Å²	131	84.5 Å²	84.5	61%	0.612	45%	0.446	S	S	*	.			trans	-140	136.7	176.6	-66.8	-167.8	-165.1	0	0	110.6	R117	E115-R117 IonicContact OE1-NH2 2.69Å; E115-R117 IonicContact OE2-CZ 2.83Å; E115-R117 IonicContact OE2-NE 2.78Å; E115-R117 PolarHBondContact OE2-NE 2.96Å; E115-R117 VanDerWaalsContact OE2-NE 3.08Å; E115-R117 IonicContact OE2-NH2 2.69Å; E115-R117 PolarHBondContact OE2-NH2 3.16Å
116	V	98.4	Very high	98.4	Very high	35 Å²	35	86.6 Å²	86.6	21%	0.212	46%	0.455	C	S	.	.			trans	-119	121.9	173.1	-179.2	0	0	0	0	108.2	Y98 A101 H102 M113	Y98-V116 HydrophobicContact CD2-CG1 4.3Å; Y98-V116 HydrophobicContact CE2-CG1 4.14Å; A101-V116 HydrophobicContact CB-CG1 4.27Å; H102-V116 HydrophobicContact CB-CB 4.34Å; H102-V116 HydrophobicContact CB-CG1 4.05Å; H102-V116 PolarHBondContact CD2-O 3.21Å; M113-V116 HydrophobicContact CB-CG2 4.03Å; M113-V116 HydrophobicContact CE-CG2 3.81Å; M113-V116 HydrophobicContact SD-CG2 4.08Å
117	R	98.4	Very high	98.4	Very high	194 Å²	194	85 Å²	85	73%	0.732	45%	0.448	S	S	*	.			trans	-122.5	141.6	-177.9	-58.3	-64	-176.7	171.8	-0.2	110.5	E115	E115-R117 IonicContact OE1-NH2 2.69Å; E115-R117 IonicContact OE2-CZ 2.83Å; E115-R117 IonicContact OE2-NE 2.78Å; E115-R117 PolarHBondContact OE2-NE 2.96Å; E115-R117 VanDerWaalsContact OE2-NE 3.08Å; E115-R117 IonicContact OE2-NH2 2.69Å; E115-R117 PolarHBondContact OE2-NH2 3.16Å
118	L	98.8	Very high	98.4	Very high	52 Å²	52	84.9 Å²	84.9	27%	0.272	44%	0.443	S	S	.	.			trans	-82	123.2	175.3	177.7	62	0	0	0	110.4	Y98 L120 M123 V212 L235	Y98-L118 HydrophobicContact CD2-CB 4.47Å; Y98-L118 HydrophobicContact CD2-CD1 4.39Å; Y98-L118 HydrophobicContact CE2-CB 3.87Å; L118-L120 HydrophobicContact CG-CB 4.46Å; L118-M123 HydrophobicContact CD1-CE 3.5Å; L118-M123 VanDerWaalsContact CD1-CE 3.5Å; L118-M123 HydrophobicContact CD1-SD 4.34Å; L118-V212 HydrophobicContact CD2-CG2 3.53Å; L118-L235 HydrophobicContact CD1-CD2 3.88Å; L118-L235 HydrophobicContact CD2-CB 4.11Å; L118-L235 HydrophobicContact CD2-CD2 4.05Å; L118-L235 HydrophobicContact CD2-CG 4.47Å
119	N	98.7	Very high	98.4	Very high	101 Å²	101	84.4 Å²	84.4	54%	0.54	44%	0.437	S	S	.	.			trans	-104.5	94.8	162	-176.2	-24.9	0	0	0	108.7	D121 K122 M123	N119-D121 PolarHBondContact OD1-N 3.34Å; N119-K122 HydrophobicContact CB-CB 4.23Å; N119-K122 PolarHBondContact O-N 3.28Å; N119-K122 PolarHBondContact OD1-N 3.08Å; N119-M123 PolarHBondContact O-N 2.88Å; N119-M123 VanDerWaalsContact O-N 3.15Å
120	L	98.8	Very high	98.4	Very high	18 Å²	18	81 Å²	81	9%	0.094	43%	0.43	C	S	.	.	H	α-helix	trans	-66.9	-38.1	-174.7	-174.4	62.3	0	0	0	112.2	L118 K122 M123 M124 W232 L235	L118-L120 HydrophobicContact CG-CB 4.46Å; L120-K122 VanDerWaalsContact C-N 3.33Å; L120-K122 PolarHBondContact O-N 2.96Å; L120-M123 WeakPolarHBondContact O-CB 3.46Å; L120-M123 PolarHBondContact O-N 2.81Å; L120-M124 HydrophobicContact CD1-CE 4.06Å; L120-M124 HydrophobicContact CD1-CG 4.39Å; L120-M124 HydrophobicContact CG-CG 4.34Å; L120-M124 WeakPolarHBondContact O-CB 3.37Å; L120-M124 WeakPolarHBondContact O-CG 2.94Å; L120-M124 PolarHBondContact O-N 3.36Å; L120-W232 HydrophobicContact CD1-CH2 4.18Å; L120-W232 HydrophobicContact CD1-CZ3 4.1Å; L120-W232 HydrophobicContact CD2-CH2 4.31Å; L120-W232 HydrophobicContact CD2-CZ3 4.18Å; L120-L235 HydrophobicContact CD1-CD1 4.32Å
121	D	98.7	Very high	98.4	Very high	117 Å²	117	79.1 Å²	79.1	63%	0.626	41%	0.406	S	S	*	.	H	α-helix	trans	-60.9	-43.4	178.6	-72.1	-25.4	0	0	0	111.1	N119 M123 M124 E125	N119-D121 PolarHBondContact OD1-N 3.34Å; D121-M123 PolarHBondContact O-N 2.78Å; D121-M124 PolarHBondContact O-N 2.78Å; D121-E125 WeakPolarHBondContact O-CB 3.28Å; D121-E125 PolarHBondContact O-N 3.39Å
122	K	98.8	Very high	98.4	Very high	115 Å²	115	83.1 Å²	83.1	50%	0.5	42%	0.421	S	S	.	.	H	α-helix	trans	-67.8	-35.7	177	-168.4	56.7	170	-178.5	0	112.5	N119 L120 E125 Q126	N119-K122 HydrophobicContact CB-CB 4.23Å; N119-K122 PolarHBondContact O-N 3.28Å; N119-K122 PolarHBondContact OD1-N 3.08Å; L120-K122 VanDerWaalsContact C-N 3.33Å; L120-K122 PolarHBondContact O-N 2.96Å; K122-E125 HydrophobicContact CD-CB 4.45Å; K122-E125 VanDerWaalsContact CD-OE2 3.3Å; K122-E125 WeakPolarHBondContact CD-OE2 3.43Å; K122-E125 IonicContact NZ-OE1 2.8Å; K122-E125 PolarHBondContact NZ-OE1 2.91Å; K122-E125 IonicContact NZ-OE2 3.42Å; K122-E125 PolarHBondContact NZ-OE2 3.39Å; K122-E125 PolarHBondContact O-N 3.28Å; K122-Q126 PolarHBondContact O-N 3.46Å
123	M	98.8	Very high	98.5	Very high	23 Å²	23	78 Å²	78	11%	0.113	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-42.2	173.8	-174	178.4	-70	0	0	111.6	L91 N94 L118 N119 L120 D121 Q126 K127 L235	L91-M123 HydrophobicContact CD2-CG 4Å; L91-M123 HydrophobicContact CD2-SD 4.33Å; N94-M123 HydrophobicContact CB-CE 3.98Å; N94-M123 HydrophobicContact CB-CG 3.77Å; N94-M123 HydrophobicContact CB-SD 3.94Å; L118-M123 HydrophobicContact CD1-CE 3.5Å; L118-M123 VanDerWaalsContact CD1-CE 3.5Å; L118-M123 HydrophobicContact CD1-SD 4.34Å; N119-M123 PolarHBondContact O-N 2.88Å; N119-M123 VanDerWaalsContact O-N 3.15Å; L120-M123 WeakPolarHBondContact O-CB 3.46Å; L120-M123 PolarHBondContact O-N 2.81Å; D121-M123 PolarHBondContact O-N 2.78Å; M123-Q126 PolarHBondContact O-N 2.79Å; M123-K127 PolarHBondContact O-N 2.93Å; M123-L235 HydrophobicContact CE-CD2 3.83Å; M123-L235 HydrophobicContact SD-CD1 4.12Å; M123-L235 HydrophobicContact SD-CD2 4Å
124	M	98.7	Very high	98.5	Very high	22 Å²	22	77.9 Å²	77.9	11%	0.108	41%	0.409	C	S	.	.	H	α-helix	trans	-68.4	-34.4	175.6	-71.5	-66	179.8	0	0	112.6	L91 L120 D121 K127 S128 L207 W232	L91-M124 HydrophobicContact CD1-CE 4.16Å; L91-M124 HydrophobicContact CD1-SD 4.3Å; L91-M124 HydrophobicContact CD2-CE 4.41Å; L91-M124 HydrophobicContact CD2-SD 4.12Å; L120-M124 HydrophobicContact CD1-CE 4.06Å; L120-M124 HydrophobicContact CD1-CG 4.39Å; L120-M124 HydrophobicContact CG-CG 4.34Å; L120-M124 WeakPolarHBondContact O-CB 3.37Å; L120-M124 WeakPolarHBondContact O-CG 2.94Å; L120-M124 PolarHBondContact O-N 3.36Å; D121-M124 PolarHBondContact O-N 2.78Å; M124-K127 HydrophobicContact SD-CD 4.4Å; M124-S128 WeakPolarHBondContact O-CB 3.45Å; M124-S128 PolarHBondContact O-N 3.19Å; M124-S128 PolarHBondContact O-OG 3.22Å; M124-L207 VanDerWaalsContact SD-O 3.38Å; M124-W232 HydrophobicContact CE-CH2 3.54Å; M124-W232 HydrophobicContact CE-CZ2 3.86Å
125	E	98.7	Very high	98.5	Very high	96 Å²	96	72.5 Å²	72.5	45%	0.449	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-44.2	172.9	-171.2	-160	126.3	0	0	111.2	D121 K122 K127 S128 T129	D121-E125 WeakPolarHBondContact O-CB 3.28Å; D121-E125 PolarHBondContact O-N 3.39Å; K122-E125 HydrophobicContact CD-CB 4.45Å; K122-E125 VanDerWaalsContact CD-OE2 3.3Å; K122-E125 WeakPolarHBondContact CD-OE2 3.43Å; K122-E125 IonicContact NZ-OE1 2.8Å; K122-E125 PolarHBondContact NZ-OE1 2.91Å; K122-E125 IonicContact NZ-OE2 3.42Å; K122-E125 PolarHBondContact NZ-OE2 3.39Å; K122-E125 PolarHBondContact O-N 3.28Å; E125-K127 PolarHBondContact O-N 3.04Å; E125-S128 PolarHBondContact O-N 2.96Å; E125-T129 WeakPolarHBondContact O-CB 3.35Å; E125-T129 PolarHBondContact O-N 3.45Å; E125-T129 PolarHBondContact O-OG1 3.36Å
126	Q	98.7	Very high	98.6	Very high	84 Å²	84	68.2 Å²	68.2	39%	0.393	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-47	177.2	-172.4	-77.2	-23.9	0	0	111	N94 K122 M123 S128 T129 A130	N94-Q126 PolarHBondContact ND2-OE1 2.71Å; K122-Q126 PolarHBondContact O-N 3.46Å; M123-Q126 PolarHBondContact O-N 2.79Å; Q126-S128 VanDerWaalsContact C-N 3.35Å; Q126-S128 PolarHBondContact O-N 3.5Å; Q126-T129 WeakPolarHBondContact O-CB 3.32Å; Q126-T129 PolarHBondContact O-N 3.21Å; Q126-A130 PolarHBondContact O-N 2.62Å; Q126-A130 VanDerWaalsContact O-N 3.15Å
127	K	98.7	Very high	98.6	Very high	16 Å²	16	67.9 Å²	67.9	7%	0.07	37%	0.365	C	S	.	.	H	α-helix	trans	-53.9	-51.6	172.9	178.8	-150.9	72.1	170.8	0	111.1	P87 A90 L91 M123 M124 E125 T129 A130 V131 L207 S208	P87-K127 HydrophobicContact CB-CD 3.68Å; P87-K127 HydrophobicContact CB-CG 3.81Å; A90-K127 HydrophobicContact CB-CB 4.14Å; A90-K127 HydrophobicContact CB-CG 4.09Å; L91-K127 HydrophobicContact CD1-CD 4.14Å; L91-K127 HydrophobicContact CD2-CB 4.32Å; L91-K127 HydrophobicContact CD2-CD 4.37Å; L91-K127 HydrophobicContact CG-CD 4.07Å; L91-K127 HydrophobicContact CG-CG 4.36Å; M123-K127 PolarHBondContact O-N 2.93Å; M124-K127 HydrophobicContact SD-CD 4.4Å; E125-K127 PolarHBondContact O-N 3.04Å; K127-T129 VanDerWaalsContact C-N 3.29Å; K127-T129 PolarHBondContact O-N 3.3Å; K127-A130 PolarHBondContact O-N 3.43Å; K127-V131 WeakPolarHBondContact O-CG2 3.36Å; K127-V131 PolarHBondContact O-N 3.41Å; K127-V131 VanDerWaalsContact O-N 3.14Å; K127-L207 PolarHBondContact NZ-O 3.19Å; K127-S208 PolarHBondContact NZ-OG 3.42Å
128	S	98.5	Very high	98.6	Very high	59 Å²	59	59.1 Å²	59.1	41%	0.413	33%	0.333	S	S	.	.	H	α-helix	trans	-65.6	-32.6	-176.6	-54.1	0	0	0	0	112.4	M124 E125 Q126 V131 K132	M124-S128 WeakPolarHBondContact O-CB 3.45Å; M124-S128 PolarHBondContact O-N 3.19Å; M124-S128 PolarHBondContact O-OG 3.22Å; E125-S128 PolarHBondContact O-N 2.96Å; Q126-S128 VanDerWaalsContact C-N 3.35Å; Q126-S128 PolarHBondContact O-N 3.5Å; S128-V131 PolarHBondContact O-N 3.06Å; S128-K132 WeakPolarHBondContact O-CB 3.38Å; S128-K132 PolarHBondContact O-N 3.5Å
129	T	98.7	Very high	98.6	Very high	81 Å²	81	58.5 Å²	58.5	50%	0.497	34%	0.335	S	S	.	.	H	α-helix	trans	-64.6	-45.2	175.4	-60.9	0	0	0	0	111.3	E125 Q126 K127 K132 A133	E125-T129 WeakPolarHBondContact O-CB 3.35Å; E125-T129 PolarHBondContact O-N 3.45Å; E125-T129 PolarHBondContact O-OG1 3.36Å; Q126-T129 WeakPolarHBondContact O-CB 3.32Å; Q126-T129 PolarHBondContact O-N 3.21Å; K127-T129 VanDerWaalsContact C-N 3.29Å; K127-T129 PolarHBondContact O-N 3.3Å; T129-K132 PolarHBondContact O-N 2.83Å; T129-A133 WeakPolarHBondContact O-CB 3.42Å; T129-A133 PolarHBondContact O-N 2.91Å
130	A	98.5	Very high	98.5	Very high	29 Å²	29	59.3 Å²	59.3	24%	0.24	34%	0.336	C	S	.	.	H	α-helix	trans	-62	-45.6	176.2	0	0	0	0	0	111.8	Q126 K127 K132 A133 L134	Q126-A130 PolarHBondContact O-N 2.62Å; Q126-A130 VanDerWaalsContact O-N 3.15Å; K127-A130 PolarHBondContact O-N 3.43Å; A130-K132 PolarHBondContact O-N 2.83Å; A130-A133 PolarHBondContact O-N 3.46Å; A130-L134 WeakPolarHBondContact O-CG 3.42Å; A130-L134 PolarHBondContact O-N 2.95Å
131	V	98.5	Very high	98.5	Very high	19 Å²	19	61.6 Å²	61.6	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-47	176.2	174.3	0	0	0	0	111.2	L81 I86 P87 K127 S128 A133 L134 T135	L81-V131 WeakPolarHBondContact O-CG2 3.33Å; I86-V131 HydrophobicContact CG2-CG2 4.05Å; P87-V131 HydrophobicContact CB-CG2 4.37Å; K127-V131 WeakPolarHBondContact O-CG2 3.36Å; K127-V131 PolarHBondContact O-N 3.41Å; K127-V131 VanDerWaalsContact O-N 3.14Å; S128-V131 PolarHBondContact O-N 3.06Å; V131-A133 PolarHBondContact O-N 2.9Å; V131-L134 PolarHBondContact O-N 3.23Å; V131-T135 HydrophobicContact CG1-CG2 4.17Å; V131-T135 WeakPolarHBondContact O-CB 3.3Å; V131-T135 VanDerWaalsContact O-CG2 3.25Å; V131-T135 WeakPolarHBondContact O-CG2 3.3Å; V131-T135 PolarHBondContact O-N 3.46Å; V131-T135 PolarHBondContact O-OG1 2.73Å
132	K	98.5	Very high	98.5	Very high	165 Å²	165	56.2 Å²	56.2	72%	0.717	32%	0.318	S	S	*	.	H	α-helix	trans	-61.7	-42.2	178.2	-175.2	177.9	179	-179.8	0	112.7	S128 T129 A130 T135 G136	S128-K132 WeakPolarHBondContact O-CB 3.38Å; S128-K132 PolarHBondContact O-N 3.5Å; T129-K132 PolarHBondContact O-N 2.83Å; A130-K132 PolarHBondContact O-N 2.83Å; K132-T135 WeakPolarHBondContact CA-OG1 3.44Å; K132-T135 PolarHBondContact O-OG1 2.87Å; K132-G136 PolarHBondContact O-N 3.46Å; K132-G136 VanDerWaalsContact O-N 3.08Å
133	A	98.5	Very high	98.5	Very high	66 Å²	66	58.9 Å²	58.9	55%	0.545	33%	0.33	S	S	.	.	H	α-helix	trans	-63	-47.3	178.9	0	0	0	0	0	111.3	T129 A130 V131 G136 G137	T129-A133 WeakPolarHBondContact O-CB 3.42Å; T129-A133 PolarHBondContact O-N 2.91Å; A130-A133 PolarHBondContact O-N 3.46Å; V131-A133 PolarHBondContact O-N 2.9Å; A133-G136 PolarHBondContact O-N 2.65Å; A133-G137 PolarHBondContact O-N 3.2Å
134	L	98.2	Very high	98.5	Very high	85 Å²	85	63.8 Å²	63.8	45%	0.445	35%	0.353	S	S	.	.	H	α-helix	trans	-72.5	-39.2	-177.3	-68.8	166.8	0	0	0	112.7	L81 I86 A130 V131 G136 G137 I138	L81-L134 HydrophobicContact CD1-CB 3.64Å; L81-L134 HydrophobicContact CD1-CD1 3.85Å; L81-L134 HydrophobicContact CD1-CG 4.39Å; L81-L134 HydrophobicContact CD2-CB 4.08Å; L81-L134 HydrophobicContact CG-CB 4.34Å; I86-L134 HydrophobicContact CD1-CD1 4.35Å; I86-L134 HydrophobicContact CG1-CD1 4.09Å; I86-L134 HydrophobicContact CG2-CD1 3.79Å; A130-L134 WeakPolarHBondContact O-CG 3.42Å; A130-L134 PolarHBondContact O-N 2.95Å; V131-L134 PolarHBondContact O-N 3.23Å; L134-G136 VanDerWaalsContact C-N 3.31Å; L134-G136 PolarHBondContact O-N 3.42Å; L134-G137 WeakPolarHBondContact O-CA 3.21Å; L134-G137 PolarHBondContact O-N 3.16Å; L134-I138 PolarHBondContact O-N 3.3Å
135	T	98.1	Very high	98.5	Very high	15 Å²	15	64.2 Å²	64.2	9%	0.092	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-41.4	173.8	49	0	0	0	0	111.3	L76 L81 N82 V131 K132 G137 I138 A139	L76-T135 WeakPolarHBondContact O-CG2 3.48Å; L81-T135 HydrophobicContact CD2-CG2 3.62Å; L81-T135 HydrophobicContact CG-CG2 3.84Å; N82-T135 WeakPolarHBondContact OD1-CG2 3Å; V131-T135 HydrophobicContact CG1-CG2 4.17Å; V131-T135 WeakPolarHBondContact O-CB 3.3Å; V131-T135 VanDerWaalsContact O-CG2 3.25Å; V131-T135 WeakPolarHBondContact O-CG2 3.3Å; V131-T135 PolarHBondContact O-N 3.46Å; V131-T135 PolarHBondContact O-OG1 2.73Å; K132-T135 WeakPolarHBondContact CA-OG1 3.44Å; K132-T135 PolarHBondContact O-OG1 2.87Å; T135-G137 VanDerWaalsContact C-N 3.3Å; T135-G137 PolarHBondContact O-N 2.95Å; T135-I138 PolarHBondContact O-N 3.49Å; T135-A139 PolarHBondContact O-N 3.37Å
136	G	98.2	Very high	98.5	Very high	40 Å²	40	68.1 Å²	68.1	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-61.7	-37	170.8	0	0	0	0	0	112.8	K132 A133 L134 A139 H140	K132-G136 PolarHBondContact O-N 3.46Å; K132-G136 VanDerWaalsContact O-N 3.08Å; A133-G136 PolarHBondContact O-N 2.65Å; L134-G136 VanDerWaalsContact C-N 3.31Å; L134-G136 PolarHBondContact O-N 3.42Å; G136-A139 PolarHBondContact O-N 3.45Å; G136-H140 PolarHBondContact O-N 3.06Å
137	G	98.4	Very high	98.5	Very high	29 Å²	29	64.6 Å²	64.6	30%	0.299	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-46.4	172.8	0	0	0	0	0	113	A133 L134 T135 A139 H140 L141	A133-G137 PolarHBondContact O-N 3.2Å; L134-G137 WeakPolarHBondContact O-CA 3.21Å; L134-G137 PolarHBondContact O-N 3.16Å; T135-G137 VanDerWaalsContact C-N 3.3Å; T135-G137 PolarHBondContact O-N 2.95Å; G137-A139 PolarHBondContact O-N 2.69Å; G137-H140 WeakPolarHBondContact O-CB 3.26Å; G137-H140 PolarHBondContact O-N 2.91Å; G137-L141 WeakPolarHBondContact O-CG 3.23Å; G137-L141 PolarHBondContact O-N 2.88Å
138	I	98.5	Very high	98.5	Very high	10 Å²	10	66.6 Å²	66.6	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-62.5	-43.7	176.4	-60.8	178.5	0	0	0	111.1	Y54 L76 L81 L134 T135 H140 L141 F142	Y54-I138 HydrophobicContact CD1-CD1 3.79Å; Y54-I138 HydrophobicContact CD2-CD1 4.25Å; Y54-I138 HydrophobicContact CD2-CG1 4.38Å; Y54-I138 HydrophobicContact CD2-CG2 4.09Å; Y54-I138 HydrophobicContact CE1-CD1 3.81Å; Y54-I138 HydrophobicContact CE2-CD1 4.3Å; Y54-I138 HydrophobicContact CE2-CG1 4.41Å; Y54-I138 HydrophobicContact CG-CD1 4.06Å; Y54-I138 HydrophobicContact CG-CG2 4.06Å; L76-I138 HydrophobicContact CB-CB 4.24Å; L76-I138 HydrophobicContact CB-CG2 3.81Å; L76-I138 HydrophobicContact CD1-CB 4.46Å; L76-I138 HydrophobicContact CD1-CG2 3.77Å; L76-I138 HydrophobicContact CG-CG2 4.43Å; L81-I138 HydrophobicContact CD2-CD1 3.43Å; L81-I138 VanDerWaalsContact CD2-CD1 3.43Å; L81-I138 HydrophobicContact CD2-CG1 4.26Å; L134-I138 PolarHBondContact O-N 3.3Å; T135-I138 PolarHBondContact O-N 3.49Å; I138-H140 PolarHBondContact O-N 2.74Å; I138-L141 PolarHBondContact O-N 2.79Å; I138-L141 VanDerWaalsContact O-N 3.13Å; I138-F142 HydrophobicContact CG2-CD1 4.27Å; I138-F142 HydrophobicContact CG2-CE1 4.08Å; I138-F142 HydrophobicContact CG2-CZ 4.39Å; I138-F142 PolarHBondContact O-N 2.94Å
139	A	98.5	Very high	98.5	Very high	39 Å²	39	67.5 Å²	67.5	32%	0.322	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-34.8	176.9	0	0	0	0	0	112.3	L76 T135 G136 G137 K143	L76-A139 HydrophobicContact CD1-CB 4.32Å; T135-A139 PolarHBondContact O-N 3.37Å; G136-A139 PolarHBondContact O-N 3.45Å; G137-A139 PolarHBondContact O-N 2.69Å; A139-K143 WeakPolarHBondContact O-CG 3.5Å; A139-K143 PolarHBondContact O-N 2.67Å
140	H	98.6	Very high	98.5	Very high	118 Å²	118	64.3 Å²	64.3	55%	0.546	35%	0.346	S	S	.	.	H	α-helix	trans	-67	-46.7	171.7	178.2	78.9	0	0	0	111.9	G136 G137 I138 F142 K143 Q144	G136-H140 PolarHBondContact O-N 3.06Å; G137-H140 WeakPolarHBondContact O-CB 3.26Å; G137-H140 PolarHBondContact O-N 2.91Å; I138-H140 PolarHBondContact O-N 2.74Å; H140-F142 VanDerWaalsContact C-N 3.31Å; H140-F142 PolarHBondContact O-N 2.98Å; H140-K143 PolarHBondContact O-N 2.86Å; H140-K143 VanDerWaalsContact O-N 3.15Å; H140-Q144 PolarHBondContact O-N 2.83Å
141	L	98.6	Very high	98.5	Very high	65 Å²	65	66.7 Å²	66.7	34%	0.34	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-40.6	178.2	-71.9	169.6	0	0	0	112.2	I58 G137 I138 Q144 N145	I58-L141 HydrophobicContact CD1-CB 3.84Å; I58-L141 HydrophobicContact CD1-CD1 4.25Å; G137-L141 WeakPolarHBondContact O-CG 3.23Å; G137-L141 PolarHBondContact O-N 2.88Å; I138-L141 PolarHBondContact O-N 2.79Å; I138-L141 VanDerWaalsContact O-N 3.13Å; L141-Q144 PolarHBondContact O-N 2.82Å; L141-N145 WeakPolarHBondContact O-CB 3.4Å; L141-N145 PolarHBondContact O-N 3.17Å; L141-N145 PolarHBondContact O-ND2 2.82Å
142	F	98.7	Very high	98.5	Very high	4 Å²	4	66 Å²	66	2%	0.018	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-46.8	174.9	-83.9	15.9	0	0	0	111.9	A57 I58 C69 L76 I138 H140 Q144 N145 K146 V147 H149	A57-F142 HydrophobicContact CB-CE1 4.28Å; A57-F142 HydrophobicContact CB-CZ 4.21Å; I58-F142 HydrophobicContact CD1-CD1 4.19Å; I58-F142 HydrophobicContact CD1-CE1 4.2Å; I58-F142 HydrophobicContact CG1-CD1 3.88Å; I58-F142 HydrophobicContact CG1-CE1 3.95Å; C69-F142 HydrophobicContact CB-CE2 3.64Å; C69-F142 HydrophobicContact CB-CZ 3.93Å; L76-F142 HydrophobicContact CD1-CD2 3.67Å; L76-F142 HydrophobicContact CD1-CE2 3.73Å; L76-F142 HydrophobicContact CD1-CG 4.32Å; L76-F142 HydrophobicContact CD1-CZ 4.44Å; L76-F142 HydrophobicContact CD2-CE2 4.04Å; I138-F142 HydrophobicContact CG2-CD1 4.27Å; I138-F142 HydrophobicContact CG2-CE1 4.08Å; I138-F142 HydrophobicContact CG2-CZ 4.39Å; I138-F142 PolarHBondContact O-N 2.94Å; H140-F142 VanDerWaalsContact C-N 3.31Å; H140-F142 PolarHBondContact O-N 2.98Å; F142-Q144 VanDerWaalsContact C-N 3.35Å; F142-Q144 PolarHBondContact O-N 3.29Å; F142-N145 CarbonylContact O-C 3.49Å; F142-N145 PolarHBondContact O-N 2.85Å; F142-K146 PolarHBondContact O-N 2.97Å; F142-V147 HydrophobicContact CB-CB 4.01Å; F142-V147 HydrophobicContact CB-CG1 4.49Å; F142-V147 HydrophobicContact CD1-CB 4.18Å; F142-V147 HydrophobicContact CD1-CG1 4.22Å; F142-V147 HydrophobicContact CD1-CG2 4.41Å; F142-V147 HydrophobicContact CD2-CB 4.31Å; F142-V147 HydrophobicContact CD2-CG1 3.87Å; F142-V147 HydrophobicContact CE1-CG1 4.38Å; F142-V147 HydrophobicContact CE2-CG1 4.07Å; F142-V147 HydrophobicContact CG-CB 3.93Å; F142-V147 HydrophobicContact CG-CG1 3.95Å; F142-V147 HydrophobicContact CZ-CG1 4.31Å; F142-V147 PolarHBondContact O-N 3.43Å; F142-H149 HydrophobicContact CD2-CB 4.19Å
143	K	98.4	Very high	98.5	Very high	171 Å²	171	61.3 Å²	61.3	74%	0.743	33%	0.33	S	S	*	.	H	α-helix	trans	-61.1	-43.8	176.5	-70	174.2	-177.7	179.2	0	111.7	A139 H140 N145 K146	A139-K143 WeakPolarHBondContact O-CG 3.5Å; A139-K143 PolarHBondContact O-N 2.67Å; H140-K143 PolarHBondContact O-N 2.86Å; H140-K143 VanDerWaalsContact O-N 3.15Å; K143-N145 VanDerWaalsContact C-N 3.34Å; K143-N145 PolarHBondContact O-N 2.86Å; K143-K146 PolarHBondContact O-N 2.81Å
144	Q	98.6	Very high	98.5	Very high	126 Å²	126	58.4 Å²	58.4	59%	0.589	31%	0.307	S	S	*	.	H	α-helix	trans	-61.6	-42.2	179.3	-173.3	-179.8	25.2	0	0	111.9	H140 L141 F142 K146	H140-Q144 PolarHBondContact O-N 2.83Å; L141-Q144 PolarHBondContact O-N 2.82Å; F142-Q144 VanDerWaalsContact C-N 3.35Å; F142-Q144 PolarHBondContact O-N 3.29Å; Q144-K146 VanDerWaalsContact C-N 3.31Å; Q144-K146 PolarHBondContact O-N 2.61Å
145	N	98.7	Very high	98.5	Very high	32 Å²	32	57.9 Å²	57.9	17%	0.171	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	8.7	179.5	-66.6	-87.3	0	0	0	113.2	I58 A61 Q62 L141 F142 K143 V147	I58-N145 HydrophobicContact CG2-CB 4.49Å; A61-N145 HydrophobicContact CB-CB 4.4Å; A61-N145 VanDerWaalsContact CB-O 3.29Å; A61-N145 WeakPolarHBondContact CB-O 3.35Å; Q62-N145 WeakPolarHBondContact CG-OD1 3.3Å; Q62-N145 PolarHBondContact NE2-OD1 2.89Å; L141-N145 WeakPolarHBondContact O-CB 3.4Å; L141-N145 PolarHBondContact O-N 3.17Å; L141-N145 PolarHBondContact O-ND2 2.82Å; F142-N145 CarbonylContact O-C 3.49Å; F142-N145 PolarHBondContact O-N 2.85Å; K143-N145 VanDerWaalsContact C-N 3.34Å; K143-N145 PolarHBondContact O-N 2.86Å; N145-V147 HydrophobicContact CB-CG2 4.28Å; N145-V147 PolarHBondContact O-N 3.09Å
146	K	98.5	Very high	98.6	Very high	178 Å²	178	57.4 Å²	57.4	77%	0.774	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	29.6	-179.4	-48.8	-177.4	-169	-65	0	114.3	F142 K143 Q144	F142-K146 PolarHBondContact O-N 2.97Å; K143-K146 PolarHBondContact O-N 2.81Å; Q144-K146 VanDerWaalsContact C-N 3.31Å; Q144-K146 PolarHBondContact O-N 2.61Å
147	V	98.8	Very high	98.6	Very high	10 Å²	10	58.7 Å²	58.7	6%	0.061	30%	0.297	C	S	.	.			trans	-75.2	125.9	171.4	177.9	0	0	0	0	108.8	A57 A61 C69 F142 N145 H149	A57-V147 HydrophobicContact CB-CG1 4.02Å; A57-V147 HydrophobicContact CB-CG2 4.47Å; A57-V147 WeakPolarHBondContact O-CG2 3.2Å; A61-V147 HydrophobicContact CB-CG2 3.79Å; C69-V147 HydrophobicContact CB-CG1 3.95Å; F142-V147 HydrophobicContact CB-CB 4.01Å; F142-V147 HydrophobicContact CB-CG1 4.49Å; F142-V147 HydrophobicContact CD1-CB 4.18Å; F142-V147 HydrophobicContact CD1-CG1 4.22Å; F142-V147 HydrophobicContact CD1-CG2 4.41Å; F142-V147 HydrophobicContact CD2-CB 4.31Å; F142-V147 HydrophobicContact CD2-CG1 3.87Å; F142-V147 HydrophobicContact CE1-CG1 4.38Å; F142-V147 HydrophobicContact CE2-CG1 4.07Å; F142-V147 HydrophobicContact CG-CB 3.93Å; F142-V147 HydrophobicContact CG-CG1 3.95Å; F142-V147 HydrophobicContact CZ-CG1 4.31Å; F142-V147 PolarHBondContact O-N 3.43Å; N145-V147 HydrophobicContact CB-CG2 4.28Å; N145-V147 PolarHBondContact O-N 3.09Å; V147-H149 PolarHBondContact O-N 3.43Å
148	V	98.7	Very high	98.5	Very high	57 Å²	57	58.3 Å²	58.3	35%	0.345	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	114.4	176.1	179	0	0	0	0	108.9	I40 T67 V68 C69 V150	I40-V148 HydrophobicContact CD1-CG1 4.48Å; T67-V148 PolarHBondContact O-N 3.19Å; V68-V148 CarbonylContact C-O 3.25Å; V68-V148 WeakPolarHBondContact CA-O 3.47Å; V68-V148 HydrophobicContact CG2-CB 4.09Å; V68-V148 HydrophobicContact CG2-CG1 4.49Å; C69-V148 PolarHBondContact N-O 3.24Å; V148-V150 HydrophobicContact CG1-CG2 4.27Å
149	H	98.6	Very high	98.5	Very high	79 Å²	79	64.1 Å²	64.1	37%	0.366	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.3	172.2	174.3	-143.5	0	0	0	110.5	C69 F142 V147	C69-H149 WeakPolarHBondContact O-CA 3.42Å; F142-H149 HydrophobicContact CD2-CB 4.19Å; V147-H149 PolarHBondContact O-N 3.43Å
150	V	98.6	Very high	98.5	Very high	13 Å²	13	66.1 Å²	66.1	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.6	171.2	177.6	0	0	0	0	108.7	I40 V68 C69 I70 E71 V148 G152 A164 Q172	I40-V150 HydrophobicContact CD1-CG2 4.18Å; V68-V150 HydrophobicContact CG1-CB 4.46Å; V68-V150 HydrophobicContact CG1-CG2 3.76Å; C69-V150 PolarHBondContact O-N 3.32Å; I70-V150 WeakPolarHBondContact CA-O 3.13Å; I70-V150 HydrophobicContact CG1-CB 4.24Å; E71-V150 PolarHBondContact N-O 2.96Å; E71-V150 VanDerWaalsContact N-O 3.15Å; V148-V150 HydrophobicContact CG1-CG2 4.27Å; V150-G152 PolarHBondContact O-N 3.45Å; V150-A164 HydrophobicContact CG1-CB 3.67Å; V150-Q172 HydrophobicContact CG1-CB 4.01Å; V150-Q172 HydrophobicContact CG1-CG 3.97Å; V150-Q172 HydrophobicContact CG2-CG 4.34Å
151	N	98.3	Very high	98.5	Very high	80 Å²	80	63.5 Å²	63.5	43%	0.428	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118	174.5	-176	4.2	0	0	0	109.8	E71 K166	E71-N151 CarbonylContact O-C 3.15Å; E71-N151 VanDerWaalsContact O-CA 3.31Å; E71-N151 WeakPolarHBondContact O-CA 3.17Å; E71-N151 PolarHBondContact O-OD1 3.09Å; E71-N151 VanDerWaalsContact O-OD1 3.13Å; N151-K166 WeakPolarHBondContact O-CG 3.25Å
152	G	98.4	Very high	98.5	Very high	3 Å²	3	60.4 Å²	60.4	3%	0.031	30%	0.295	C	S	.	.	S	Bend	trans	164.2	167.7	178.9	0	0	0	0	0	112.8	I70 E71 K72 V150 G154 T165	I70-G152 VanDerWaalsContact CG2-O 3.22Å; I70-G152 WeakPolarHBondContact CG2-O 3.33Å; E71-G152 CarbonylContact C-O 3.57Å; E71-G152 PolarHBondContact O-N 2.83Å; K72-G152 WeakPolarHBondContact CA-O 3.49Å; K72-G152 PolarHBondContact N-O 3.33Å; V150-G152 PolarHBondContact O-N 3.45Å; G152-G154 PolarHBondContact O-N 3.03Å; G152-T165 CarbonylContact C-O 3.46Å; G152-T165 WeakPolarHBondContact CA-O 3.18Å
153	Y	98.7	Very high	98.5	Very high	67 Å²	67	61.2 Å²	61.2	26%	0.263	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	107.6	175.5	-158.8	-77.3	0	0	0	110.4	K72 A164 T165 F318 K320 N321	K72-Y153 HydrophobicContact CB-CD2 4.03Å; K72-Y153 HydrophobicContact CD-CD2 3.56Å; K72-Y153 HydrophobicContact CD-CE2 3.54Å; K72-Y153 HydrophobicContact CG-CD2 4.41Å; Y153-A164 WeakPolarHBondContact O-CA 3.45Å; Y153-T165 PolarHBondContact N-O 2.94Å; Y153-T165 PolarHBondContact O-N 3.22Å; Y153-F318 WeakPolarHBondContact OH-CZ 3.42Å; Y153-K320 PolarHBondContact OH-O 3.36Å; Y153-N321 HydrophobicContact CE1-CB 3.89Å
154	G	98.5	Very high	98.5	Very high	6 Å²	6	53.1 Å²	53.1	6%	0.062	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	125.2	178.2	0	0	0	0	0	112.7	G152 T163	G152-G154 PolarHBondContact O-N 3.03Å; G154-T163 WeakPolarHBondContact CA-O 3.21Å
155	K	98.8	Very high	98.5	Very high	74 Å²	74	49.9 Å²	49.9	32%	0.322	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.5	167.1	-179.4	174.9	-177.7	175.7	0	109.1	T157 V162 T163 E326	K155-T157 HydrophobicContact CG-CG2 4.42Å; K155-T157 PolarHBondContact O-N 3.05Å; K155-V162 WeakPolarHBondContact O-CA 3.48Å; K155-V162 WeakPolarHBondContact O-CG1 3.15Å; K155-T163 PolarHBondContact N-O 3.11Å; K155-T163 PolarHBondContact O-N 2.93Å; K155-E326 WeakPolarHBondContact CE-OE1 3.3Å; K155-E326 IonicContact NZ-OE1 3.46Å; K155-E326 PolarHBondContact NZ-OE1 3.18Å
156	I	98.8	Very high	98.4	Very high	4 Å²	4	52 Å²	52	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	113.5	173.4	-50.5	173.2	0	0	0	107.7	I47 G158 I179 I181 L322 L324 L327 I350	I47-I156 HydrophobicContact CD1-CD1 4.32Å; I47-I156 HydrophobicContact CD1-CG1 3.75Å; I156-G158 VanDerWaalsContact CG2-O 3.23Å; I156-G158 WeakPolarHBondContact CG2-O 3.15Å; I156-I179 HydrophobicContact CD1-CG2 3.99Å; I156-I179 HydrophobicContact CG1-CG2 4.27Å; I156-I179 HydrophobicContact CG2-CD1 3.64Å; I156-I181 HydrophobicContact CD1-CD1 3.86Å; I156-I181 HydrophobicContact CD1-CG1 4.08Å; I156-L322 HydrophobicContact CD1-CG 4.42Å; I156-L322 HydrophobicContact CG1-CD1 4.43Å; I156-L322 PolarHBondContact N-O 3.37Å; I156-L324 HydrophobicContact CD1-CD2 4.33Å; I156-L327 HydrophobicContact CB-CD1 3.95Å; I156-L327 HydrophobicContact CD1-CD1 4.48Å; I156-L327 HydrophobicContact CG2-CD1 3.51Å; I156-I350 HydrophobicContact CD1-CG2 4.31Å; I156-I350 HydrophobicContact CG2-CD1 4.35Å
157	T	98.2	Very high	98.3	Very high	67 Å²	67	49.1 Å²	49.1	41%	0.411	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-7.7	-175.5	50.1	0	0	0	0	112.9	K155 Q161 T163	K155-T157 HydrophobicContact CG-CG2 4.42Å; K155-T157 PolarHBondContact O-N 3.05Å; T157-Q161 PolarHBondContact N-O 2.83Å; T157-Q161 WeakPolarHBondContact OG1-CG 3.36Å; T157-Q161 PolarHBondContact OG1-O 2.84Å; T157-Q161 PolarHBondContact OG1-OE1 3.4Å; T157-T163 WeakPolarHBondContact CG2-OG1 3.46Å; T157-T163 PolarHBondContact OG1-OG1 3Å
158	G	97.5	Very high	98.1	Very high	21 Å²	21	55.1 Å²	55.1	22%	0.216	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	175.6	171.7	0	0	0	0	0	111.2	I156 N160 Q161	I156-G158 VanDerWaalsContact CG2-O 3.23Å; I156-G158 WeakPolarHBondContact CG2-O 3.15Å; G158-N160 PolarHBondContact O-N 2.92Å; G158-N160 VanDerWaalsContact O-N 3.08Å; G158-Q161 PolarHBondContact N-O 2.98Å; G158-Q161 PolarHBondContact O-N 2.99Å
159	K	97.5	Very high	98	Very high	133 Å²	133	54.8 Å²	54.8	58%	0.578	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.1	179.2	-70.3	-176.2	177.4	177.7	0	113.3	I347 N349	K159-I347 HydrophobicContact CG-CG2 4.41Å; K159-N349 PolarHBondContact O-ND2 3.18Å
160	N	98.6	Very high	97.8	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.9	24.9	-176.3	-68	97.3	0	0	0	111.8	G158 D175 T176 K177 N349	G158-N160 PolarHBondContact O-N 2.92Å; G158-N160 VanDerWaalsContact O-N 3.08Å; N160-D175 CarbonylContact O-C 3.53Å; N160-D175 WeakPolarHBondContact O-CA 2.99Å; N160-T176 CarbonylContact C-O 3.58Å; N160-T176 WeakPolarHBondContact CA-O 3.37Å; N160-T176 WeakPolarHBondContact CB-O 3.34Å; N160-T176 PolarHBondContact ND2-O 2.97Å; N160-T176 PolarHBondContact O-N 2.99Å; N160-K177 PolarHBondContact ND2-O 3.38Å; N160-K177 VanDerWaalsContact ND2-O 3.16Å; N160-N349 PolarHBondContact ND2-ND2 3.33Å
161	Q	98.6	Very high	97.8	Very high	63 Å²	63	53.6 Å²	53.6	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	134.6	-176.8	-167.9	-179.8	87.6	0	0	112	T157 G158 V173 I174 D175	T157-Q161 PolarHBondContact N-O 2.83Å; T157-Q161 WeakPolarHBondContact OG1-CG 3.36Å; T157-Q161 PolarHBondContact OG1-O 2.84Å; T157-Q161 PolarHBondContact OG1-OE1 3.4Å; G158-Q161 PolarHBondContact N-O 2.98Å; G158-Q161 PolarHBondContact O-N 2.99Å; Q161-V173 HydrophobicContact CG-CG1 3.69Å; Q161-I174 WeakPolarHBondContact CA-O 3.39Å; Q161-D175 WeakPolarHBondContact CG-OD1 3.33Å; Q161-D175 PolarHBondContact NE2-OD1 2.61Å
162	V	98.8	Very high	97.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.6	171.8	-173.9	0	0	0	0	108.5	T45 I47 I70 K155 I174 I179	T45-V162 HydrophobicContact CG2-CB 4.29Å; T45-V162 HydrophobicContact CG2-CG2 4.11Å; I47-V162 HydrophobicContact CD1-CG1 3.78Å; I47-V162 HydrophobicContact CD1-CG2 4.12Å; I47-V162 HydrophobicContact CG1-CG1 4.27Å; I70-V162 HydrophobicContact CD1-CB 4.2Å; I70-V162 HydrophobicContact CD1-CG1 3.5Å; K155-V162 WeakPolarHBondContact O-CA 3.48Å; K155-V162 WeakPolarHBondContact O-CG1 3.15Å; V162-I174 PolarHBondContact N-O 2.85Å; V162-I174 WeakPolarHBondContact O-CD1 3.1Å; V162-I174 PolarHBondContact O-N 3.4Å; V162-I179 HydrophobicContact CG2-CD1 3.63Å; V162-I179 HydrophobicContact CG2-CG1 3.9Å; V162-I179 HydrophobicContact CG2-CG2 4.18Å
163	T	98.7	Very high	97.8	Very high	22 Å²	22	52.1 Å²	52.1	14%	0.135	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.1	172.3	-60.5	0	0	0	0	109.2	G154 K155 T157 T171 Q172 V173	G154-T163 WeakPolarHBondContact CA-O 3.21Å; K155-T163 PolarHBondContact N-O 3.11Å; K155-T163 PolarHBondContact O-N 2.93Å; T157-T163 WeakPolarHBondContact CG2-OG1 3.46Å; T157-T163 PolarHBondContact OG1-OG1 3Å; T163-T171 HydrophobicContact CG2-CG2 4.17Å; T163-Q172 WeakPolarHBondContact CA-O 2.87Å; T163-V173 HydrophobicContact CG2-CG2 4.47Å
164	A	98.7	Very high	97.8	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.5	172.9	0	0	0	0	0	110	I70 V150 Y153 T171 Q172 I174	I70-A164 HydrophobicContact CD1-CB 4.32Å; I70-A164 HydrophobicContact CG2-CB 3.95Å; V150-A164 HydrophobicContact CG1-CB 3.67Å; Y153-A164 WeakPolarHBondContact O-CA 3.45Å; A164-T171 WeakPolarHBondContact O-CA 3.42Å; A164-Q172 HydrophobicContact CB-CB 4.46Å; A164-Q172 PolarHBondContact N-O 2.93Å; A164-Q172 PolarHBondContact O-N 2.88Å; A164-I174 HydrophobicContact CB-CD1 4.31Å
165	T	98.4	Very high	97.8	Very high	59 Å²	59	51.2 Å²	51.2	36%	0.362	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	118.2	176.9	-55.5	0	0	0	0	110.5	G152 Y153 T171	G152-T165 CarbonylContact C-O 3.46Å; G152-T165 WeakPolarHBondContact CA-O 3.18Å; Y153-T165 PolarHBondContact N-O 2.94Å; Y153-T165 PolarHBondContact O-N 3.22Å; T165-T171 HydrophobicContact CG2-CG2 4.49Å
166	K	97.4	Very high	97.8	Very high	75 Å²	75	48 Å²	48	33%	0.326	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-71.3	166.1	176.3	-65.4	175.9	-168.2	167.8	0	111.1	D37 N151 D168 G169 G170	D37-K166 IonicContact OD2-NZ 2.69Å; D37-K166 PolarHBondContact OD2-NZ 2.95Å; N151-K166 WeakPolarHBondContact O-CG 3.25Å; K166-D168 WeakPolarHBondContact CB-OD1 3.41Å; K166-D168 PolarHBondContact O-N 3.37Å; K166-G169 PolarHBondContact O-N 3.43Å; K166-G170 WeakPolarHBondContact CB-O 3.44Å; K166-G170 PolarHBondContact N-O 3.44Å
167	A	96	Very high	97.8	Very high	119 Å²	119	54 Å²	54	98%	0.983	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.2	178.9	0	0	0	0	0	113.8	G169	A167-G169 VanDerWaalsContact C-N 3.29Å
168	D	94.8	Very high	97.9	Very high	135 Å²	135	52.1 Å²	52.1	72%	0.722	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	2	176.1	64.9	-1.7	0	0	0	113.6	K166 G170	K166-D168 WeakPolarHBondContact CB-OD1 3.41Å; K166-D168 PolarHBondContact O-N 3.37Å; D168-G170 VanDerWaalsContact C-N 3.31Å; D168-G170 PolarHBondContact OD1-N 3.41Å
169	G	95.5	Very high	97.9	Very high	51 Å²	51	51.1 Å²	51.1	53%	0.526	29%	0.294	S	S	.	.	S	Bend	trans	84.9	-5.2	-176.6	0	0	0	0	0	114.6	K166 A167	K166-G169 PolarHBondContact O-N 3.43Å; A167-G169 VanDerWaalsContact C-N 3.29Å
170	G	96.1	Very high	98	Very high	22 Å²	22	44.8 Å²	44.8	23%	0.227	27%	0.267	C	S	.	.			trans	-61.6	145	172.8	0	0	0	0	0	111.5	K166 D168	K166-G170 WeakPolarHBondContact CB-O 3.44Å; K166-G170 PolarHBondContact N-O 3.44Å; D168-G170 VanDerWaalsContact C-N 3.31Å; D168-G170 PolarHBondContact OD1-N 3.41Å
171	T	97.8	Very high	98	Very high	45 Å²	45	41 Å²	41	28%	0.276	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.9	-176.1	57.2	0	0	0	0	111.8	D37 T163 A164 T165	D37-T171 PolarHBondContact N-O 2.83Å; T163-T171 HydrophobicContact CG2-CG2 4.17Å; A164-T171 WeakPolarHBondContact O-CA 3.42Å; T165-T171 HydrophobicContact CG2-CG2 4.49Å
172	Q	98.3	Very high	98	Very high	22 Å²	22	38.4 Å²	38.4	10%	0.103	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.9	166.3	176.5	64.3	74.3	0	0	108.3	Q38 I40 V150 T163 A164 I174	Q38-Q172 PolarHBondContact O-NE2 3.25Å; I40-Q172 HydrophobicContact CD1-CG 3.88Å; V150-Q172 HydrophobicContact CG1-CB 4.01Å; V150-Q172 HydrophobicContact CG1-CG 3.97Å; V150-Q172 HydrophobicContact CG2-CG 4.34Å; T163-Q172 WeakPolarHBondContact CA-O 2.87Å; A164-Q172 HydrophobicContact CB-CB 4.46Å; A164-Q172 PolarHBondContact N-O 2.93Å; A164-Q172 PolarHBondContact O-N 2.88Å; Q172-I174 HydrophobicContact CG-CD1 3.96Å; Q172-I174 HydrophobicContact CG-CG1 4.38Å; Q172-I174 WeakPolarHBondContact O-CD1 3.3Å
173	V	98.5	Very high	98	Very high	30 Å²	30	39.9 Å²	39.9	18%	0.182	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.5	173	180	0	0	0	0	109.1	P39 I40 Q161 T163	P39-V173 WeakPolarHBondContact CA-O 3.32Å; I40-V173 PolarHBondContact N-O 3.09Å; Q161-V173 HydrophobicContact CG-CG1 3.69Å; T163-V173 HydrophobicContact CG2-CG2 4.47Å
174	I	98.8	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	112.3	176.4	-53.4	84.6	0	0	0	107.9	I40 A42 T45 V68 I70 Q161 V162 A164 Q172	I40-I174 HydrophobicContact CB-CG1 4.41Å; I40-I174 HydrophobicContact CB-CG2 4.48Å; I40-I174 CarbonylContact O-C 3.25Å; I40-I174 VanDerWaalsContact O-CA 3.26Å; I40-I174 WeakPolarHBondContact O-CA 3.24Å; I40-I174 WeakPolarHBondContact O-CG2 3.49Å; A42-I174 HydrophobicContact CB-CG2 4.02Å; T45-I174 HydrophobicContact CG2-CG2 4.31Å; T45-I174 WeakPolarHBondContact OG1-CG2 3.49Å; V68-I174 HydrophobicContact CB-CG2 4.44Å; V68-I174 HydrophobicContact CG1-CG1 4.27Å; V68-I174 HydrophobicContact CG2-CG2 4.19Å; I70-I174 HydrophobicContact CD1-CD1 3.89Å; Q161-I174 WeakPolarHBondContact CA-O 3.39Å; V162-I174 PolarHBondContact N-O 2.85Å; V162-I174 WeakPolarHBondContact O-CD1 3.1Å; V162-I174 PolarHBondContact O-N 3.4Å; A164-I174 HydrophobicContact CB-CD1 4.31Å; Q172-I174 HydrophobicContact CG-CD1 3.96Å; Q172-I174 HydrophobicContact CG-CG1 4.38Å; Q172-I174 WeakPolarHBondContact O-CD1 3.3Å
175	D	98.7	Very high	98	Very high	53 Å²	53	40.1 Å²	40.1	28%	0.283	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.8	171.5	-67	-50.6	0	0	0	108.2	I40 D41 A42 N160 Q161	I40-D175 PolarHBondContact O-N 3.14Å; D41-D175 CarbonylContact C-O 3.58Å; D41-D175 WeakPolarHBondContact CA-O 3.45Å; A42-D175 PolarHBondContact N-O 3.03Å; N160-D175 CarbonylContact O-C 3.53Å; N160-D175 WeakPolarHBondContact O-CA 2.99Å; Q161-D175 WeakPolarHBondContact CG-OD1 3.33Å; Q161-D175 PolarHBondContact NE2-OD1 2.61Å
176	T	98.8	Very high	98	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.043	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144.5	-166.4	-164.1	0	0	0	0	115	A42 T45 N160 N178 I179	A42-T176 WeakPolarHBondContact O-CA 3.46Å; A42-T176 PolarHBondContact O-OG1 2.9Å; T45-T176 PolarHBondContact N-OG1 3.49Å; T45-T176 WeakPolarHBondContact OG1-CB 3.42Å; T45-T176 WeakPolarHBondContact OG1-CG2 3.37Å; T45-T176 PolarHBondContact OG1-OG1 2.84Å; N160-T176 CarbonylContact C-O 3.58Å; N160-T176 WeakPolarHBondContact CA-O 3.37Å; N160-T176 WeakPolarHBondContact CB-O 3.34Å; N160-T176 PolarHBondContact ND2-O 2.97Å; N160-T176 PolarHBondContact O-N 2.99Å; T176-N178 PolarHBondContact OG1-O 3.28Å; T176-I179 HydrophobicContact CG2-CD1 4.21Å; T176-I179 HydrophobicContact CG2-CG1 3.55Å
177	K	98.7	Very high	98.1	Very high	129 Å²	129	38.4 Å²	38.4	56%	0.561	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70	-47.1	176.7	-62.2	178.2	-175.7	157.5	0	111.5	A42 D43 N160 N349	A42-K177 PolarHBondContact O-N 3.44Å; A42-K177 VanDerWaalsContact O-N 3.09Å; D43-K177 WeakPolarHBondContact O-CB 3.43Å; D43-K177 WeakPolarHBondContact OD1-CD 3.41Å; D43-K177 WeakPolarHBondContact OD1-CE 3.35Å; D43-K177 IonicContact OD1-NZ 2.93Å; D43-K177 PolarHBondContact OD1-NZ 2.89Å; N160-K177 PolarHBondContact ND2-O 3.38Å; N160-K177 VanDerWaalsContact ND2-O 3.16Å; K177-N349 PolarHBondContact O-ND2 3.06Å
178	N	98.9	Very high	98.2	Very high	29 Å²	29	34.4 Å²	34.4	16%	0.155	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.2	-177.8	-54.4	-76.2	0	0	0	111.8	D43 V44 T45 T176 N349 Y351 M377	D43-N178 PolarHBondContact O-N 3.5Å; D43-N178 PolarHBondContact O-ND2 3.41Å; V44-N178 WeakPolarHBondContact CA-O 2.88Å; V44-N178 HydrophobicContact CG2-CB 4.38Å; T45-N178 PolarHBondContact N-O 2.97Å; T176-N178 PolarHBondContact OG1-O 3.28Å; N178-N349 WeakPolarHBondContact CA-O 3.48Å; N178-Y351 HydrophobicContact CB-CE2 4.31Å; N178-M377 HydrophobicContact CB-SD 4.19Å
179	I	98.9	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.3	176.8	-58.8	172.2	0	0	0	108.6	T45 I47 I156 V162 T176 N349 I350 Y351	T45-I179 WeakPolarHBondContact O-CA 3.43Å; I47-I179 HydrophobicContact CD1-CG2 3.98Å; I47-I179 HydrophobicContact CG1-CG2 4.45Å; I156-I179 HydrophobicContact CD1-CG2 3.99Å; I156-I179 HydrophobicContact CG1-CG2 4.27Å; I156-I179 HydrophobicContact CG2-CD1 3.64Å; V162-I179 HydrophobicContact CG2-CD1 3.63Å; V162-I179 HydrophobicContact CG2-CG1 3.9Å; V162-I179 HydrophobicContact CG2-CG2 4.18Å; T176-I179 HydrophobicContact CG2-CD1 4.21Å; T176-I179 HydrophobicContact CG2-CG1 3.55Å; I179-N349 PolarHBondContact N-O 3.3Å; I179-I350 HydrophobicContact CB-CG1 4.27Å; I179-I350 HydrophobicContact CB-CG2 4.42Å; I179-I350 HydrophobicContact CD1-CD1 4.39Å; I179-I350 HydrophobicContact CD1-CG1 4.32Å; I179-I350 CarbonylContact O-C 3.54Å; I179-I350 WeakPolarHBondContact O-CA 3.17Å; I179-Y351 PolarHBondContact O-N 3.47Å
180	L	98.9	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.1	175.7	178.5	60.9	0	0	0	110.4	T45 V46 I47 A56 I353 V374 M377	T45-L180 PolarHBondContact O-N 2.95Å; V46-L180 CarbonylContact C-O 3.57Å; V46-L180 WeakPolarHBondContact CA-O 3.49Å; V46-L180 HydrophobicContact CG1-CB 4.47Å; V46-L180 HydrophobicContact CG1-CD2 4.3Å; V46-L180 HydrophobicContact CG1-CG 4.38Å; V46-L180 HydrophobicContact CG2-CB 4.24Å; V46-L180 HydrophobicContact CG2-CD2 4.13Å; I47-L180 PolarHBondContact N-O 3.37Å; A56-L180 HydrophobicContact CB-CD2 3.4Å; A56-L180 VanDerWaalsContact CB-CD2 3.4Å; L180-I353 HydrophobicContact CD1-CB 4.47Å; L180-I353 HydrophobicContact CD1-CD1 4.24Å; L180-I353 HydrophobicContact CD1-CG1 3.94Å; L180-I353 HydrophobicContact CD1-CG2 3.89Å; L180-I353 HydrophobicContact CD2-CD1 4.04Å; L180-I353 HydrophobicContact CG-CD1 4.33Å; L180-I353 HydrophobicContact CG-CG1 4.36Å; L180-V374 HydrophobicContact CD2-CG1 4.13Å; L180-M377 HydrophobicContact CB-CE 4.32Å; L180-M377 HydrophobicContact CD1-CE 4.41Å
181	I	98.9	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	114.3	179.1	-58	166.8	0	0	0	109.2	I156 T183 L322 L324 I337 I350 Y351 A352 I353 V356	I156-I181 HydrophobicContact CD1-CD1 3.86Å; I156-I181 HydrophobicContact CD1-CG1 4.08Å; I181-T183 HydrophobicContact CG2-CG2 4.04Å; I181-L322 HydrophobicContact CD1-CD2 4.1Å; I181-L322 HydrophobicContact CG1-CD2 4.22Å; I181-L322 HydrophobicContact CG2-CD2 3.57Å; I181-L324 HydrophobicContact CD1-CD2 3.88Å; I181-I337 HydrophobicContact CB-CD1 4.35Å; I181-I337 HydrophobicContact CD1-CD1 3.86Å; I181-I337 HydrophobicContact CG2-CD1 3.77Å; I181-I350 HydrophobicContact CD1-CG2 3.76Å; I181-I350 HydrophobicContact CG1-CG2 4.33Å; I181-Y351 WeakPolarHBondContact CB-O 3.43Å; I181-Y351 WeakPolarHBondContact CG1-O 3.38Å; I181-Y351 PolarHBondContact N-O 3.06Å; I181-A352 HydrophobicContact CB-CB 4Å; I181-A352 WeakPolarHBondContact O-CA 3.4Å; I181-I353 PolarHBondContact O-N 3.03Å; I181-V356 HydrophobicContact CG2-CG1 4.27Å
182	A	98.9	Very high	98.4	Very high	9 Å²	9	36.1 Å²	36.1	7%	0.074	22%	0.221	C	C	.	.			trans	-130.3	37.7	177.9	0	0	0	0	0	110.9	V46 I47 G184 I353	V46-A182 HydrophobicContact CG1-CB 4.18Å; I47-A182 CarbonylContact O-C 3.52Å; I47-A182 WeakPolarHBondContact O-CA 3.27Å; I47-A182 PolarHBondContact O-N 2.88Å; A182-G184 PolarHBondContact O-N 3.01Å; A182-I353 HydrophobicContact CB-CD1 4.21Å; A182-I353 HydrophobicContact CB-CG1 4.02Å
183	T	98.9	Very high	98.4	Very high	30 Å²	30	35.5 Å²	35.5	18%	0.184	22%	0.219	C	C	.	.			trans	-72.9	-7.9	-172.5	51.3	0	0	0	0	114.4	I47 I181 F318 L322	I47-T183 HydrophobicContact CB-CG2 4.42Å; I47-T183 HydrophobicContact CG2-CG2 3.86Å; I47-T183 PolarHBondContact O-N 3.48Å; I181-T183 HydrophobicContact CG2-CG2 4.04Å; T183-F318 VanDerWaalsContact CB-O 3.24Å; T183-F318 WeakPolarHBondContact CB-O 3.46Å; T183-F318 PolarHBondContact OG1-O 3.22Å; T183-L322 HydrophobicContact CG2-CD1 4.13Å; T183-L322 HydrophobicContact CG2-CD2 4.1Å
184	G	98.7	Very high	98.4	Very high	17 Å²	17	39.6 Å²	39.6	18%	0.175	24%	0.244	C	C	.	.			trans	72	-139.2	167.8	0	0	0	0	0	114.2	A182 F318	A182-G184 PolarHBondContact O-N 3.01Å; G184-F318 PolarHBondContact O-N 3.03Å
185	S	98.8	Very high	98.4	Very high	10 Å²	10	41.8 Å²	41.8	7%	0.07	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	165.3	-173.3	58.9	0	0	0	0	112.9	R315 R316 D355	S185-R315 VanDerWaalsContact C-NH2 3.29Å; S185-R315 PolarHBondContact O-NH2 3.22Å; S185-R315 VanDerWaalsContact OG-CZ 3.32Å; S185-R315 PolarHBondContact OG-NE 3.47Å; S185-R315 PolarHBondContact OG-NH2 2.88Å; S185-R316 CarbonylContact C-O 3.51Å; S185-R316 WeakPolarHBondContact CA-O 3.2Å; S185-R316 WeakPolarHBondContact CB-O 3.1Å; S185-D355 WeakPolarHBondContact CB-OD2 3.27Å; S185-D355 PolarHBondContact OG-OD2 3.33Å
186	E	98.6	Very high	98.4	Very high	64 Å²	64	42.3 Å²	42.3	30%	0.299	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	169.2	169.2	62.2	174.9	-163.1	0	0	111.8	R315 R316 F318	E186-R315 CarbonylContact O-C 3.35Å; E186-R315 VanDerWaalsContact O-CA 3.29Å; E186-R315 WeakPolarHBondContact O-CA 3.31Å; E186-R316 HydrophobicContact CG-CG 3.78Å; E186-R316 PolarHBondContact N-O 2.88Å; E186-R316 PolarHBondContact O-N 3.34Å; E186-R316 IonicContact OE1-CZ 2.74Å; E186-R316 IonicContact OE1-NE 2.74Å; E186-R316 PolarHBondContact OE1-NE 3.32Å; E186-R316 IonicContact OE1-NH2 2.73Å; E186-R316 PolarHBondContact OE1-NH2 3.31Å; E186-F318 HydrophobicContact CB-CD2 4.39Å; E186-F318 HydrophobicContact CG-CD2 4.21Å; E186-F318 WeakPolarHBondContact OE2-CD2 2.98Å
187	V	98.5	Very high	98.3	Very high	34 Å²	34	46 Å²	46	21%	0.206	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	135.1	176.2	175.4	0	0	0	0	109.4	P189 I195	V187-P189 WeakPolarHBondContact O-CD 3Å; V187-I195 HydrophobicContact CG1-CD1 4.21Å
188	T	98.4	Very high	98.3	Very high	36 Å²	36	45.3 Å²	45.3	22%	0.221	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-76.4	117.5	173.1	-56.7	0	0	0	0	109.1	I313 G314 R315	T188-I313 HydrophobicContact CG2-CD1 3.96Å; T188-I313 HydrophobicContact CG2-CG1 4.32Å; T188-G314 WeakPolarHBondContact CB-O 3.39Å; T188-G314 PolarHBondContact N-O 3.31Å; T188-G314 VanDerWaalsContact OG1-C 3.32Å; T188-G314 PolarHBondContact OG1-O 2.96Å; T188-R315 VanDerWaalsContact OG1-C 3.3Å; T188-R315 WeakPolarHBondContact OG1-CA 3.49Å; T188-R315 PolarHBondContact OG1-N 3.37Å
189	P	97.5	Very high	98.2	Very high	61 Å²	61	45.4 Å²	45.4	40%	0.396	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-68.6	142.2	177.5	28.9	-34	0	0	0	110.3	V187 P191 R316	V187-P189 WeakPolarHBondContact O-CD 3Å; P189-P191 WeakPolarHBondContact O-CD 3.45Å; P189-R316 VanDerWaalsContact CD-CZ 3.46Å
190	F	98	Very high	98.2	Very high	37 Å²	37	45.7 Å²	45.7	16%	0.162	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-85.3	119.6	172.3	-169.6	-71.5	0	0	0	109.2	G192 I193 I219 V278 V311 I313	F190-G192 PolarHBondContact O-N 3.05Å; F190-I193 HydrophobicContact CB-CB 4.24Å; F190-I193 HydrophobicContact CD1-CB 4.09Å; F190-I193 HydrophobicContact CD1-CD1 3.56Å; F190-I193 HydrophobicContact CD1-CG1 3.72Å; F190-I193 HydrophobicContact CE1-CD1 3.88Å; F190-I193 HydrophobicContact CE1-CG1 4.26Å; F190-I193 HydrophobicContact CG-CB 4.48Å; F190-I193 HydrophobicContact CG-CD1 4.04Å; F190-I193 HydrophobicContact CG-CG1 4.43Å; F190-I193 PolarHBondContact O-N 3.38Å; F190-I219 HydrophobicContact CD2-CG2 4.22Å; F190-I219 HydrophobicContact CE2-CG2 4.14Å; F190-V278 HydrophobicContact CE2-CB 4.24Å; F190-V278 HydrophobicContact CZ-CB 3.97Å; F190-V278 HydrophobicContact CZ-CG1 4.19Å; F190-V278 WeakPolarHBondContact CZ-O 3.42Å; F190-V311 HydrophobicContact CB-CG1 3.81Å; F190-I313 HydrophobicContact CB-CD1 4.06Å; F190-I313 HydrophobicContact CD2-CD1 4.01Å; F190-I313 HydrophobicContact CD2-CG2 3.82Å; F190-I313 HydrophobicContact CE2-CG2 4.36Å; F190-I313 HydrophobicContact CG-CD1 4.43Å
191	P	97.2	Very high	98.2	Very high	114 Å²	114	45.7 Å²	45.7	74%	0.74	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	124.3	180	-26	35.4	0	0	0	112.3	P189	P189-P191 WeakPolarHBondContact O-CD 3.45Å
192	G	96.5	Very high	98.2	Very high	77 Å²	77	45.8 Å²	45.8	79%	0.794	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-3.8	-179.2	0	0	0	0	0	115.6	F190	F190-G192 PolarHBondContact O-N 3.05Å
193	I	98	Very high	98.2	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.046	28%	0.281	C	S	.	.			trans	-119.7	114.5	174.3	-59.5	177.8	0	0	0	109	F190 I200 I219 V278 A281 L309 V311	F190-I193 HydrophobicContact CB-CB 4.24Å; F190-I193 HydrophobicContact CD1-CB 4.09Å; F190-I193 HydrophobicContact CD1-CD1 3.56Å; F190-I193 HydrophobicContact CD1-CG1 3.72Å; F190-I193 HydrophobicContact CE1-CD1 3.88Å; F190-I193 HydrophobicContact CE1-CG1 4.26Å; F190-I193 HydrophobicContact CG-CB 4.48Å; F190-I193 HydrophobicContact CG-CD1 4.04Å; F190-I193 HydrophobicContact CG-CG1 4.43Å; F190-I193 PolarHBondContact O-N 3.38Å; I193-I200 HydrophobicContact CG2-CD1 4.1Å; I193-I200 HydrophobicContact CG2-CG2 3.8Å; I193-I219 HydrophobicContact CD1-CD1 3.86Å; I193-V278 HydrophobicContact CD1-CG1 3.98Å; I193-A281 HydrophobicContact CD1-CB 3.74Å; I193-A281 HydrophobicContact CG1-CB 3.98Å; I193-A281 HydrophobicContact CG2-CB 4.34Å; I193-L309 HydrophobicContact CG2-CD2 4.33Å; I193-V311 HydrophobicContact CG2-CG2 4.24Å
194	T	98.1	Very high	98.2	Very high	116 Å²	116	46.9 Å²	46.9	71%	0.712	29%	0.287	S	S	*	.			trans	-89.6	115.5	178.6	-54.3	0	0	0	0	110.7
195	I	98.6	Very high	98.2	Very high	45 Å²	45	46.6 Å²	46.6	23%	0.231	28%	0.284	C	S	.	.			trans	-69.1	126.8	169.9	-64.2	169.9	0	0	0	108.5	V187 E197 I200 V311	V187-I195 HydrophobicContact CG1-CD1 4.21Å; I195-E197 HydrophobicContact CG2-CG 3.96Å; I195-I200 WeakPolarHBondContact CA-O 3.33Å; I195-I200 HydrophobicContact CG1-CG2 4.29Å; I195-I200 WeakPolarHBondContact CG2-O 2.92Å; I195-V311 HydrophobicContact CD1-CB 4.01Å; I195-V311 HydrophobicContact CD1-CG1 4.28Å; I195-V311 HydrophobicContact CD1-CG2 4.47Å; I195-V311 HydrophobicContact CG1-CB 4.26Å; I195-V311 HydrophobicContact CG1-CG2 4.17Å
196	D	97.9	Very high	98.1	Very high	65 Å²	65	46.1 Å²	46.1	35%	0.348	28%	0.281	S	S	.	.			trans	-111.5	-7	175.4	69.3	-14.7	0	0	0	113.4	D198 T199 I200 K283	D196-D198 PolarHBondContact O-N 3.05Å; D196-D198 PolarHBondContact OD1-N 2.85Å; D196-T199 PolarHBondContact OD1-N 2.89Å; D196-T199 VanDerWaalsContact OD1-N 3.1Å; D196-T199 PolarHBondContact OD2-OG1 3.04Å; D196-I200 PolarHBondContact N-O 3.49Å; D196-I200 PolarHBondContact OD1-N 3.03Å; D196-K283 IonicContact OD1-NZ 2.71Å; D196-K283 WeakPolarHBondContact OD2-CE 3.49Å; D196-K283 IonicContact OD2-NZ 3.15Å; D196-K283 PolarHBondContact OD2-NZ 3.02Å
197	E	98.2	Very high	98.2	Very high	84 Å²	84	43.3 Å²	43.3	39%	0.393	27%	0.268	S	S	.	.	S	Bend	trans	58.9	24.4	-174.4	-53	-67.1	-172.4	0	0	114.1	I195 I200 S202 G205	I195-E197 HydrophobicContact CG2-CG 3.96Å; E197-I200 PolarHBondContact N-O 3.11Å; E197-I200 VanDerWaalsContact N-O 3.09Å; E197-S202 VanDerWaalsContact OE1-CB 3.22Å; E197-S202 WeakPolarHBondContact OE1-CB 3.36Å; E197-S202 PolarHBondContact OE1-OG 3.42Å; E197-S202 PolarHBondContact OE2-N 3.22Å; E197-S202 PolarHBondContact OE2-OG 3.28Å; E197-G205 VanDerWaalsContact OE2-CA 3.23Å; E197-G205 WeakPolarHBondContact OE2-CA 3.42Å; E197-G205 PolarHBondContact OE2-N 3.25Å
198	D	97.6	Very high	98.2	Very high	115 Å²	115	44.2 Å²	44.2	62%	0.615	28%	0.275	S	S	*	.	S	Bend	trans	-118.6	-74.7	172.5	-179.1	19.3	0	0	0	110.2	D196 V201	D196-D198 PolarHBondContact O-N 3.05Å; D196-D198 PolarHBondContact OD1-N 2.85Å; D198-V201 WeakPolarHBondContact O-CG1 3.41Å
199	T	98.1	Very high	98.2	Very high	30 Å²	30	43.3 Å²	43.3	18%	0.184	27%	0.269	C	S	.	.	S	Bend	trans	-102.2	-32.3	179	55.2	0	0	0	0	112.4	D196 K283 I289 V308 L309	D196-T199 PolarHBondContact OD1-N 2.89Å; D196-T199 VanDerWaalsContact OD1-N 3.1Å; D196-T199 PolarHBondContact OD2-OG1 3.04Å; T199-K283 VanDerWaalsContact OG1-CE 3.3Å; T199-K283 WeakPolarHBondContact OG1-CE 3.48Å; T199-I289 VanDerWaalsContact O-CD1 3.22Å; T199-I289 WeakPolarHBondContact O-CD1 3.48Å; T199-V308 WeakPolarHBondContact O-CA 3.41Å; T199-L309 PolarHBondContact O-N 3.39Å
200	I	98.6	Very high	98.2	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	105.6	169.9	-59	-177.4	0	0	0	107.4	I193 I195 D196 E197 K283 I289 L309 V311	I193-I200 HydrophobicContact CG2-CD1 4.1Å; I193-I200 HydrophobicContact CG2-CG2 3.8Å; I195-I200 WeakPolarHBondContact CA-O 3.33Å; I195-I200 HydrophobicContact CG1-CG2 4.29Å; I195-I200 WeakPolarHBondContact CG2-O 2.92Å; D196-I200 PolarHBondContact N-O 3.49Å; D196-I200 PolarHBondContact OD1-N 3.03Å; E197-I200 PolarHBondContact N-O 3.11Å; E197-I200 VanDerWaalsContact N-O 3.09Å; I200-K283 HydrophobicContact CD1-CD 4.41Å; I200-K283 HydrophobicContact CD1-CG 4.12Å; I200-K283 VanDerWaalsContact CG1-CE 3.44Å; I200-I289 HydrophobicContact CD1-CD1 4.5Å; I200-I289 HydrophobicContact CG1-CD1 3.62Å; I200-I289 HydrophobicContact CG1-CG1 4.25Å; I200-L309 CarbonylContact C-O 3.56Å; I200-L309 WeakPolarHBondContact CA-O 3.08Å; I200-L309 HydrophobicContact CD1-CD2 4.32Å; I200-L309 HydrophobicContact CG1-CB 4.22Å; I200-L309 HydrophobicContact CG1-CD2 4.32Å; I200-L309 HydrophobicContact CG2-CD2 4.28Å; I200-V311 HydrophobicContact CG2-CG2 3.96Å
201	V	98.8	Very high	98.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	151.4	-168.1	-60.1	0	0	0	0	111.6	D198 A206 L209 V308 L309 L310 V311	D198-V201 WeakPolarHBondContact O-CG1 3.41Å; V201-A206 HydrophobicContact CG2-CB 3.86Å; V201-L209 HydrophobicContact CG1-CD2 4.08Å; V201-V308 HydrophobicContact CG2-CG1 3.83Å; V201-L309 PolarHBondContact N-O 3.01Å; V201-L310 HydrophobicContact CG2-CB 4.28Å; V201-L310 HydrophobicContact CG2-CD1 4.32Å; V201-L310 WeakPolarHBondContact O-CA 3.41Å; V201-V311 PolarHBondContact O-N 3.22Å
202	S	98.8	Very high	98.3	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.014	29%	0.289	C	S	.	.			trans	-84.1	-172.6	159.6	77.1	0	0	0	0	110.2	E197 T204 G205 A206 L310	E197-S202 VanDerWaalsContact OE1-CB 3.22Å; E197-S202 WeakPolarHBondContact OE1-CB 3.36Å; E197-S202 PolarHBondContact OE1-OG 3.42Å; E197-S202 PolarHBondContact OE2-N 3.22Å; E197-S202 PolarHBondContact OE2-OG 3.28Å; S202-T204 PolarHBondContact O-N 3.35Å; S202-T204 WeakPolarHBondContact OG-CB 3.3Å; S202-T204 PolarHBondContact OG-N 3.38Å; S202-G205 PolarHBondContact O-N 2.98Å; S202-A206 WeakPolarHBondContact O-CB 3.41Å; S202-A206 PolarHBondContact O-N 3.26Å; S202-L310 VanDerWaalsContact C-CD1 3.41Å; S202-L310 WeakPolarHBondContact O-CD1 3.32Å
203	S	98.4	Very high	98.4	Very high	11 Å²	11	47.8 Å²	47.8	8%	0.077	25%	0.253	C	S	.	.	H	α-helix	trans	-55.7	-30.2	168.4	56.8	0	0	0	0	112.6	L207	S203-L207 WeakPolarHBondContact O-CD1 3.46Å; S203-L207 WeakPolarHBondContact O-CG 3.42Å; S203-L207 PolarHBondContact O-N 2.71Å
204	T	98.5	Very high	98.4	Very high	52 Å²	52	54.3 Å²	54.3	32%	0.319	28%	0.283	S	S	.	.	H	α-helix	trans	-67.8	-52.5	-179.8	-57	0	0	0	0	111.8	V83 S202 A206 L207	V83-T204 HydrophobicContact CB-CG2 4.22Å; V83-T204 HydrophobicContact CG1-CG2 3.81Å; S202-T204 PolarHBondContact O-N 3.35Å; S202-T204 WeakPolarHBondContact OG-CB 3.3Å; S202-T204 PolarHBondContact OG-N 3.38Å; T204-A206 VanDerWaalsContact C-N 3.35Å; T204-L207 PolarHBondContact O-N 2.78Å
205	G	98.6	Very high	98.5	Very high	11 Å²	11	51.8 Å²	51.8	11%	0.113	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-39.4	176.3	0	0	0	0	0	112.3	E197 S202 L207 S208 L209	E197-G205 VanDerWaalsContact OE2-CA 3.23Å; E197-G205 WeakPolarHBondContact OE2-CA 3.42Å; E197-G205 PolarHBondContact OE2-N 3.25Å; S202-G205 PolarHBondContact O-N 2.98Å; G205-L207 PolarHBondContact O-N 2.97Å; G205-L207 VanDerWaalsContact O-N 3.15Å; G205-S208 CarbonylContact O-C 3.5Å; G205-S208 PolarHBondContact O-N 3.12Å; G205-L209 PolarHBondContact O-N 2.78Å
206	A	98.7	Very high	98.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-19.9	177.5	0	0	0	0	0	114.2	V201 S202 T204 S208 L228 W232 L310	V201-A206 HydrophobicContact CG2-CB 3.86Å; S202-A206 WeakPolarHBondContact O-CB 3.41Å; S202-A206 PolarHBondContact O-N 3.26Å; T204-A206 VanDerWaalsContact C-N 3.35Å; A206-S208 VanDerWaalsContact C-N 3.29Å; A206-L228 HydrophobicContact CB-CD1 4.06Å; A206-W232 WeakPolarHBondContact O-CZ2 3.33Å; A206-W232 PolarHBondContact O-NE1 3.04Å; A206-L310 HydrophobicContact CB-CD1 3.9Å; A206-L310 HydrophobicContact CB-CD2 4.33Å
207	L	98.7	Very high	98.5	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-2	173.4	-73.4	167.1	0	0	0	113.3	V83 P87 L91 M124 K127 S203 T204 G205 L228	V83-L207 WeakPolarHBondContact O-CD1 3.32Å; P87-L207 HydrophobicContact CB-CD1 4.05Å; P87-L207 HydrophobicContact CB-CD2 4.21Å; P87-L207 HydrophobicContact CG-CD1 3.81Å; L91-L207 HydrophobicContact CD1-CD2 3.88Å; M124-L207 VanDerWaalsContact SD-O 3.38Å; K127-L207 PolarHBondContact NZ-O 3.19Å; S203-L207 WeakPolarHBondContact O-CD1 3.46Å; S203-L207 WeakPolarHBondContact O-CG 3.42Å; S203-L207 PolarHBondContact O-N 2.71Å; T204-L207 PolarHBondContact O-N 2.78Å; G205-L207 PolarHBondContact O-N 2.97Å; G205-L207 VanDerWaalsContact O-N 3.15Å; L207-L228 HydrophobicContact CD2-CD2 3.58Å; L207-L228 HydrophobicContact CG-CD2 4.08Å
208	S	98.5	Very high	98.6	Very high	52 Å²	52	42.6 Å²	42.6	36%	0.364	22%	0.216	S	C	.	.	S	Bend	trans	-141.4	19.6	-170.8	-55.4	0	0	0	0	114.1	K127 G205 A206	K127-S208 PolarHBondContact NZ-OG 3.42Å; G205-S208 CarbonylContact O-C 3.5Å; G205-S208 PolarHBondContact O-N 3.12Å; A206-S208 VanDerWaalsContact C-N 3.29Å
209	L	98.7	Very high	98.6	Very high	17 Å²	17	37.4 Å²	37.4	9%	0.089	19%	0.188	C	C	.	.			trans	-56.6	141.5	174.9	-54.5	-179.9	0	0	0	110.6	V201 G205 P213 W232 V308	V201-L209 HydrophobicContact CG1-CD2 4.08Å; G205-L209 PolarHBondContact O-N 2.78Å; L209-P213 HydrophobicContact CD1-CG 4.29Å; L209-W232 HydrophobicContact CB-CH2 3.61Å; L209-W232 HydrophobicContact CB-CZ2 3.65Å; L209-W232 HydrophobicContact CB-CZ3 4.39Å; L209-W232 HydrophobicContact CD1-CD2 4.03Å; L209-W232 HydrophobicContact CD1-CE3 4.45Å; L209-W232 HydrophobicContact CD1-CH2 4.11Å; L209-W232 HydrophobicContact CD1-CZ2 3.65Å; L209-W232 HydrophobicContact CD1-CZ3 4.48Å; L209-W232 HydrophobicContact CG-CH2 4.15Å; L209-W232 HydrophobicContact CG-CZ2 3.68Å; L209-V308 HydrophobicContact CD1-CG1 4.24Å; L209-V308 HydrophobicContact CD1-CG2 4.43Å; L209-V308 HydrophobicContact CD2-CG1 4.37Å
210	K	98.3	Very high	98.6	Very high	176 Å²	176	36.3 Å²	36.3	77%	0.765	18%	0.183	S	C	*	.	S	Bend	trans	-85.4	-13.5	-175.5	-56.7	-55.8	-176.5	-175.9	0	114.2
211	K	98.4	Very high	98.6	Very high	163 Å²	163	36 Å²	36	71%	0.709	18%	0.181	S	C	*	.	S	Bend	trans	-149.5	155.6	175.4	61.6	179.4	-178.5	176.5	0	109
212	V	98.8	Very high	98.6	Very high	39 Å²	39	36.9 Å²	36.9	24%	0.236	19%	0.19	C	C	.	.			trans	-66	124.3	169.4	-178	0	0	0	0	107.7	L118 W232 L235 A237	L118-V212 HydrophobicContact CD2-CG2 3.53Å; V212-W232 HydrophobicContact CG1-CE3 4.41Å; V212-W232 HydrophobicContact CG2-CE3 4.28Å; V212-W232 HydrophobicContact CG2-CZ3 4.1Å; V212-L235 HydrophobicContact CG1-CB 4.28Å; V212-L235 HydrophobicContact CG2-CB 3.81Å; V212-A237 HydrophobicContact CG1-CB 4.04Å
213	P	98.6	Very high	98.6	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.032	20%	0.204	C	C	.	.			trans	-67.7	144.6	175.2	27.9	-32.8	0	0	0	110.1	L209 M216 A237 D307 V308	L209-P213 HydrophobicContact CD1-CG 4.29Å; P213-M216 HydrophobicContact CG-CB 4.06Å; P213-M216 HydrophobicContact CG-SD 4.36Å; P213-A237 HydrophobicContact CG-CB 4Å; P213-A237 VanDerWaalsContact O-CA 3.29Å; P213-A237 WeakPolarHBondContact O-CA 3.37Å; P213-A237 WeakPolarHBondContact O-CB 3.34Å; P213-D307 HydrophobicContact CB-CB 4.43Å; P213-V308 HydrophobicContact CB-CB 4.07Å; P213-V308 HydrophobicContact CB-CG2 3.79Å; P213-V308 HydrophobicContact CG-CB 4.37Å; P213-V308 HydrophobicContact CG-CG2 4.34Å
214	E	98.7	Very high	98.6	Very high	146 Å²	146	41.5 Å²	41.5	68%	0.682	22%	0.215	S	C	*	.	S	Bend	trans	-65.7	-44.7	174.2	-177.8	-171.6	170.2	0	0	109.5	D238 D307	E214-D238 PolarHBondContact O-N 2.91Å; E214-D307 WeakPolarHBondContact CB-OD2 3.46Å; E214-D307 PolarHBondContact N-OD2 3.28Å
215	K	98.8	Very high	98.6	Very high	64 Å²	64	39 Å²	39	28%	0.278	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.9	176.2	-167.6	167.9	177.1	-160.7	0	112	D238 T305 C306 D307 V308	K215-D238 CarbonylContact C-O 3.6Å; K215-D238 WeakPolarHBondContact CA-O 3.46Å; K215-D238 HydrophobicContact CB-CB 4.43Å; K215-D238 HydrophobicContact CG-CB 4.2Å; K215-T305 VanDerWaalsContact CD-O 3.25Å; K215-T305 WeakPolarHBondContact CD-O 3.46Å; K215-T305 VanDerWaalsContact CE-O 3.27Å; K215-T305 WeakPolarHBondContact CE-O 3.32Å; K215-T305 PolarHBondContact NZ-O 2.82Å; K215-C306 HydrophobicContact CB-CB 4.47Å; K215-C306 HydrophobicContact CG-CB 4.22Å; K215-D307 PolarHBondContact N-OD2 2.98Å; K215-D307 PolarHBondContact O-N 3.48Å; K215-V308 PolarHBondContact O-N 2.95Å
216	M	98.9	Very high	98.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	131.2	-178.3	-174.8	177.8	-176.9	0	0	110.8	P213 V218 W232 D238 V239 T240 V308 L310	P213-M216 HydrophobicContact CG-CB 4.06Å; P213-M216 HydrophobicContact CG-SD 4.36Å; M216-V218 HydrophobicContact CE-CG2 4.23Å; M216-V218 HydrophobicContact CG-CG2 4.42Å; M216-W232 HydrophobicContact SD-CB 3.87Å; M216-W232 HydrophobicContact SD-CG 3.95Å; M216-D238 PolarHBondContact N-O 3.13Å; M216-V239 HydrophobicContact CB-CG2 4.28Å; M216-V239 WeakPolarHBondContact O-CA 3.48Å; M216-T240 PolarHBondContact O-N 2.9Å; M216-V308 WeakPolarHBondContact CA-O 3.45Å; M216-V308 HydrophobicContact CE-CG1 4.46Å; M216-V308 HydrophobicContact CG-CB 4.46Å; M216-V308 HydrophobicContact CG-CG1 4.47Å; M216-L310 HydrophobicContact CE-CB 3.43Å; M216-L310 VanDerWaalsContact CE-CB 3.43Å; M216-L310 HydrophobicContact CE-CD2 3.77Å; M216-L310 HydrophobicContact CE-CG 4.23Å
217	V	98.9	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137.2	168.9	171.6	0	0	0	0	109	T240 V242 V291 I304 C306 V308 L309 L310	V217-T240 WeakPolarHBondContact CA-O 3.47Å; V217-V242 HydrophobicContact CG1-CG2 4.07Å; V217-V291 HydrophobicContact CG1-CG2 4.36Å; V217-I304 HydrophobicContact CG2-CB 4.39Å; V217-I304 HydrophobicContact CG2-CG2 3.68Å; V217-C306 HydrophobicContact CB-CB 4.27Å; V217-C306 HydrophobicContact CG2-CB 3.77Å; V217-V308 PolarHBondContact N-O 2.84Å; V217-L309 HydrophobicContact CB-CD1 3.84Å; V217-L309 HydrophobicContact CG1-CD1 3.68Å; V217-L309 WeakPolarHBondContact O-CA 3.39Å; V217-L310 PolarHBondContact O-N 3.32Å
218	V	98.9	Very high	98.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.2	178.4	-177.6	0	0	0	0	108.6	M216 V239 T240 A241 V242 L310 C312	M216-V218 HydrophobicContact CE-CG2 4.23Å; M216-V218 HydrophobicContact CG-CG2 4.42Å; V218-V239 HydrophobicContact CG2-CG1 3.96Å; V218-T240 PolarHBondContact N-O 2.69Å; V218-A241 HydrophobicContact CB-CB 4.23Å; V218-A241 CarbonylContact O-C 3.45Å; V218-A241 WeakPolarHBondContact O-CA 3.38Å; V218-V242 PolarHBondContact O-N 2.85Å; V218-L310 HydrophobicContact CG1-CB 4.48Å; V218-L310 HydrophobicContact CG1-CD2 3.96Å; V218-L310 HydrophobicContact CG1-CG 4.19Å; V218-L310 HydrophobicContact CG2-CB 4.32Å; V218-L310 HydrophobicContact CG2-CD2 4.22Å; V218-C312 WeakPolarHBondContact CG1-SG 3.36Å
219	I	98.6	Very high	98.6	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	107.7	173.8	-47	-178	0	0	0	108.9	F190 I193 V278 L309 L310 V311 C312 I313	F190-I219 HydrophobicContact CD2-CG2 4.22Å; F190-I219 HydrophobicContact CE2-CG2 4.14Å; I193-I219 HydrophobicContact CD1-CD1 3.86Å; I219-V278 HydrophobicContact CD1-CB 4.39Å; I219-V278 HydrophobicContact CD1-CG1 4.05Å; I219-V278 HydrophobicContact CD1-CG2 4.04Å; I219-V278 HydrophobicContact CG1-CG2 4.08Å; I219-V278 HydrophobicContact CG2-CG2 3.88Å; I219-L309 HydrophobicContact CD1-CD1 3.95Å; I219-L309 HydrophobicContact CD1-CD2 4.21Å; I219-L309 HydrophobicContact CD1-CG 4.31Å; I219-L309 HydrophobicContact CG1-CD1 3.73Å; I219-L309 HydrophobicContact CG1-CG 4.49Å; I219-L310 PolarHBondContact N-O 3.33Å; I219-V311 HydrophobicContact CD1-CG2 4.33Å; I219-C312 CarbonylContact O-C 3.53Å; I219-C312 VanDerWaalsContact O-C 3.26Å; I219-C312 WeakPolarHBondContact O-CA 3.36Å; I219-C312 PolarHBondContact O-N 3.46Å; I219-C312 PolarHBondContact O-SG 2.84Å; I219-I313 HydrophobicContact CB-CG2 4.37Å; I219-I313 HydrophobicContact CG2-CG2 3.64Å; I219-I313 PolarHBondContact O-N 2.92Å
220	G	98.2	Very high	98.6	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	17%	0.174	C	C	.	.			trans	105.7	120.4	-176.7	0	0	0	0	0	112	G222 V242 E243 C312	G220-G222 VanDerWaalsContact C-N 3.35Å; G220-V242 PolarHBondContact N-O 2.78Å; G220-E243 WeakPolarHBondContact CA-OE2 3.45Å; G220-C312 PolarHBondContact O-SG 2.94Å
221	A	98.5	Very high	98.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.			trans	-99.2	28.9	175.7	0	0	0	0	0	112.4	V226 A241 E243 V248 G249 F272	A221-V226 HydrophobicContact CB-CG1 4.42Å; A221-A241 HydrophobicContact CB-CB 4.29Å; A221-E243 HydrophobicContact CB-CB 3.7Å; A221-E243 HydrophobicContact CB-CG 4Å; A221-E243 PolarHBondContact N-OE2 3.01Å; A221-V248 HydrophobicContact CB-CB 4.34Å; A221-V248 HydrophobicContact CB-CG1 3.99Å; A221-G249 PolarHBondContact O-N 3.33Å; A221-F272 HydrophobicContact CB-CD1 4.31Å; A221-F272 HydrophobicContact CB-CE1 4.24Å
222	G	98.1	Very high	98.7	Very high	19 Å²	19	19.4 Å²	19.4	20%	0.196	10%	0.104	C	C	.	.	S	Bend	trans	-70.8	179.9	166.8	0	0	0	0	0	112.5	G220 I224 G225 V226	G220-G222 VanDerWaalsContact C-N 3.35Å; G222-I224 PolarHBondContact O-N 2.87Å; G222-G225 PolarHBondContact O-N 2.54Å; G222-V226 PolarHBondContact O-N 3.35Å
223	V	98.4	Very high	98.7	Very high	48 Å²	48	18.9 Å²	18.9	29%	0.291	10%	0.1	S	C	.	.	H	α-helix	trans	-46.7	-54.8	-176.5	-179.5	0	0	0	0	113.1	G225 V226 E227 G249 I393	V223-G225 VanDerWaalsContact C-N 3.32Å; V223-G225 PolarHBondContact O-N 2.89Å; V223-V226 WeakPolarHBondContact O-CG2 3.35Å; V223-V226 PolarHBondContact O-N 3.42Å; V223-E227 WeakPolarHBondContact O-CB 3.36Å; V223-E227 WeakPolarHBondContact O-CG 3.29Å; V223-E227 PolarHBondContact O-N 2.79Å; V223-G249 WeakPolarHBondContact CG2-O 3.39Å; V223-I393 HydrophobicContact CB-CG1 4.44Å; V223-I393 HydrophobicContact CG1-CB 4.47Å; V223-I393 HydrophobicContact CG1-CG1 4.08Å; V223-I393 HydrophobicContact CG1-CG2 4.34Å; V223-I393 HydrophobicContact CG2-CD1 4.11Å; V223-I393 HydrophobicContact CG2-CG1 3.93Å
224	I	98.4	Very high	98.7	Very high	61 Å²	61	19.3 Å²	19.3	31%	0.313	10%	0.1	S	C	.	.	H	α-helix	trans	-62.4	-40.3	-178	-62.9	173	0	0	0	111.3	G222 L228 C312 R315	G222-I224 PolarHBondContact O-N 2.87Å; I224-L228 HydrophobicContact CG2-CD1 3.76Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 WeakPolarHBondContact O-CG 3.13Å; I224-L228 PolarHBondContact O-N 2.9Å; I224-C312 HydrophobicContact CG2-CB 4.36Å; I224-R315 HydrophobicContact CD1-CG 4.5Å
225	G	98.5	Very high	98.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-66.1	-45.2	-177.4	0	0	0	0	0	112.6	G222 V223 G229 C312	G222-G225 PolarHBondContact O-N 2.54Å; V223-G225 VanDerWaalsContact C-N 3.32Å; V223-G225 PolarHBondContact O-N 2.89Å; G225-G229 PolarHBondContact O-N 2.93Å; G225-C312 WeakPolarHBondContact CA-SG 3.27Å
226	V	98.7	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-72.5	-35.1	178.8	-61.3	0	0	0	0	112.4	A221 G222 V223 S230 F261 L265 F272 I393 T395	A221-V226 HydrophobicContact CB-CG1 4.42Å; G222-V226 PolarHBondContact O-N 3.35Å; V223-V226 WeakPolarHBondContact O-CG2 3.35Å; V223-V226 PolarHBondContact O-N 3.42Å; V226-S230 WeakPolarHBondContact O-CB 3.46Å; V226-S230 PolarHBondContact O-N 3.21Å; V226-F261 HydrophobicContact CG2-CE1 4.15Å; V226-F261 HydrophobicContact CG2-CZ 4.2Å; V226-L265 HydrophobicContact CB-CD1 4.31Å; V226-L265 HydrophobicContact CG1-CD1 4.44Å; V226-F272 HydrophobicContact CG1-CE1 4.19Å; V226-F272 HydrophobicContact CG1-CZ 4.49Å; V226-I393 HydrophobicContact CG2-CG2 3.77Å; V226-T395 HydrophobicContact CG2-CG2 4.42Å
227	E	98.8	Very high	98.7	Very high	6 Å²	6	13 Å²	13	3%	0.028	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-55.8	175	-78.5	-172.5	172.3	0	0	111.4	K89 L92 V223 G229 S230 V231 I393 Y394 T395	K89-E227 IonicContact NZ-OE1 3.82Å; K89-E227 PolarHBondContact NZ-OE1 2.93Å; K89-E227 IonicContact NZ-OE2 3.51Å; K89-E227 PolarHBondContact NZ-OE2 2.91Å; L92-E227 HydrophobicContact CD1-CB 4.06Å; L92-E227 HydrophobicContact CD1-CG 3.93Å; L92-E227 HydrophobicContact CD2-CB 4.34Å; V223-E227 WeakPolarHBondContact O-CB 3.36Å; V223-E227 WeakPolarHBondContact O-CG 3.29Å; V223-E227 PolarHBondContact O-N 2.79Å; E227-G229 PolarHBondContact O-N 3.48Å; E227-S230 PolarHBondContact O-N 2.92Å; E227-V231 WeakPolarHBondContact O-CG2 3.49Å; E227-V231 PolarHBondContact O-N 2.78Å; E227-I393 HydrophobicContact CG-CG2 4.03Å; E227-Y394 WeakPolarHBondContact OE1-CD2 3.45Å; E227-Y394 PolarHBondContact OE1-N 3.05Å; E227-T395 HydrophobicContact CG-CG2 4.44Å
228	L	98.8	Very high	98.7	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-67.6	-37.5	-178	-63.7	-178.6	0	0	0	111.9	A206 L207 I224 S230 V231 W232 L310	A206-L228 HydrophobicContact CB-CD1 4.06Å; L207-L228 HydrophobicContact CD2-CD2 3.58Å; L207-L228 HydrophobicContact CG-CD2 4.08Å; I224-L228 HydrophobicContact CG2-CD1 3.76Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 WeakPolarHBondContact O-CG 3.13Å; I224-L228 PolarHBondContact O-N 2.9Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-S230 PolarHBondContact O-N 2.81Å; L228-V231 PolarHBondContact O-N 3.32Å; L228-W232 PolarHBondContact O-N 3.44Å; L228-L310 HydrophobicContact CB-CD2 3.78Å; L228-L310 HydrophobicContact CD1-CD1 4.48Å; L228-L310 HydrophobicContact CD1-CD2 3.98Å
229	G	98.8	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.7	-41.4	171.9	0	0	0	0	0	112.1	G225 E227 W232 Q233 F270	G225-G229 PolarHBondContact O-N 2.93Å; E227-G229 PolarHBondContact O-N 3.48Å; G229-W232 PolarHBondContact O-N 2.68Å; G229-Q233 WeakPolarHBondContact O-CB 3.49Å; G229-Q233 PolarHBondContact O-N 3.37Å; G229-F270 VanDerWaalsContact C-CE2 3.46Å
230	S	98.8	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.5	-36.9	179.6	-170.8	0	0	0	0	112.1	V226 E227 L228 R234	V226-S230 WeakPolarHBondContact O-CB 3.46Å; V226-S230 PolarHBondContact O-N 3.21Å; E227-S230 PolarHBondContact O-N 2.92Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-S230 PolarHBondContact O-N 2.81Å; S230-R234 WeakPolarHBondContact O-CB 3.39Å; S230-R234 WeakPolarHBondContact O-CD 3.46Å; S230-R234 VanDerWaalsContact O-CG 3.23Å; S230-R234 WeakPolarHBondContact O-CG 3.47Å; S230-R234 PolarHBondContact O-N 2.84Å; S230-R234 PolarHBondContact OG-NE 3.15Å; S230-R234 PolarHBondContact OG-NH2 3.5Å; S230-R234 VanDerWaalsContact OG-NH2 3.07Å
231	V	98.9	Very high	98.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-54.3	-58.6	171.3	170.3	0	0	0	0	110.2	L91 L92 E227 L228 Q233 R234 L235	L91-V231 HydrophobicContact CB-CG1 3.91Å; L91-V231 HydrophobicContact CB-CG2 4.12Å; L92-V231 HydrophobicContact CB-CG2 4.4Å; L92-V231 HydrophobicContact CD2-CG2 3.68Å; L92-V231 HydrophobicContact CG-CG2 3.72Å; E227-V231 WeakPolarHBondContact O-CG2 3.49Å; E227-V231 PolarHBondContact O-N 2.78Å; L228-V231 PolarHBondContact O-N 3.32Å; V231-Q233 VanDerWaalsContact C-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.78Å; V231-R234 PolarHBondContact O-N 3.25Å; V231-L235 HydrophobicContact CG1-CD1 4.1Å; V231-L235 VanDerWaalsContact O-CG 3.3Å; V231-L235 WeakPolarHBondContact O-CG 3.48Å; V231-L235 PolarHBondContact O-N 3.49Å
232	W	98.9	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.7	-32.6	-173.9	-67.3	112.8	0	0	0	112.6	L120 M124 A206 L209 V212 M216 L228 G229 L235 G236 A237	L120-W232 HydrophobicContact CD1-CH2 4.18Å; L120-W232 HydrophobicContact CD1-CZ3 4.1Å; L120-W232 HydrophobicContact CD2-CH2 4.31Å; L120-W232 HydrophobicContact CD2-CZ3 4.18Å; M124-W232 HydrophobicContact CE-CH2 3.54Å; M124-W232 HydrophobicContact CE-CZ2 3.86Å; A206-W232 WeakPolarHBondContact O-CZ2 3.33Å; A206-W232 PolarHBondContact O-NE1 3.04Å; L209-W232 HydrophobicContact CB-CH2 3.61Å; L209-W232 HydrophobicContact CB-CZ2 3.65Å; L209-W232 HydrophobicContact CB-CZ3 4.39Å; L209-W232 HydrophobicContact CD1-CD2 4.03Å; L209-W232 HydrophobicContact CD1-CE3 4.45Å; L209-W232 HydrophobicContact CD1-CH2 4.11Å; L209-W232 HydrophobicContact CD1-CZ2 3.65Å; L209-W232 HydrophobicContact CD1-CZ3 4.48Å; L209-W232 HydrophobicContact CG-CH2 4.15Å; L209-W232 HydrophobicContact CG-CZ2 3.68Å; V212-W232 HydrophobicContact CG1-CE3 4.41Å; V212-W232 HydrophobicContact CG2-CE3 4.28Å; V212-W232 HydrophobicContact CG2-CZ3 4.1Å; M216-W232 HydrophobicContact SD-CB 3.87Å; M216-W232 HydrophobicContact SD-CG 3.95Å; L228-W232 PolarHBondContact O-N 3.44Å; G229-W232 PolarHBondContact O-N 2.68Å; W232-L235 HydrophobicContact CE3-CD1 3.93Å; W232-L235 HydrophobicContact CZ3-CD1 3.97Å; W232-L235 PolarHBondContact O-N 3.22Å; W232-G236 PolarHBondContact O-N 2.92Å; W232-A237 HydrophobicContact CB-CB 4.09Å; W232-A237 VanDerWaalsContact O-CB 3.27Å; W232-A237 WeakPolarHBondContact O-CB 3.49Å; W232-A237 PolarHBondContact O-N 3.37Å
233	Q	98.9	Very high	98.7	Very high	29 Å²	29	15.8 Å²	15.8	14%	0.136	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-47	174	-172.1	-83.4	-46.7	0	0	111.7	G229 V231 L235 G236 V239 Q268	G229-Q233 WeakPolarHBondContact O-CB 3.49Å; G229-Q233 PolarHBondContact O-N 3.37Å; V231-Q233 VanDerWaalsContact C-N 3.34Å; V231-Q233 PolarHBondContact O-N 2.78Å; Q233-L235 PolarHBondContact O-N 3.08Å; Q233-G236 PolarHBondContact O-N 2.83Å; Q233-V239 HydrophobicContact CB-CB 4.17Å; Q233-V239 HydrophobicContact CB-CG2 3.67Å; Q233-V239 HydrophobicContact CG-CG2 4.37Å; Q233-Q268 PolarHBondContact NE2-O 2.86Å
234	R	98.8	Very high	98.7	Very high	13 Å²	13	18.8 Å²	18.8	5%	0.049	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-30.6	176.9	-74.1	170	-171.3	157.7	7.6	113.2	Y98 H99 S230 V231 G236 H396	Y98-R234 WeakPolarHBondContact CD1-O 3.39Å; Y98-R234 WeakPolarHBondContact CE1-O 3.48Å; H99-R234 HydrophobicContact CB-CB 4.22Å; H99-R234 HydrophobicContact CB-CG 4.16Å; S230-R234 WeakPolarHBondContact O-CB 3.39Å; S230-R234 WeakPolarHBondContact O-CD 3.46Å; S230-R234 VanDerWaalsContact O-CG 3.23Å; S230-R234 WeakPolarHBondContact O-CG 3.47Å; S230-R234 PolarHBondContact O-N 2.84Å; S230-R234 PolarHBondContact OG-NE 3.15Å; S230-R234 PolarHBondContact OG-NH2 3.5Å; S230-R234 VanDerWaalsContact OG-NH2 3.07Å; V231-R234 PolarHBondContact O-N 3.25Å; R234-G236 VanDerWaalsContact C-N 3.31Å; R234-H396 VanDerWaalsContact NH2-CB 3.34Å
235	L	98.8	Very high	98.6	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.052	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.5	178.2	-61.3	178.6	0	0	0	113.4	Y98 L118 L120 M123 V212 V231 W232 Q233	Y98-L235 HydrophobicContact CD1-CD2 3.76Å; Y98-L235 HydrophobicContact CE1-CD2 4.35Å; Y98-L235 HydrophobicContact CG-CD2 4.18Å; L118-L235 HydrophobicContact CD1-CD2 3.88Å; L118-L235 HydrophobicContact CD2-CB 4.11Å; L118-L235 HydrophobicContact CD2-CD2 4.05Å; L118-L235 HydrophobicContact CD2-CG 4.47Å; L120-L235 HydrophobicContact CD1-CD1 4.32Å; M123-L235 HydrophobicContact CE-CD2 3.83Å; M123-L235 HydrophobicContact SD-CD1 4.12Å; M123-L235 HydrophobicContact SD-CD2 4Å; V212-L235 HydrophobicContact CG1-CB 4.28Å; V212-L235 HydrophobicContact CG2-CB 3.81Å; V231-L235 HydrophobicContact CG1-CD1 4.1Å; V231-L235 VanDerWaalsContact O-CG 3.3Å; V231-L235 WeakPolarHBondContact O-CG 3.48Å; V231-L235 PolarHBondContact O-N 3.49Å; W232-L235 HydrophobicContact CE3-CD1 3.93Å; W232-L235 HydrophobicContact CZ3-CD1 3.97Å; W232-L235 PolarHBondContact O-N 3.22Å; Q233-L235 PolarHBondContact O-N 3.08Å
236	G	98.5	Very high	98.5	Very high	61 Å²	61	21.6 Å²	21.6	63%	0.629	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	120.5	1.3	172.1	0	0	0	0	0	116.3	W232 Q233 R234	W232-G236 PolarHBondContact O-N 2.92Å; Q233-G236 PolarHBondContact O-N 2.83Å; R234-G236 VanDerWaalsContact C-N 3.31Å
237	A	98.8	Very high	98.5	Very high	6 Å²	6	23.5 Å²	23.5	5%	0.05	14%	0.142	C	C	.	.			trans	-74.4	142.8	178.2	0	0	0	0	0	112.5	V212 P213 W232 V239	V212-A237 HydrophobicContact CG1-CB 4.04Å; P213-A237 HydrophobicContact CG-CB 4Å; P213-A237 VanDerWaalsContact O-CA 3.29Å; P213-A237 WeakPolarHBondContact O-CA 3.37Å; P213-A237 WeakPolarHBondContact O-CB 3.34Å; W232-A237 HydrophobicContact CB-CB 4.09Å; W232-A237 VanDerWaalsContact O-CB 3.27Å; W232-A237 WeakPolarHBondContact O-CB 3.49Å; W232-A237 PolarHBondContact O-N 3.37Å; A237-V239 HydrophobicContact CB-CG2 3.93Å; A237-V239 PolarHBondContact O-N 2.69Å
238	D	98.8	Very high	98.5	Very high	52 Å²	52	23.2 Å²	23.2	28%	0.278	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	103.4	164.2	-178.5	5.2	0	0	0	109.9	E214 K215 M216 K271	E214-D238 PolarHBondContact O-N 2.91Å; K215-D238 CarbonylContact C-O 3.6Å; K215-D238 WeakPolarHBondContact CA-O 3.46Å; K215-D238 HydrophobicContact CB-CB 4.43Å; K215-D238 HydrophobicContact CG-CB 4.2Å; M216-D238 PolarHBondContact N-O 3.13Å; D238-K271 WeakPolarHBondContact OD1-CE 3.37Å; D238-K271 IonicContact OD1-NZ 2.68Å; D238-K271 PolarHBondContact OD1-NZ 2.91Å; D238-K271 IonicContact OD2-NZ 2.8Å; D238-K271 PolarHBondContact OD2-NZ 3.43Å
239	V	98.9	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128	-173.4	-174.5	0	0	0	0	112	M216 V218 Q233 A237 F270 K271	M216-V239 HydrophobicContact CB-CG2 4.28Å; M216-V239 WeakPolarHBondContact O-CA 3.48Å; V218-V239 HydrophobicContact CG2-CG1 3.96Å; Q233-V239 HydrophobicContact CB-CB 4.17Å; Q233-V239 HydrophobicContact CB-CG2 3.67Å; Q233-V239 HydrophobicContact CG-CG2 4.37Å; A237-V239 HydrophobicContact CB-CG2 3.93Å; A237-V239 PolarHBondContact O-N 2.69Å; V239-F270 HydrophobicContact CB-CE1 4.42Å; V239-F270 HydrophobicContact CG1-CD1 4.14Å; V239-F270 HydrophobicContact CG1-CE1 3.57Å; V239-F270 HydrophobicContact CG1-CE2 4.26Å; V239-F270 HydrophobicContact CG1-CZ 3.65Å; V239-K271 WeakPolarHBondContact O-CB 3.19Å; V239-K271 PolarHBondContact O-N 3.21Å
240	T	98.9	Very high	98.4	Very high	10 Å²	10	24.1 Å²	24.1	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118	169.6	-56.5	0	0	0	0	110.9	M216 V217 V218 K271 K273 I304	M216-T240 PolarHBondContact O-N 2.9Å; V217-T240 WeakPolarHBondContact CA-O 3.47Å; V218-T240 PolarHBondContact N-O 2.69Å; T240-K271 CarbonylContact C-O 3.53Å; T240-K271 WeakPolarHBondContact CA-O 3.29Å; T240-K271 HydrophobicContact CG2-CB 4.16Å; T240-K273 HydrophobicContact CG2-CG 4.42Å; T240-I304 HydrophobicContact CG2-CD1 4.47Å
241	A	98.8	Very high	98.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.5	170	0	0	0	0	0	111.1	V218 A221 F270 K271 F272 K273	V218-A241 HydrophobicContact CB-CB 4.23Å; V218-A241 CarbonylContact O-C 3.45Å; V218-A241 WeakPolarHBondContact O-CA 3.38Å; A221-A241 HydrophobicContact CB-CB 4.29Å; A241-F270 HydrophobicContact CB-CE1 3.59Å; A241-F270 HydrophobicContact CB-CZ 4.16Å; A241-K271 PolarHBondContact N-O 2.8Å; A241-F272 HydrophobicContact CB-CD1 3.83Å; A241-F272 HydrophobicContact CB-CE1 3.98Å; A241-F272 CarbonylContact O-C 3.59Å; A241-F272 WeakPolarHBondContact O-CA 3.15Å; A241-K273 PolarHBondContact O-N 3.48Å
242	V	98.6	Very high	98.1	Very high	2 Å²	2	32 Å²	32	1%	0.012	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.3	175.2	-177	0	0	0	0	107.9	V217 V218 G220 K273 T276 V278 I293 I304	V217-V242 HydrophobicContact CG1-CG2 4.07Å; V218-V242 PolarHBondContact O-N 2.85Å; G220-V242 PolarHBondContact N-O 2.78Å; V242-K273 WeakPolarHBondContact CA-O 3.19Å; V242-K273 HydrophobicContact CG2-CB 4.47Å; V242-T276 HydrophobicContact CG1-CG2 3.64Å; V242-V278 HydrophobicContact CB-CG2 4.29Å; V242-V278 HydrophobicContact CG1-CG2 3.8Å; V242-I293 HydrophobicContact CG1-CG2 4.1Å; V242-I293 HydrophobicContact CG2-CG2 4.42Å; V242-I304 HydrophobicContact CG2-CD1 4.35Å
243	E	98.4	Very high	98.1	Very high	28 Å²	28	32 Å²	32	13%	0.131	20%	0.204	C	C	.	.			trans	-130.6	134.8	-176.2	176.6	52.3	-107.5	0	0	110.2	G220 A221 L245 K273 L274 N275 T276	G220-E243 WeakPolarHBondContact CA-OE2 3.45Å; A221-E243 HydrophobicContact CB-CB 3.7Å; A221-E243 HydrophobicContact CB-CG 4Å; A221-E243 PolarHBondContact N-OE2 3.01Å; E243-L245 HydrophobicContact CG-CB 4.1Å; E243-L245 PolarHBondContact OE1-N 2.85Å; E243-K273 PolarHBondContact N-O 2.77Å; E243-L274 HydrophobicContact CB-CD2 3.77Å; E243-L274 HydrophobicContact CG-CD2 4.26Å; E243-L274 CarbonylContact O-C 3.55Å; E243-L274 WeakPolarHBondContact O-CA 3.11Å; E243-N275 PolarHBondContact O-N 2.89Å; E243-T276 CarbonylContact C-O 3.46Å; E243-T276 VanDerWaalsContact C-O 3.25Å; E243-T276 PolarHBondContact O-N 3.05Å; E243-T276 VanDerWaalsContact O-O 3.09Å
244	F	97.2	Very high	98.1	Very high	110 Å²	110	30.7 Å²	30.7	48%	0.482	20%	0.197	S	C	.	.	S	Bend	trans	-71.5	-37.9	178.7	-178.8	-95.7	0	0	0	111.2	N275 T276 K277 A296	F244-N275 WeakPolarHBondContact O-CA 3.42Å; F244-T276 WeakPolarHBondContact CA-O 3.29Å; F244-T276 PolarHBondContact N-O 2.94Å; F244-K277 HydrophobicContact CD2-CB 3.98Å; F244-K277 HydrophobicContact CD2-CG 4.25Å; F244-K277 HydrophobicContact CE2-CB 4.31Å; F244-K277 HydrophobicContact CE2-CD 4.35Å; F244-K277 HydrophobicContact CE2-CG 4.48Å; F244-A296 HydrophobicContact CD2-CB 3.82Å; F244-A296 HydrophobicContact CE2-CB 3.62Å; F244-A296 HydrophobicContact CZ-CB 4.17Å
245	L	96.7	Very high	98.1	Very high	78 Å²	78	33 Å²	33	41%	0.408	21%	0.209	S	C	.	.	S	Bend	trans	-74.9	168.2	177.3	-59.4	178.5	0	0	0	112.6	E243 H247 N275	E243-L245 HydrophobicContact CG-CB 4.1Å; E243-L245 PolarHBondContact OE1-N 2.85Å; L245-H247 VanDerWaalsContact C-N 3.32Å; L245-H247 PolarHBondContact O-N 2.94Å; L245-N275 PolarHBondContact O-N 3.14Å
246	G	97.6	Very high	98.1	Very high	43 Å²	43	35.1 Å²	35.1	44%	0.443	22%	0.219	S	C	.	.	S	Bend	trans	-85.3	4.6	-178.1	0	0	0	0	0	115.2	L274 N275	G246-L274 WeakPolarHBondContact O-CD1 3.32Å; G246-N275 WeakPolarHBondContact CA-OD1 3.36Å
247	H	98.4	Very high	98.1	Very high	41 Å²	41	32.3 Å²	32.3	19%	0.19	19%	0.19	C	C	.	.	S	Bend	trans	-148.8	166.7	-173	70.9	-83.5	0	0	0	112.6	L245 G250 M255	L245-H247 VanDerWaalsContact C-N 3.32Å; L245-H247 PolarHBondContact O-N 2.94Å; H247-G250 PolarHBondContact NE2-O 2.81Å; H247-M255 HydrophobicContact CB-CE 4.43Å; H247-M255 HydrophobicContact CB-SD 3.93Å
248	V	98.4	Very high	98.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-107.5	157.7	179.7	-57.1	0	0	0	0	111.4	A221 S258 F261 Q262 F272 L274	A221-V248 HydrophobicContact CB-CB 4.34Å; A221-V248 HydrophobicContact CB-CG1 3.99Å; V248-S258 WeakPolarHBondContact CG2-O 3.41Å; V248-S258 PolarHBondContact N-OG 2.84Å; V248-S258 PolarHBondContact O-OG 3.36Å; V248-F261 HydrophobicContact CG2-CD1 3.87Å; V248-F261 HydrophobicContact CG2-CE1 4.47Å; V248-Q262 HydrophobicContact CG1-CB 4.35Å; V248-Q262 HydrophobicContact CG1-CG 4.17Å; V248-Q262 HydrophobicContact CG2-CB 3.78Å; V248-Q262 HydrophobicContact CG2-CG 4.5Å; V248-F272 HydrophobicContact CB-CE1 4.49Å; V248-F272 HydrophobicContact CG1-CD1 3.66Å; V248-F272 HydrophobicContact CG1-CE1 3.58Å; V248-F272 HydrophobicContact CG1-CG 4.4Å; V248-F272 HydrophobicContact CG1-CZ 4.26Å; V248-L274 HydrophobicContact CG1-CD1 4.43Å; V248-L274 HydrophobicContact CG1-CD2 3.87Å
249	G	97.7	Very high	98.1	Very high	1 Å²	1	35 Å²	35	1%	0.01	20%	0.198	C	C	.	.	S	Bend	trans	99.2	-9.4	172.8	0	0	0	0	0	115.3	A221 V223	A221-G249 PolarHBondContact O-N 3.33Å; V223-G249 WeakPolarHBondContact CG2-O 3.39Å
250	G	96.6	Very high	98.1	Very high	21 Å²	21	36.9 Å²	36.9	22%	0.216	21%	0.208	C	C	.	.			trans	93.5	-160.9	174.6	0	0	0	0	0	114.3	H247 I253	H247-G250 PolarHBondContact NE2-O 2.81Å; G250-I253 WeakPolarHBondContact O-CG2 3.22Å
251	V	96.1	Very high	98.1	Very high	139 Å²	139	36.4 Å²	36.4	84%	0.842	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	139.1	-176.2	177.6	0	0	0	0	110.3	I253	V251-I253 VanDerWaalsContact C-N 3.35Å; V251-I253 PolarHBondContact O-N 2.89Å
252	G	96.5	Very high	98.1	Very high	27 Å²	27	38 Å²	38	28%	0.278	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-9.3	172.8	0	0	0	0	0	115.6	W401	G252-W401 PolarHBondContact O-NE1 3.25Å
253	I	98.6	Very high	98.1	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.233	C	C	.	.			trans	-65.6	142	171	-167.3	171	0	0	0	110.4	G250 V251 M255 I257 I393 V399 W401	G250-I253 WeakPolarHBondContact O-CG2 3.22Å; V251-I253 VanDerWaalsContact C-N 3.35Å; V251-I253 PolarHBondContact O-N 2.89Å; I253-M255 HydrophobicContact CG2-CE 3.84Å; I253-M255 WeakPolarHBondContact O-CE 3.37Å; I253-I257 HydrophobicContact CD1-CG2 4.45Å; I253-I257 HydrophobicContact CG1-CG2 4.41Å; I253-I393 HydrophobicContact CD1-CD1 4.43Å; I253-V399 HydrophobicContact CD1-CG1 4.16Å; I253-W401 HydrophobicContact CB-CH2 4.11Å; I253-W401 HydrophobicContact CB-CZ2 4.16Å; I253-W401 HydrophobicContact CB-CZ3 4.41Å; I253-W401 HydrophobicContact CD1-CZ3 4.28Å; I253-W401 HydrophobicContact CG1-CE3 4.37Å; I253-W401 HydrophobicContact CG1-CH2 4.41Å; I253-W401 HydrophobicContact CG1-CZ3 4.2Å
254	D	98.8	Very high	98.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.			trans	-65.6	133.6	171.2	174.6	-86	0	0	0	111.6	E256 I257 S258 E406 K440 H454	D254-E256 VanDerWaalsContact C-N 3.34Å; D254-E256 PolarHBondContact O-N 2.84Å; D254-E256 WeakPolarHBondContact OD1-CB 3.46Å; D254-E256 PolarHBondContact OD1-N 3Å; D254-I257 HydrophobicContact CB-CB 4.13Å; D254-I257 HydrophobicContact CB-CG1 4.08Å; D254-I257 PolarHBondContact O-N 2.86Å; D254-I257 PolarHBondContact OD1-N 2.84Å; D254-I257 VanDerWaalsContact OD1-N 3.08Å; D254-S258 WeakPolarHBondContact O-CB 3.05Å; D254-S258 PolarHBondContact O-N 3.22Å; D254-E406 PolarHBondContact OD2-N 3.09Å; D254-K440 IonicContact OD1-NZ 3.05Å; D254-K440 PolarHBondContact OD1-NZ 2.78Å; D254-K440 WeakPolarHBondContact OD2-CE 3.36Å; D254-K440 IonicContact OD2-NZ 3.89Å; D254-K440 PolarHBondContact OD2-NZ 2.92Å; D254-H454 HydrophobicContact CB-CB 4.49Å
255	M	98.7	Very high	98.2	Very high	61 Å²	61	37.7 Å²	37.7	30%	0.3	21%	0.207	S	C	.	.	H	α-helix	trans	-67.8	-30	-172.2	-69.9	-60.5	100.4	0	0	114.2	H247 I253 K259 E407	H247-M255 HydrophobicContact CB-CE 4.43Å; H247-M255 HydrophobicContact CB-SD 3.93Å; I253-M255 HydrophobicContact CG2-CE 3.84Å; I253-M255 WeakPolarHBondContact O-CE 3.37Å; M255-K259 WeakPolarHBondContact O-CB 3.24Å; M255-K259 PolarHBondContact O-N 2.96Å; M255-E407 HydrophobicContact CB-CG 4.46Å; M255-E407 WeakPolarHBondContact CB-OE1 3.39Å; M255-E407 HydrophobicContact CG-CG 3.7Å; M255-E407 PolarHBondContact N-OE2 2.87Å; M255-E407 VanDerWaalsContact N-OE2 3.09Å
256	E	98.8	Very high	98.3	Very high	56 Å²	56	38 Å²	38	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-70.9	-42.4	175.3	-175.9	-177	-164.5	0	0	110.8	D254 K259 N260 K420 M438 K440	D254-E256 VanDerWaalsContact C-N 3.34Å; D254-E256 PolarHBondContact O-N 2.84Å; D254-E256 WeakPolarHBondContact OD1-CB 3.46Å; D254-E256 PolarHBondContact OD1-N 3Å; E256-K259 PolarHBondContact O-N 3.21Å; E256-N260 PolarHBondContact O-N 3.5Å; E256-K420 IonicContact OE1-NZ 2.62Å; E256-K420 PolarHBondContact OE1-NZ 2.91Å; E256-K420 WeakPolarHBondContact OE2-CE 3.47Å; E256-K420 IonicContact OE2-NZ 2.71Å; E256-K420 PolarHBondContact OE2-NZ 3.23Å; E256-M438 HydrophobicContact CG-CE 3.93Å; E256-K440 IonicContact OE2-NZ 3.82Å; E256-K440 PolarHBondContact OE2-NZ 3.34Å
257	I	98.8	Very high	98.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-47.5	174.9	-66.5	-72.1	0	0	0	110.4	I253 D254 K259 N260 F261 V399 M438 K440 H454 L456	I253-I257 HydrophobicContact CD1-CG2 4.45Å; I253-I257 HydrophobicContact CG1-CG2 4.41Å; D254-I257 HydrophobicContact CB-CB 4.13Å; D254-I257 HydrophobicContact CB-CG1 4.08Å; D254-I257 PolarHBondContact O-N 2.86Å; D254-I257 PolarHBondContact OD1-N 2.84Å; D254-I257 VanDerWaalsContact OD1-N 3.08Å; I257-K259 VanDerWaalsContact C-N 3.35Å; I257-K259 PolarHBondContact O-N 2.99Å; I257-N260 PolarHBondContact O-N 3.47Å; I257-F261 WeakPolarHBondContact O-CB 3.48Å; I257-F261 PolarHBondContact O-N 3.2Å; I257-V399 HydrophobicContact CG2-CG1 3.68Å; I257-M438 HydrophobicContact CD1-CE 3.64Å; I257-M438 HydrophobicContact CD1-CG 4.23Å; I257-M438 HydrophobicContact CG1-CE 4.4Å; I257-K440 HydrophobicContact CD1-CB 4.37Å; I257-K440 HydrophobicContact CG1-CD 4.34Å; I257-H454 HydrophobicContact CD1-CB 4.29Å; I257-H454 HydrophobicContact CG1-CB 3.84Å; I257-L456 HydrophobicContact CD1-CB 4.04Å; I257-L456 HydrophobicContact CG2-CB 4.14Å
258	S	98.8	Very high	98.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-56.1	-46.1	176	179	0	0	0	0	112.3	V248 D254 F261 Q262	V248-S258 WeakPolarHBondContact CG2-O 3.41Å; V248-S258 PolarHBondContact N-OG 2.84Å; V248-S258 PolarHBondContact O-OG 3.36Å; D254-S258 WeakPolarHBondContact O-CB 3.05Å; D254-S258 PolarHBondContact O-N 3.22Å; S258-F261 PolarHBondContact O-N 3.18Å; S258-Q262 WeakPolarHBondContact O-CB 3.38Å; S258-Q262 PolarHBondContact O-N 3.17Å
259	K	98.7	Very high	98.3	Very high	113 Å²	113	46.3 Å²	46.3	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-43	178.8	-176.8	179.8	-176.2	179.5	0	112.6	M255 E256 I257 R263	M255-K259 WeakPolarHBondContact O-CB 3.24Å; M255-K259 PolarHBondContact O-N 2.96Å; E256-K259 PolarHBondContact O-N 3.21Å; I257-K259 VanDerWaalsContact C-N 3.35Å; I257-K259 PolarHBondContact O-N 2.99Å; K259-R263 VanDerWaalsContact CE-NH2 3.34Å; K259-R263 WeakPolarHBondContact O-CG 3.34Å; K259-R263 PolarHBondContact O-N 3.3Å
260	N	98.7	Very high	98.4	Very high	39 Å²	39	46.3 Å²	46.3	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-70.4	-38.4	178.4	-72.4	-18.1	0	0	0	111.4	E256 I257 R263 I264 L456	E256-N260 PolarHBondContact O-N 3.5Å; I257-N260 PolarHBondContact O-N 3.47Å; N260-R263 PolarHBondContact O-N 3.19Å; N260-R263 PolarHBondContact OD1-NH1 3.46Å; N260-R263 VanDerWaalsContact OD1-NH1 3.1Å; N260-I264 WeakPolarHBondContact O-CG1 3.48Å; N260-I264 PolarHBondContact O-N 3.35Å; N260-I264 VanDerWaalsContact O-N 3.11Å; N260-L456 HydrophobicContact CB-CD2 3.65Å
261	F	98.8	Very high	98.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-49.7	173.4	176.9	-135.8	0	0	0	111.8	V226 V248 I257 S258 R263 I264 L265 I393 T395 V399 L456	V226-F261 HydrophobicContact CG2-CE1 4.15Å; V226-F261 HydrophobicContact CG2-CZ 4.2Å; V248-F261 HydrophobicContact CG2-CD1 3.87Å; V248-F261 HydrophobicContact CG2-CE1 4.47Å; I257-F261 WeakPolarHBondContact O-CB 3.48Å; I257-F261 PolarHBondContact O-N 3.2Å; S258-F261 PolarHBondContact O-N 3.18Å; F261-R263 VanDerWaalsContact C-N 3.31Å; F261-R263 PolarHBondContact O-N 3.04Å; F261-I264 PolarHBondContact O-N 3.44Å; F261-I264 VanDerWaalsContact O-N 3.15Å; F261-L265 HydrophobicContact CD1-CD1 4.48Å; F261-L265 HydrophobicContact CD2-CD1 4.23Å; F261-L265 HydrophobicContact CD2-CG 4.04Å; F261-L265 HydrophobicContact CE1-CD1 3.93Å; F261-L265 HydrophobicContact CE2-CD1 3.62Å; F261-L265 HydrophobicContact CE2-CD2 3.86Å; F261-L265 HydrophobicContact CE2-CG 3.66Å; F261-L265 HydrophobicContact CZ-CD1 3.48Å; F261-L265 VanDerWaalsContact CZ-CD1 3.48Å; F261-L265 HydrophobicContact CZ-CD2 4.39Å; F261-L265 HydrophobicContact CZ-CG 4.08Å; F261-L265 PolarHBondContact O-N 2.89Å; F261-I393 HydrophobicContact CE1-CD1 4.06Å; F261-I393 HydrophobicContact CE1-CG2 4.47Å; F261-I393 HydrophobicContact CZ-CG2 4.13Å; F261-T395 HydrophobicContact CE2-CG2 4.36Å; F261-T395 WeakPolarHBondContact CE2-OG1 3.38Å; F261-T395 HydrophobicContact CZ-CG2 3.97Å; F261-T395 VanDerWaalsContact CZ-OG1 3.23Å; F261-T395 WeakPolarHBondContact CZ-OG1 3.25Å; F261-V399 HydrophobicContact CB-CG2 4.28Å; F261-V399 HydrophobicContact CD1-CG2 3.92Å; F261-V399 HydrophobicContact CD2-CG2 3.55Å; F261-V399 HydrophobicContact CE1-CG2 4.05Å; F261-V399 HydrophobicContact CE2-CG2 3.71Å; F261-V399 HydrophobicContact CG-CG2 3.66Å; F261-V399 HydrophobicContact CZ-CG2 3.93Å; F261-L456 HydrophobicContact CB-CD1 3.99Å; F261-L456 HydrophobicContact CB-CD2 4.29Å; F261-L456 HydrophobicContact CD2-CD1 3.91Å; F261-L456 HydrophobicContact CG-CD1 4.33Å
262	Q	98.8	Very high	98.6	Very high	33 Å²	33	44.6 Å²	44.6	15%	0.154	22%	0.216	C	C	.	.	H	α-helix	trans	-54.4	-46.6	175.2	-175.7	-172.3	-9.9	0	0	111.8	V248 S258 I264 L265 Q266 F272	V248-Q262 HydrophobicContact CG1-CB 4.35Å; V248-Q262 HydrophobicContact CG1-CG 4.17Å; V248-Q262 HydrophobicContact CG2-CB 3.78Å; V248-Q262 HydrophobicContact CG2-CG 4.5Å; S258-Q262 WeakPolarHBondContact O-CB 3.38Å; S258-Q262 PolarHBondContact O-N 3.17Å; Q262-I264 VanDerWaalsContact C-N 3.3Å; Q262-I264 PolarHBondContact O-N 3.27Å; Q262-L265 PolarHBondContact O-N 3.12Å; Q262-Q266 HydrophobicContact CG-CG 4.41Å; Q262-Q266 WeakPolarHBondContact O-CB 3.44Å; Q262-Q266 VanDerWaalsContact O-CG 3.31Å; Q262-Q266 WeakPolarHBondContact O-CG 3.12Å; Q262-Q266 PolarHBondContact O-N 2.99Å; Q262-F272 HydrophobicContact CG-CD2 3.96Å; Q262-F272 HydrophobicContact CG-CE2 4.2Å; Q262-F272 HydrophobicContact CG-CG 4.34Å
263	R	98.7	Very high	98.7	Very high	121 Å²	121	46.1 Å²	46.1	46%	0.457	22%	0.215	S	C	.	.	H	α-helix	trans	-60.4	-39.8	179.9	-74.9	166.4	171	172.5	-12.3	112.2	K259 N260 F261 K267	K259-R263 VanDerWaalsContact CE-NH2 3.34Å; K259-R263 WeakPolarHBondContact O-CG 3.34Å; K259-R263 PolarHBondContact O-N 3.3Å; N260-R263 PolarHBondContact O-N 3.19Å; N260-R263 PolarHBondContact OD1-NH1 3.46Å; N260-R263 VanDerWaalsContact OD1-NH1 3.1Å; F261-R263 VanDerWaalsContact C-N 3.31Å; F261-R263 PolarHBondContact O-N 3.04Å; R263-K267 WeakPolarHBondContact O-CG 3.33Å; R263-K267 PolarHBondContact O-N 3.32Å; R263-K267 VanDerWaalsContact O-N 3.1Å
264	I	98.7	Very high	98.6	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-68.2	-46.8	178.3	-65.6	160.2	0	0	0	110.1	N260 F261 Q262 Q266 K267 Q268 P397 D436 L456	N260-I264 WeakPolarHBondContact O-CG1 3.48Å; N260-I264 PolarHBondContact O-N 3.35Å; N260-I264 VanDerWaalsContact O-N 3.11Å; F261-I264 PolarHBondContact O-N 3.44Å; F261-I264 VanDerWaalsContact O-N 3.15Å; Q262-I264 VanDerWaalsContact C-N 3.3Å; Q262-I264 PolarHBondContact O-N 3.27Å; I264-Q266 VanDerWaalsContact C-N 3.29Å; I264-Q266 PolarHBondContact O-N 3.46Å; I264-K267 WeakPolarHBondContact O-CB 3.32Å; I264-K267 PolarHBondContact O-N 2.93Å; I264-K267 VanDerWaalsContact O-N 3.1Å; I264-Q268 WeakPolarHBondContact O-CG 3.44Å; I264-Q268 PolarHBondContact O-N 2.89Å; I264-Q268 VanDerWaalsContact O-N 3.14Å; I264-P397 HydrophobicContact CD1-CG 4.07Å; I264-P397 VanDerWaalsContact CG2-CD 3.47Å; I264-P397 HydrophobicContact CG2-CG 3.86Å; I264-D436 HydrophobicContact CD1-CB 4.06Å; I264-L456 HydrophobicContact CD1-CD1 4.33Å; I264-L456 HydrophobicContact CD1-CD2 3.98Å; I264-L456 HydrophobicContact CD1-CG 4.32Å
265	L	98.8	Very high	98.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-38.3	176	-67	-173	0	0	0	112.5	V226 F261 Q262 K267 Q268 G269 F270 F272	V226-L265 HydrophobicContact CB-CD1 4.31Å; V226-L265 HydrophobicContact CG1-CD1 4.44Å; F261-L265 HydrophobicContact CD1-CD1 4.48Å; F261-L265 HydrophobicContact CD2-CD1 4.23Å; F261-L265 HydrophobicContact CD2-CG 4.04Å; F261-L265 HydrophobicContact CE1-CD1 3.93Å; F261-L265 HydrophobicContact CE2-CD1 3.62Å; F261-L265 HydrophobicContact CE2-CD2 3.86Å; F261-L265 HydrophobicContact CE2-CG 3.66Å; F261-L265 HydrophobicContact CZ-CD1 3.48Å; F261-L265 VanDerWaalsContact CZ-CD1 3.48Å; F261-L265 HydrophobicContact CZ-CD2 4.39Å; F261-L265 HydrophobicContact CZ-CG 4.08Å; F261-L265 PolarHBondContact O-N 2.89Å; Q262-L265 PolarHBondContact O-N 3.12Å; L265-K267 PolarHBondContact O-N 3.09Å; L265-Q268 WeakPolarHBondContact O-CB 3.2Å; L265-Q268 PolarHBondContact O-N 3.1Å; L265-Q268 VanDerWaalsContact O-N 3.14Å; L265-G269 PolarHBondContact O-N 3.35Å; L265-F270 HydrophobicContact CB-CB 4.13Å; L265-F270 VanDerWaalsContact O-CB 3.25Å; L265-F270 WeakPolarHBondContact O-CB 3.45Å; L265-F270 PolarHBondContact O-N 2.93Å; L265-F272 HydrophobicContact CB-CE2 3.89Å; L265-F272 HydrophobicContact CB-CZ 4.12Å; L265-F272 HydrophobicContact CD1-CE2 4.44Å; L265-F272 HydrophobicContact CD1-CZ 3.83Å
266	Q	98.8	Very high	98.5	Very high	86 Å²	86	49.9 Å²	49.9	40%	0.402	24%	0.236	S	C	.	.	H	α-helix	trans	-62.5	-40.3	174.3	-75.7	176.8	-41.2	0	0	112.6	Q262 I264 Q268 G269 F270 F272	Q262-Q266 HydrophobicContact CG-CG 4.41Å; Q262-Q266 WeakPolarHBondContact O-CB 3.44Å; Q262-Q266 VanDerWaalsContact O-CG 3.31Å; Q262-Q266 WeakPolarHBondContact O-CG 3.12Å; Q262-Q266 PolarHBondContact O-N 2.99Å; I264-Q266 VanDerWaalsContact C-N 3.29Å; I264-Q266 PolarHBondContact O-N 3.46Å; Q266-Q268 PolarHBondContact O-N 2.94Å; Q266-G269 PolarHBondContact O-N 3.29Å; Q266-F270 WeakPolarHBondContact CA-O 3.04Å; Q266-F270 WeakPolarHBondContact CG-O 3.35Å; Q266-F272 HydrophobicContact CG-CD2 3.66Å; Q266-F272 HydrophobicContact CG-CE2 4.07Å
267	K	98.4	Very high	98.5	Very high	177 Å²	177	50.9 Å²	50.9	77%	0.77	24%	0.24	S	C	*	.	H	α-helix	trans	-63.7	-28.3	174.2	-73.1	176	180	-178.4	0	112.7	R263 I264 L265 G269	R263-K267 WeakPolarHBondContact O-CG 3.33Å; R263-K267 PolarHBondContact O-N 3.32Å; R263-K267 VanDerWaalsContact O-N 3.1Å; I264-K267 WeakPolarHBondContact O-CB 3.32Å; I264-K267 PolarHBondContact O-N 2.93Å; I264-K267 VanDerWaalsContact O-N 3.1Å; L265-K267 PolarHBondContact O-N 3.09Å; K267-G269 PolarHBondContact O-N 2.63Å
268	Q	98.3	Very high	98.4	Very high	46 Å²	46	51.3 Å²	51.3	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-75	-13.2	174.3	-64.1	173.2	7.7	0	0	113	Q233 I264 L265 Q266 H396	Q233-Q268 PolarHBondContact NE2-O 2.86Å; I264-Q268 WeakPolarHBondContact O-CG 3.44Å; I264-Q268 PolarHBondContact O-N 2.89Å; I264-Q268 VanDerWaalsContact O-N 3.14Å; L265-Q268 WeakPolarHBondContact O-CB 3.2Å; L265-Q268 PolarHBondContact O-N 3.1Å; L265-Q268 VanDerWaalsContact O-N 3.14Å; Q266-Q268 PolarHBondContact O-N 2.94Å; Q268-H396 PolarHBondContact NE2-O 3.2Å
269	G	98.5	Very high	98.3	Very high	34 Å²	34	54.9 Å²	54.9	35%	0.351	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	109	-0	-179	0	0	0	0	0	114.4	L265 Q266 K267 K271	L265-G269 PolarHBondContact O-N 3.35Å; Q266-G269 PolarHBondContact O-N 3.29Å; K267-G269 PolarHBondContact O-N 2.63Å; G269-K271 PolarHBondContact O-N 3.06Å
270	F	98.7	Very high	98.2	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.009	25%	0.251	C	S	.	.			trans	-75.5	116.3	177.9	-156.7	-41.2	0	0	0	110.4	G229 V239 A241 L265 Q266 F272	G229-F270 VanDerWaalsContact C-CE2 3.46Å; V239-F270 HydrophobicContact CB-CE1 4.42Å; V239-F270 HydrophobicContact CG1-CD1 4.14Å; V239-F270 HydrophobicContact CG1-CE1 3.57Å; V239-F270 HydrophobicContact CG1-CE2 4.26Å; V239-F270 HydrophobicContact CG1-CZ 3.65Å; A241-F270 HydrophobicContact CB-CE1 3.59Å; A241-F270 HydrophobicContact CB-CZ 4.16Å; L265-F270 HydrophobicContact CB-CB 4.13Å; L265-F270 VanDerWaalsContact O-CB 3.25Å; L265-F270 WeakPolarHBondContact O-CB 3.45Å; L265-F270 PolarHBondContact O-N 2.93Å; Q266-F270 WeakPolarHBondContact CA-O 3.04Å; Q266-F270 WeakPolarHBondContact CG-O 3.35Å; F270-F272 HydrophobicContact CB-CE2 4.14Å; F270-F272 HydrophobicContact CD1-CD2 4.42Å; F270-F272 HydrophobicContact CD1-CE1 4.18Å; F270-F272 AromaticContact CD1-CE2 3.87Å; F270-F272 HydrophobicContact CD1-CE2 3.87Å; F270-F272 AromaticContact CD1-CZ 3.73Å; F270-F272 HydrophobicContact CD1-CZ 3.73Å; F270-F272 HydrophobicContact CD2-CZ 4.49Å; F270-F272 HydrophobicContact CE1-CE1 4.09Å; F270-F272 HydrophobicContact CE1-CZ 4.03Å; F270-F272 HydrophobicContact CG-CE2 4.09Å; F270-F272 HydrophobicContact CG-CZ 4.01Å
271	K	98.8	Very high	98.2	Very high	98 Å²	98	49.4 Å²	49.4	43%	0.426	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	144.8	179.7	-61.7	162.7	-171.1	162.9	0	111.6	D238 V239 T240 A241 G269	D238-K271 WeakPolarHBondContact OD1-CE 3.37Å; D238-K271 IonicContact OD1-NZ 2.68Å; D238-K271 PolarHBondContact OD1-NZ 2.91Å; D238-K271 IonicContact OD2-NZ 2.8Å; D238-K271 PolarHBondContact OD2-NZ 3.43Å; V239-K271 WeakPolarHBondContact O-CB 3.19Å; V239-K271 PolarHBondContact O-N 3.21Å; T240-K271 CarbonylContact C-O 3.53Å; T240-K271 WeakPolarHBondContact CA-O 3.29Å; T240-K271 HydrophobicContact CG2-CB 4.16Å; A241-K271 PolarHBondContact N-O 2.8Å; G269-K271 PolarHBondContact O-N 3.06Å
272	F	98.7	Very high	98.2	Very high	25 Å²	25	53.9 Å²	53.9	11%	0.11	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.8	177	-66.1	-88	0	0	0	111	A221 V226 A241 V248 Q262 L265 Q266 F270 L274	A221-F272 HydrophobicContact CB-CD1 4.31Å; A221-F272 HydrophobicContact CB-CE1 4.24Å; V226-F272 HydrophobicContact CG1-CE1 4.19Å; V226-F272 HydrophobicContact CG1-CZ 4.49Å; A241-F272 HydrophobicContact CB-CD1 3.83Å; A241-F272 HydrophobicContact CB-CE1 3.98Å; A241-F272 CarbonylContact O-C 3.59Å; A241-F272 WeakPolarHBondContact O-CA 3.15Å; V248-F272 HydrophobicContact CB-CE1 4.49Å; V248-F272 HydrophobicContact CG1-CD1 3.66Å; V248-F272 HydrophobicContact CG1-CE1 3.58Å; V248-F272 HydrophobicContact CG1-CG 4.4Å; V248-F272 HydrophobicContact CG1-CZ 4.26Å; Q262-F272 HydrophobicContact CG-CD2 3.96Å; Q262-F272 HydrophobicContact CG-CE2 4.2Å; Q262-F272 HydrophobicContact CG-CG 4.34Å; L265-F272 HydrophobicContact CB-CE2 3.89Å; L265-F272 HydrophobicContact CB-CZ 4.12Å; L265-F272 HydrophobicContact CD1-CE2 4.44Å; L265-F272 HydrophobicContact CD1-CZ 3.83Å; Q266-F272 HydrophobicContact CG-CD2 3.66Å; Q266-F272 HydrophobicContact CG-CE2 4.07Å; F270-F272 HydrophobicContact CB-CE2 4.14Å; F270-F272 HydrophobicContact CD1-CD2 4.42Å; F270-F272 HydrophobicContact CD1-CE1 4.18Å; F270-F272 AromaticContact CD1-CE2 3.87Å; F270-F272 HydrophobicContact CD1-CE2 3.87Å; F270-F272 AromaticContact CD1-CZ 3.73Å; F270-F272 HydrophobicContact CD1-CZ 3.73Å; F270-F272 HydrophobicContact CD2-CZ 4.49Å; F270-F272 HydrophobicContact CE1-CE1 4.09Å; F270-F272 HydrophobicContact CE1-CZ 4.03Å; F270-F272 HydrophobicContact CG-CE2 4.09Å; F270-F272 HydrophobicContact CG-CZ 4.01Å; F272-L274 HydrophobicContact CB-CD2 4.17Å; F272-L274 HydrophobicContact CB-CG 4.32Å; F272-L274 HydrophobicContact CD1-CD2 4.26Å
273	K	98.1	Very high	98.1	Very high	59 Å²	59	56.6 Å²	56.6	26%	0.257	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	88.8	162.7	-71.8	-174.3	-177.2	-98.3	0	108	T240 A241 V242 E243 T276 I293 E302 I304	T240-K273 HydrophobicContact CG2-CG 4.42Å; A241-K273 PolarHBondContact O-N 3.48Å; V242-K273 WeakPolarHBondContact CA-O 3.19Å; V242-K273 HydrophobicContact CG2-CB 4.47Å; E243-K273 PolarHBondContact N-O 2.77Å; K273-T276 HydrophobicContact CB-CG2 4.29Å; K273-T276 WeakPolarHBondContact O-CB 3.35Å; K273-T276 PolarHBondContact O-OG1 3.46Å; K273-I293 HydrophobicContact CD-CD1 3.42Å; K273-I293 VanDerWaalsContact CD-CD1 3.42Å; K273-E302 IonicContact NZ-OE1 2.78Å; K273-E302 PolarHBondContact NZ-OE1 3.37Å; K273-E302 IonicContact NZ-OE2 2.88Å; K273-E302 PolarHBondContact NZ-OE2 3.27Å; K273-I304 HydrophobicContact CD-CD1 3.78Å
274	L	98	Very high	98	Very high	29 Å²	29	54 Å²	54	15%	0.152	28%	0.279	C	S	.	.			trans	-80.3	167.6	174.7	-52.5	-173.1	0	0	0	110.3	E243 G246 V248 F272 T276	E243-L274 HydrophobicContact CB-CD2 3.77Å; E243-L274 HydrophobicContact CG-CD2 4.26Å; E243-L274 CarbonylContact O-C 3.55Å; E243-L274 WeakPolarHBondContact O-CA 3.11Å; G246-L274 WeakPolarHBondContact O-CD1 3.32Å; V248-L274 HydrophobicContact CG1-CD1 4.43Å; V248-L274 HydrophobicContact CG1-CD2 3.87Å; F272-L274 HydrophobicContact CB-CD2 4.17Å; F272-L274 HydrophobicContact CB-CG 4.32Å; F272-L274 HydrophobicContact CD1-CD2 4.26Å; L274-T276 PolarHBondContact O-N 3.48Å; L274-T276 VanDerWaalsContact O-N 3.14Å; L274-T276 PolarHBondContact O-OG1 3Å
275	N	97.7	Very high	97.9	Very high	94 Å²	94	60 Å²	60	50%	0.503	32%	0.321	S	S	.	.	S	Bend	trans	48.5	39.4	-175.1	-56.8	-67.7	0	0	0	111.9	E243 F244 L245 G246 A296	E243-N275 PolarHBondContact O-N 2.89Å; F244-N275 WeakPolarHBondContact O-CA 3.42Å; L245-N275 PolarHBondContact O-N 3.14Å; G246-N275 WeakPolarHBondContact CA-OD1 3.36Å; N275-A296 VanDerWaalsContact C-CB 3.47Å; N275-A296 WeakPolarHBondContact O-CB 3.29Å; N275-A296 PolarHBondContact O-N 2.96Å
276	T	98	Very high	97.8	Very high	19 Å²	19	64.6 Å²	64.6	12%	0.117	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.9	-172.2	-59.1	0	0	0	0	109.7	V242 E243 F244 K273 L274 I293 E294	V242-T276 HydrophobicContact CG1-CG2 3.64Å; E243-T276 CarbonylContact C-O 3.46Å; E243-T276 VanDerWaalsContact C-O 3.25Å; E243-T276 PolarHBondContact O-N 3.05Å; E243-T276 VanDerWaalsContact O-O 3.09Å; F244-T276 WeakPolarHBondContact CA-O 3.29Å; F244-T276 PolarHBondContact N-O 2.94Å; K273-T276 HydrophobicContact CB-CG2 4.29Å; K273-T276 WeakPolarHBondContact O-CB 3.35Å; K273-T276 PolarHBondContact O-OG1 3.46Å; L274-T276 PolarHBondContact O-N 3.48Å; L274-T276 VanDerWaalsContact O-N 3.14Å; L274-T276 PolarHBondContact O-OG1 3Å; T276-I293 HydrophobicContact CG2-CB 3.81Å; T276-I293 HydrophobicContact CG2-CD1 3.83Å; T276-I293 HydrophobicContact CG2-CG1 4.36Å; T276-I293 HydrophobicContact CG2-CG2 4.33Å; T276-E294 CarbonylContact C-O 3.54Å; T276-E294 WeakPolarHBondContact CA-O 3.37Å; T276-E294 WeakPolarHBondContact CG2-O 3.39Å
277	K	97	Very high	97.6	Very high	77 Å²	77	62.7 Å²	62.7	34%	0.335	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.2	179.2	-174.7	176.9	65.6	-170.5	0	109.8	F244 I293 E294	F244-K277 HydrophobicContact CD2-CB 3.98Å; F244-K277 HydrophobicContact CD2-CG 4.25Å; F244-K277 HydrophobicContact CE2-CB 4.31Å; F244-K277 HydrophobicContact CE2-CD 4.35Å; F244-K277 HydrophobicContact CE2-CG 4.48Å; K277-I293 CarbonylContact O-C 3.31Å; K277-I293 VanDerWaalsContact O-CA 3.24Å; K277-I293 WeakPolarHBondContact O-CA 3.48Å; K277-E294 HydrophobicContact CB-CG 4.33Å; K277-E294 WeakPolarHBondContact CE-OE1 3.34Å; K277-E294 PolarHBondContact N-O 3.17Å; K277-E294 IonicContact NZ-OE1 2.56Å; K277-E294 PolarHBondContact NZ-OE1 2.58Å; K277-E294 PolarHBondContact O-N 3.38Å
278	V	97.8	Very high	97.6	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.067	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.3	166.1	178.2	0	0	0	0	108.6	F190 I193 I219 V242 V291 S292 I293	F190-V278 HydrophobicContact CE2-CB 4.24Å; F190-V278 HydrophobicContact CZ-CB 3.97Å; F190-V278 HydrophobicContact CZ-CG1 4.19Å; F190-V278 WeakPolarHBondContact CZ-O 3.42Å; I193-V278 HydrophobicContact CD1-CG1 3.98Å; I219-V278 HydrophobicContact CD1-CB 4.39Å; I219-V278 HydrophobicContact CD1-CG1 4.05Å; I219-V278 HydrophobicContact CD1-CG2 4.04Å; I219-V278 HydrophobicContact CG1-CG2 4.08Å; I219-V278 HydrophobicContact CG2-CG2 3.88Å; V242-V278 HydrophobicContact CB-CG2 4.29Å; V242-V278 HydrophobicContact CG1-CG2 3.8Å; V278-V291 HydrophobicContact CG1-CG1 3.8Å; V278-V291 HydrophobicContact CG2-CG1 4.25Å; V278-S292 WeakPolarHBondContact CA-O 3.43Å; V278-I293 HydrophobicContact CG2-CG2 4.01Å
279	T	96.5	Very high	97.6	Very high	77 Å²	77	55.4 Å²	55.4	47%	0.472	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-22.8	177.9	56.6	0	0	0	0	112.6	S292 E294	T279-S292 PolarHBondContact N-O 3.18Å; T279-S292 WeakPolarHBondContact OG1-CB 3.42Å; T279-S292 PolarHBondContact OG1-O 3.47Å; T279-E294 HydrophobicContact CG2-CG 3.78Å
280	G	97.5	Very high	97.6	Very high	20 Å²	20	55.9 Å²	55.9	21%	0.206	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	170.5	175.1	0	0	0	0	0	112.2	S292	G280-S292 PolarHBondContact O-N 2.85Å
281	A	98.2	Very high	97.6	Very high	17 Å²	17	55.8 Å²	55.8	14%	0.14	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.7	173.5	0	0	0	0	0	110	I193 I289 D290 V291 L309	I193-A281 HydrophobicContact CD1-CB 3.74Å; I193-A281 HydrophobicContact CG1-CB 3.98Å; I193-A281 HydrophobicContact CG2-CB 4.34Å; A281-I289 HydrophobicContact CB-CG2 4.04Å; A281-D290 WeakPolarHBondContact CA-O 3.5Å; A281-V291 HydrophobicContact CB-CG2 4.36Å; A281-L309 HydrophobicContact CB-CD2 3.55Å
282	T	97.9	Very high	97.6	Very high	94 Å²	94	53 Å²	53	58%	0.577	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.3	-179.8	-57	0	0	0	0	110	I289 D290	T282-I289 WeakPolarHBondContact O-CA 3.32Å; T282-D290 PolarHBondContact N-O 3.39Å; T282-D290 PolarHBondContact O-N 3.41Å
283	K	97.5	Very high	97.6	Very high	89 Å²	89	52 Å²	52	39%	0.387	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.1	169.6	-69.3	176.3	-172.4	164.4	0	109.3	D196 T199 I200 I289	D196-K283 IonicContact OD1-NZ 2.71Å; D196-K283 WeakPolarHBondContact OD2-CE 3.49Å; D196-K283 IonicContact OD2-NZ 3.15Å; D196-K283 PolarHBondContact OD2-NZ 3.02Å; T199-K283 VanDerWaalsContact OG1-CE 3.3Å; T199-K283 WeakPolarHBondContact OG1-CE 3.48Å; I200-K283 HydrophobicContact CD1-CD 4.41Å; I200-K283 HydrophobicContact CD1-CG 4.12Å; I200-K283 VanDerWaalsContact CG1-CE 3.44Å; K283-I289 HydrophobicContact CG-CG1 4.11Å
284	K	97.1	Very high	97.5	Very high	67 Å²	67	51.4 Å²	51.4	29%	0.291	30%	0.298	S	S	.	.			trans	-90.3	163.8	177.2	-68.4	-167.2	-62	-159.8	0	111.3	D286 G287 K288 D290	K284-D286 WeakPolarHBondContact CB-OD1 3.49Å; K284-D286 WeakPolarHBondContact CE-OD1 3.35Å; K284-D286 IonicContact NZ-OD2 2.68Å; K284-D286 PolarHBondContact O-N 3.24Å; K284-G287 PolarHBondContact O-N 2.75Å; K284-G287 VanDerWaalsContact O-N 3.16Å; K284-K288 WeakPolarHBondContact CB-O 3.32Å; K284-K288 PolarHBondContact N-O 3.03Å; K284-D290 WeakPolarHBondContact CD-OD2 2.81Å; K284-D290 VanDerWaalsContact CE-OD1 3.28Å; K284-D290 WeakPolarHBondContact CE-OD1 3.48Å; K284-D290 IonicContact NZ-OD1 3.04Å; K284-D290 PolarHBondContact NZ-OD1 2.62Å; K284-D290 IonicContact NZ-OD2 2.83Å
285	S	96.1	Very high	97.4	Very high	138 Å²	138	51.9 Å²	51.9	97%	0.965	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-19.9	176.8	54.7	0	0	0	0	114.1	G287	S285-G287 VanDerWaalsContact C-N 3.27Å
286	D	96.1	Very high	97.2	Very high	98 Å²	98	48.6 Å²	48.6	52%	0.524	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	1.1	176.2	67.5	-6	0	0	0	113.3	K284 K288	K284-D286 WeakPolarHBondContact CB-OD1 3.49Å; K284-D286 WeakPolarHBondContact CE-OD1 3.35Å; K284-D286 IonicContact NZ-OD2 2.68Å; K284-D286 PolarHBondContact O-N 3.24Å; D286-K288 VanDerWaalsContact C-N 3.33Å; D286-K288 WeakPolarHBondContact OD1-CB 3.48Å; D286-K288 PolarHBondContact OD1-N 2.91Å
287	G	95.2	Very high	97	Very high	45 Å²	45	53.3 Å²	53.3	46%	0.464	33%	0.326	S	S	.	.	S	Bend	trans	85.5	-4.6	-177.2	0	0	0	0	0	114.7	K284 S285	K284-G287 PolarHBondContact O-N 2.75Å; K284-G287 VanDerWaalsContact O-N 3.16Å; S285-G287 VanDerWaalsContact C-N 3.27Å
288	K	98	Very high	96.5	Very high	71 Å²	71	51.5 Å²	51.5	31%	0.309	33%	0.328	S	S	.	.			trans	-83.5	166.7	174.4	-61.2	-166	174.3	-161.2	0	111.5	K284 D286 T305 D307	K284-K288 WeakPolarHBondContact CB-O 3.32Å; K284-K288 PolarHBondContact N-O 3.03Å; D286-K288 VanDerWaalsContact C-N 3.33Å; D286-K288 WeakPolarHBondContact OD1-CB 3.48Å; D286-K288 PolarHBondContact OD1-N 2.91Å; K288-T305 HydrophobicContact CB-CG2 3.78Å; K288-T305 HydrophobicContact CD-CG2 3.83Å; K288-T305 HydrophobicContact CG-CG2 4.41Å; K288-D307 WeakPolarHBondContact CE-OD1 3.49Å; K288-D307 IonicContact NZ-OD1 3.53Å
289	I	98.7	Very high	95.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.4	179.3	-59.1	154.1	0	0	0	108.7	T199 I200 A281 T282 K283 V291 T305 C306 L309	T199-I289 VanDerWaalsContact O-CD1 3.22Å; T199-I289 WeakPolarHBondContact O-CD1 3.48Å; I200-I289 HydrophobicContact CD1-CD1 4.5Å; I200-I289 HydrophobicContact CG1-CD1 3.62Å; I200-I289 HydrophobicContact CG1-CG1 4.25Å; A281-I289 HydrophobicContact CB-CG2 4.04Å; T282-I289 WeakPolarHBondContact O-CA 3.32Å; K283-I289 HydrophobicContact CG-CG1 4.11Å; I289-V291 HydrophobicContact CG2-CG2 4.05Å; I289-T305 CarbonylContact O-C 3.54Å; I289-T305 VanDerWaalsContact O-CA 3.25Å; I289-T305 WeakPolarHBondContact O-CA 3.18Å; I289-C306 PolarHBondContact N-O 2.05Å; I289-C306 PolarHBondContact O-N 2.74Å; I289-L309 HydrophobicContact CD1-CB 3.83Å; I289-L309 HydrophobicContact CG2-CB 4.45Å; I289-L309 HydrophobicContact CG2-CD2 4.15Å
290	D	98.5	Very high	95.3	Very high	43 Å²	43	59.1 Å²	59.1	23%	0.23	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	115	170.4	-79.7	4.1	0	0	0	109.1	A281 T282 K284 V303 T305	A281-D290 WeakPolarHBondContact CA-O 3.5Å; T282-D290 PolarHBondContact N-O 3.39Å; T282-D290 PolarHBondContact O-N 3.41Å; K284-D290 WeakPolarHBondContact CD-OD2 2.81Å; K284-D290 VanDerWaalsContact CE-OD1 3.28Å; K284-D290 WeakPolarHBondContact CE-OD1 3.48Å; K284-D290 IonicContact NZ-OD1 3.04Å; K284-D290 PolarHBondContact NZ-OD1 2.62Å; K284-D290 IonicContact NZ-OD2 2.83Å; D290-V303 HydrophobicContact CB-CG1 3.65Å; D290-T305 WeakPolarHBondContact OD1-CB 3.44Å; D290-T305 VanDerWaalsContact OD1-CG2 3.3Å; D290-T305 WeakPolarHBondContact OD1-CG2 3.4Å; D290-T305 PolarHBondContact OD1-OG1 3.19Å
291	V	98.6	Very high	95.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.1	178.8	-171.8	0	0	0	0	108.9	V217 V278 A281 I289 I293 V303 I304 L309	V217-V291 HydrophobicContact CG1-CG2 4.36Å; V278-V291 HydrophobicContact CG1-CG1 3.8Å; V278-V291 HydrophobicContact CG2-CG1 4.25Å; A281-V291 HydrophobicContact CB-CG2 4.36Å; I289-V291 HydrophobicContact CG2-CG2 4.05Å; V291-I293 HydrophobicContact CG1-CG2 4.15Å; V291-V303 WeakPolarHBondContact O-CA 3.46Å; V291-I304 PolarHBondContact N-O 2.89Å; V291-I304 PolarHBondContact O-N 3.39Å; V291-L309 HydrophobicContact CG2-CD1 3.82Å; V291-L309 HydrophobicContact CG2-CD2 4.04Å; V291-L309 HydrophobicContact CG2-CG 4.47Å
292	S	98.2	Very high	95	Very high	40 Å²	40	65.1 Å²	65.1	28%	0.28	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.1	176.4	-61.7	0	0	0	0	110	V278 T279 G280	V278-S292 WeakPolarHBondContact CA-O 3.43Å; T279-S292 PolarHBondContact N-O 3.18Å; T279-S292 WeakPolarHBondContact OG1-CB 3.42Å; T279-S292 PolarHBondContact OG1-O 3.47Å; G280-S292 PolarHBondContact O-N 2.85Å
293	I	98.1	Very high	95	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.021	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156	-178.2	59.5	158.8	0	0	0	111.7	V242 K273 T276 K277 V278 V291 A301 E302 I304	V242-I293 HydrophobicContact CG1-CG2 4.1Å; V242-I293 HydrophobicContact CG2-CG2 4.42Å; K273-I293 HydrophobicContact CD-CD1 3.42Å; K273-I293 VanDerWaalsContact CD-CD1 3.42Å; T276-I293 HydrophobicContact CG2-CB 3.81Å; T276-I293 HydrophobicContact CG2-CD1 3.83Å; T276-I293 HydrophobicContact CG2-CG1 4.36Å; T276-I293 HydrophobicContact CG2-CG2 4.33Å; K277-I293 CarbonylContact O-C 3.31Å; K277-I293 VanDerWaalsContact O-CA 3.24Å; K277-I293 WeakPolarHBondContact O-CA 3.48Å; V278-I293 HydrophobicContact CG2-CG2 4.01Å; V291-I293 HydrophobicContact CG1-CG2 4.15Å; I293-A301 WeakPolarHBondContact O-CA 3.38Å; I293-E302 HydrophobicContact CD1-CB 4.25Å; I293-E302 HydrophobicContact CD1-CG 4.45Å; I293-E302 HydrophobicContact CG1-CB 3.95Å; I293-E302 HydrophobicContact CG1-CG 4.48Å; I293-E302 WeakPolarHBondContact CG1-O 3.45Å; I293-E302 PolarHBondContact N-O 3.01Å; I293-E302 PolarHBondContact O-N 2.88Å; I293-I304 HydrophobicContact CD1-CD1 3.67Å; I293-I304 HydrophobicContact CD1-CG1 4.02Å; I293-I304 HydrophobicContact CG1-CD1 4.42Å; I293-I304 HydrophobicContact CG1-CG1 4.4Å
294	E	96.6	Very high	95.1	Very high	47 Å²	47	60.6 Å²	60.6	22%	0.22	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	163	171.2	63.7	-178.3	-161.9	0	0	110.6	T276 K277 T279 A296	T276-E294 CarbonylContact C-O 3.54Å; T276-E294 WeakPolarHBondContact CA-O 3.37Å; T276-E294 WeakPolarHBondContact CG2-O 3.39Å; K277-E294 HydrophobicContact CB-CG 4.33Å; K277-E294 WeakPolarHBondContact CE-OE1 3.34Å; K277-E294 PolarHBondContact N-O 3.17Å; K277-E294 IonicContact NZ-OE1 2.56Å; K277-E294 PolarHBondContact NZ-OE1 2.58Å; K277-E294 PolarHBondContact O-N 3.38Å; T279-E294 HydrophobicContact CG2-CG 3.78Å; E294-A296 PolarHBondContact O-N 3.27Å
295	A	96.2	Very high	95.1	Very high	38 Å²	38	59.4 Å²	59.4	31%	0.314	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140.2	170.5	0	0	0	0	0	110.4	S297 G298	A295-S297 PolarHBondContact O-N 2.85Å; A295-G298 WeakPolarHBondContact O-CA 3.34Å; A295-G298 PolarHBondContact O-N 3.13Å
296	A	94.5	Very high	95.3	Very high	25 Å²	25	52.9 Å²	52.9	21%	0.207	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-31.4	-176.9	0	0	0	0	0	112.8	F244 N275 E294 G298	F244-A296 HydrophobicContact CD2-CB 3.82Å; F244-A296 HydrophobicContact CE2-CB 3.62Å; F244-A296 HydrophobicContact CZ-CB 4.17Å; N275-A296 VanDerWaalsContact C-CB 3.47Å; N275-A296 WeakPolarHBondContact O-CB 3.29Å; N275-A296 PolarHBondContact O-N 2.96Å; E294-A296 PolarHBondContact O-N 3.27Å; A296-G298 PolarHBondContact O-N 2.84Å
297	S	93.9	Very high	95.4	Very high	119 Å²	119	50 Å²	50	83%	0.832	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	1.9	173.6	57.6	0	0	0	0	114.5	A295	A295-S297 PolarHBondContact O-N 2.85Å
298	G	86.2	Confident	95.6	Very high	38 Å²	38	48.5 Å²	48.5	39%	0.392	30%	0.299	S	S	.	.	S	Bend	trans	85.9	146.1	-164.6	0	0	0	0	0	111.6	A295 A296	A295-G298 WeakPolarHBondContact O-CA 3.34Å; A295-G298 PolarHBondContact O-N 3.13Å; A296-G298 PolarHBondContact O-N 2.84Å
299	G	85.4	Confident	95.6	Very high	50 Å²	50	45.1 Å²	45.1	52%	0.515	28%	0.284	S	S	.	.			trans	164.6	-165.2	-179.5	0	0	0	0	0	113.9	A301	G299-A301 PolarHBondContact O-N 3.1Å
300	K	82.8	Confident	95.6	Very high	198 Å²	198	45.1 Å²	45.1	86%	0.861	28%	0.284	S	S	*	.			trans	-62.2	123.1	-179.1	-173.8	-179.7	178.4	-176.5	0	110.2
301	A	93.5	Very high	95.6	Very high	72 Å²	72	43.1 Å²	43.1	60%	0.595	27%	0.273	S	S	*	.			trans	-67.2	139.6	171.8	0	0	0	0	0	111	I293 G299	I293-A301 WeakPolarHBondContact O-CA 3.38Å; G299-A301 PolarHBondContact O-N 3.1Å
302	E	96.7	Very high	95.5	Very high	91 Å²	91	44 Å²	44	43%	0.425	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.7	173.1	178.8	-173	165.7	0	0	108.6	K273 I293	K273-E302 IonicContact NZ-OE1 2.78Å; K273-E302 PolarHBondContact NZ-OE1 3.37Å; K273-E302 IonicContact NZ-OE2 2.88Å; K273-E302 PolarHBondContact NZ-OE2 3.27Å; I293-E302 HydrophobicContact CD1-CB 4.25Å; I293-E302 HydrophobicContact CD1-CG 4.45Å; I293-E302 HydrophobicContact CG1-CB 3.95Å; I293-E302 HydrophobicContact CG1-CG 4.48Å; I293-E302 WeakPolarHBondContact CG1-O 3.45Å; I293-E302 PolarHBondContact N-O 3.01Å; I293-E302 PolarHBondContact O-N 2.88Å
303	V	98	Very high	95.5	Very high	78 Å²	78	45.3 Å²	45.3	47%	0.473	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.2	173.9	178.6	0	0	0	0	109.1	D290 V291	D290-V303 HydrophobicContact CB-CG1 3.65Å; V291-V303 WeakPolarHBondContact O-CA 3.46Å
304	I	97.9	Very high	95.4	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.051	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.6	172.4	-51.7	176.2	0	0	0	108.5	V217 T240 V242 K273 V291 I293	V217-I304 HydrophobicContact CG2-CB 4.39Å; V217-I304 HydrophobicContact CG2-CG2 3.68Å; T240-I304 HydrophobicContact CG2-CD1 4.47Å; V242-I304 HydrophobicContact CG2-CD1 4.35Å; K273-I304 HydrophobicContact CD-CD1 3.78Å; V291-I304 PolarHBondContact N-O 2.89Å; V291-I304 PolarHBondContact O-N 3.39Å; I293-I304 HydrophobicContact CD1-CD1 3.67Å; I293-I304 HydrophobicContact CD1-CG1 4.02Å; I293-I304 HydrophobicContact CG1-CD1 4.42Å; I293-I304 HydrophobicContact CG1-CG1 4.4Å
305	T	98.6	Very high	95.5	Very high	43 Å²	43	47.1 Å²	47.1	26%	0.264	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.3	170.8	-51.9	0	0	0	0	111	K215 K288 I289 D290	K215-T305 VanDerWaalsContact CD-O 3.25Å; K215-T305 WeakPolarHBondContact CD-O 3.46Å; K215-T305 VanDerWaalsContact CE-O 3.27Å; K215-T305 WeakPolarHBondContact CE-O 3.32Å; K215-T305 PolarHBondContact NZ-O 2.82Å; K288-T305 HydrophobicContact CB-CG2 3.78Å; K288-T305 HydrophobicContact CD-CG2 3.83Å; K288-T305 HydrophobicContact CG-CG2 4.41Å; I289-T305 CarbonylContact O-C 3.54Å; I289-T305 VanDerWaalsContact O-CA 3.25Å; I289-T305 WeakPolarHBondContact O-CA 3.18Å; D290-T305 WeakPolarHBondContact OD1-CB 3.44Å; D290-T305 VanDerWaalsContact OD1-CG2 3.3Å; D290-T305 WeakPolarHBondContact OD1-CG2 3.4Å; D290-T305 PolarHBondContact OD1-OG1 3.19Å
306	C	98.8	Very high	95.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	168.8	174.2	62	0	0	0	0	112.3	K215 V217 I289 V308	K215-C306 HydrophobicContact CB-CB 4.47Å; K215-C306 HydrophobicContact CG-CB 4.22Å; V217-C306 HydrophobicContact CB-CB 4.27Å; V217-C306 HydrophobicContact CG2-CB 3.77Å; I289-C306 PolarHBondContact N-O 2.05Å; I289-C306 PolarHBondContact O-N 2.74Å; C306-V308 PolarHBondContact SG-O 3.34Å
307	D	98.7	Very high	95.8	Very high	36 Å²	36	49.9 Å²	49.9	19%	0.193	30%	0.297	C	S	.	.	S	Bend	trans	-91.1	-34.3	175.8	-47.7	-72.6	0	0	0	111.8	P213 E214 K215 K288	P213-D307 HydrophobicContact CB-CB 4.43Å; E214-D307 WeakPolarHBondContact CB-OD2 3.46Å; E214-D307 PolarHBondContact N-OD2 3.28Å; K215-D307 PolarHBondContact N-OD2 2.98Å; K215-D307 PolarHBondContact O-N 3.48Å; K288-D307 WeakPolarHBondContact CE-OD1 3.49Å; K288-D307 IonicContact NZ-OD1 3.53Å
308	V	98.8	Very high	96.1	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.1	177	174.9	0	0	0	0	110.1	T199 V201 L209 P213 K215 M216 V217 C306	T199-V308 WeakPolarHBondContact O-CA 3.41Å; V201-V308 HydrophobicContact CG2-CG1 3.83Å; L209-V308 HydrophobicContact CD1-CG1 4.24Å; L209-V308 HydrophobicContact CD1-CG2 4.43Å; L209-V308 HydrophobicContact CD2-CG1 4.37Å; P213-V308 HydrophobicContact CB-CB 4.07Å; P213-V308 HydrophobicContact CB-CG2 3.79Å; P213-V308 HydrophobicContact CG-CB 4.37Å; P213-V308 HydrophobicContact CG-CG2 4.34Å; K215-V308 PolarHBondContact O-N 2.95Å; M216-V308 WeakPolarHBondContact CA-O 3.45Å; M216-V308 HydrophobicContact CE-CG1 4.46Å; M216-V308 HydrophobicContact CG-CB 4.46Å; M216-V308 HydrophobicContact CG-CG1 4.47Å; V217-V308 PolarHBondContact N-O 2.84Å; C306-V308 PolarHBondContact SG-O 3.34Å
309	L	98.9	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	115.5	173.5	179.7	61.9	0	0	0	109.6	I193 T199 I200 V201 V217 I219 A281 I289 V291	I193-L309 HydrophobicContact CG2-CD2 4.33Å; T199-L309 PolarHBondContact O-N 3.39Å; I200-L309 CarbonylContact C-O 3.56Å; I200-L309 WeakPolarHBondContact CA-O 3.08Å; I200-L309 HydrophobicContact CD1-CD2 4.32Å; I200-L309 HydrophobicContact CG1-CB 4.22Å; I200-L309 HydrophobicContact CG1-CD2 4.32Å; I200-L309 HydrophobicContact CG2-CD2 4.28Å; V201-L309 PolarHBondContact N-O 3.01Å; V217-L309 HydrophobicContact CB-CD1 3.84Å; V217-L309 HydrophobicContact CG1-CD1 3.68Å; V217-L309 WeakPolarHBondContact O-CA 3.39Å; I219-L309 HydrophobicContact CD1-CD1 3.95Å; I219-L309 HydrophobicContact CD1-CD2 4.21Å; I219-L309 HydrophobicContact CD1-CG 4.31Å; I219-L309 HydrophobicContact CG1-CD1 3.73Å; I219-L309 HydrophobicContact CG1-CG 4.49Å; A281-L309 HydrophobicContact CB-CD2 3.55Å; I289-L309 HydrophobicContact CD1-CB 3.83Å; I289-L309 HydrophobicContact CG2-CB 4.45Å; I289-L309 HydrophobicContact CG2-CD2 4.15Å; V291-L309 HydrophobicContact CG2-CD1 3.82Å; V291-L309 HydrophobicContact CG2-CD2 4.04Å; V291-L309 HydrophobicContact CG2-CG 4.47Å
310	L	98.8	Very high	97.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.1	172.1	168.1	59.5	0	0	0	110.2	V201 S202 A206 M216 V217 V218 I219 L228 C312	V201-L310 HydrophobicContact CG2-CB 4.28Å; V201-L310 HydrophobicContact CG2-CD1 4.32Å; V201-L310 WeakPolarHBondContact O-CA 3.41Å; S202-L310 VanDerWaalsContact C-CD1 3.41Å; S202-L310 WeakPolarHBondContact O-CD1 3.32Å; A206-L310 HydrophobicContact CB-CD1 3.9Å; A206-L310 HydrophobicContact CB-CD2 4.33Å; M216-L310 HydrophobicContact CE-CB 3.43Å; M216-L310 VanDerWaalsContact CE-CB 3.43Å; M216-L310 HydrophobicContact CE-CD2 3.77Å; M216-L310 HydrophobicContact CE-CG 4.23Å; V217-L310 PolarHBondContact O-N 3.32Å; V218-L310 HydrophobicContact CG1-CB 4.48Å; V218-L310 HydrophobicContact CG1-CD2 3.96Å; V218-L310 HydrophobicContact CG1-CG 4.19Å; V218-L310 HydrophobicContact CG2-CB 4.32Å; V218-L310 HydrophobicContact CG2-CD2 4.22Å; I219-L310 PolarHBondContact N-O 3.33Å; L228-L310 HydrophobicContact CB-CD2 3.78Å; L228-L310 HydrophobicContact CD1-CD1 4.48Å; L228-L310 HydrophobicContact CD1-CD2 3.98Å; L310-C312 HydrophobicContact CD1-CB 4.41Å; L310-C312 HydrophobicContact CG-CB 4.33Å
311	V	98.7	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.7	173.7	-175.7	0	0	0	0	109.5	F190 I193 I195 I200 V201 I219 I313	F190-V311 HydrophobicContact CB-CG1 3.81Å; I193-V311 HydrophobicContact CG2-CG2 4.24Å; I195-V311 HydrophobicContact CD1-CB 4.01Å; I195-V311 HydrophobicContact CD1-CG1 4.28Å; I195-V311 HydrophobicContact CD1-CG2 4.47Å; I195-V311 HydrophobicContact CG1-CB 4.26Å; I195-V311 HydrophobicContact CG1-CG2 4.17Å; I200-V311 HydrophobicContact CG2-CG2 3.96Å; V201-V311 PolarHBondContact O-N 3.22Å; I219-V311 HydrophobicContact CD1-CG2 4.33Å; V311-I313 HydrophobicContact CG1-CG1 4.49Å
312	C	96.8	Very high	98.2	Very high	18 Å²	18	42.2 Å²	42.2	12%	0.122	22%	0.218	C	C	.	.			trans	-137.3	45	-179	58.2	0	0	0	0	113.2	V218 I219 G220 I224 G225 L310 G314	V218-C312 WeakPolarHBondContact CG1-SG 3.36Å; I219-C312 CarbonylContact O-C 3.53Å; I219-C312 VanDerWaalsContact O-C 3.26Å; I219-C312 WeakPolarHBondContact O-CA 3.36Å; I219-C312 PolarHBondContact O-N 3.46Å; I219-C312 PolarHBondContact O-SG 2.84Å; G220-C312 PolarHBondContact O-SG 2.94Å; I224-C312 HydrophobicContact CG2-CB 4.36Å; G225-C312 WeakPolarHBondContact CA-SG 3.27Å; L310-C312 HydrophobicContact CD1-CB 4.41Å; L310-C312 HydrophobicContact CG-CB 4.33Å; C312-G314 PolarHBondContact O-N 3.13Å
313	I	97.3	Very high	98.3	Very high	69 Å²	69	38 Å²	38	35%	0.354	20%	0.199	S	C	.	.	S	Bend	trans	-69.9	-6.4	-180	59.4	167.6	0	0	0	115	T188 F190 I219 V311	T188-I313 HydrophobicContact CG2-CD1 3.96Å; T188-I313 HydrophobicContact CG2-CG1 4.32Å; F190-I313 HydrophobicContact CB-CD1 4.06Å; F190-I313 HydrophobicContact CD2-CD1 4.01Å; F190-I313 HydrophobicContact CD2-CG2 3.82Å; F190-I313 HydrophobicContact CE2-CG2 4.36Å; F190-I313 HydrophobicContact CG-CD1 4.43Å; I219-I313 HydrophobicContact CB-CG2 4.37Å; I219-I313 HydrophobicContact CG2-CG2 3.64Å; I219-I313 PolarHBondContact O-N 2.92Å; V311-I313 HydrophobicContact CG1-CG1 4.49Å
314	G	97	Very high	98.3	Very high	33 Å²	33	34.9 Å²	34.9	34%	0.34	18%	0.179	S	C	.	.			trans	142.9	-177.4	177.8	0	0	0	0	0	113.1	T188 C312	T188-G314 WeakPolarHBondContact CB-O 3.39Å; T188-G314 PolarHBondContact N-O 3.31Å; T188-G314 VanDerWaalsContact OG1-C 3.32Å; T188-G314 PolarHBondContact OG1-O 2.96Å; C312-G314 PolarHBondContact O-N 3.13Å
315	R	98.5	Very high	98.2	Very high	55 Å²	55	42.9 Å²	42.9	21%	0.208	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.2	177.2	-60.4	-174.8	63.5	77.1	5.9	109.4	S185 E186 T188 I224 M361	S185-R315 VanDerWaalsContact C-NH2 3.29Å; S185-R315 PolarHBondContact O-NH2 3.22Å; S185-R315 VanDerWaalsContact OG-CZ 3.32Å; S185-R315 PolarHBondContact OG-NE 3.47Å; S185-R315 PolarHBondContact OG-NH2 2.88Å; E186-R315 CarbonylContact O-C 3.35Å; E186-R315 VanDerWaalsContact O-CA 3.29Å; E186-R315 WeakPolarHBondContact O-CA 3.31Å; T188-R315 VanDerWaalsContact OG1-C 3.3Å; T188-R315 WeakPolarHBondContact OG1-CA 3.49Å; T188-R315 PolarHBondContact OG1-N 3.37Å; I224-R315 HydrophobicContact CD1-CG 4.5Å; R315-M361 HydrophobicContact CB-CE 3.73Å; R315-M361 HydrophobicContact CB-SD 4.37Å
316	R	98.5	Very high	98.1	Very high	103 Å²	103	47 Å²	47	39%	0.389	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.4	179.3	65.7	-177.4	-175.4	-172.5	0.1	111.3	S185 E186 P189	S185-R316 CarbonylContact C-O 3.51Å; S185-R316 WeakPolarHBondContact CA-O 3.2Å; S185-R316 WeakPolarHBondContact CB-O 3.1Å; E186-R316 HydrophobicContact CG-CG 3.78Å; E186-R316 PolarHBondContact N-O 2.88Å; E186-R316 PolarHBondContact O-N 3.34Å; E186-R316 IonicContact OE1-CZ 2.74Å; E186-R316 IonicContact OE1-NE 2.74Å; E186-R316 PolarHBondContact OE1-NE 3.32Å; E186-R316 IonicContact OE1-NH2 2.73Å; E186-R316 PolarHBondContact OE1-NH2 3.31Å; P189-R316 VanDerWaalsContact CD-CZ 3.46Å
317	P	98.8	Very high	98	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	144.2	175.6	-27.6	36.3	0	0	0	112.8	G335 R336 V356	P317-G335 VanDerWaalsContact CB-O 3.3Å; P317-G335 WeakPolarHBondContact CB-O 3.44Å; P317-R336 HydrophobicContact CG-CB 4.2Å; P317-R336 HydrophobicContact CG-CG 3.39Å; P317-V356 HydrophobicContact CB-CG2 4.15Å
318	F	98.8	Very high	97.9	Very high	34 Å²	34	48.6 Å²	48.6	15%	0.149	25%	0.248	C	C	.	.			trans	-110.1	108.1	175.8	-176.3	-98.9	0	0	0	111	Y153 T183 G184 E186 K320	Y153-F318 WeakPolarHBondContact OH-CZ 3.42Å; T183-F318 VanDerWaalsContact CB-O 3.24Å; T183-F318 WeakPolarHBondContact CB-O 3.46Å; T183-F318 PolarHBondContact OG1-O 3.22Å; G184-F318 PolarHBondContact O-N 3.03Å; E186-F318 HydrophobicContact CB-CD2 4.39Å; E186-F318 HydrophobicContact CG-CD2 4.21Å; E186-F318 WeakPolarHBondContact OE2-CD2 2.98Å; F318-K320 HydrophobicContact CE2-CB 3.9Å; F318-K320 HydrophobicContact CZ-CB 4.01Å
319	T	98.6	Very high	97.9	Very high	28 Å²	28	48.2 Å²	48.2	17%	0.172	25%	0.246	C	C	.	.			trans	-130.9	7.8	-178.7	54.5	0	0	0	0	113.2	N321 L322 L324 L331 I337 V356	T319-N321 PolarHBondContact O-N 2.93Å; T319-L322 WeakPolarHBondContact O-CB 3.5Å; T319-L322 PolarHBondContact O-N 2.91Å; T319-L324 HydrophobicContact CG2-CD1 3.97Å; T319-L331 HydrophobicContact CG2-CD2 4.19Å; T319-L331 WeakPolarHBondContact OG1-CD1 3.41Å; T319-I337 HydrophobicContact CG2-CD1 4.01Å; T319-I337 HydrophobicContact CG2-CG1 3.99Å; T319-V356 HydrophobicContact CG2-CG2 3.43Å; T319-V356 VanDerWaalsContact CG2-CG2 3.43Å
320	K	98.2	Very high	97.8	Very high	139 Å²	139	55.2 Å²	55.2	60%	0.604	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	138.2	-177.7	-172.6	172.8	-177.8	176.9	0	110.2	Y153 F318 L322	Y153-K320 PolarHBondContact OH-O 3.36Å; F318-K320 HydrophobicContact CE2-CB 3.9Å; F318-K320 HydrophobicContact CZ-CB 4.01Å; K320-L322 PolarHBondContact O-N 2.83Å
321	N	97.9	Very high	97.8	Very high	111 Å²	111	58.7 Å²	58.7	59%	0.594	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	22.1	174.3	-61.9	-16.7	0	0	0	116.1	Y153 T319	Y153-N321 HydrophobicContact CE1-CB 3.89Å; T319-N321 PolarHBondContact O-N 2.93Å
322	L	98.6	Very high	97.8	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.021	31%	0.306	C	S	.	.	S	Bend	trans	-82.5	-12.2	-176.5	-174	61	0	0	0	113.6	I47 I156 I181 T183 T319 K320 L324	I47-L322 HydrophobicContact CD1-CD1 3.93Å; I47-L322 HydrophobicContact CG2-CD1 4.03Å; I156-L322 HydrophobicContact CD1-CG 4.42Å; I156-L322 HydrophobicContact CG1-CD1 4.43Å; I156-L322 PolarHBondContact N-O 3.37Å; I181-L322 HydrophobicContact CD1-CD2 4.1Å; I181-L322 HydrophobicContact CG1-CD2 4.22Å; I181-L322 HydrophobicContact CG2-CD2 3.57Å; T183-L322 HydrophobicContact CG2-CD1 4.13Å; T183-L322 HydrophobicContact CG2-CD2 4.1Å; T319-L322 WeakPolarHBondContact O-CB 3.5Å; T319-L322 PolarHBondContact O-N 2.91Å; K320-L322 PolarHBondContact O-N 2.83Å; L322-L324 HydrophobicContact CB-CG 4.19Å; L322-L324 HydrophobicContact CD2-CD1 4.21Å; L322-L324 HydrophobicContact CD2-CD2 3.98Å; L322-L324 HydrophobicContact CD2-CG 4.11Å; L322-L324 HydrophobicContact CG-CD2 4.18Å; L322-L324 HydrophobicContact CG-CG 4.27Å
323	G	98.1	Very high	97.8	Very high	2 Å²	2	66.3 Å²	66.3	2%	0.021	34%	0.344	C	S	.	.	S	Bend	trans	92.3	12.8	-178.4	0	0	0	0	0	114.8	E326 L327	G323-E326 WeakPolarHBondContact CA-OE2 3.49Å; G323-L327 WeakPolarHBondContact O-CG 3.35Å; G323-L327 PolarHBondContact O-N 2.47Å
324	L	98	Very high	97.8	Very high	12 Å²	12	71.1 Å²	71.1	6%	0.063	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-39.4	-173.7	-59.8	-174.5	0	0	0	112.9	I156 I181 T319 L322 L327 G328 I329 L331 I337	I156-L324 HydrophobicContact CD1-CD2 4.33Å; I181-L324 HydrophobicContact CD1-CD2 3.88Å; T319-L324 HydrophobicContact CG2-CD1 3.97Å; L322-L324 HydrophobicContact CB-CG 4.19Å; L322-L324 HydrophobicContact CD2-CD1 4.21Å; L322-L324 HydrophobicContact CD2-CD2 3.98Å; L322-L324 HydrophobicContact CD2-CG 4.11Å; L322-L324 HydrophobicContact CG-CD2 4.18Å; L322-L324 HydrophobicContact CG-CG 4.27Å; L324-L327 CarbonylContact O-C 3.46Å; L324-L327 PolarHBondContact O-N 2.89Å; L324-G328 PolarHBondContact O-N 2.97Å; L324-G328 VanDerWaalsContact O-N 3.1Å; L324-I329 HydrophobicContact CB-CB 4.22Å; L324-I329 HydrophobicContact CD2-CB 4.37Å; L324-I329 HydrophobicContact CD2-CD1 4.14Å; L324-I329 HydrophobicContact CD2-CG2 4.44Å; L324-I329 PolarHBondContact O-N 2.98Å; L324-L331 HydrophobicContact CD1-CD2 3.84Å; L324-I337 HydrophobicContact CD1-CD1 3.81Å; L324-I337 HydrophobicContact CD1-CG1 3.98Å
325	E	96.3	Very high	97.9	Very high	178 Å²	178	70.7 Å²	70.7	83%	0.832	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-44.4	-179.9	-173.5	178.4	175.1	0	0	110.7	L327 G328	E325-L327 PolarHBondContact O-N 2.91Å; E325-G328 PolarHBondContact O-N 3.15Å
326	E	96	Very high	97.9	Very high	130 Å²	130	70.4 Å²	70.4	61%	0.607	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.5	177.9	-58.7	97.6	139.8	0	0	113.2	K155 G323	K155-E326 WeakPolarHBondContact CE-OE1 3.3Å; K155-E326 IonicContact NZ-OE1 3.46Å; K155-E326 PolarHBondContact NZ-OE1 3.18Å; G323-E326 WeakPolarHBondContact CA-OE2 3.49Å
327	L	96.5	Very high	97.9	Very high	39 Å²	39	65.6 Å²	65.6	20%	0.204	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.5	173.6	-71.1	173.8	0	0	0	113.5	I156 G323 L324 E325 I329 I347 I350	I156-L327 HydrophobicContact CB-CD1 3.95Å; I156-L327 HydrophobicContact CD1-CD1 4.48Å; I156-L327 HydrophobicContact CG2-CD1 3.51Å; G323-L327 WeakPolarHBondContact O-CG 3.35Å; G323-L327 PolarHBondContact O-N 2.47Å; L324-L327 CarbonylContact O-C 3.46Å; L324-L327 PolarHBondContact O-N 2.89Å; E325-L327 PolarHBondContact O-N 2.91Å; L327-I329 VanDerWaalsContact C-N 3.28Å; L327-I329 HydrophobicContact CB-CD1 4.31Å; L327-I329 HydrophobicContact CB-CG1 4.18Å; L327-I329 HydrophobicContact CD1-CD1 4.36Å; L327-I329 PolarHBondContact O-N 3.28Å; L327-I347 HydrophobicContact CB-CD1 3.91Å; L327-I347 HydrophobicContact CD2-CD1 4.13Å; L327-I347 HydrophobicContact CG-CD1 4.42Å; L327-I350 HydrophobicContact CD1-CD1 3.86Å
328	G	97	Very high	97.9	Very high	31 Å²	31	68 Å²	68	32%	0.32	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	21.9	-175.2	0	0	0	0	0	114.2	L324 E325 E330 K346	L324-G328 PolarHBondContact O-N 2.97Å; L324-G328 VanDerWaalsContact O-N 3.1Å; E325-G328 PolarHBondContact O-N 3.15Å; G328-E330 PolarHBondContact O-N 3.46Å; G328-K346 WeakPolarHBondContact O-CD 3.26Å; G328-K346 WeakPolarHBondContact O-CE 3.36Å; G328-K346 PolarHBondContact O-NZ 2.91Å
329	I	98	Very high	97.9	Very high	7 Å²	7	68.7 Å²	68.7	4%	0.036	36%	0.356	C	S	.	.			trans	-81.8	97	172.3	-60	174.6	0	0	0	108	L324 L327 I337 T345 K346 I347 I350	L324-I329 HydrophobicContact CB-CB 4.22Å; L324-I329 HydrophobicContact CD2-CB 4.37Å; L324-I329 HydrophobicContact CD2-CD1 4.14Å; L324-I329 HydrophobicContact CD2-CG2 4.44Å; L324-I329 PolarHBondContact O-N 2.98Å; L327-I329 VanDerWaalsContact C-N 3.28Å; L327-I329 HydrophobicContact CB-CD1 4.31Å; L327-I329 HydrophobicContact CB-CG1 4.18Å; L327-I329 HydrophobicContact CD1-CD1 4.36Å; L327-I329 PolarHBondContact O-N 3.28Å; I329-I337 HydrophobicContact CG2-CG2 4.14Å; I329-T345 HydrophobicContact CD1-CG2 4.38Å; I329-K346 HydrophobicContact CG1-CD 4.4Å; I329-K346 HydrophobicContact CG1-CG 4.23Å; I329-I347 HydrophobicContact CD1-CD1 4.17Å; I329-I347 HydrophobicContact CD1-CG1 4.4Å; I329-I347 HydrophobicContact CG1-CD1 4.19Å; I329-I347 HydrophobicContact CG1-CG1 4.32Å; I329-I350 HydrophobicContact CD1-CD1 4.31Å; I329-I350 HydrophobicContact CD1-CG2 4.23Å
330	E	97.5	Very high	97.9	Very high	148 Å²	148	70.9 Å²	70.9	69%	0.692	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-73.3	145	177.7	-66.5	171.9	-167.1	0	0	111.3	G328 P338	G328-E330 PolarHBondContact O-N 3.46Å; E330-P338 WeakPolarHBondContact O-CD 3.2Å
331	L	98.5	Very high	97.9	Very high	73 Å²	73	70 Å²	70	38%	0.382	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-91.2	153.4	173.7	-57.1	178.9	0	0	0	110.1	T319 L324 R336 I337	T319-L331 HydrophobicContact CG2-CD2 4.19Å; T319-L331 WeakPolarHBondContact OG1-CD1 3.41Å; L324-L331 HydrophobicContact CD1-CD2 3.84Å; L331-R336 WeakPolarHBondContact CA-O 3.31Å; L331-I337 HydrophobicContact CD2-CG1 3.69Å
332	D	98.4	Very high	98	Very high	36 Å²	36	69.3 Å²	69.3	19%	0.193	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-72	171.5	170.2	83.6	4.3	0	0	0	112	R334 G335 R336 P338	D332-R334 PolarHBondContact O-N 2.9Å; D332-R334 WeakPolarHBondContact OD1-CA 3.38Å; D332-R334 WeakPolarHBondContact OD1-CB 3.24Å; D332-R334 PolarHBondContact OD1-N 2.77Å; D332-G335 PolarHBondContact O-N 3.23Å; D332-G335 PolarHBondContact OD1-N 3.44Å; D332-G335 VanDerWaalsContact OD1-N 3.11Å; D332-R336 PolarHBondContact N-O 3.2Å; D332-R336 PolarHBondContact OD1-N 3.48Å; D332-R336 IonicContact OD1-NE 2.63Å; D332-R336 PolarHBondContact OD1-NE 2.77Å; D332-R336 IonicContact OD1-NH2 3.85Å; D332-R336 IonicContact OD2-CZ 2.68Å; D332-R336 IonicContact OD2-NE 2.73Å; D332-R336 PolarHBondContact OD2-NE 3.03Å; D332-R336 IonicContact OD2-NH2 2.83Å; D332-R336 PolarHBondContact OD2-NH2 2.66Å; D332-P338 HydrophobicContact CB-CG 4.41Å
333	P	98.1	Very high	98	Very high	141 Å²	141	69.5 Å²	69.5	92%	0.916	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.9	-177.8	-26.7	36	0	0	0	115.6
334	R	97.5	Very high	98	Very high	171 Å²	171	71.3 Å²	71.3	65%	0.645	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	8.1	176.7	-67.7	176.6	58.7	-172.1	-1	112.2	D332 R336	D332-R334 PolarHBondContact O-N 2.9Å; D332-R334 WeakPolarHBondContact OD1-CA 3.38Å; D332-R334 WeakPolarHBondContact OD1-CB 3.24Å; D332-R334 PolarHBondContact OD1-N 2.77Å; R334-R336 VanDerWaalsContact C-N 3.35Å
335	G	98.4	Very high	98	Very high	23 Å²	23	71.2 Å²	71.2	24%	0.237	37%	0.371	C	S	.	.	S	Bend	trans	79.6	10.8	178.5	0	0	0	0	0	114.6	P317 D332	P317-G335 VanDerWaalsContact CB-O 3.3Å; P317-G335 WeakPolarHBondContact CB-O 3.44Å; D332-G335 PolarHBondContact O-N 3.23Å; D332-G335 PolarHBondContact OD1-N 3.44Å; D332-G335 VanDerWaalsContact OD1-N 3.11Å
336	R	98.8	Very high	98.1	Very high	50 Å²	50	69.3 Å²	69.3	19%	0.189	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-84.1	152.4	180	-60.9	167	-66.8	174.8	7.3	110.4	P317 L331 D332 R334 P338 V356	P317-R336 HydrophobicContact CG-CB 4.2Å; P317-R336 HydrophobicContact CG-CG 3.39Å; L331-R336 WeakPolarHBondContact CA-O 3.31Å; D332-R336 PolarHBondContact N-O 3.2Å; D332-R336 PolarHBondContact OD1-N 3.48Å; D332-R336 IonicContact OD1-NE 2.63Å; D332-R336 PolarHBondContact OD1-NE 2.77Å; D332-R336 IonicContact OD1-NH2 3.85Å; D332-R336 IonicContact OD2-CZ 2.68Å; D332-R336 IonicContact OD2-NE 2.73Å; D332-R336 PolarHBondContact OD2-NE 3.03Å; D332-R336 IonicContact OD2-NH2 2.83Å; D332-R336 PolarHBondContact OD2-NH2 2.66Å; R334-R336 VanDerWaalsContact C-N 3.35Å; R336-P338 WeakPolarHBondContact O-CD 3.36Å; R336-V356 CarbonylContact C-O 3.48Å; R336-V356 VanDerWaalsContact CA-O 3.25Å; R336-V356 WeakPolarHBondContact CA-O 3.39Å; R336-V356 WeakPolarHBondContact CB-O 3.4Å
337	I	98.8	Very high	98.2	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-79.6	119.3	172.4	-60	174.3	0	0	0	108.5	I181 T319 L324 I329 L331 V339 T345 A352 V356 V357	I181-I337 HydrophobicContact CB-CD1 4.35Å; I181-I337 HydrophobicContact CD1-CD1 3.86Å; I181-I337 HydrophobicContact CG2-CD1 3.77Å; T319-I337 HydrophobicContact CG2-CD1 4.01Å; T319-I337 HydrophobicContact CG2-CG1 3.99Å; L324-I337 HydrophobicContact CD1-CD1 3.81Å; L324-I337 HydrophobicContact CD1-CG1 3.98Å; I329-I337 HydrophobicContact CG2-CG2 4.14Å; L331-I337 HydrophobicContact CD2-CG1 3.69Å; I337-V339 HydrophobicContact CG2-CG1 4.3Å; I337-T345 HydrophobicContact CG2-CG2 3.67Å; I337-A352 HydrophobicContact CB-CB 4.05Å; I337-A352 HydrophobicContact CD1-CB 4.01Å; I337-A352 HydrophobicContact CG2-CB 3.88Å; I337-V356 HydrophobicContact CD1-CG1 4.2Å; I337-V356 HydrophobicContact CD1-CG2 3.87Å; I337-V356 HydrophobicContact CG1-CG2 4.12Å; I337-V356 PolarHBondContact N-O 2.86Å; I337-V357 HydrophobicContact CB-CG1 4.41Å
338	P	98.8	Very high	98.3	Very high	68 Å²	68	66.3 Å²	66.3	44%	0.442	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-67.6	132.4	173.5	-16.9	31.5	0	0	0	110.5	E330 D332 R336	E330-P338 WeakPolarHBondContact O-CD 3.2Å; D332-P338 HydrophobicContact CB-CG 4.41Å; R336-P338 WeakPolarHBondContact O-CD 3.36Å
339	V	98.8	Very high	98.4	Very high	50 Å²	50	66.3 Å²	66.3	30%	0.303	35%	0.345	S	S	.	.			trans	-134.1	155.7	178.9	-64.6	0	0	0	0	111.5	I337 F343 Q344 T345 A352 V357	I337-V339 HydrophobicContact CG2-CG1 4.3Å; V339-F343 HydrophobicContact CG2-CD1 4.29Å; V339-Q344 CarbonylContact C-O 3.37Å; V339-Q344 WeakPolarHBondContact CA-O 3.4Å; V339-T345 HydrophobicContact CG1-CG2 4.44Å; V339-A352 HydrophobicContact CG1-CB 3.84Å; V339-V357 HydrophobicContact CG1-CG1 3.94Å; V339-V357 HydrophobicContact CG2-CB 4.26Å; V339-V357 HydrophobicContact CG2-CG1 4.16Å
340	N	98.5	Very high	98.4	Very high	73 Å²	73	66 Å²	66	39%	0.39	34%	0.344	S	S	.	.			trans	-84.2	-173.4	172.1	74.2	10	0	0	0	112	R342 F343 Q344	N340-R342 PolarHBondContact O-N 3.26Å; N340-R342 WeakPolarHBondContact OD1-CA 3.3Å; N340-R342 PolarHBondContact OD1-N 2.87Å; N340-F343 PolarHBondContact O-N 3.27Å; N340-F343 PolarHBondContact OD1-N 2.89Å; N340-Q344 PolarHBondContact N-O 2.72Å; N340-Q344 PolarHBondContact ND2-OE1 2.9Å; N340-Q344 WeakPolarHBondContact OD1-CB 3.24Å; N340-Q344 PolarHBondContact OD1-N 2.83Å
341	T	97.9	Very high	98.5	Very high	122 Å²	122	59.6 Å²	59.6	75%	0.748	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.3	-179.5	55.6	0	0	0	0	114.8	V382	T341-V382 VanDerWaalsContact O-CG1 3.3Å; T341-V382 WeakPolarHBondContact O-CG1 3.3Å
342	R	98.6	Very high	98.5	Very high	96 Å²	96	56.1 Å²	56.1	36%	0.362	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	16.3	173	-70.5	-170.9	171.3	-103.7	-5.4	112.2	N340 Q344 Y351 G376 G380 V382	N340-R342 PolarHBondContact O-N 3.26Å; N340-R342 WeakPolarHBondContact OD1-CA 3.3Å; N340-R342 PolarHBondContact OD1-N 2.87Å; R342-Q344 HydrophobicContact CB-CG 4.31Å; R342-Q344 PolarHBondContact O-N 2.79Å; R342-Y351 WeakPolarHBondContact O-CD1 3.49Å; R342-Y351 WeakPolarHBondContact O-CE1 3.28Å; R342-G376 PolarHBondContact NH1-O 3.48Å; R342-G376 VanDerWaalsContact NH1-O 3.15Å; R342-G380 PolarHBondContact NH1-O 2.85Å; R342-G380 PolarHBondContact NH2-O 2.94Å; R342-V382 HydrophobicContact CG-CB 4.47Å; R342-V382 HydrophobicContact CG-CG2 4.11Å
343	F	98.8	Very high	98.6	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.035	29%	0.286	C	S	.	.	S	Bend	trans	62.7	16.2	-177.8	-57.5	-80.5	0	0	0	114.7	V339 N340 Y351 A352 I353 E369 I372 C373 V382 I384	V339-F343 HydrophobicContact CG2-CD1 4.29Å; N340-F343 PolarHBondContact O-N 3.27Å; N340-F343 PolarHBondContact OD1-N 2.89Å; F343-Y351 CarbonylContact O-C 3.47Å; F343-Y351 WeakPolarHBondContact O-CA 3.28Å; F343-Y351 WeakPolarHBondContact O-CB 3.43Å; F343-A352 PolarHBondContact O-N 2.81Å; F343-I353 HydrophobicContact CB-CG2 4.12Å; F343-I353 HydrophobicContact CD1-CG2 4.1Å; F343-I353 HydrophobicContact CG-CG2 4.09Å; F343-E369 HydrophobicContact CE1-CB 4.11Å; F343-E369 HydrophobicContact CE1-CG 3.62Å; F343-E369 HydrophobicContact CZ-CB 4.19Å; F343-E369 HydrophobicContact CZ-CG 3.7Å; F343-I372 HydrophobicContact CD2-CG1 4.41Å; F343-I372 HydrophobicContact CE2-CD1 3.58Å; F343-I372 HydrophobicContact CE2-CG1 3.65Å; F343-I372 HydrophobicContact CZ-CD1 3.91Å; F343-I372 HydrophobicContact CZ-CG1 4.35Å; F343-C373 HydrophobicContact CB-CB 4.26Å; F343-C373 HydrophobicContact CD2-CB 4.02Å; F343-C373 HydrophobicContact CG-CB 4.34Å; F343-V382 HydrophobicContact CD2-CG1 3.89Å; F343-V382 HydrophobicContact CE2-CG1 3.52Å; F343-I384 HydrophobicContact CZ-CG2 4.11Å
344	Q	98.8	Very high	98.6	Very high	40 Å²	40	48 Å²	48	19%	0.187	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-80.5	139.1	176.9	-62.7	164.6	-24.9	0	0	110.2	V339 N340 R342 P348 Y351	V339-Q344 CarbonylContact C-O 3.37Å; V339-Q344 WeakPolarHBondContact CA-O 3.4Å; N340-Q344 PolarHBondContact N-O 2.72Å; N340-Q344 PolarHBondContact ND2-OE1 2.9Å; N340-Q344 WeakPolarHBondContact OD1-CB 3.24Å; N340-Q344 PolarHBondContact OD1-N 2.83Å; R342-Q344 HydrophobicContact CB-CG 4.31Å; R342-Q344 PolarHBondContact O-N 2.79Å; Q344-P348 PolarHBondContact NE2-O 3.2Å; Q344-Y351 HydrophobicContact CB-CD1 4.35Å; Q344-Y351 HydrophobicContact CB-CE1 4.35Å; Q344-Y351 HydrophobicContact CG-CD1 3.53Å; Q344-Y351 HydrophobicContact CG-CE1 3.13Å; Q344-Y351 HydrophobicContact CG-CE2 4.39Å; Q344-Y351 HydrophobicContact CG-CG 4.32Å; Q344-Y351 PolarHBondContact NE2-OH 3.38Å
345	T	98.7	Very high	98.6	Very high	9 Å²	9	41.2 Å²	41.2	6%	0.055	22%	0.222	C	C	.	.			trans	-71.2	-175.7	165.1	72.6	0	0	0	0	110.4	I329 I337 V339 I347 I350 A352	I329-T345 HydrophobicContact CD1-CG2 4.38Å; I337-T345 HydrophobicContact CG2-CG2 3.67Å; V339-T345 HydrophobicContact CG1-CG2 4.44Å; T345-I347 PolarHBondContact O-N 2.55Å; T345-I347 VanDerWaalsContact O-N 3.12Å; T345-I347 PolarHBondContact OG1-N 3.34Å; T345-I347 VanDerWaalsContact OG1-N 3.12Å; T345-I347 PolarHBondContact OG1-O 2.82Å; T345-I347 VanDerWaalsContact OG1-O 3.12Å; T345-I350 WeakPolarHBondContact CB-O 3.43Å; T345-I350 HydrophobicContact CG2-CG2 4.09Å; T345-I350 WeakPolarHBondContact CG2-O 3.49Å; T345-I350 PolarHBondContact N-O 2.97Å; T345-I350 PolarHBondContact OG1-O 3.14Å; T345-A352 HydrophobicContact CG2-CB 4.49Å
346	K	98.1	Very high	98.7	Very high	138 Å²	138	40.1 Å²	40.1	60%	0.6	21%	0.21	S	C	*	.	S	Bend	trans	-59.6	-19.1	170.4	73.8	-172.3	-66.5	179.2	0	113.7	G328 I329	G328-K346 WeakPolarHBondContact O-CD 3.26Å; G328-K346 WeakPolarHBondContact O-CE 3.36Å; G328-K346 PolarHBondContact O-NZ 2.91Å; I329-K346 HydrophobicContact CG1-CD 4.4Å; I329-K346 HydrophobicContact CG1-CG 4.23Å
347	I	98.5	Very high	98.7	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.087	20%	0.202	C	C	.	.	S	Bend	trans	-96.2	113.2	172	-58.9	-174.4	0	0	0	107.4	K159 L327 I329 T345 N349 I350	K159-I347 HydrophobicContact CG-CG2 4.41Å; L327-I347 HydrophobicContact CB-CD1 3.91Å; L327-I347 HydrophobicContact CD2-CD1 4.13Å; L327-I347 HydrophobicContact CG-CD1 4.42Å; I329-I347 HydrophobicContact CD1-CD1 4.17Å; I329-I347 HydrophobicContact CD1-CG1 4.4Å; I329-I347 HydrophobicContact CG1-CD1 4.19Å; I329-I347 HydrophobicContact CG1-CG1 4.32Å; T345-I347 PolarHBondContact O-N 2.55Å; T345-I347 VanDerWaalsContact O-N 3.12Å; T345-I347 PolarHBondContact OG1-N 3.34Å; T345-I347 VanDerWaalsContact OG1-N 3.12Å; T345-I347 PolarHBondContact OG1-O 2.82Å; T345-I347 VanDerWaalsContact OG1-O 3.12Å; I347-N349 WeakPolarHBondContact CG2-OD1 3.24Å; I347-N349 PolarHBondContact O-N 3.07Å; I347-I350 HydrophobicContact CB-CB 4.3Å; I347-I350 HydrophobicContact CB-CD1 4.12Å; I347-I350 HydrophobicContact CB-CG1 4.21Å; I347-I350 HydrophobicContact CD1-CD1 4.13Å; I347-I350 HydrophobicContact CG2-CB 4.47Å; I347-I350 HydrophobicContact CG2-CD1 3.92Å; I347-I350 HydrophobicContact CG2-CG1 3.91Å; I347-I350 PolarHBondContact O-N 3.29Å; I347-I350 VanDerWaalsContact O-O 3.11Å
348	P	98.2	Very high	98.7	Very high	90 Å²	90	40.3 Å²	40.3	58%	0.584	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-22.7	-164	-28.3	35.2	0	0	0	117	Q344	Q344-P348 PolarHBondContact NE2-O 3.2Å
349	N	98.7	Very high	98.6	Very high	30 Å²	30	39 Å²	39	16%	0.16	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.5	179.4	74.3	-56.7	0	0	0	113.3	K159 N160 K177 N178 I179 I347	K159-N349 PolarHBondContact O-ND2 3.18Å; N160-N349 PolarHBondContact ND2-ND2 3.33Å; K177-N349 PolarHBondContact O-ND2 3.06Å; N178-N349 WeakPolarHBondContact CA-O 3.48Å; I179-N349 PolarHBondContact N-O 3.3Å; I347-N349 WeakPolarHBondContact CG2-OD1 3.24Å; I347-N349 PolarHBondContact O-N 3.07Å
350	I	98.8	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.1	174	-56.2	-177.1	0	0	0	108	I156 I179 I181 L327 I329 T345 I347	I156-I350 HydrophobicContact CD1-CG2 4.31Å; I156-I350 HydrophobicContact CG2-CD1 4.35Å; I179-I350 HydrophobicContact CB-CG1 4.27Å; I179-I350 HydrophobicContact CB-CG2 4.42Å; I179-I350 HydrophobicContact CD1-CD1 4.39Å; I179-I350 HydrophobicContact CD1-CG1 4.32Å; I179-I350 CarbonylContact O-C 3.54Å; I179-I350 WeakPolarHBondContact O-CA 3.17Å; I181-I350 HydrophobicContact CD1-CG2 3.76Å; I181-I350 HydrophobicContact CG1-CG2 4.33Å; L327-I350 HydrophobicContact CD1-CD1 3.86Å; I329-I350 HydrophobicContact CD1-CD1 4.31Å; I329-I350 HydrophobicContact CD1-CG2 4.23Å; T345-I350 WeakPolarHBondContact CB-O 3.43Å; T345-I350 HydrophobicContact CG2-CG2 4.09Å; T345-I350 WeakPolarHBondContact CG2-O 3.49Å; T345-I350 PolarHBondContact N-O 2.97Å; T345-I350 PolarHBondContact OG1-O 3.14Å; I347-I350 HydrophobicContact CB-CB 4.3Å; I347-I350 HydrophobicContact CB-CD1 4.12Å; I347-I350 HydrophobicContact CB-CG1 4.21Å; I347-I350 HydrophobicContact CD1-CD1 4.13Å; I347-I350 HydrophobicContact CG2-CB 4.47Å; I347-I350 HydrophobicContact CG2-CD1 3.92Å; I347-I350 HydrophobicContact CG2-CG1 3.91Å; I347-I350 PolarHBondContact O-N 3.29Å; I347-I350 VanDerWaalsContact O-O 3.11Å
351	Y	98.9	Very high	98.6	Very high	15 Å²	15	38.5 Å²	38.5	6%	0.059	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160.3	-173.9	-60.8	-107.9	0	0	0	110.3	N178 I179 I181 R342 F343 Q344 C373 M377	N178-Y351 HydrophobicContact CB-CE2 4.31Å; I179-Y351 PolarHBondContact O-N 3.47Å; I181-Y351 WeakPolarHBondContact CB-O 3.43Å; I181-Y351 WeakPolarHBondContact CG1-O 3.38Å; I181-Y351 PolarHBondContact N-O 3.06Å; R342-Y351 WeakPolarHBondContact O-CD1 3.49Å; R342-Y351 WeakPolarHBondContact O-CE1 3.28Å; F343-Y351 CarbonylContact O-C 3.47Å; F343-Y351 WeakPolarHBondContact O-CA 3.28Å; F343-Y351 WeakPolarHBondContact O-CB 3.43Å; Q344-Y351 HydrophobicContact CB-CD1 4.35Å; Q344-Y351 HydrophobicContact CB-CE1 4.35Å; Q344-Y351 HydrophobicContact CG-CD1 3.53Å; Q344-Y351 HydrophobicContact CG-CE1 3.13Å; Q344-Y351 HydrophobicContact CG-CE2 4.39Å; Q344-Y351 HydrophobicContact CG-CG 4.32Å; Q344-Y351 PolarHBondContact NE2-OH 3.38Å; Y351-C373 VanDerWaalsContact CD1-SG 3.53Å; Y351-M377 HydrophobicContact CD1-CE 3.74Å; Y351-M377 HydrophobicContact CD2-CE 3.28Å; Y351-M377 HydrophobicContact CD2-SD 4.47Å; Y351-M377 HydrophobicContact CE1-CE 4.02Å; Y351-M377 HydrophobicContact CE1-CG 3.99Å; Y351-M377 HydrophobicContact CE2-CE 3.63Å; Y351-M377 HydrophobicContact CE2-CG 4.07Å; Y351-M377 HydrophobicContact CE2-SD 4.3Å; Y351-M377 HydrophobicContact CG-CE 3.36Å
352	A	98.9	Very high	98.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	141.9	173	0	0	0	0	0	112.1	I181 I337 V339 F343 T345 V356 V357	I181-A352 HydrophobicContact CB-CB 4Å; I181-A352 WeakPolarHBondContact O-CA 3.4Å; I337-A352 HydrophobicContact CB-CB 4.05Å; I337-A352 HydrophobicContact CD1-CB 4.01Å; I337-A352 HydrophobicContact CG2-CB 3.88Å; V339-A352 HydrophobicContact CG1-CB 3.84Å; F343-A352 PolarHBondContact O-N 2.81Å; T345-A352 HydrophobicContact CG2-CB 4.49Å; A352-V356 HydrophobicContact CB-CG1 4.08Å; A352-V357 HydrophobicContact CB-CG1 3.53Å; A352-V357 WeakPolarHBondContact O-CG1 3.47Å
353	I	98.9	Very high	98.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.187	C	C	.	.			trans	-142.5	166.3	-175.2	60.4	164.4	0	0	0	112.7	G52 A56 L180 I181 A182 F343 V356 E369 G370 C373	G52-I353 WeakPolarHBondContact O-CD1 3.46Å; A56-I353 HydrophobicContact CB-CD1 4.28Å; L180-I353 HydrophobicContact CD1-CB 4.47Å; L180-I353 HydrophobicContact CD1-CD1 4.24Å; L180-I353 HydrophobicContact CD1-CG1 3.94Å; L180-I353 HydrophobicContact CD1-CG2 3.89Å; L180-I353 HydrophobicContact CD2-CD1 4.04Å; L180-I353 HydrophobicContact CG-CD1 4.33Å; L180-I353 HydrophobicContact CG-CG1 4.36Å; I181-I353 PolarHBondContact O-N 3.03Å; A182-I353 HydrophobicContact CB-CD1 4.21Å; A182-I353 HydrophobicContact CB-CG1 4.02Å; F343-I353 HydrophobicContact CB-CG2 4.12Å; F343-I353 HydrophobicContact CD1-CG2 4.1Å; F343-I353 HydrophobicContact CG-CG2 4.09Å; I353-V356 WeakPolarHBondContact O-CG1 3.34Å; I353-E369 HydrophobicContact CB-CB 4.03Å; I353-E369 HydrophobicContact CG2-CB 4.03Å; I353-G370 VanDerWaalsContact CD1-CA 3.43Å; I353-C373 HydrophobicContact CG2-CB 3.95Å
354	G	98.8	Very high	98.6	Very high	4 Å²	4	34.2 Å²	34.2	4%	0.041	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	75.2	-139.7	171.4	0	0	0	0	0	113.5	V356 V357 K365 E369	G354-V356 PolarHBondContact O-N 3.28Å; G354-V357 VanDerWaalsContact O-CG2 3.31Å; G354-V357 WeakPolarHBondContact O-CG2 3.45Å; G354-V357 PolarHBondContact O-N 2.95Å; G354-K365 PolarHBondContact O-NZ 3.03Å; G354-E369 WeakPolarHBondContact CA-OE2 3.32Å; G354-E369 PolarHBondContact N-OE2 3.36Å
355	D	98.8	Very high	98.6	Very high	30 Å²	30	32.3 Å²	32.3	16%	0.16	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.1	-14.1	-175.3	-91.6	22.3	0	0	0	114.4	S185 M361	S185-D355 WeakPolarHBondContact CB-OD2 3.27Å; S185-D355 PolarHBondContact OG-OD2 3.33Å; D355-M361 HydrophobicContact CB-CE 3.93Å; D355-M361 VanDerWaalsContact OD1-CA 3.24Å; D355-M361 WeakPolarHBondContact OD1-CA 3.33Å; D355-M361 WeakPolarHBondContact OD1-CB 3.32Å; D355-M361 WeakPolarHBondContact OD2-CE 3.36Å
356	V	98.8	Very high	98.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-87.1	-11.6	-178.7	83.3	0	0	0	0	112.9	I181 P317 T319 R336 I337 A352 I353 G354	I181-V356 HydrophobicContact CG2-CG1 4.27Å; P317-V356 HydrophobicContact CB-CG2 4.15Å; T319-V356 HydrophobicContact CG2-CG2 3.43Å; T319-V356 VanDerWaalsContact CG2-CG2 3.43Å; R336-V356 CarbonylContact C-O 3.48Å; R336-V356 VanDerWaalsContact CA-O 3.25Å; R336-V356 WeakPolarHBondContact CA-O 3.39Å; R336-V356 WeakPolarHBondContact CB-O 3.4Å; I337-V356 HydrophobicContact CD1-CG1 4.2Å; I337-V356 HydrophobicContact CD1-CG2 3.87Å; I337-V356 HydrophobicContact CG1-CG2 4.12Å; I337-V356 PolarHBondContact N-O 2.86Å; A352-V356 HydrophobicContact CB-CG1 4.08Å; I353-V356 WeakPolarHBondContact O-CG1 3.34Å; G354-V356 PolarHBondContact O-N 3.28Å
357	V	98.9	Very high	98.6	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.018	17%	0.174	C	C	.	.	S	Bend	trans	-115.6	-177.2	-179.4	-58.8	0	0	0	0	111.5	I337 V339 A352 G354	I337-V357 HydrophobicContact CB-CG1 4.41Å; V339-V357 HydrophobicContact CG1-CG1 3.94Å; V339-V357 HydrophobicContact CG2-CB 4.26Å; V339-V357 HydrophobicContact CG2-CG1 4.16Å; A352-V357 HydrophobicContact CB-CG1 3.53Å; A352-V357 WeakPolarHBondContact O-CG1 3.47Å; G354-V357 VanDerWaalsContact O-CG2 3.31Å; G354-V357 WeakPolarHBondContact O-CG2 3.45Å; G354-V357 PolarHBondContact O-N 2.95Å
358	A	98.6	Very high	98.6	Very high	52 Å²	52	31.1 Å²	31.1	43%	0.43	19%	0.189	S	C	.	.	S	Bend	trans	-67.4	164	176.3	0	0	0	0	0	112.9	K365	A358-K365 WeakPolarHBondContact O-CE 3.22Å; A358-K365 PolarHBondContact O-NZ 3.5Å
359	G	97.8	Very high	98.7	Very high	40 Å²	40	26.8 Å²	26.8	41%	0.412	16%	0.162	S	C	.	.	S	Bend	trans	103.4	-178.1	179.9	0	0	0	0	0	114.3
360	P	97.9	Very high	98.7	Very high	45 Å²	45	25.4 Å²	25.4	29%	0.292	15%	0.154	S	C	.	.			trans	-60.8	133.9	176.5	-22.4	33.6	0	0	0	111.9	L362 K365	P360-L362 VanDerWaalsContact C-N 3.26Å; P360-L362 HydrophobicContact CB-CD1 3.77Å; P360-L362 HydrophobicContact CB-CG 3.95Å; P360-L362 PolarHBondContact O-N 3.32Å; P360-K365 VanDerWaalsContact O-CD 3.27Å; P360-K365 WeakPolarHBondContact O-CD 3.4Å; P360-K365 VanDerWaalsContact O-CE 3.27Å; P360-K365 WeakPolarHBondContact O-CE 3.36Å; P360-K365 WeakPolarHBondContact O-CG 3.46Å
361	M	98.6	Very high	98.7	Very high	68 Å²	68	27.7 Å²	27.7	34%	0.335	17%	0.166	S	C	.	.			trans	-84.1	70.3	176.1	-65.1	179.6	76.5	0	0	110.1	R315 D355	R315-M361 HydrophobicContact CB-CE 3.73Å; R315-M361 HydrophobicContact CB-SD 4.37Å; D355-M361 HydrophobicContact CB-CE 3.93Å; D355-M361 VanDerWaalsContact OD1-CA 3.24Å; D355-M361 WeakPolarHBondContact OD1-CA 3.33Å; D355-M361 WeakPolarHBondContact OD1-CB 3.32Å; D355-M361 WeakPolarHBondContact OD2-CE 3.36Å
362	L	98.5	Very high	98.7	Very high	46 Å²	46	28 Å²	28	24%	0.241	17%	0.168	C	C	.	.			trans	-126.1	149.3	-174.5	-61.9	174.5	0	0	0	110.7	P360 K365 A366 V389 P390	P360-L362 VanDerWaalsContact C-N 3.26Å; P360-L362 HydrophobicContact CB-CD1 3.77Å; P360-L362 HydrophobicContact CB-CG 3.95Å; P360-L362 PolarHBondContact O-N 3.32Å; L362-K365 HydrophobicContact CB-CB 4.1Å; L362-K365 PolarHBondContact O-N 2.74Å; L362-A366 PolarHBondContact O-N 3.01Å; L362-A366 VanDerWaalsContact O-N 3.11Å; L362-V389 HydrophobicContact CD1-CG1 4.12Å; L362-P390 WeakPolarHBondContact CD1-O 3.45Å
363	A	98.4	Very high	98.7	Very high	26 Å²	26	28 Å²	28	22%	0.215	17%	0.168	C	C	.	.	H	α-helix	trans	-64.5	-51.4	-174.8	0	0	0	0	0	112.3	P51 C80 K365 A366 E367	P51-A363 HydrophobicContact CB-CB 4.12Å; P51-A363 HydrophobicContact CG-CB 3.9Å; C80-A363 HydrophobicContact CB-CB 4.44Å; A363-K365 VanDerWaalsContact C-N 3.34Å; A363-K365 PolarHBondContact O-N 3.11Å; A363-A366 WeakPolarHBondContact O-CA 3.38Å; A363-A366 WeakPolarHBondContact O-CB 3.46Å; A363-A366 PolarHBondContact O-N 3.15Å; A363-E367 WeakPolarHBondContact O-CG 3.4Å; A363-E367 PolarHBondContact O-N 2.89Å
364	H	98.5	Very high	98.7	Very high	64 Å²	64	27.9 Å²	27.9	30%	0.296	17%	0.168	S	C	.	.	H	α-helix	trans	-63.7	-36.5	178.9	52.2	-70.8	0	0	0	112.6	A366 E367 D368 P390	H364-A366 VanDerWaalsContact C-N 3.31Å; H364-A366 PolarHBondContact O-N 2.79Å; H364-E367 PolarHBondContact O-N 2.82Å; H364-D368 PolarHBondContact O-N 2.84Å; H364-P390 PolarHBondContact CE1-O 2.79Å; H364-P390 PolarHBondContact NE2-O 3.41Å
365	K	98.7	Very high	98.7	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-56.1	-46.5	169.4	178.4	-81.6	-158	-171.9	0	111.1	G354 A358 P360 L362 A363 E369 Y386 V389	G354-K365 PolarHBondContact O-NZ 3.03Å; A358-K365 WeakPolarHBondContact O-CE 3.22Å; A358-K365 PolarHBondContact O-NZ 3.5Å; P360-K365 VanDerWaalsContact O-CD 3.27Å; P360-K365 WeakPolarHBondContact O-CD 3.4Å; P360-K365 VanDerWaalsContact O-CE 3.27Å; P360-K365 WeakPolarHBondContact O-CE 3.36Å; P360-K365 WeakPolarHBondContact O-CG 3.46Å; L362-K365 HydrophobicContact CB-CB 4.1Å; L362-K365 PolarHBondContact O-N 2.74Å; A363-K365 VanDerWaalsContact C-N 3.34Å; A363-K365 PolarHBondContact O-N 3.11Å; K365-E369 HydrophobicContact CD-CG 4.22Å; K365-E369 WeakPolarHBondContact CD-OE2 3.44Å; K365-E369 WeakPolarHBondContact CE-OE1 3.49Å; K365-E369 WeakPolarHBondContact CE-OE2 3.48Å; K365-E369 IonicContact NZ-OE1 3.58Å; K365-E369 PolarHBondContact NZ-OE1 3.05Å; K365-E369 IonicContact NZ-OE2 2.72Å; K365-E369 PolarHBondContact NZ-OE2 2.92Å; K365-E369 WeakPolarHBondContact O-CB 3.13Å; K365-E369 VanDerWaalsContact O-CG 3.28Å; K365-E369 WeakPolarHBondContact O-CG 3.46Å; K365-E369 PolarHBondContact O-N 2.7Å; K365-Y386 HydrophobicContact CG-CE1 4.24Å; K365-V389 HydrophobicContact CB-CG1 4.18Å
366	A	98.9	Very high	98.7	Very high	7 Å²	7	29.4 Å²	29.4	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-67.2	-38	178.8	0	0	0	0	0	112.4	G52 L362 A363 H364 G370	G52-A366 VanDerWaalsContact CA-C 3.41Å; G52-A366 WeakPolarHBondContact CA-O 3.39Å; L362-A366 PolarHBondContact O-N 3.01Å; L362-A366 VanDerWaalsContact O-N 3.11Å; A363-A366 WeakPolarHBondContact O-CA 3.38Å; A363-A366 WeakPolarHBondContact O-CB 3.46Å; A363-A366 PolarHBondContact O-N 3.15Å; H364-A366 VanDerWaalsContact C-N 3.31Å; H364-A366 PolarHBondContact O-N 2.79Å; A366-G370 PolarHBondContact O-N 3.15Å
367	E	98.9	Very high	98.6	Very high	53 Å²	53	30.8 Å²	30.8	25%	0.248	18%	0.182	C	C	.	.	H	α-helix	trans	-61.3	-50.6	176	-68.5	179.2	152.9	0	0	111.3	P51 Y54 V55 A363 H364 G370 I371	P51-E367 HydrophobicContact CB-CG 3.62Å; Y54-E367 PolarHBondContact OH-OE1 2.69Å; V55-E367 HydrophobicContact CB-CB 4.5Å; V55-E367 HydrophobicContact CB-CG 4.38Å; V55-E367 HydrophobicContact CG1-CB 4.48Å; V55-E367 HydrophobicContact CG2-CB 4.29Å; V55-E367 HydrophobicContact CG2-CG 3.78Å; A363-E367 WeakPolarHBondContact O-CG 3.4Å; A363-E367 PolarHBondContact O-N 2.89Å; H364-E367 PolarHBondContact O-N 2.82Å; E367-G370 WeakPolarHBondContact O-CA 2.93Å; E367-G370 PolarHBondContact O-N 2.9Å; E367-G370 VanDerWaalsContact O-N 3.08Å; E367-I371 WeakPolarHBondContact O-CG1 3.23Å; E367-I371 PolarHBondContact O-N 2.8Å
368	D	98.8	Very high	98.6	Very high	78 Å²	78	33.2 Å²	33.2	42%	0.417	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-45.3	-179.8	-75.3	-1.3	0	0	0	111.8	H364 G370 I371 I372 I384	H364-D368 PolarHBondContact O-N 2.84Å; D368-G370 PolarHBondContact O-N 3.06Å; D368-I371 PolarHBondContact O-N 2.94Å; D368-I371 VanDerWaalsContact O-N 3.16Å; D368-I372 VanDerWaalsContact O-CG1 3.3Å; D368-I372 WeakPolarHBondContact O-CG1 3.5Å; D368-I372 PolarHBondContact O-N 2.97Å; D368-I384 HydrophobicContact CB-CD1 4.05Å
369	E	98.9	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.4	-39.1	172.5	-75	-175.5	162.8	0	0	111.9	F343 I353 G354 K365 C373 I384 Y386	F343-E369 HydrophobicContact CE1-CB 4.11Å; F343-E369 HydrophobicContact CE1-CG 3.62Å; F343-E369 HydrophobicContact CZ-CB 4.19Å; F343-E369 HydrophobicContact CZ-CG 3.7Å; I353-E369 HydrophobicContact CB-CB 4.03Å; I353-E369 HydrophobicContact CG2-CB 4.03Å; G354-E369 WeakPolarHBondContact CA-OE2 3.32Å; G354-E369 PolarHBondContact N-OE2 3.36Å; K365-E369 HydrophobicContact CD-CG 4.22Å; K365-E369 WeakPolarHBondContact CD-OE2 3.44Å; K365-E369 WeakPolarHBondContact CE-OE1 3.49Å; K365-E369 WeakPolarHBondContact CE-OE2 3.48Å; K365-E369 IonicContact NZ-OE1 3.58Å; K365-E369 PolarHBondContact NZ-OE1 3.05Å; K365-E369 IonicContact NZ-OE2 2.72Å; K365-E369 PolarHBondContact NZ-OE2 2.92Å; K365-E369 WeakPolarHBondContact O-CB 3.13Å; K365-E369 VanDerWaalsContact O-CG 3.28Å; K365-E369 WeakPolarHBondContact O-CG 3.46Å; K365-E369 PolarHBondContact O-N 2.7Å; E369-C373 WeakPolarHBondContact O-CB 3.38Å; E369-C373 PolarHBondContact O-N 3.23Å; E369-I384 HydrophobicContact CG-CD1 4.14Å; E369-Y386 WeakPolarHBondContact OE1-CE1 3.3Å; E369-Y386 PolarHBondContact OE1-OH 3.01Å
370	G	98.9	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.8	-46.4	175.7	0	0	0	0	0	113.2	I353 A366 E367 D368 V374	I353-G370 VanDerWaalsContact CD1-CA 3.43Å; A366-G370 PolarHBondContact O-N 3.15Å; E367-G370 WeakPolarHBondContact O-CA 2.93Å; E367-G370 PolarHBondContact O-N 2.9Å; E367-G370 VanDerWaalsContact O-N 3.08Å; D368-G370 PolarHBondContact O-N 3.06Å; G370-V374 WeakPolarHBondContact O-CG2 3.42Å; G370-V374 PolarHBondContact O-N 3.04Å
371	I	98.9	Very high	98.6	Very high	48 Å²	48	35.1 Å²	35.1	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-55.8	178.6	-67.6	170.5	0	0	0	110.4	V55 K59 E367 D368 C373 V374 E375	V55-I371 HydrophobicContact CG1-CD1 3.83Å; V55-I371 HydrophobicContact CG1-CG1 3.55Å; K59-I371 HydrophobicContact CD-CG2 4.35Å; K59-I371 HydrophobicContact CG-CG2 4.23Å; E367-I371 WeakPolarHBondContact O-CG1 3.23Å; E367-I371 PolarHBondContact O-N 2.8Å; D368-I371 PolarHBondContact O-N 2.94Å; D368-I371 VanDerWaalsContact O-N 3.16Å; I371-C373 VanDerWaalsContact C-N 3.3Å; I371-C373 PolarHBondContact O-N 2.92Å; I371-V374 VanDerWaalsContact O-CG2 3.26Å; I371-V374 WeakPolarHBondContact O-CG2 3.43Å; I371-V374 PolarHBondContact O-N 3.06Å; I371-E375 HydrophobicContact CG2-CG 4.48Å; I371-E375 WeakPolarHBondContact O-CG 3.43Å; I371-E375 PolarHBondContact O-N 3.46Å
372	I	98.7	Very high	98.6	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.108	22%	0.22	C	C	.	.	H	α-helix	trans	-70.2	-28.7	-174.1	69	-173.2	0	0	0	112	F343 D368 G376 V382 I384	F343-I372 HydrophobicContact CD2-CG1 4.41Å; F343-I372 HydrophobicContact CE2-CD1 3.58Å; F343-I372 HydrophobicContact CE2-CG1 3.65Å; F343-I372 HydrophobicContact CZ-CD1 3.91Å; F343-I372 HydrophobicContact CZ-CG1 4.35Å; D368-I372 VanDerWaalsContact O-CG1 3.3Å; D368-I372 WeakPolarHBondContact O-CG1 3.5Å; D368-I372 PolarHBondContact O-N 2.97Å; I372-G376 PolarHBondContact O-N 3.22Å; I372-V382 HydrophobicContact CB-CG1 4.23Å; I372-V382 HydrophobicContact CD1-CG1 4.05Å; I372-V382 HydrophobicContact CG1-CG1 3.93Å; I372-I384 HydrophobicContact CD1-CB 3.64Å; I372-I384 HydrophobicContact CD1-CD1 4.5Å; I372-I384 HydrophobicContact CD1-CG2 3.75Å
373	C	98.9	Very high	98.6	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.7	-48.3	174.1	178.9	0	0	0	0	110.8	F343 Y351 I353 E369 I371 G376 M377	F343-C373 HydrophobicContact CB-CB 4.26Å; F343-C373 HydrophobicContact CD2-CB 4.02Å; F343-C373 HydrophobicContact CG-CB 4.34Å; Y351-C373 VanDerWaalsContact CD1-SG 3.53Å; I353-C373 HydrophobicContact CG2-CB 3.95Å; E369-C373 WeakPolarHBondContact O-CB 3.38Å; E369-C373 PolarHBondContact O-N 3.23Å; I371-C373 VanDerWaalsContact C-N 3.3Å; I371-C373 PolarHBondContact O-N 2.92Å; C373-G376 WeakPolarHBondContact O-CA 3.41Å; C373-G376 PolarHBondContact O-N 3.06Å; C373-M377 WeakPolarHBondContact O-CG 3.21Å; C373-M377 PolarHBondContact O-N 3.44Å; C373-M377 VanDerWaalsContact SG-CE 3.53Å
374	V	98.9	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-77.3	-28.4	-177.7	-58.1	0	0	0	0	112.5	A56 K59 A60 L63 L180 G370 I371 G376 M377 A378	A56-V374 HydrophobicContact CB-CG1 4.08Å; K59-V374 HydrophobicContact CB-CG2 3.8Å; K59-V374 HydrophobicContact CG-CG2 3.54Å; A60-V374 HydrophobicContact CB-CB 4.1Å; A60-V374 HydrophobicContact CB-CG1 4.04Å; A60-V374 HydrophobicContact CB-CG2 4.38Å; L63-V374 HydrophobicContact CD1-CG2 4.12Å; L180-V374 HydrophobicContact CD2-CG1 4.13Å; G370-V374 WeakPolarHBondContact O-CG2 3.42Å; G370-V374 PolarHBondContact O-N 3.04Å; I371-V374 VanDerWaalsContact O-CG2 3.26Å; I371-V374 WeakPolarHBondContact O-CG2 3.43Å; I371-V374 PolarHBondContact O-N 3.06Å; V374-G376 VanDerWaalsContact C-N 3.31Å; V374-M377 HydrophobicContact CG1-CE 4.48Å; V374-M377 HydrophobicContact CG1-SD 4.23Å; V374-M377 WeakPolarHBondContact O-CB 3.18Å; V374-M377 PolarHBondContact O-N 3.47Å; V374-A378 PolarHBondContact O-N 3.29Å; V374-A378 VanDerWaalsContact O-N 3.09Å
375	E	98.8	Very high	98.6	Very high	58 Å²	58	38.5 Å²	38.5	27%	0.271	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-40.9	165.7	-72.4	178.4	159.7	0	0	111	K59 L63 I371 M377 A378 G379 G380	K59-E375 WeakPolarHBondContact CE-OE1 3.25Å; K59-E375 IonicContact NZ-OE1 3.76Å; K59-E375 PolarHBondContact NZ-OE1 3.42Å; L63-E375 HydrophobicContact CD1-CG 3.98Å; I371-E375 HydrophobicContact CG2-CG 4.48Å; I371-E375 WeakPolarHBondContact O-CG 3.43Å; I371-E375 PolarHBondContact O-N 3.46Å; E375-M377 PolarHBondContact O-N 2.77Å; E375-A378 CarbonylContact O-C 3.6Å; E375-A378 WeakPolarHBondContact O-CA 3.41Å; E375-A378 WeakPolarHBondContact O-CB 3.38Å; E375-A378 PolarHBondContact O-N 3.12Å; E375-A378 VanDerWaalsContact O-N 3.08Å; E375-G379 PolarHBondContact O-N 3.48Å; E375-G380 WeakPolarHBondContact O-CA 3.41Å; E375-G380 PolarHBondContact O-N 2.92Å
376	G	98.7	Very high	98.6	Very high	8 Å²	8	42.9 Å²	42.9	8%	0.082	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-39.8	172.2	0	0	0	0	0	113.4	R342 I372 C373 V374 A378 G379	R342-G376 PolarHBondContact NH1-O 3.48Å; R342-G376 VanDerWaalsContact NH1-O 3.15Å; I372-G376 PolarHBondContact O-N 3.22Å; C373-G376 WeakPolarHBondContact O-CA 3.41Å; C373-G376 PolarHBondContact O-N 3.06Å; V374-G376 VanDerWaalsContact C-N 3.31Å; G376-A378 VanDerWaalsContact C-N 3.26Å; G376-A378 PolarHBondContact O-N 3Å; G376-G379 PolarHBondContact O-N 3.08Å; G376-G379 VanDerWaalsContact O-N 3.12Å
377	M	98.7	Very high	98.6	Very high	29 Å²	29	45 Å²	45	14%	0.143	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-32.9	172.6	-65.8	176.2	-168	0	0	112.1	V44 F65 N178 L180 Y351 C373 V374 E375 G379	V44-M377 HydrophobicContact CG1-SD 4.38Å; V44-M377 HydrophobicContact CG2-SD 4.07Å; F65-M377 HydrophobicContact CE2-CB 4.26Å; F65-M377 HydrophobicContact CZ-CB 4.23Å; N178-M377 HydrophobicContact CB-SD 4.19Å; L180-M377 HydrophobicContact CB-CE 4.32Å; L180-M377 HydrophobicContact CD1-CE 4.41Å; Y351-M377 HydrophobicContact CD1-CE 3.74Å; Y351-M377 HydrophobicContact CD2-CE 3.28Å; Y351-M377 HydrophobicContact CD2-SD 4.47Å; Y351-M377 HydrophobicContact CE1-CE 4.02Å; Y351-M377 HydrophobicContact CE1-CG 3.99Å; Y351-M377 HydrophobicContact CE2-CE 3.63Å; Y351-M377 HydrophobicContact CE2-CG 4.07Å; Y351-M377 HydrophobicContact CE2-SD 4.3Å; Y351-M377 HydrophobicContact CG-CE 3.36Å; C373-M377 WeakPolarHBondContact O-CG 3.21Å; C373-M377 PolarHBondContact O-N 3.44Å; C373-M377 VanDerWaalsContact SG-CE 3.53Å; V374-M377 HydrophobicContact CG1-CE 4.48Å; V374-M377 HydrophobicContact CG1-SD 4.23Å; V374-M377 WeakPolarHBondContact O-CB 3.18Å; V374-M377 PolarHBondContact O-N 3.47Å; E375-M377 PolarHBondContact O-N 2.77Å; M377-G379 PolarHBondContact O-N 3.01Å
378	A	98.6	Very high	98.5	Very high	54 Å²	54	42.8 Å²	42.8	45%	0.446	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	5.3	175.2	0	0	0	0	0	113.8	L63 F65 V374 E375 G376	L63-A378 HydrophobicContact CD1-CB 4.2Å; F65-A378 HydrophobicContact CE2-CB 3.99Å; F65-A378 HydrophobicContact CZ-CB 4.06Å; V374-A378 PolarHBondContact O-N 3.29Å; V374-A378 VanDerWaalsContact O-N 3.09Å; E375-A378 CarbonylContact O-C 3.6Å; E375-A378 WeakPolarHBondContact O-CA 3.41Å; E375-A378 WeakPolarHBondContact O-CB 3.38Å; E375-A378 PolarHBondContact O-N 3.12Å; E375-A378 VanDerWaalsContact O-N 3.08Å; G376-A378 VanDerWaalsContact C-N 3.26Å; G376-A378 PolarHBondContact O-N 3Å
379	G	98.2	Very high	98.5	Very high	63 Å²	63	39.9 Å²	39.9	65%	0.649	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.6	3.2	178.9	0	0	0	0	0	114.9	E375 G376 M377	E375-G379 PolarHBondContact O-N 3.48Å; G376-G379 PolarHBondContact O-N 3.08Å; G376-G379 VanDerWaalsContact O-N 3.12Å; M377-G379 PolarHBondContact O-N 3.01Å
380	G	98.1	Very high	98.5	Very high	31 Å²	31	40.8 Å²	40.8	32%	0.32	25%	0.249	S	C	.	.			trans	-69.8	173.8	175.5	0	0	0	0	0	114.1	R342 E375	R342-G380 PolarHBondContact NH1-O 2.85Å; R342-G380 PolarHBondContact NH2-O 2.94Å; E375-G380 WeakPolarHBondContact O-CA 3.41Å; E375-G380 PolarHBondContact O-N 2.92Å
381	A	98	Very high	98.5	Very high	83 Å²	83	41.9 Å²	41.9	69%	0.686	26%	0.257	S	S	*	.			trans	-74.3	153	170.2	0	0	0	0	0	110.6
382	V	98.3	Very high	98.5	Very high	32 Å²	32	40.7 Å²	40.7	19%	0.194	25%	0.252	C	S	.	.			trans	-128.9	107.9	176.6	-173.5	0	0	0	0	107.8	T341 R342 F343 I372	T341-V382 VanDerWaalsContact O-CG1 3.3Å; T341-V382 WeakPolarHBondContact O-CG1 3.3Å; R342-V382 HydrophobicContact CG-CB 4.47Å; R342-V382 HydrophobicContact CG-CG2 4.11Å; F343-V382 HydrophobicContact CD2-CG1 3.89Å; F343-V382 HydrophobicContact CE2-CG1 3.52Å; I372-V382 HydrophobicContact CB-CG1 4.23Å; I372-V382 HydrophobicContact CD1-CG1 4.05Å; I372-V382 HydrophobicContact CG1-CG1 3.93Å
383	H	98.1	Very high	98.5	Very high	149 Å²	149	39.7 Å²	39.7	69%	0.69	25%	0.247	S	C	*	.			trans	-142.8	133.5	176.4	-173.2	74.8	0	0	0	109.4
384	I	98.3	Very high	98.5	Very high	33 Å²	33	43.9 Å²	43.9	17%	0.169	26%	0.263	C	S	.	.			trans	-144.3	125	170	-177.7	168.9	0	0	0	106.8	F343 D368 E369 I372 Y386	F343-I384 HydrophobicContact CZ-CG2 4.11Å; D368-I384 HydrophobicContact CB-CD1 4.05Å; E369-I384 HydrophobicContact CG-CD1 4.14Å; I372-I384 HydrophobicContact CD1-CB 3.64Å; I372-I384 HydrophobicContact CD1-CD1 4.5Å; I372-I384 HydrophobicContact CD1-CG2 3.75Å; I384-Y386 HydrophobicContact CD1-CD1 4.42Å; I384-Y386 HydrophobicContact CD1-CE1 4.04Å; I384-Y386 HydrophobicContact CG1-CE1 4.44Å; I384-Y386 HydrophobicContact CG2-CE1 4.17Å; I384-Y386 HydrophobicContact CG2-CE2 3.91Å
385	D	98.4	Very high	98.5	Very high	61 Å²	61	44 Å²	44	33%	0.326	26%	0.264	S	S	.	.			trans	-91	102.4	171.7	-171.9	-4	0	0	0	109.4	N387 C388	D385-N387 PolarHBondContact O-N 3.05Å; D385-N387 VanDerWaalsContact O-N 3.13Å; D385-N387 WeakPolarHBondContact OD1-CB 3.37Å; D385-N387 PolarHBondContact OD1-N 3.19Å; D385-C388 HydrophobicContact CB-CB 4.25Å; D385-C388 PolarHBondContact O-N 2.85Å
386	Y	98.4	Very high	98.5	Very high	92 Å²	92	43.8 Å²	43.8	36%	0.361	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.9	-17.5	177.3	-65.2	-70.2	0	0	0	113.4	K365 E369 I384 C388 V389	K365-Y386 HydrophobicContact CG-CE1 4.24Å; E369-Y386 WeakPolarHBondContact OE1-CE1 3.3Å; E369-Y386 PolarHBondContact OE1-OH 3.01Å; I384-Y386 HydrophobicContact CD1-CD1 4.42Å; I384-Y386 HydrophobicContact CD1-CE1 4.04Å; I384-Y386 HydrophobicContact CG1-CE1 4.44Å; I384-Y386 HydrophobicContact CG2-CE1 4.17Å; I384-Y386 HydrophobicContact CG2-CE2 3.91Å; Y386-C388 VanDerWaalsContact C-N 3.28Å; Y386-V389 HydrophobicContact CD1-CG2 4.44Å
387	N	98.5	Very high	98.5	Very high	51 Å²	51	43.5 Å²	43.5	27%	0.273	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-72.4	-23.5	173	-174	69.3	0	0	0	112.4	D385 G403 K404	D385-N387 PolarHBondContact O-N 3.05Å; D385-N387 VanDerWaalsContact O-N 3.13Å; D385-N387 WeakPolarHBondContact OD1-CB 3.37Å; D385-N387 PolarHBondContact OD1-N 3.19Å; N387-G403 VanDerWaalsContact O-CA 3.3Å; N387-G403 WeakPolarHBondContact O-CA 3.32Å; N387-G403 PolarHBondContact O-N 3.15Å; N387-K404 WeakPolarHBondContact OD1-CD 3.35Å; N387-K404 WeakPolarHBondContact OD1-CE 3.43Å
388	C	98.7	Very high	98.5	Very high	7 Å²	7	44.2 Å²	44.2	5%	0.047	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-92.4	1	178.1	-66.6	0	0	0	0	113.4	D385 Y386 P390 V402 E472	D385-C388 HydrophobicContact CB-CB 4.25Å; D385-C388 PolarHBondContact O-N 2.85Å; Y386-C388 VanDerWaalsContact C-N 3.28Å; C388-P390 VanDerWaalsContact O-CD 3.3Å; C388-P390 WeakPolarHBondContact O-CD 3.5Å; C388-V402 WeakPolarHBondContact O-CG2 3.34Å; C388-E472 HydrophobicContact CB-CG 3.96Å; C388-E472 WeakPolarHBondContact CB-OE1 3.38Å
389	V	98.7	Very high	98.6	Very high	18 Å²	18	41.7 Å²	41.7	11%	0.109	24%	0.242	C	C	.	.			trans	-78.8	115.3	177.6	176.1	0	0	0	0	110.1	L362 K365 Y386	L362-V389 HydrophobicContact CD1-CG1 4.12Å; K365-V389 HydrophobicContact CB-CG1 4.18Å; Y386-V389 HydrophobicContact CD1-CG2 4.44Å
390	P	98.8	Very high	98.6	Very high	18 Å²	18	38.7 Å²	38.7	12%	0.117	21%	0.211	C	C	.	.			trans	-74.1	153.7	-179	30.7	-35.4	0	0	0	111.9	L362 H364 C388 W401 V402 V464	L362-P390 WeakPolarHBondContact CD1-O 3.45Å; H364-P390 PolarHBondContact CE1-O 2.79Å; H364-P390 PolarHBondContact NE2-O 3.41Å; C388-P390 VanDerWaalsContact O-CD 3.3Å; C388-P390 WeakPolarHBondContact O-CD 3.5Å; P390-W401 CarbonylContact C-O 3.49Å; P390-W401 WeakPolarHBondContact CA-O 3.44Å; P390-V402 HydrophobicContact CB-CB 4.28Å; P390-V464 HydrophobicContact CB-CG1 3.99Å; P390-V464 HydrophobicContact CB-CG2 3.87Å
391	S	98.9	Very high	98.6	Very high	24 Å²	24	38.1 Å²	38.1	17%	0.168	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.1	170.1	-67.4	0	0	0	0	109.9	A400 W401	S391-A400 CarbonylContact O-C 3.26Å; S391-A400 WeakPolarHBondContact O-CA 3.48Å; S391-W401 PolarHBondContact N-O 2.83Å; S391-W401 PolarHBondContact O-N 2.68Å
392	V	98.8	Very high	98.7	Very high	23 Å²	23	34.2 Å²	34.2	14%	0.139	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.2	-177.9	-171.8	0	0	0	0	111.2	Y394 V399 A400 V464	V392-Y394 HydrophobicContact CB-CD2 4.13Å; V392-Y394 HydrophobicContact CB-CE2 3.55Å; V392-Y394 HydrophobicContact CG1-CD1 4.09Å; V392-Y394 HydrophobicContact CG1-CD2 3.71Å; V392-Y394 HydrophobicContact CG1-CE1 3.83Å; V392-Y394 HydrophobicContact CG1-CE2 3.47Å; V392-Y394 VanDerWaalsContact CG1-CE2 3.47Å; V392-Y394 HydrophobicContact CG1-CG 4.06Å; V392-V399 CarbonylContact C-O 3.55Å; V392-V399 VanDerWaalsContact CA-O 3.31Å; V392-V399 WeakPolarHBondContact CA-O 3.43Å; V392-A400 HydrophobicContact CB-CB 4.47Å; V392-A400 HydrophobicContact CG1-CB 4.3Å; V392-A400 HydrophobicContact CG2-CB 3.96Å; V392-V464 HydrophobicContact CG2-CG1 4.05Å
393	I	98.8	Very high	98.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.8	168.1	-47.9	-177.2	0	0	0	107.3	V223 V226 E227 I253 F261 T395 E398 V399 W401	V223-I393 HydrophobicContact CB-CG1 4.44Å; V223-I393 HydrophobicContact CG1-CB 4.47Å; V223-I393 HydrophobicContact CG1-CG1 4.08Å; V223-I393 HydrophobicContact CG1-CG2 4.34Å; V223-I393 HydrophobicContact CG2-CD1 4.11Å; V223-I393 HydrophobicContact CG2-CG1 3.93Å; V226-I393 HydrophobicContact CG2-CG2 3.77Å; E227-I393 HydrophobicContact CG-CG2 4.03Å; I253-I393 HydrophobicContact CD1-CD1 4.43Å; F261-I393 HydrophobicContact CE1-CD1 4.06Å; F261-I393 HydrophobicContact CE1-CG2 4.47Å; F261-I393 HydrophobicContact CZ-CG2 4.13Å; I393-T395 HydrophobicContact CG2-CG2 4.02Å; I393-T395 PolarHBondContact O-N 2.85Å; I393-T395 VanDerWaalsContact O-N 3.15Å; I393-E398 WeakPolarHBondContact O-CA 3.37Å; I393-V399 HydrophobicContact CB-CB 4.06Å; I393-V399 HydrophobicContact CB-CG2 4.43Å; I393-V399 HydrophobicContact CD1-CB 4.27Å; I393-V399 HydrophobicContact CG1-CB 4.23Å; I393-V399 PolarHBondContact N-O 3.06Å; I393-V399 PolarHBondContact O-N 2.56Å; I393-W401 HydrophobicContact CD1-CH2 4.43Å; I393-W401 HydrophobicContact CD1-CZ3 4.14Å; I393-W401 HydrophobicContact CG1-CH2 4.44Å; I393-W401 HydrophobicContact CG1-CZ3 4.04Å
394	Y	98.8	Very high	98.7	Very high	87 Å²	87	28.4 Å²	28.4	34%	0.341	14%	0.141	S	C	.	.			trans	-91.7	34.2	-170.5	-65.6	-99.9	0	0	0	112.6	K89 L92 E227 V392	K89-Y394 HydrophobicContact CD-CD2 4.27Å; K89-Y394 HydrophobicContact CD-CG 4.34Å; K89-Y394 VanDerWaalsContact CE-CE2 3.46Å; K89-Y394 HydrophobicContact CG-CD1 4.3Å; K89-Y394 HydrophobicContact CG-CG 4.18Å; L92-Y394 WeakPolarHBondContact CD1-O 3.49Å; E227-Y394 WeakPolarHBondContact OE1-CD2 3.45Å; E227-Y394 PolarHBondContact OE1-N 3.05Å; V392-Y394 HydrophobicContact CB-CD2 4.13Å; V392-Y394 HydrophobicContact CB-CE2 3.55Å; V392-Y394 HydrophobicContact CG1-CD1 4.09Å; V392-Y394 HydrophobicContact CG1-CD2 3.71Å; V392-Y394 HydrophobicContact CG1-CE1 3.83Å; V392-Y394 HydrophobicContact CG1-CE2 3.47Å; V392-Y394 VanDerWaalsContact CG1-CE2 3.47Å; V392-Y394 HydrophobicContact CG1-CG 4.06Å
395	T	98.7	Very high	98.8	Very high	3 Å²	3	27 Å²	27	2%	0.018	13%	0.134	C	C	.	.	S	Bend	trans	-67.5	-176.5	165.9	46.9	0	0	0	0	110.3	V226 E227 F261 I393 P397 E398	V226-T395 HydrophobicContact CG2-CG2 4.42Å; E227-T395 HydrophobicContact CG-CG2 4.44Å; F261-T395 HydrophobicContact CE2-CG2 4.36Å; F261-T395 WeakPolarHBondContact CE2-OG1 3.38Å; F261-T395 HydrophobicContact CZ-CG2 3.97Å; F261-T395 VanDerWaalsContact CZ-OG1 3.23Å; F261-T395 WeakPolarHBondContact CZ-OG1 3.25Å; I393-T395 HydrophobicContact CG2-CG2 4.02Å; I393-T395 PolarHBondContact O-N 2.85Å; I393-T395 VanDerWaalsContact O-N 3.15Å; T395-P397 VanDerWaalsContact C-C 3.47Å; T395-P397 CarbonylContact C-O 3.55Å; T395-P397 WeakPolarHBondContact CB-O 3.26Å; T395-P397 CarbonylContact O-C 3.3Å; T395-P397 VanDerWaalsContact O-C 3.26Å; T395-P397 PolarHBondContact OG1-O 2.86Å; T395-E398 WeakPolarHBondContact O-CA 3.34Å; T395-E398 WeakPolarHBondContact O-CG 3.35Å; T395-E398 PolarHBondContact O-N 2.85Å
396	H	98.7	Very high	98.8	Very high	54 Å²	54	25.3 Å²	25.3	25%	0.25	12%	0.124	C	C	.	.	S	Bend	trans	-131.5	109.2	172.1	-171.7	86	0	0	0	106.8	H96 R234 Q268 D434	H96-H396 AromaticContact CE1-CD2 3.38Å; H96-H396 PolarHBondContact CE1-CD2 2.88Å; H96-H396 AromaticContact CE1-CE1 3.51Å; H96-H396 AromaticContact CE1-CG 3.42Å; H96-H396 VanDerWaalsContact CE1-CG 3.42Å; H96-H396 AromaticContact CE1-ND1 3.51Å; H96-H396 AromaticContact CE1-NE2 3.41Å; H96-H396 PolarHBondContact CE1-NE2 2.82Å; H96-H396 AromaticContact ND1-CD2 3.79Å; H96-H396 AromaticContact ND1-CG 3.64Å; H96-H396 AromaticContact NE2-CE1 3.81Å; H96-H396 AromaticContact NE2-ND1 3.8Å; R234-H396 VanDerWaalsContact NH2-CB 3.34Å; Q268-H396 PolarHBondContact NE2-O 3.2Å; H396-D434 IonicContact CE1-OD2 3.81Å; H396-D434 PolarHBondContact CE1-OD2 2.94Å; H396-D434 IonicContact NE2-OD1 2.67Å; H396-D434 IonicContact NE2-OD2 3.96Å
397	P	98.7	Very high	98.8	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	12%	0.118	C	C	.	.	S	Bend	cis	-64.5	155	2.1	30.1	-36.7	0	0	0	112.9	I264 T395 D436 L456	I264-P397 HydrophobicContact CD1-CG 4.07Å; I264-P397 VanDerWaalsContact CG2-CD 3.47Å; I264-P397 HydrophobicContact CG2-CG 3.86Å; T395-P397 VanDerWaalsContact C-C 3.47Å; T395-P397 CarbonylContact C-O 3.55Å; T395-P397 WeakPolarHBondContact CB-O 3.26Å; T395-P397 CarbonylContact O-C 3.3Å; T395-P397 VanDerWaalsContact O-C 3.26Å; T395-P397 PolarHBondContact OG1-O 2.86Å; P397-D436 HydrophobicContact CG-CB 4.24Å; P397-L456 HydrophobicContact CB-CD1 4.26Å; P397-L456 HydrophobicContact CG-CD1 3.8Å
398	E	98.9	Very high	98.8	Very high	45 Å²	45	24 Å²	24	21%	0.21	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	158.4	172.1	-67.3	-178.1	165.8	0	0	109.8	I393 T395 L456 G457 A460 G461	I393-E398 WeakPolarHBondContact O-CA 3.37Å; T395-E398 WeakPolarHBondContact O-CA 3.34Å; T395-E398 WeakPolarHBondContact O-CG 3.35Å; T395-E398 PolarHBondContact O-N 2.85Å; E398-L456 WeakPolarHBondContact O-CA 3.38Å; E398-G457 PolarHBondContact N-O 2.92Å; E398-G457 PolarHBondContact O-N 2.67Å; E398-A460 HydrophobicContact CB-CB 3.73Å; E398-A460 PolarHBondContact OE2-N 3.04Å; E398-A460 VanDerWaalsContact OE2-N 3.12Å; E398-G461 PolarHBondContact OE2-N 3.33Å
399	V	98.9	Very high	98.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.2	169.9	-168.8	0	0	0	0	108	I253 I257 F261 V392 I393 W401 I455 L456	I253-V399 HydrophobicContact CD1-CG1 4.16Å; I257-V399 HydrophobicContact CG2-CG1 3.68Å; F261-V399 HydrophobicContact CB-CG2 4.28Å; F261-V399 HydrophobicContact CD1-CG2 3.92Å; F261-V399 HydrophobicContact CD2-CG2 3.55Å; F261-V399 HydrophobicContact CE1-CG2 4.05Å; F261-V399 HydrophobicContact CE2-CG2 3.71Å; F261-V399 HydrophobicContact CG-CG2 3.66Å; F261-V399 HydrophobicContact CZ-CG2 3.93Å; V392-V399 CarbonylContact C-O 3.55Å; V392-V399 VanDerWaalsContact CA-O 3.31Å; V392-V399 WeakPolarHBondContact CA-O 3.43Å; I393-V399 HydrophobicContact CB-CB 4.06Å; I393-V399 HydrophobicContact CB-CG2 4.43Å; I393-V399 HydrophobicContact CD1-CB 4.27Å; I393-V399 HydrophobicContact CG1-CB 4.23Å; I393-V399 PolarHBondContact N-O 3.06Å; I393-V399 PolarHBondContact O-N 2.56Å; V399-W401 HydrophobicContact CG1-CE3 4.14Å; V399-W401 HydrophobicContact CG1-CZ3 4.21Å; V399-I455 CarbonylContact C-O 3.58Å; V399-I455 WeakPolarHBondContact CA-O 3.37Å; V399-L456 HydrophobicContact CG2-CD1 3.78Å
400	A	98.9	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.3	174.9	0	0	0	0	0	111.4	S391 V392 I455 A460 V464	S391-A400 CarbonylContact O-C 3.26Å; S391-A400 WeakPolarHBondContact O-CA 3.48Å; V392-A400 HydrophobicContact CB-CB 4.47Å; V392-A400 HydrophobicContact CG1-CB 4.3Å; V392-A400 HydrophobicContact CG2-CB 3.96Å; A400-I455 PolarHBondContact N-O 3.36Å; A400-I455 PolarHBondContact O-N 3.05Å; A400-A460 VanDerWaalsContact CB-C 3.5Å; A400-A460 HydrophobicContact CB-CB 3.8Å; A400-A460 WeakPolarHBondContact CB-O 3.44Å; A400-V464 HydrophobicContact CB-CB 3.66Å; A400-V464 HydrophobicContact CB-CG1 3.86Å; A400-V464 HydrophobicContact CB-CG2 4.07Å
401	W	98.9	Very high	98.7	Very high	19 Å²	19	35.6 Å²	35.6	7%	0.072	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	158.1	176.4	69	96.6	0	0	0	112.7	G252 I253 P390 S391 I393 V399 A453 H454	G252-W401 PolarHBondContact O-NE1 3.25Å; I253-W401 HydrophobicContact CB-CH2 4.11Å; I253-W401 HydrophobicContact CB-CZ2 4.16Å; I253-W401 HydrophobicContact CB-CZ3 4.41Å; I253-W401 HydrophobicContact CD1-CZ3 4.28Å; I253-W401 HydrophobicContact CG1-CE3 4.37Å; I253-W401 HydrophobicContact CG1-CH2 4.41Å; I253-W401 HydrophobicContact CG1-CZ3 4.2Å; P390-W401 CarbonylContact C-O 3.49Å; P390-W401 WeakPolarHBondContact CA-O 3.44Å; S391-W401 PolarHBondContact N-O 2.83Å; S391-W401 PolarHBondContact O-N 2.68Å; I393-W401 HydrophobicContact CD1-CH2 4.43Å; I393-W401 HydrophobicContact CD1-CZ3 4.14Å; I393-W401 HydrophobicContact CG1-CH2 4.44Å; I393-W401 HydrophobicContact CG1-CZ3 4.04Å; V399-W401 HydrophobicContact CG1-CE3 4.14Å; V399-W401 HydrophobicContact CG1-CZ3 4.21Å; W401-A453 WeakPolarHBondContact CA-O 3.27Å; W401-A453 WeakPolarHBondContact CB-O 3.25Å; W401-H454 HydrophobicContact CB-CB 4.29Å; W401-H454 WeakPolarHBondContact CB-ND1 3.22Å; W401-H454 AromaticContact CG-ND1 3.96Å
402	V	98.9	Very high	98.7	Very high	1 Å²	1	39 Å²	39	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150.5	174.7	61.9	0	0	0	0	109.5	C388 P390 G452 A453 V464 A467 A468 L471	C388-V402 WeakPolarHBondContact O-CG2 3.34Å; P390-V402 HydrophobicContact CB-CB 4.28Å; V402-G452 WeakPolarHBondContact O-CA 3.25Å; V402-A453 HydrophobicContact CG1-CB 4.31Å; V402-A453 PolarHBondContact N-O 2.81Å; V402-A453 PolarHBondContact O-N 2.92Å; V402-V464 HydrophobicContact CB-CG2 4.02Å; V402-V464 HydrophobicContact CG1-CG2 3.84Å; V402-A467 HydrophobicContact CG1-CB 3.69Å; V402-A468 HydrophobicContact CG2-CB 4.29Å; V402-L471 HydrophobicContact CB-CD1 4.09Å; V402-L471 HydrophobicContact CG1-CD1 3.63Å; V402-L471 HydrophobicContact CG2-CD1 3.69Å
403	G	98.8	Very high	98.7	Very high	13 Å²	13	41 Å²	41	13%	0.134	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.2	-155.6	-172.1	0	0	0	0	0	113.3	N387	N387-G403 VanDerWaalsContact O-CA 3.3Å; N387-G403 WeakPolarHBondContact O-CA 3.32Å; N387-G403 PolarHBondContact O-N 3.15Å
404	K	98.8	Very high	98.7	Very high	46 Å²	46	43.4 Å²	43.4	20%	0.2	22%	0.22	C	C	.	.			trans	-86.5	145.6	-173.7	-56.6	-59	-175.8	75.4	0	112.7	N387 Q408 L409 E412 L442 L451 H454	N387-K404 WeakPolarHBondContact OD1-CD 3.35Å; N387-K404 WeakPolarHBondContact OD1-CE 3.43Å; K404-Q408 HydrophobicContact CB-CB 4.32Å; K404-Q408 HydrophobicContact CD-CB 4.42Å; K404-L409 HydrophobicContact CB-CD2 3.62Å; K404-L409 HydrophobicContact CB-CG 3.89Å; K404-L409 HydrophobicContact CG-CD2 3.91Å; K404-E412 IonicContact NZ-OE1 3.73Å; K404-E412 PolarHBondContact NZ-OE1 3.49Å; K404-E412 IonicContact NZ-OE2 2.85Å; K404-E412 PolarHBondContact NZ-OE2 3.39Å; K404-L442 WeakPolarHBondContact O-CD1 3.4Å; K404-L451 PolarHBondContact N-O 3.46Å; K404-H454 PolarHBondContact O-CE1 2.93Å; K404-H454 PolarHBondContact O-NE2 2.97Å
405	S	98.9	Very high	98.7	Very high	4 Å²	4	45.4 Å²	45.4	3%	0.028	23%	0.232	C	C	.	.			trans	-78.6	165.2	165.6	73.4	0	0	0	0	112.1	E407 Q408 L409	S405-E407 PolarHBondContact O-N 2.99Å; S405-E407 PolarHBondContact OG-N 2.9Å; S405-Q408 PolarHBondContact O-N 2.87Å; S405-Q408 PolarHBondContact OG-N 2.91Å; S405-L409 WeakPolarHBondContact O-CG 3.47Å; S405-L409 PolarHBondContact O-N 3Å; S405-L409 VanDerWaalsContact O-N 3.12Å
406	E	98.7	Very high	98.7	Very high	25 Å²	25	47 Å²	47	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-36.7	172.4	-81.4	-158.7	-127.6	0	0	112.3	D254 L409 K410 Y416 K440 L442	D254-E406 PolarHBondContact OD2-N 3.09Å; E406-L409 PolarHBondContact O-N 2.86Å; E406-K410 VanDerWaalsContact O-CG 3.3Å; E406-K410 WeakPolarHBondContact O-CG 3.23Å; E406-K410 PolarHBondContact O-N 3.39Å; E406-K410 IonicContact OE2-NZ 2.63Å; E406-K410 PolarHBondContact OE2-NZ 3.43Å; E406-Y416 HydrophobicContact CG-CE2 3.77Å; E406-Y416 PolarHBondContact OE2-OH 3.14Å; E406-K440 WeakPolarHBondContact OE1-CE 3.43Å; E406-K440 IonicContact OE1-NZ 2.82Å; E406-K440 PolarHBondContact OE1-NZ 3.1Å; E406-L442 HydrophobicContact CB-CD1 4.44Å; E406-L442 HydrophobicContact CG-CD1 3.82Å; E406-L442 HydrophobicContact CG-CD2 3.52Å; E406-L442 HydrophobicContact CG-CG 4.35Å
407	E	98.6	Very high	98.7	Very high	50 Å²	50	47.1 Å²	47.1	23%	0.234	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-45.7	179.5	-69.4	65.6	-128.6	0	0	111.2	M255 S405 L409 K410 E411	M255-E407 HydrophobicContact CB-CG 4.46Å; M255-E407 WeakPolarHBondContact CB-OE1 3.39Å; M255-E407 HydrophobicContact CG-CG 3.7Å; M255-E407 PolarHBondContact N-OE2 2.87Å; M255-E407 VanDerWaalsContact N-OE2 3.09Å; S405-E407 PolarHBondContact O-N 2.99Å; S405-E407 PolarHBondContact OG-N 2.9Å; E407-L409 PolarHBondContact O-N 3.28Å; E407-K410 PolarHBondContact O-N 2.91Å; E407-E411 WeakPolarHBondContact O-CG 3.38Å; E407-E411 PolarHBondContact O-N 3.28Å
408	Q	98.5	Very high	98.7	Very high	64 Å²	64	49.7 Å²	49.7	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-42.4	177.3	-69.3	173.5	-49.7	0	0	111.8	K404 S405 K410 E411 E412	K404-Q408 HydrophobicContact CB-CB 4.32Å; K404-Q408 HydrophobicContact CD-CB 4.42Å; S405-Q408 PolarHBondContact O-N 2.87Å; S405-Q408 PolarHBondContact OG-N 2.91Å; Q408-K410 VanDerWaalsContact C-N 3.31Å; Q408-K410 PolarHBondContact O-N 3Å; Q408-E411 PolarHBondContact O-N 3.24Å; Q408-E412 WeakPolarHBondContact O-CB 3.35Å; Q408-E412 VanDerWaalsContact O-CG 3.26Å; Q408-E412 WeakPolarHBondContact O-CG 3.41Å; Q408-E412 PolarHBondContact O-N 3.1Å
409	L	98.7	Very high	98.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.3	-36.2	177.9	-64.5	-177.1	0	0	0	112.4	K404 S405 E406 E407 G413 I414 Y416 L442 L451	K404-L409 HydrophobicContact CB-CD2 3.62Å; K404-L409 HydrophobicContact CB-CG 3.89Å; K404-L409 HydrophobicContact CG-CD2 3.91Å; S405-L409 WeakPolarHBondContact O-CG 3.47Å; S405-L409 PolarHBondContact O-N 3Å; S405-L409 VanDerWaalsContact O-N 3.12Å; E406-L409 PolarHBondContact O-N 2.86Å; E407-L409 PolarHBondContact O-N 3.28Å; L409-G413 PolarHBondContact O-N 3.32Å; L409-I414 HydrophobicContact CD2-CB 4.3Å; L409-I414 HydrophobicContact CD2-CD1 3.96Å; L409-I414 HydrophobicContact CD2-CG2 4.36Å; L409-I414 PolarHBondContact O-N 2.88Å; L409-Y416 HydrophobicContact CB-CD1 3.7Å; L409-Y416 HydrophobicContact CB-CE1 3.98Å; L409-Y416 HydrophobicContact CB-CG 4.38Å; L409-Y416 HydrophobicContact CD1-CD1 3.94Å; L409-Y416 HydrophobicContact CD1-CD2 4.26Å; L409-Y416 HydrophobicContact CD1-CG 3.74Å; L409-Y416 HydrophobicContact CG-CD1 4.49Å; L409-L442 HydrophobicContact CD1-CB 3.87Å; L409-L442 HydrophobicContact CD1-CD1 3.71Å; L409-L442 HydrophobicContact CD1-CG 4.37Å; L409-L451 HydrophobicContact CD1-CB 4.07Å; L409-L451 HydrophobicContact CD1-CD1 3.9Å; L409-L451 HydrophobicContact CD2-CB 4.25Å; L409-L451 HydrophobicContact CD2-CD1 3.96Å
410	K	98.6	Very high	98.7	Very high	121 Å²	121	51 Å²	51	53%	0.526	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-45.5	173.7	-72	169.3	-164.6	164.2	0	111.7	E406 E407 Q408 E412 G413 Y416	E406-K410 VanDerWaalsContact O-CG 3.3Å; E406-K410 WeakPolarHBondContact O-CG 3.23Å; E406-K410 PolarHBondContact O-N 3.39Å; E406-K410 IonicContact OE2-NZ 2.63Å; E406-K410 PolarHBondContact OE2-NZ 3.43Å; E407-K410 PolarHBondContact O-N 2.91Å; Q408-K410 VanDerWaalsContact C-N 3.31Å; Q408-K410 PolarHBondContact O-N 3Å; K410-E412 VanDerWaalsContact C-N 3.3Å; K410-E412 PolarHBondContact O-N 3.1Å; K410-G413 PolarHBondContact O-N 3.05Å; K410-G413 VanDerWaalsContact O-N 3.16Å; K410-Y416 WeakPolarHBondContact CE-OH 3.25Å; K410-Y416 HydrophobicContact CG-CE1 4.15Å
411	E	98.3	Very high	98.7	Very high	166 Å²	166	51.1 Å²	51.1	78%	0.776	26%	0.259	S	S	*	.	H	α-helix	trans	-62.7	-36.7	177.5	-72.7	172.4	-172.5	0	0	112.1	E407 Q408 G413	E407-E411 WeakPolarHBondContact O-CG 3.38Å; E407-E411 PolarHBondContact O-N 3.28Å; Q408-E411 PolarHBondContact O-N 3.24Å; E411-G413 VanDerWaalsContact C-N 3.27Å; E411-G413 PolarHBondContact O-N 3.15Å
412	E	98.4	Very high	98.7	Very high	95 Å²	95	51.5 Å²	51.5	44%	0.444	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-5.3	176.8	-69	171.8	-162	0	0	113.4	K404 Q408 K410 I414	K404-E412 IonicContact NZ-OE1 3.73Å; K404-E412 PolarHBondContact NZ-OE1 3.49Å; K404-E412 IonicContact NZ-OE2 2.85Å; K404-E412 PolarHBondContact NZ-OE2 3.39Å; Q408-E412 WeakPolarHBondContact O-CB 3.35Å; Q408-E412 VanDerWaalsContact O-CG 3.26Å; Q408-E412 WeakPolarHBondContact O-CG 3.41Å; Q408-E412 PolarHBondContact O-N 3.1Å; K410-E412 VanDerWaalsContact C-N 3.3Å; K410-E412 PolarHBondContact O-N 3.1Å; E412-I414 VanDerWaalsContact C-N 3.26Å; E412-I414 HydrophobicContact CB-CD1 3.88Å; E412-I414 HydrophobicContact CB-CG1 3.93Å; E412-I414 PolarHBondContact O-N 3.34Å; E412-I414 VanDerWaalsContact OE2-CD1 3.26Å; E412-I414 WeakPolarHBondContact OE2-CD1 3.22Å
413	G	98.4	Very high	98.7	Very high	66 Å²	66	51.5 Å²	51.5	68%	0.68	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	25.1	-178.9	0	0	0	0	0	113.9	L409 K410 E411	L409-G413 PolarHBondContact O-N 3.32Å; K410-G413 PolarHBondContact O-N 3.05Å; K410-G413 VanDerWaalsContact O-N 3.16Å; E411-G413 VanDerWaalsContact C-N 3.27Å; E411-G413 PolarHBondContact O-N 3.15Å
414	I	98.5	Very high	98.7	Very high	51 Å²	51	53.6 Å²	53.6	26%	0.262	28%	0.28	S	S	.	.			trans	-85.2	129.4	-177.7	-64.2	173.8	0	0	0	109.6	L409 E412 Y416 L451	L409-I414 HydrophobicContact CD2-CB 4.3Å; L409-I414 HydrophobicContact CD2-CD1 3.96Å; L409-I414 HydrophobicContact CD2-CG2 4.36Å; L409-I414 PolarHBondContact O-N 2.88Å; E412-I414 VanDerWaalsContact C-N 3.26Å; E412-I414 HydrophobicContact CB-CD1 3.88Å; E412-I414 HydrophobicContact CB-CG1 3.93Å; E412-I414 PolarHBondContact O-N 3.34Å; E412-I414 VanDerWaalsContact OE2-CD1 3.26Å; E412-I414 WeakPolarHBondContact OE2-CD1 3.22Å; I414-Y416 WeakPolarHBondContact O-CD1 3.31Å; I414-Y416 PolarHBondContact O-N 3.03Å; I414-L451 HydrophobicContact CG2-CD1 3.81Å
415	E	98.6	Very high	98.7	Very high	129 Å²	129	53 Å²	53	60%	0.603	28%	0.283	S	S	*	.			trans	-77.1	113.8	171.4	-70.7	-158.9	-142.8	0	0	111.8	K445	E415-K445 HydrophobicContact CB-CB 4.38Å; E415-K445 HydrophobicContact CB-CD 4.07Å; E415-K445 HydrophobicContact CB-CG 4.25Å; E415-K445 PolarHBondContact O-N 3.35Å; E415-K445 WeakPolarHBondContact OE2-CD 3.47Å; E415-K445 IonicContact OE2-NZ 2.8Å; E415-K445 PolarHBondContact OE2-NZ 3.18Å
416	Y	98.8	Very high	98.7	Very high	37 Å²	37	53 Å²	53	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	162.1	178.9	69.4	-83.8	0	0	0	112.4	E406 L409 K410 I414 V418 L442 G443 K445	E406-Y416 HydrophobicContact CG-CE2 3.77Å; E406-Y416 PolarHBondContact OE2-OH 3.14Å; L409-Y416 HydrophobicContact CB-CD1 3.7Å; L409-Y416 HydrophobicContact CB-CE1 3.98Å; L409-Y416 HydrophobicContact CB-CG 4.38Å; L409-Y416 HydrophobicContact CD1-CD1 3.94Å; L409-Y416 HydrophobicContact CD1-CD2 4.26Å; L409-Y416 HydrophobicContact CD1-CG 3.74Å; L409-Y416 HydrophobicContact CG-CD1 4.49Å; K410-Y416 WeakPolarHBondContact CE-OH 3.25Å; K410-Y416 HydrophobicContact CG-CE1 4.15Å; I414-Y416 WeakPolarHBondContact O-CD1 3.31Å; I414-Y416 PolarHBondContact O-N 3.03Å; Y416-V418 HydrophobicContact CD2-CG2 3.69Å; Y416-V418 HydrophobicContact CE2-CG2 3.44Å; Y416-V418 VanDerWaalsContact CE2-CG2 3.44Å; Y416-L442 HydrophobicContact CD2-CD2 4.01Å; Y416-L442 HydrophobicContact CE2-CD2 4.07Å; Y416-G443 CarbonylContact C-O 3.54Å; Y416-G443 WeakPolarHBondContact CA-O 3.45Å; Y416-G443 WeakPolarHBondContact CB-O 3.33Å; Y416-K445 WeakPolarHBondContact O-CE 3.28Å
417	K	98.8	Very high	98.7	Very high	55 Å²	55	54.2 Å²	54.2	24%	0.239	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.7	169.6	57.7	-174.1	-175.5	169.4	0	109.1	L442 G443 K445 D448 A501 S502	K417-L442 WeakPolarHBondContact O-CA 3.41Å; K417-G443 WeakPolarHBondContact CG-O 3.46Å; K417-G443 PolarHBondContact N-O 3.48Å; K417-G443 PolarHBondContact O-N 3.41Å; K417-K445 HydrophobicContact CB-CG 4.29Å; K417-D448 WeakPolarHBondContact CE-OD1 3.11Å; K417-D448 IonicContact NZ-OD1 2.75Å; K417-D448 PolarHBondContact NZ-OD1 3.17Å; K417-A501 WeakPolarHBondContact CD-O 3.3Å; K417-A501 WeakPolarHBondContact CE-O 3.15Å; K417-A501 PolarHBondContact NZ-O 3.49Å; K417-S502 PolarHBondContact NZ-O 2.91Å
418	V	98.9	Very high	98.7	Very high	55 Å²	55	57.1 Å²	57.1	33%	0.333	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	130.1	-170.9	-172.9	0	0	0	0	110.2	Y416 K420 K440 I441 L442	Y416-V418 HydrophobicContact CD2-CG2 3.69Å; Y416-V418 HydrophobicContact CE2-CG2 3.44Å; Y416-V418 VanDerWaalsContact CE2-CG2 3.44Å; V418-K420 HydrophobicContact CG1-CD 4.44Å; V418-K420 HydrophobicContact CG1-CG 4.06Å; V418-K440 HydrophobicContact CG1-CG 4.28Å; V418-I441 WeakPolarHBondContact CA-O 3.39Å; V418-L442 HydrophobicContact CB-CD2 4.42Å; V418-L442 HydrophobicContact CG1-CD2 4.11Å; V418-L442 HydrophobicContact CG2-CD2 3.78Å
419	G	98.8	Very high	98.7	Very high	1 Å²	1	54 Å²	54	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.8	168	0	0	0	0	0	110.6	K440 I441 A497	G419-K440 WeakPolarHBondContact O-CA 3.37Å; G419-I441 PolarHBondContact N-O 3.48Å; G419-I441 PolarHBondContact O-N 3.08Å; G419-A497 WeakPolarHBondContact CA-O 3.48Å
420	K	98.9	Very high	98.7	Very high	72 Å²	72	60.9 Å²	60.9	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.5	-179.3	-64	176.9	-174.1	173.4	0	110.2	E256 V418 M438 V439 K440	E256-K420 IonicContact OE1-NZ 2.62Å; E256-K420 PolarHBondContact OE1-NZ 2.91Å; E256-K420 WeakPolarHBondContact OE2-CE 3.47Å; E256-K420 IonicContact OE2-NZ 2.71Å; E256-K420 PolarHBondContact OE2-NZ 3.23Å; V418-K420 HydrophobicContact CG1-CD 4.44Å; V418-K420 HydrophobicContact CG1-CG 4.06Å; K420-M438 HydrophobicContact CD-CE 4.47Å; K420-M438 HydrophobicContact CD-SD 4.29Å; K420-V439 CarbonylContact C-O 3.54Å; K420-V439 VanDerWaalsContact CA-O 3.29Å; K420-V439 WeakPolarHBondContact CA-O 3.43Å; K420-K440 HydrophobicContact CG-CB 4.37Å; K420-K440 HydrophobicContact CG-CG 4.28Å
421	F	98.9	Very high	98.7	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	119.5	173.4	-167.6	-90.6	0	0	0	110.9	A425 N426 M438 V439 A493 E496 A497 S506 N508 F509	F421-A425 HydrophobicContact CE1-CB 3.91Å; F421-A425 HydrophobicContact CE2-CB 4.26Å; F421-A425 HydrophobicContact CZ-CB 3.6Å; F421-N426 HydrophobicContact CE1-CB 4.14Å; F421-M438 CarbonylContact O-C 3.54Å; F421-M438 VanDerWaalsContact O-CA 3.24Å; F421-M438 WeakPolarHBondContact O-CA 3.41Å; F421-M438 WeakPolarHBondContact O-CB 3.31Å; F421-V439 PolarHBondContact N-O 3.38Å; F421-V439 PolarHBondContact O-N 2.9Å; F421-A493 HydrophobicContact CD1-CB 3.65Å; F421-A493 HydrophobicContact CE1-CB 4.21Å; F421-E496 HydrophobicContact CB-CB 4.17Å; F421-E496 HydrophobicContact CD1-CB 4.24Å; F421-E496 HydrophobicContact CD2-CB 3.25Å; F421-E496 HydrophobicContact CD2-CG 4.02Å; F421-E496 HydrophobicContact CE1-CB 4.47Å; F421-E496 HydrophobicContact CE2-CB 3.52Å; F421-E496 HydrophobicContact CE2-CG 3.74Å; F421-E496 HydrophobicContact CG-CB 3.62Å; F421-E496 HydrophobicContact CZ-CB 4.14Å; F421-E496 HydrophobicContact CZ-CG 4.06Å; F421-A497 HydrophobicContact CB-CB 3.91Å; F421-S506 WeakPolarHBondContact CD2-OG 3.49Å; F421-N508 HydrophobicContact CE2-CB 3.81Å; F421-N508 HydrophobicContact CZ-CB 3.79Å; F421-F509 HydrophobicContact CD2-CB 3.62Å; F421-F509 HydrophobicContact CE2-CB 3.54Å; F421-F509 HydrophobicContact CZ-CB 4.41Å
422	P	98.8	Very high	98.7	Very high	28 Å²	28	55.4 Å²	55.4	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.5	-179.5	31.2	-34.1	0	0	0	111.6	A424 A425 F509	P422-A424 PolarHBondContact O-N 3.41Å; P422-A424 VanDerWaalsContact O-N 3.15Å; P422-A425 HydrophobicContact CG-CB 4.17Å; P422-A425 PolarHBondContact O-N 3Å; P422-F509 VanDerWaalsContact CD-CG 3.5Å; P422-F509 HydrophobicContact CG-CB 4.42Å; P422-F509 HydrophobicContact CG-CD1 3.67Å; P422-F509 HydrophobicContact CG-CD2 3.99Å; P422-F509 HydrophobicContact CG-CE1 3.8Å; P422-F509 HydrophobicContact CG-CE2 4.14Å; P422-F509 HydrophobicContact CG-CG 3.75Å; P422-F509 HydrophobicContact CG-CZ 4.04Å
423	F	98.9	Very high	98.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19.8	175.7	-79.7	-72.2	0	0	0	113	A425 N426 A429 G437 V439 I455 L456 P458 M463 L490 A493	F423-A425 PolarHBondContact O-N 2.79Å; F423-N426 HydrophobicContact CD1-CB 4.26Å; F423-N426 PolarHBondContact O-N 3.14Å; F423-A429 HydrophobicContact CB-CB 4.13Å; F423-A429 HydrophobicContact CD1-CB 4.17Å; F423-A429 VanDerWaalsContact O-CB 3.26Å; F423-A429 WeakPolarHBondContact O-CB 3.31Å; F423-G437 PolarHBondContact N-O 3.35Å; F423-V439 HydrophobicContact CE2-CG2 4.03Å; F423-V439 HydrophobicContact CZ-CG2 3.75Å; F423-I455 HydrophobicContact CE2-CG2 4Å; F423-I455 HydrophobicContact CZ-CG2 4.01Å; F423-L456 WeakPolarHBondContact CD2-O 3.33Å; F423-L456 WeakPolarHBondContact CE2-O 3.39Å; F423-P458 HydrophobicContact CD1-CG 3.85Å; F423-P458 HydrophobicContact CE1-CG 4.1Å; F423-P458 HydrophobicContact CG-CG 4.08Å; F423-M463 HydrophobicContact CE1-CE 4.01Å; F423-M463 HydrophobicContact CZ-CE 3.9Å; F423-M463 HydrophobicContact CZ-SD 4.35Å; F423-L490 HydrophobicContact CE1-CB 4.36Å; F423-L490 HydrophobicContact CE1-CD2 4.49Å; F423-A493 HydrophobicContact CD1-CB 4.1Å; F423-A493 HydrophobicContact CE1-CB 3.73Å; F423-A493 HydrophobicContact CZ-CB 4.27Å
424	A	98.6	Very high	98.7	Very high	58 Å²	58	52.3 Å²	52.3	48%	0.479	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.7	170.4	0	0	0	0	0	114.3	P422 T435	P422-A424 PolarHBondContact O-N 3.41Å; P422-A424 VanDerWaalsContact O-N 3.15Å; A424-T435 PolarHBondContact N-O 3.38Å
425	A	98.7	Very high	98.7	Very high	32 Å²	32	52.1 Å²	52.1	26%	0.264	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-98.6	-2.4	176.1	0	0	0	0	0	113.3	F421 P422 F423 F509	F421-A425 HydrophobicContact CE1-CB 3.91Å; F421-A425 HydrophobicContact CE2-CB 4.26Å; F421-A425 HydrophobicContact CZ-CB 3.6Å; P422-A425 HydrophobicContact CG-CB 4.17Å; P422-A425 PolarHBondContact O-N 3Å; F423-A425 PolarHBondContact O-N 2.79Å; A425-F509 HydrophobicContact CB-CB 4.35Å
426	N	98.9	Very high	98.7	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	28%	0.275	C	S	.	.			trans	-85.6	128.6	177.6	175.9	-89.4	0	0	0	110.9	F421 F423 R428 A429 K430 T489 A493	F421-N426 HydrophobicContact CE1-CB 4.14Å; F423-N426 HydrophobicContact CD1-CB 4.26Å; F423-N426 PolarHBondContact O-N 3.14Å; N426-R428 PolarHBondContact O-N 3.07Å; N426-R428 PolarHBondContact OD1-N 3.34Å; N426-A429 HydrophobicContact CB-CB 3.9Å; N426-A429 PolarHBondContact O-N 3.2Å; N426-A429 PolarHBondContact OD1-N 3.34Å; N426-K430 VanDerWaalsContact O-CB 3.31Å; N426-K430 WeakPolarHBondContact O-CB 3.48Å; N426-K430 PolarHBondContact O-N 3.38Å; N426-T489 PolarHBondContact ND2-O 2.87Å; N426-A493 HydrophobicContact CB-CB 4.44Å
427	S	98.6	Very high	98.7	Very high	52 Å²	52	48.6 Å²	48.6	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-38.2	-175.5	-64.4	0	0	0	0	113.8	T431	S427-T431 WeakPolarHBondContact O-CB 3.41Å; S427-T431 PolarHBondContact O-N 2.82Å; S427-T431 PolarHBondContact O-OG1 3.48Å
428	R	98.8	Very high	98.7	Very high	110 Å²	110	46.9 Å²	46.9	42%	0.415	27%	0.272	S	S	.	.	H	α-helix	trans	-73.4	-45.3	179.2	-173.3	167	-177	171.1	-5.4	112	N426 K430 T431 N432 P488 L490	N426-R428 PolarHBondContact O-N 3.07Å; N426-R428 PolarHBondContact OD1-N 3.34Å; R428-K430 VanDerWaalsContact C-N 3.25Å; R428-K430 PolarHBondContact O-N 3.14Å; R428-T431 WeakPolarHBondContact O-CB 3.45Å; R428-T431 PolarHBondContact O-N 2.98Å; R428-N432 WeakPolarHBondContact O-CB 3.29Å; R428-N432 PolarHBondContact O-N 3.21Å; R428-P488 HydrophobicContact CB-CB 4.17Å; R428-P488 WeakPolarHBondContact CD-O 3.45Å; R428-L490 HydrophobicContact CB-CD2 4.15Å; R428-L490 HydrophobicContact CG-CD2 4.23Å; R428-L490 HydrophobicContact CG-CG 4.39Å
429	A	98.8	Very high	98.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-54.5	-45.4	172.7	0	0	0	0	0	110.8	F423 N426 N432 A433 D434 T435 P458 L490	F423-A429 HydrophobicContact CB-CB 4.13Å; F423-A429 HydrophobicContact CD1-CB 4.17Å; F423-A429 VanDerWaalsContact O-CB 3.26Å; F423-A429 WeakPolarHBondContact O-CB 3.31Å; N426-A429 HydrophobicContact CB-CB 3.9Å; N426-A429 PolarHBondContact O-N 3.2Å; N426-A429 PolarHBondContact OD1-N 3.34Å; A429-N432 PolarHBondContact O-N 3.46Å; A429-A433 PolarHBondContact O-N 3.4Å; A429-A433 VanDerWaalsContact O-N 3.08Å; A429-D434 CarbonylContact C-O 3.49Å; A429-D434 WeakPolarHBondContact CA-O 3.42Å; A429-D434 VanDerWaalsContact CB-O 3.22Å; A429-D434 WeakPolarHBondContact CB-O 3.22Å; A429-D434 PolarHBondContact O-N 2.99Å; A429-T435 HydrophobicContact CB-CG2 4.42Å; A429-P458 HydrophobicContact CB-CG 4.4Å; A429-L490 HydrophobicContact CB-CD2 3.9Å
430	K	98.6	Very high	98.7	Very high	143 Å²	143	44.3 Å²	44.3	62%	0.622	26%	0.256	S	S	*	.	H	α-helix	trans	-63.1	-44.5	176	-168.8	66	175.4	-176.9	0	112.8	N426 R428 N432 A433 T435	N426-K430 VanDerWaalsContact O-CB 3.31Å; N426-K430 WeakPolarHBondContact O-CB 3.48Å; N426-K430 PolarHBondContact O-N 3.38Å; R428-K430 VanDerWaalsContact C-N 3.25Å; R428-K430 PolarHBondContact O-N 3.14Å; K430-N432 VanDerWaalsContact C-N 3.27Å; K430-N432 PolarHBondContact O-N 3.27Å; K430-A433 PolarHBondContact O-N 3.38Å; K430-A433 VanDerWaalsContact O-N 3.14Å; K430-T435 HydrophobicContact CD-CG2 4.23Å
431	T	98.7	Very high	98.7	Very high	105 Å²	105	40.9 Å²	40.9	64%	0.644	24%	0.241	S	C	*	.	H	α-helix	trans	-61	-38.7	176.4	-59.5	0	0	0	0	111.5	S427 R428 A433	S427-T431 WeakPolarHBondContact O-CB 3.41Å; S427-T431 PolarHBondContact O-N 2.82Å; S427-T431 PolarHBondContact O-OG1 3.48Å; R428-T431 WeakPolarHBondContact O-CB 3.45Å; R428-T431 PolarHBondContact O-N 2.98Å; T431-A433 VanDerWaalsContact C-N 3.26Å; T431-A433 PolarHBondContact O-N 3.15Å
432	N	98.6	Very high	98.7	Very high	67 Å²	67	40.7 Å²	40.7	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-78.7	-8.5	179.1	-70.7	-1.5	0	0	0	113.5	R109 R428 A429 K430 D434	R109-N432 VanDerWaalsContact CZ-O 3.27Å; R109-N432 PolarHBondContact NH1-O 3.35Å; R109-N432 PolarHBondContact NH2-O 3.48Å; R428-N432 WeakPolarHBondContact O-CB 3.29Å; R428-N432 PolarHBondContact O-N 3.21Å; A429-N432 PolarHBondContact O-N 3.46Å; K430-N432 VanDerWaalsContact C-N 3.27Å; K430-N432 PolarHBondContact O-N 3.27Å; N432-D434 HydrophobicContact CB-CB 4.34Å; N432-D434 PolarHBondContact O-N 3.47Å
433	A	98.6	Very high	98.7	Very high	63 Å²	63	39.4 Å²	39.4	52%	0.521	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	32.2	-169.2	0	0	0	0	0	113.5	A429 K430 T431	A429-A433 PolarHBondContact O-N 3.4Å; A429-A433 VanDerWaalsContact O-N 3.08Å; K430-A433 PolarHBondContact O-N 3.38Å; K430-A433 VanDerWaalsContact O-N 3.14Å; T431-A433 VanDerWaalsContact C-N 3.26Å; T431-A433 PolarHBondContact O-N 3.15Å
434	D	98.5	Very high	98.7	Very high	33 Å²	33	42.1 Å²	42.1	18%	0.176	24%	0.244	C	C	.	.			trans	-125.7	93.4	178.1	-178.2	3.4	0	0	0	108	H396 A429 N432 P458	H396-D434 IonicContact CE1-OD2 3.81Å; H396-D434 PolarHBondContact CE1-OD2 2.94Å; H396-D434 IonicContact NE2-OD1 2.67Å; H396-D434 IonicContact NE2-OD2 3.96Å; A429-D434 CarbonylContact C-O 3.49Å; A429-D434 WeakPolarHBondContact CA-O 3.42Å; A429-D434 VanDerWaalsContact CB-O 3.22Å; A429-D434 WeakPolarHBondContact CB-O 3.22Å; A429-D434 PolarHBondContact O-N 2.99Å; N432-D434 HydrophobicContact CB-CB 4.34Å; N432-D434 PolarHBondContact O-N 3.47Å; D434-P458 WeakPolarHBondContact OD2-CB 3.21Å
435	T	98.7	Very high	98.7	Very high	48 Å²	48	44.7 Å²	44.7	29%	0.294	25%	0.245	S	C	.	.			trans	-126.3	7.8	-160.3	51.5	0	0	0	0	114	A424 A429 K430	A424-T435 PolarHBondContact N-O 3.38Å; A429-T435 HydrophobicContact CB-CG2 4.42Å; K430-T435 HydrophobicContact CD-CG2 4.23Å
436	D	98.6	Very high	98.7	Very high	69 Å²	69	48 Å²	48	37%	0.369	27%	0.266	S	S	.	.			trans	-71.4	138.6	-179.4	-89.8	-31	0	0	0	111.4	I264 P397 G457	I264-D436 HydrophobicContact CD1-CB 4.06Å; P397-D436 HydrophobicContact CG-CB 4.24Å; D436-G457 VanDerWaalsContact O-CA 3.3Å; D436-G457 WeakPolarHBondContact O-CA 3.5Å
437	G	98.7	Very high	98.7	Very high	22 Å²	22	51.6 Å²	51.6	23%	0.227	29%	0.288	C	S	.	.			trans	91.2	-162.2	169.3	0	0	0	0	0	116.1	F423 L456	F423-G437 PolarHBondContact N-O 3.35Å; G437-L456 CarbonylContact C-O 3.59Å; G437-L456 VanDerWaalsContact C-O 3.3Å; G437-L456 WeakPolarHBondContact CA-O 3.37Å
438	M	98.9	Very high	98.7	Very high	20 Å²	20	50 Å²	50	10%	0.099	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	161.4	-173.4	67.3	-174.9	-171.6	0	0	112	E256 I257 K420 F421 K440 L456	E256-M438 HydrophobicContact CG-CE 3.93Å; I257-M438 HydrophobicContact CD1-CE 3.64Å; I257-M438 HydrophobicContact CD1-CG 4.23Å; I257-M438 HydrophobicContact CG1-CE 4.4Å; K420-M438 HydrophobicContact CD-CE 4.47Å; K420-M438 HydrophobicContact CD-SD 4.29Å; F421-M438 CarbonylContact O-C 3.54Å; F421-M438 VanDerWaalsContact O-CA 3.24Å; F421-M438 WeakPolarHBondContact O-CA 3.41Å; F421-M438 WeakPolarHBondContact O-CB 3.31Å; M438-K440 HydrophobicContact CE-CB 4.32Å; M438-K440 HydrophobicContact CE-CD 4.25Å; M438-L456 PolarHBondContact N-O 3.1Å; M438-L456 PolarHBondContact O-N 2.83Å
439	V	98.9	Very high	98.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138.4	159.2	-176.4	0	0	0	0	109.2	K420 F421 F423 I441 I455 M463 A493 F494 A497	K420-V439 CarbonylContact C-O 3.54Å; K420-V439 VanDerWaalsContact CA-O 3.29Å; K420-V439 WeakPolarHBondContact CA-O 3.43Å; F421-V439 PolarHBondContact N-O 3.38Å; F421-V439 PolarHBondContact O-N 2.9Å; F423-V439 HydrophobicContact CE2-CG2 4.03Å; F423-V439 HydrophobicContact CZ-CG2 3.75Å; V439-I441 HydrophobicContact CG1-CD1 4.12Å; V439-I441 HydrophobicContact CG1-CG1 4.34Å; V439-I455 HydrophobicContact CG1-CG1 4.11Å; V439-I455 HydrophobicContact CG2-CG1 4.3Å; V439-I455 HydrophobicContact CG2-CG2 4.15Å; V439-M463 HydrophobicContact CG2-SD 3.93Å; V439-A493 HydrophobicContact CG2-CB 3.78Å; V439-F494 HydrophobicContact CG1-CD2 4.07Å; V439-A497 HydrophobicContact CB-CB 3.94Å; V439-A497 HydrophobicContact CG1-CB 3.79Å
440	K	98.9	Very high	98.7	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.9	177.7	173.6	-180	176.4	171.4	0	110	D254 E256 I257 E406 V418 G419 K420 M438 H454	D254-K440 IonicContact OD1-NZ 3.05Å; D254-K440 PolarHBondContact OD1-NZ 2.78Å; D254-K440 WeakPolarHBondContact OD2-CE 3.36Å; D254-K440 IonicContact OD2-NZ 3.89Å; D254-K440 PolarHBondContact OD2-NZ 2.92Å; E256-K440 IonicContact OE2-NZ 3.82Å; E256-K440 PolarHBondContact OE2-NZ 3.34Å; I257-K440 HydrophobicContact CD1-CB 4.37Å; I257-K440 HydrophobicContact CG1-CD 4.34Å; E406-K440 WeakPolarHBondContact OE1-CE 3.43Å; E406-K440 IonicContact OE1-NZ 2.82Å; E406-K440 PolarHBondContact OE1-NZ 3.1Å; V418-K440 HydrophobicContact CG1-CG 4.28Å; G419-K440 WeakPolarHBondContact O-CA 3.37Å; K420-K440 HydrophobicContact CG-CB 4.37Å; K420-K440 HydrophobicContact CG-CG 4.28Å; M438-K440 HydrophobicContact CE-CB 4.32Å; M438-K440 HydrophobicContact CE-CD 4.25Å; K440-H454 HydrophobicContact CB-CB 4.35Å; K440-H454 PolarHBondContact N-O 3.03Å; K440-H454 PolarHBondContact O-N 3.46Å
441	I	98.9	Very high	98.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.1	-178.8	-58.3	-61.2	0	0	0	109.6	V418 G419 V439 V450 A453 F494 A497 N498 A501	V418-I441 WeakPolarHBondContact CA-O 3.39Å; G419-I441 PolarHBondContact N-O 3.48Å; G419-I441 PolarHBondContact O-N 3.08Å; V439-I441 HydrophobicContact CG1-CD1 4.12Å; V439-I441 HydrophobicContact CG1-CG1 4.34Å; I441-V450 HydrophobicContact CG2-CG1 4.47Å; I441-A453 HydrophobicContact CD1-CB 3.7Å; I441-F494 HydrophobicContact CD1-CD2 3.83Å; I441-F494 HydrophobicContact CD1-CE2 3.52Å; I441-A497 HydrophobicContact CG1-CB 3.75Å; I441-N498 WeakPolarHBondContact CG2-OD1 3.5Å; I441-A501 HydrophobicContact CB-CB 4.41Å; I441-A501 HydrophobicContact CG2-CB 4.18Å
442	L	98.9	Very high	98.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.5	172.5	-51.3	179.8	0	0	0	108.1	K404 E406 L409 Y416 K417 V418 L451 G452	K404-L442 WeakPolarHBondContact O-CD1 3.4Å; E406-L442 HydrophobicContact CB-CD1 4.44Å; E406-L442 HydrophobicContact CG-CD1 3.82Å; E406-L442 HydrophobicContact CG-CD2 3.52Å; E406-L442 HydrophobicContact CG-CG 4.35Å; L409-L442 HydrophobicContact CD1-CB 3.87Å; L409-L442 HydrophobicContact CD1-CD1 3.71Å; L409-L442 HydrophobicContact CD1-CG 4.37Å; Y416-L442 HydrophobicContact CD2-CD2 4.01Å; Y416-L442 HydrophobicContact CE2-CD2 4.07Å; K417-L442 WeakPolarHBondContact O-CA 3.41Å; V418-L442 HydrophobicContact CB-CD2 4.42Å; V418-L442 HydrophobicContact CG1-CD2 4.11Å; V418-L442 HydrophobicContact CG2-CD2 3.78Å; L442-L451 PolarHBondContact O-N 2.92Å; L442-G452 PolarHBondContact N-O 3.29Å; L442-G452 PolarHBondContact O-N 2.91Å
443	G	98.8	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.7	176.4	0	0	0	0	0	111.2	Y416 K417 R449	Y416-G443 CarbonylContact C-O 3.54Å; Y416-G443 WeakPolarHBondContact CA-O 3.45Å; Y416-G443 WeakPolarHBondContact CB-O 3.33Å; K417-G443 WeakPolarHBondContact CG-O 3.46Å; K417-G443 PolarHBondContact N-O 3.48Å; K417-G443 PolarHBondContact O-N 3.41Å; G443-R449 CarbonylContact C-O 3.58Å; G443-R449 WeakPolarHBondContact CA-O 3.46Å
444	Q	98.8	Very high	98.7	Very high	58 Å²	58	34 Å²	34	27%	0.271	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.8	173.1	-170.1	172.5	19.8	0	0	109.8	S446 T447 D448 R449 L451	Q444-S446 VanDerWaalsContact C-N 3.35Å; Q444-S446 PolarHBondContact O-N 2.88Å; Q444-T447 WeakPolarHBondContact CB-OG1 3.3Å; Q444-T447 PolarHBondContact OE1-OG1 3.34Å; Q444-D448 VanDerWaalsContact O-CA 3.32Å; Q444-D448 WeakPolarHBondContact O-CA 3.34Å; Q444-D448 PolarHBondContact O-N 2.91Å; Q444-R449 HydrophobicContact CB-CB 4.38Å; Q444-R449 PolarHBondContact N-O 2.71Å; Q444-L451 HydrophobicContact CB-CD1 3.82Å; Q444-L451 HydrophobicContact CB-CD2 4.15Å; Q444-L451 HydrophobicContact CB-CG 4.03Å; Q444-L451 HydrophobicContact CG-CD1 4.42Å
445	K	98.3	Very high	98.8	Very high	112 Å²	112	32.5 Å²	32.5	49%	0.487	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-39.6	-173	-74.8	-165.4	-161.3	158.5	0	114.1	E415 Y416 K417	E415-K445 HydrophobicContact CB-CB 4.38Å; E415-K445 HydrophobicContact CB-CD 4.07Å; E415-K445 HydrophobicContact CB-CG 4.25Å; E415-K445 PolarHBondContact O-N 3.35Å; E415-K445 WeakPolarHBondContact OE2-CD 3.47Å; E415-K445 IonicContact OE2-NZ 2.8Å; E415-K445 PolarHBondContact OE2-NZ 3.18Å; Y416-K445 WeakPolarHBondContact O-CE 3.28Å; K417-K445 HydrophobicContact CB-CG 4.29Å
446	S	97.9	Very high	98.8	Very high	101 Å²	101	30.2 Å²	30.2	71%	0.706	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-28	-171.8	50.2	0	0	0	0	114.3	Q444	Q444-S446 VanDerWaalsContact C-N 3.35Å; Q444-S446 PolarHBondContact O-N 2.88Å
447	T	98.6	Very high	98.8	Very high	79 Å²	79	26.9 Å²	26.9	49%	0.485	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-8.3	-171.6	59.6	0	0	0	0	113.4	Q444 R449	Q444-T447 WeakPolarHBondContact CB-OG1 3.3Å; Q444-T447 PolarHBondContact OE1-OG1 3.34Å; T447-R449 PolarHBondContact O-N 2.93Å; T447-R449 VanDerWaalsContact O-N 3.09Å; T447-R449 WeakPolarHBondContact OG1-CB 3.48Å; T447-R449 PolarHBondContact OG1-N 2.81Å
448	D	98.7	Very high	98.8	Very high	19 Å²	19	26.2 Å²	26.2	10%	0.102	13%	0.134	C	C	.	.			trans	60.9	7	-171.2	-156.6	42.1	0	0	0	114.9	K417 Q444 V450 S476 C477 E478 S502	K417-D448 WeakPolarHBondContact CE-OD1 3.11Å; K417-D448 IonicContact NZ-OD1 2.75Å; K417-D448 PolarHBondContact NZ-OD1 3.17Å; Q444-D448 VanDerWaalsContact O-CA 3.32Å; Q444-D448 WeakPolarHBondContact O-CA 3.34Å; Q444-D448 PolarHBondContact O-N 2.91Å; D448-V450 PolarHBondContact O-N 2.61Å; D448-S476 CarbonylContact O-C 3.53Å; D448-S476 WeakPolarHBondContact O-CA 3.47Å; D448-S476 WeakPolarHBondContact O-CB 3.3Å; D448-C477 PolarHBondContact O-N 2.88Å; D448-E478 WeakPolarHBondContact OD2-CB 3.21Å; D448-E478 PolarHBondContact OD2-N 3.27Å; D448-S502 WeakPolarHBondContact OD2-CB 3.34Å; D448-S502 PolarHBondContact OD2-OG 3.43Å
449	R	98.7	Very high	98.7	Very high	123 Å²	123	26.5 Å²	26.5	46%	0.464	14%	0.143	S	C	.	.	B	Isolated β-bridge	trans	-61.9	133.6	-179.4	-166.8	-178.9	-177	-172.7	-0	111.1	G443 Q444 T447 L451	G443-R449 CarbonylContact C-O 3.58Å; G443-R449 WeakPolarHBondContact CA-O 3.46Å; Q444-R449 HydrophobicContact CB-CB 4.38Å; Q444-R449 PolarHBondContact N-O 2.71Å; T447-R449 PolarHBondContact O-N 2.93Å; T447-R449 VanDerWaalsContact O-N 3.09Å; T447-R449 WeakPolarHBondContact OG1-CB 3.48Å; T447-R449 PolarHBondContact OG1-N 2.81Å; R449-L451 PolarHBondContact O-N 2.99Å
450	V	98.9	Very high	98.7	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.024	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.5	172.1	-177.8	0	0	0	0	109.2	I441 D448 L471 A475 I480	I441-V450 HydrophobicContact CG2-CG1 4.47Å; D448-V450 PolarHBondContact O-N 2.61Å; V450-L471 HydrophobicContact CB-CD2 4.3Å; V450-L471 HydrophobicContact CG1-CD2 4.05Å; V450-L471 HydrophobicContact CG1-CG 4.42Å; V450-L471 WeakPolarHBondContact O-CD2 3.48Å; V450-A475 PolarHBondContact N-O 3.37Å; V450-I480 HydrophobicContact CG2-CD1 3.71Å
451	L	98.9	Very high	98.7	Very high	25 Å²	25	26.8 Å²	26.8	13%	0.131	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-26	179	-60.9	179.2	0	0	0	112.3	K404 L409 I414 L442 Q444 R449	K404-L451 PolarHBondContact N-O 3.46Å; L409-L451 HydrophobicContact CD1-CB 4.07Å; L409-L451 HydrophobicContact CD1-CD1 3.9Å; L409-L451 HydrophobicContact CD2-CB 4.25Å; L409-L451 HydrophobicContact CD2-CD1 3.96Å; I414-L451 HydrophobicContact CG2-CD1 3.81Å; L442-L451 PolarHBondContact O-N 2.92Å; Q444-L451 HydrophobicContact CB-CD1 3.82Å; Q444-L451 HydrophobicContact CB-CD2 4.15Å; Q444-L451 HydrophobicContact CB-CG 4.03Å; Q444-L451 HydrophobicContact CG-CD1 4.42Å; R449-L451 PolarHBondContact O-N 2.99Å
452	G	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	147.4	176.5	0	0	0	0	0	112.3	V402 L442	V402-G452 WeakPolarHBondContact O-CA 3.25Å; L442-G452 PolarHBondContact N-O 3.29Å; L442-G452 PolarHBondContact O-N 2.91Å
453	A	98.9	Very high	98.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.6	177.5	0	0	0	0	0	109.4	W401 V402 I441 A467 F494	W401-A453 WeakPolarHBondContact CA-O 3.27Å; W401-A453 WeakPolarHBondContact CB-O 3.25Å; V402-A453 HydrophobicContact CG1-CB 4.31Å; V402-A453 PolarHBondContact N-O 2.81Å; V402-A453 PolarHBondContact O-N 2.92Å; I441-A453 HydrophobicContact CD1-CB 3.7Å; A453-A467 HydrophobicContact CB-CB 3.63Å; A453-F494 HydrophobicContact CB-CE2 4.12Å
454	H	98.9	Very high	98.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.4	-174.1	-51.7	-94.3	0	0	0	109.7	D254 I257 W401 K404 K440	D254-H454 HydrophobicContact CB-CB 4.49Å; I257-H454 HydrophobicContact CD1-CB 4.29Å; I257-H454 HydrophobicContact CG1-CB 3.84Å; W401-H454 HydrophobicContact CB-CB 4.29Å; W401-H454 WeakPolarHBondContact CB-ND1 3.22Å; W401-H454 AromaticContact CG-ND1 3.96Å; K404-H454 PolarHBondContact O-CE1 2.93Å; K404-H454 PolarHBondContact O-NE2 2.97Å; K440-H454 HydrophobicContact CB-CB 4.35Å; K440-H454 PolarHBondContact N-O 3.03Å; K440-H454 PolarHBondContact O-N 3.46Å
455	I	98.9	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124	-171.7	-54.4	148.6	0	0	0	107.9	V399 A400 F423 V439 A460 M463 V464	V399-I455 CarbonylContact C-O 3.58Å; V399-I455 WeakPolarHBondContact CA-O 3.37Å; A400-I455 PolarHBondContact N-O 3.36Å; A400-I455 PolarHBondContact O-N 3.05Å; F423-I455 HydrophobicContact CE2-CG2 4Å; F423-I455 HydrophobicContact CZ-CG2 4.01Å; V439-I455 HydrophobicContact CG1-CG1 4.11Å; V439-I455 HydrophobicContact CG2-CG1 4.3Å; V439-I455 HydrophobicContact CG2-CG2 4.15Å; I455-A460 HydrophobicContact CB-CB 3.96Å; I455-A460 HydrophobicContact CG2-CB 3.54Å; I455-M463 HydrophobicContact CD1-CB 4.01Å; I455-M463 HydrophobicContact CD1-CG 3.88Å; I455-M463 HydrophobicContact CD1-SD 4.1Å; I455-M463 HydrophobicContact CG1-SD 4.3Å; I455-M463 HydrophobicContact CG2-SD 4.14Å; I455-V464 HydrophobicContact CD1-CB 4.15Å
456	L	98.9	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.4	168.4	164.7	64.8	0	0	0	106.3	I257 N260 F261 I264 P397 E398 V399 F423 G437 M438	I257-L456 HydrophobicContact CD1-CB 4.04Å; I257-L456 HydrophobicContact CG2-CB 4.14Å; N260-L456 HydrophobicContact CB-CD2 3.65Å; F261-L456 HydrophobicContact CB-CD1 3.99Å; F261-L456 HydrophobicContact CB-CD2 4.29Å; F261-L456 HydrophobicContact CD2-CD1 3.91Å; F261-L456 HydrophobicContact CG-CD1 4.33Å; I264-L456 HydrophobicContact CD1-CD1 4.33Å; I264-L456 HydrophobicContact CD1-CD2 3.98Å; I264-L456 HydrophobicContact CD1-CG 4.32Å; P397-L456 HydrophobicContact CB-CD1 4.26Å; P397-L456 HydrophobicContact CG-CD1 3.8Å; E398-L456 WeakPolarHBondContact O-CA 3.38Å; V399-L456 HydrophobicContact CG2-CD1 3.78Å; F423-L456 WeakPolarHBondContact CD2-O 3.33Å; F423-L456 WeakPolarHBondContact CE2-O 3.39Å; G437-L456 CarbonylContact C-O 3.59Å; G437-L456 VanDerWaalsContact C-O 3.3Å; G437-L456 WeakPolarHBondContact CA-O 3.37Å; M438-L456 PolarHBondContact N-O 3.1Å; M438-L456 PolarHBondContact O-N 2.83Å
457	G	98.8	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.5	-166.4	-179.2	0	0	0	0	0	114.7	E398 D436 G459	E398-G457 PolarHBondContact N-O 2.92Å; E398-G457 PolarHBondContact O-N 2.67Å; D436-G457 VanDerWaalsContact O-CA 3.3Å; D436-G457 WeakPolarHBondContact O-CA 3.5Å; G457-G459 PolarHBondContact O-N 3.31Å
458	P	98.5	Very high	98.8	Very high	7 Å²	7	25.5 Å²	25.5	5%	0.045	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	131.9	179.6	25.9	-36.1	0	0	0	111.9	F423 A429 D434 A460 L490	F423-P458 HydrophobicContact CD1-CG 3.85Å; F423-P458 HydrophobicContact CE1-CG 4.1Å; F423-P458 HydrophobicContact CG-CG 4.08Å; A429-P458 HydrophobicContact CB-CG 4.4Å; D434-P458 WeakPolarHBondContact OD2-CB 3.21Å; P458-A460 VanDerWaalsContact C-N 3.27Å; P458-A460 PolarHBondContact O-N 3.47Å; P458-L490 HydrophobicContact CB-CD1 3.85Å; P458-L490 HydrophobicContact CB-CD2 4.22Å; P458-L490 HydrophobicContact CG-CD1 4.22Å; P458-L490 HydrophobicContact CG-CD2 3.78Å; P458-L490 WeakPolarHBondContact O-CD1 3.3Å
459	G	98.2	Very high	98.8	Very high	27 Å²	27	29.7 Å²	29.7	28%	0.278	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	25.4	173	0	0	0	0	0	114.9	G457 G461 E462 M463	G457-G459 PolarHBondContact O-N 3.31Å; G459-G461 VanDerWaalsContact C-N 3.26Å; G459-G461 PolarHBondContact O-N 3.26Å; G459-E462 PolarHBondContact O-N 2.92Å; G459-M463 WeakPolarHBondContact O-CB 3.2Å; G459-M463 PolarHBondContact O-N 3.35Å
460	A	98.8	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-39.2	179.9	0	0	0	0	0	112	E398 A400 I455 P458 E462 M463 V464	E398-A460 HydrophobicContact CB-CB 3.73Å; E398-A460 PolarHBondContact OE2-N 3.04Å; E398-A460 VanDerWaalsContact OE2-N 3.12Å; A400-A460 VanDerWaalsContact CB-C 3.5Å; A400-A460 HydrophobicContact CB-CB 3.8Å; A400-A460 WeakPolarHBondContact CB-O 3.44Å; I455-A460 HydrophobicContact CB-CB 3.96Å; I455-A460 HydrophobicContact CG2-CB 3.54Å; P458-A460 VanDerWaalsContact C-N 3.27Å; P458-A460 PolarHBondContact O-N 3.47Å; A460-E462 PolarHBondContact O-N 2.85Å; A460-M463 PolarHBondContact O-N 3.02Å; A460-V464 PolarHBondContact O-N 2.91Å
461	G	98.6	Very high	98.8	Very high	6 Å²	6	24.8 Å²	24.8	6%	0.062	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-27.1	-180	0	0	0	0	0	114	E398 G459 V464 N465	E398-G461 PolarHBondContact OE2-N 3.33Å; G459-G461 VanDerWaalsContact C-N 3.26Å; G459-G461 PolarHBondContact O-N 3.26Å; G461-V464 WeakPolarHBondContact O-CG1 3.23Å; G461-N465 PolarHBondContact O-ND2 3.35Å
462	E	98.8	Very high	98.8	Very high	152 Å²	152	28.9 Å²	28.9	71%	0.71	16%	0.155	S	C	*	.	H	α-helix	trans	-85	-45.5	173.7	-64.8	-58.5	143.5	0	0	111.1	G459 A460 V464 N465	G459-E462 PolarHBondContact O-N 2.92Å; A460-E462 PolarHBondContact O-N 2.85Å; E462-V464 VanDerWaalsContact C-N 3.31Å; E462-V464 PolarHBondContact O-N 3.41Å; E462-N465 WeakPolarHBondContact O-CB 3.5Å; E462-N465 PolarHBondContact O-N 2.9Å; E462-N465 PolarHBondContact O-ND2 3.09Å
463	M	98.8	Very high	98.8	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.059	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-31.8	-175.2	-172.8	-177.8	-55.6	0	0	113.1	F423 V439 I455 G459 A460 N465 E466 L490 F494	F423-M463 HydrophobicContact CE1-CE 4.01Å; F423-M463 HydrophobicContact CZ-CE 3.9Å; F423-M463 HydrophobicContact CZ-SD 4.35Å; V439-M463 HydrophobicContact CG2-SD 3.93Å; I455-M463 HydrophobicContact CD1-CB 4.01Å; I455-M463 HydrophobicContact CD1-CG 3.88Å; I455-M463 HydrophobicContact CD1-SD 4.1Å; I455-M463 HydrophobicContact CG1-SD 4.3Å; I455-M463 HydrophobicContact CG2-SD 4.14Å; G459-M463 WeakPolarHBondContact O-CB 3.2Å; G459-M463 PolarHBondContact O-N 3.35Å; A460-M463 PolarHBondContact O-N 3.02Å; M463-N465 PolarHBondContact O-N 2.75Å; M463-E466 WeakPolarHBondContact O-CB 3.44Å; M463-E466 PolarHBondContact O-N 3.43Å; M463-L490 VanDerWaalsContact CE-C 3.42Å; M463-L490 HydrophobicContact CE-CB 3.67Å; M463-L490 VanDerWaalsContact CE-O 3.28Å; M463-L490 WeakPolarHBondContact CE-O 3.4Å; M463-F494 HydrophobicContact CG-CB 4.21Å; M463-F494 HydrophobicContact SD-CB 3.84Å
464	V	98.8	Very high	98.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-23.5	178	74.3	0	0	0	0	113	P390 V392 A400 V402 I455 A460 G461 E462 E466 A467 A468	P390-V464 HydrophobicContact CB-CG1 3.99Å; P390-V464 HydrophobicContact CB-CG2 3.87Å; V392-V464 HydrophobicContact CG2-CG1 4.05Å; A400-V464 HydrophobicContact CB-CB 3.66Å; A400-V464 HydrophobicContact CB-CG1 3.86Å; A400-V464 HydrophobicContact CB-CG2 4.07Å; V402-V464 HydrophobicContact CB-CG2 4.02Å; V402-V464 HydrophobicContact CG1-CG2 3.84Å; I455-V464 HydrophobicContact CD1-CB 4.15Å; A460-V464 PolarHBondContact O-N 2.91Å; G461-V464 WeakPolarHBondContact O-CG1 3.23Å; E462-V464 VanDerWaalsContact C-N 3.31Å; E462-V464 PolarHBondContact O-N 3.41Å; V464-E466 VanDerWaalsContact C-N 3.33Å; V464-A467 CarbonylContact O-C 3.6Å; V464-A467 WeakPolarHBondContact O-CB 3.18Å; V464-A467 PolarHBondContact O-N 3.24Å; V464-A468 PolarHBondContact O-N 2.87Å
465	N	98.8	Very high	98.7	Very high	82 Å²	82	40.3 Å²	40.3	44%	0.439	21%	0.21	S	C	.	.	H	α-helix	trans	-70.7	-31.7	179.2	-57.1	-68.5	0	0	0	111.8	G461 E462 M463 A467 A468 L469	G461-N465 PolarHBondContact O-ND2 3.35Å; E462-N465 WeakPolarHBondContact O-CB 3.5Å; E462-N465 PolarHBondContact O-N 2.9Å; E462-N465 PolarHBondContact O-ND2 3.09Å; M463-N465 PolarHBondContact O-N 2.75Å; N465-A467 VanDerWaalsContact C-N 3.34Å; N465-A468 PolarHBondContact O-N 3.4Å; N465-L469 PolarHBondContact O-N 2.75Å
466	E	98.9	Very high	98.7	Very high	64 Å²	64	41.2 Å²	41.2	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-65.3	-41.3	169.6	-174.4	-180	169.4	0	0	110.8	M463 V464 A468 L469 A470 H485 F494	M463-E466 WeakPolarHBondContact O-CB 3.44Å; M463-E466 PolarHBondContact O-N 3.43Å; V464-E466 VanDerWaalsContact C-N 3.33Å; E466-A468 PolarHBondContact O-N 3.2Å; E466-L469 PolarHBondContact O-N 2.72Å; E466-A470 WeakPolarHBondContact O-CB 3.41Å; E466-A470 PolarHBondContact O-N 2.98Å; E466-H485 IonicContact OE1-CD2 3.43Å; E466-H485 IonicContact OE1-CE1 2.79Å; E466-H485 PolarHBondContact OE1-CE1 3.28Å; E466-H485 IonicContact OE1-NE2 2.74Å; E466-H485 PolarHBondContact OE1-NE2 2.96Å; E466-H485 IonicContact OE2-NE2 3.2Å; E466-F494 HydrophobicContact CG-CD1 4.32Å; E466-F494 HydrophobicContact CG-CE1 3.95Å
467	A	98.9	Very high	98.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-65.8	-37	175.9	0	0	0	0	0	112.8	V402 A453 V464 N465 A470 L471 F494	V402-A467 HydrophobicContact CG1-CB 3.69Å; A453-A467 HydrophobicContact CB-CB 3.63Å; V464-A467 CarbonylContact O-C 3.6Å; V464-A467 WeakPolarHBondContact O-CB 3.18Å; V464-A467 PolarHBondContact O-N 3.24Å; N465-A467 VanDerWaalsContact C-N 3.34Å; A467-A470 PolarHBondContact O-N 3.44Å; A467-L471 PolarHBondContact O-N 3.48Å; A467-F494 HydrophobicContact CB-CE2 3.75Å; A467-F494 HydrophobicContact CB-CZ 3.74Å
468	A	98.8	Very high	98.7	Very high	13 Å²	13	44.6 Å²	44.6	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-63.5	-46.6	174.8	0	0	0	0	0	110.8	V402 V464 N465 E466 A470 L471 E472	V402-A468 HydrophobicContact CG2-CB 4.29Å; V464-A468 PolarHBondContact O-N 2.87Å; N465-A468 PolarHBondContact O-N 3.4Å; E466-A468 PolarHBondContact O-N 3.2Å; A468-A470 VanDerWaalsContact C-N 3.29Å; A468-A470 PolarHBondContact O-N 3.2Å; A468-L471 PolarHBondContact O-N 3.41Å; A468-E472 WeakPolarHBondContact O-CG 3.39Å; A468-E472 PolarHBondContact O-N 3.1Å
469	L	98.8	Very high	98.7	Very high	107 Å²	107	48.6 Å²	48.6	56%	0.56	25%	0.254	S	S	*	.	H	α-helix	trans	-58	-42.2	173.8	176.9	63.1	0	0	0	112.1	N465 E466 E472 Y473	N465-L469 PolarHBondContact O-N 2.75Å; E466-L469 PolarHBondContact O-N 2.72Å; L469-E472 PolarHBondContact O-N 3.45Å; L469-Y473 HydrophobicContact CD1-CD2 3.89Å; L469-Y473 HydrophobicContact CD1-CE2 3.97Å; L469-Y473 PolarHBondContact O-N 2.96Å; L469-Y473 VanDerWaalsContact O-N 3.16Å
470	A	98.8	Very high	98.8	Very high	13 Å²	13	47.7 Å²	47.7	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-42.5	178.1	0	0	0	0	0	112.4	E466 A467 A468 Y473 G474 A475 I480	E466-A470 WeakPolarHBondContact O-CB 3.41Å; E466-A470 PolarHBondContact O-N 2.98Å; A467-A470 PolarHBondContact O-N 3.44Å; A468-A470 VanDerWaalsContact C-N 3.29Å; A468-A470 PolarHBondContact O-N 3.2Å; A470-Y473 PolarHBondContact O-N 2.93Å; A470-G474 PolarHBondContact O-N 2.93Å; A470-A475 HydrophobicContact CB-CB 4.02Å; A470-A475 VanDerWaalsContact O-CB 3.25Å; A470-A475 WeakPolarHBondContact O-CB 3.48Å; A470-A475 PolarHBondContact O-N 3.49Å; A470-I480 HydrophobicContact CB-CD1 3.81Å; A470-I480 HydrophobicContact CB-CG1 4.17Å
471	L	98.7	Very high	98.8	Very high	10 Å²	10	48 Å²	48	5%	0.052	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-41.7	176.2	-82.2	169.9	0	0	0	112.5	V402 V450 A467 A468 Y473 G474	V402-L471 HydrophobicContact CB-CD1 4.09Å; V402-L471 HydrophobicContact CG1-CD1 3.63Å; V402-L471 HydrophobicContact CG2-CD1 3.69Å; V450-L471 HydrophobicContact CB-CD2 4.3Å; V450-L471 HydrophobicContact CG1-CD2 4.05Å; V450-L471 HydrophobicContact CG1-CG 4.42Å; V450-L471 WeakPolarHBondContact O-CD2 3.48Å; A467-L471 PolarHBondContact O-N 3.48Å; A468-L471 PolarHBondContact O-N 3.41Å; L471-Y473 VanDerWaalsContact C-N 3.29Å; L471-Y473 PolarHBondContact O-N 3.49Å; L471-G474 WeakPolarHBondContact O-CA 3.35Å; L471-G474 PolarHBondContact O-N 3.09Å
472	E	98.6	Very high	98.8	Very high	112 Å²	112	55.5 Å²	55.5	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-58.7	-39.7	176.5	-76.4	-70.6	-178.7	0	0	112.1	C388 A468 L469 G474	C388-E472 HydrophobicContact CB-CG 3.96Å; C388-E472 WeakPolarHBondContact CB-OE1 3.38Å; A468-E472 WeakPolarHBondContact O-CG 3.39Å; A468-E472 PolarHBondContact O-N 3.1Å; L469-E472 PolarHBondContact O-N 3.45Å; E472-G474 PolarHBondContact O-N 2.95Å
473	Y	98.5	Very high	98.8	Very high	201 Å²	201	51.8 Å²	51.8	79%	0.788	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.9	174	-93.2	-89.6	0	0	0	114.1	L469 A470 L471 A475	L469-Y473 HydrophobicContact CD1-CD2 3.89Å; L469-Y473 HydrophobicContact CD1-CE2 3.97Å; L469-Y473 PolarHBondContact O-N 2.96Å; L469-Y473 VanDerWaalsContact O-N 3.16Å; A470-Y473 PolarHBondContact O-N 2.93Å; L471-Y473 VanDerWaalsContact C-N 3.29Å; L471-Y473 PolarHBondContact O-N 3.49Å; Y473-A475 VanDerWaalsContact C-N 3.29Å; Y473-A475 PolarHBondContact O-N 3.29Å
474	G	98.6	Very high	98.8	Very high	25 Å²	25	56.8 Å²	56.8	26%	0.258	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	33	-174.2	0	0	0	0	0	113.3	A470 L471 E472	A470-G474 PolarHBondContact O-N 2.93Å; L471-G474 WeakPolarHBondContact O-CA 3.35Å; L471-G474 PolarHBondContact O-N 3.09Å; E472-G474 PolarHBondContact O-N 2.95Å
475	A	98.8	Very high	98.8	Very high	14 Å²	14	57.5 Å²	57.5	12%	0.116	30%	0.296	C	S	.	.			trans	-57.7	150.8	-176.7	0	0	0	0	0	113.1	V450 A470 Y473 D479	V450-A475 PolarHBondContact N-O 3.37Å; A470-A475 HydrophobicContact CB-CB 4.02Å; A470-A475 VanDerWaalsContact O-CB 3.25Å; A470-A475 WeakPolarHBondContact O-CB 3.48Å; A470-A475 PolarHBondContact O-N 3.49Å; Y473-A475 VanDerWaalsContact C-N 3.29Å; Y473-A475 PolarHBondContact O-N 3.29Å; A475-D479 HydrophobicContact CB-CB 4.36Å
476	S	98.9	Very high	98.8	Very high	19 Å²	19	56.7 Å²	56.7	13%	0.133	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-84.6	162.4	165.6	67.3	0	0	0	0	112	D448 E478 D479 I480	D448-S476 CarbonylContact O-C 3.53Å; D448-S476 WeakPolarHBondContact O-CA 3.47Å; D448-S476 WeakPolarHBondContact O-CB 3.3Å; S476-E478 PolarHBondContact O-N 2.82Å; S476-D479 WeakPolarHBondContact CB-OD2 3.39Å; S476-D479 PolarHBondContact N-OD2 2.98Å; S476-D479 PolarHBondContact O-N 3.14Å; S476-D479 PolarHBondContact OG-N 3.35Å; S476-D479 PolarHBondContact OG-OD2 3.43Å; S476-I480 PolarHBondContact O-N 3.24Å
477	C	98.8	Very high	98.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-36.7	169.8	-64.8	0	0	0	0	111.1	D448 I480 A481 N498 A501	D448-C477 PolarHBondContact O-N 2.88Å; C477-I480 PolarHBondContact O-N 2.77Å; C477-A481 WeakPolarHBondContact O-CB 3.41Å; C477-A481 PolarHBondContact O-N 2.83Å; C477-N498 HydrophobicContact CB-CB 4.45Å; C477-A501 HydrophobicContact CB-CB 4.16Å
478	E	98.8	Very high	98.7	Very high	71 Å²	71	62.8 Å²	62.8	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-59.4	-44	174.2	-177.7	167.5	-161.8	0	0	112.4	D448 S476 I480 A481 R482 F503	D448-E478 WeakPolarHBondContact OD2-CB 3.21Å; D448-E478 PolarHBondContact OD2-N 3.27Å; S476-E478 PolarHBondContact O-N 2.82Å; E478-I480 VanDerWaalsContact C-N 3.34Å; E478-I480 PolarHBondContact O-N 3.47Å; E478-A481 PolarHBondContact O-N 3.38Å; E478-R482 HydrophobicContact CG-CG 4.28Å; E478-R482 WeakPolarHBondContact O-CG 3.36Å; E478-R482 PolarHBondContact O-N 3.43Å; E478-R482 IonicContact OE1-CZ 4Å; E478-R482 IonicContact OE1-NE 3Å; E478-R482 PolarHBondContact OE1-NE 2.89Å; E478-R482 IonicContact OE1-NH2 3.45Å; E478-R482 PolarHBondContact OE1-NH2 2.83Å; E478-F503 HydrophobicContact CG-CE2 4.28Å; E478-F503 HydrophobicContact CG-CZ 3.99Å
479	D	98.9	Very high	98.7	Very high	92 Å²	92	63.2 Å²	63.2	49%	0.492	34%	0.336	S	S	.	.	H	α-helix	trans	-54.9	-51.4	180	-67.7	-47.7	0	0	0	110.7	A475 S476 R482 V483	A475-D479 HydrophobicContact CB-CB 4.36Å; S476-D479 WeakPolarHBondContact CB-OD2 3.39Å; S476-D479 PolarHBondContact N-OD2 2.98Å; S476-D479 PolarHBondContact O-N 3.14Å; S476-D479 PolarHBondContact OG-N 3.35Å; S476-D479 PolarHBondContact OG-OD2 3.43Å; D479-R482 PolarHBondContact O-N 3.16Å; D479-V483 WeakPolarHBondContact O-CG2 3.41Å; D479-V483 PolarHBondContact O-N 2.79Å
480	I	98.9	Very high	98.7	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-42.9	-179.1	-61.8	161.1	0	0	0	111.1	V450 A470 S476 C477 E478 R482 V483 F494 N498	V450-I480 HydrophobicContact CG2-CD1 3.71Å; A470-I480 HydrophobicContact CB-CD1 3.81Å; A470-I480 HydrophobicContact CB-CG1 4.17Å; S476-I480 PolarHBondContact O-N 3.24Å; C477-I480 PolarHBondContact O-N 2.77Å; E478-I480 VanDerWaalsContact C-N 3.34Å; E478-I480 PolarHBondContact O-N 3.47Å; I480-R482 PolarHBondContact O-N 2.78Å; I480-V483 WeakPolarHBondContact O-CB 3.48Å; I480-V483 PolarHBondContact O-N 2.88Å; I480-V483 VanDerWaalsContact O-N 3.11Å; I480-F494 HydrophobicContact CD1-CE1 4.08Å; I480-F494 HydrophobicContact CD1-CZ 3.8Å; I480-F494 HydrophobicContact CG1-CE1 4.35Å; I480-F494 HydrophobicContact CG2-CD1 3.73Å; I480-F494 HydrophobicContact CG2-CE1 3.42Å; I480-F494 VanDerWaalsContact CG2-CE1 3.42Å; I480-F494 HydrophobicContact CG2-CZ 4.12Å; I480-N498 HydrophobicContact CB-CB 4Å; I480-N498 WeakPolarHBondContact CD1-OD1 3.3Å; I480-N498 HydrophobicContact CG2-CB 3.96Å; I480-N498 WeakPolarHBondContact CG2-ND2 3.47Å
481	A	98.8	Very high	98.7	Very high	5 Å²	5	60.4 Å²	60.4	4%	0.041	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-31.3	179.3	0	0	0	0	0	112.5	C477 E478 R495 N498 L499 F503	C477-A481 WeakPolarHBondContact O-CB 3.41Å; C477-A481 PolarHBondContact O-N 2.83Å; E478-A481 PolarHBondContact O-N 3.38Å; A481-R495 PolarHBondContact O-NE 2.95Å; A481-N498 HydrophobicContact CB-CB 4.49Å; A481-L499 HydrophobicContact CB-CB 3.93Å; A481-L499 HydrophobicContact CB-CD1 3.88Å; A481-F503 HydrophobicContact CB-CE2 4.48Å
482	R	98.6	Very high	98.7	Very high	165 Å²	165	61.4 Å²	61.4	62%	0.623	33%	0.326	S	S	*	.	H	α-helix	trans	-86	-10.2	178.6	-68.6	-166.7	-175	-82.2	0.4	114.4	E478 D479 I480 C484	E478-R482 HydrophobicContact CG-CG 4.28Å; E478-R482 WeakPolarHBondContact O-CG 3.36Å; E478-R482 PolarHBondContact O-N 3.43Å; E478-R482 IonicContact OE1-CZ 4Å; E478-R482 IonicContact OE1-NE 3Å; E478-R482 PolarHBondContact OE1-NE 2.89Å; E478-R482 IonicContact OE1-NH2 3.45Å; E478-R482 PolarHBondContact OE1-NH2 2.83Å; D479-R482 PolarHBondContact O-N 3.16Å; I480-R482 PolarHBondContact O-N 2.78Å; R482-C484 PolarHBondContact O-N 3.28Å
483	V	98.8	Very high	98.7	Very high	73 Å²	73	56 Å²	56	44%	0.442	30%	0.301	S	S	.	.	S	Bend	trans	-66.8	128.5	170.1	175.6	0	0	0	0	109.7	D479 I480 H485 R495	D479-V483 WeakPolarHBondContact O-CG2 3.41Å; D479-V483 PolarHBondContact O-N 2.79Å; I480-V483 WeakPolarHBondContact O-CB 3.48Å; I480-V483 PolarHBondContact O-N 2.88Å; I480-V483 VanDerWaalsContact O-N 3.11Å; V483-H485 VanDerWaalsContact C-N 3.34Å; V483-H485 PolarHBondContact O-N 3.49Å; V483-H485 PolarHBondContact O-ND1 3.05Å; V483-R495 PolarHBondContact O-NE 2.83Å
484	C	98.7	Very high	98.7	Very high	118 Å²	118	46.5 Å²	46.5	80%	0.797	26%	0.264	S	S	*	.			trans	-74.2	86.1	175.3	-167.4	0	0	0	0	110.6	R482	R482-C484 PolarHBondContact O-N 3.28Å
485	H	98.7	Very high	98.7	Very high	14 Å²	14	49 Å²	49	7%	0.065	27%	0.266	C	S	.	.			trans	-70.2	137.4	172.6	-68.1	63.2	0	0	0	110.2	E466 V483 S491 E492 F494	E466-H485 IonicContact OE1-CD2 3.43Å; E466-H485 IonicContact OE1-CE1 2.79Å; E466-H485 PolarHBondContact OE1-CE1 3.28Å; E466-H485 IonicContact OE1-NE2 2.74Å; E466-H485 PolarHBondContact OE1-NE2 2.96Å; E466-H485 IonicContact OE2-NE2 3.2Å; V483-H485 VanDerWaalsContact C-N 3.34Å; V483-H485 PolarHBondContact O-N 3.49Å; V483-H485 PolarHBondContact O-ND1 3.05Å; H485-S491 PolarHBondContact CD2-O 2.89Å; H485-S491 VanDerWaalsContact CD2-O 3.29Å; H485-E492 HydrophobicContact CB-CG 4.25Å; H485-F494 AromaticContact NE2-CD1 4Å
486	A	98.7	Very high	98.7	Very high	66 Å²	66	48.9 Å²	48.9	55%	0.545	26%	0.263	S	S	.	.			trans	-63.9	148.4	-179	0	0	0	0	0	112	T489 E492	A486-T489 HydrophobicContact CB-CG2 3.9Å; A486-T489 WeakPolarHBondContact O-CB 3.33Å; A486-T489 VanDerWaalsContact O-CG2 3.26Å; A486-T489 WeakPolarHBondContact O-CG2 3.05Å; A486-T489 PolarHBondContact O-N 3.21Å; A486-T489 PolarHBondContact O-OG1 3.3Å; A486-E492 WeakPolarHBondContact O-CG 3.42Å
487	H	98.5	Very high	98.7	Very high	131 Å²	131	48 Å²	48	61%	0.606	26%	0.257	S	S	*	.	S	Bend	trans	-117.5	135.8	178.8	-173.3	80.6	0	0	0	111.8	E492	H487-E492 IonicContact CE1-OE1 2.83Å; H487-E492 IonicContact CE1-OE2 2.61Å; H487-E492 IonicContact CG-OE1 2.68Å; H487-E492 IonicContact CG-OE2 3.66Å; H487-E492 VanDerWaalsContact ND1-CD 3.26Å; H487-E492 IonicContact ND1-OE1 3.61Å; H487-E492 PolarHBondContact ND1-OE1 3.42Å; H487-E492 IonicContact ND1-OE2 3.1Å; H487-E492 PolarHBondContact ND1-OE2 3.04Å
488	P	97.8	Very high	98.7	Very high	62 Å²	62	48 Å²	48	40%	0.403	26%	0.257	S	S	.	.	S	Bend	cis	-84.6	130.8	-10.1	33.6	-33	0	0	0	111.4	R428 E492	R428-P488 HydrophobicContact CB-CB 4.17Å; R428-P488 WeakPolarHBondContact CD-O 3.45Å; P488-E492 VanDerWaalsContact CA-OE2 3.25Å; P488-E492 WeakPolarHBondContact CA-OE2 3.14Å
489	T	98.8	Very high	98.7	Very high	22 Å²	22	46 Å²	46	14%	0.135	25%	0.248	C	C	.	.			trans	-136.7	158	171.8	64	0	0	0	0	112.2	N426 A486 S491 E492	N426-T489 PolarHBondContact ND2-O 2.87Å; A486-T489 HydrophobicContact CB-CG2 3.9Å; A486-T489 WeakPolarHBondContact O-CB 3.33Å; A486-T489 VanDerWaalsContact O-CG2 3.26Å; A486-T489 WeakPolarHBondContact O-CG2 3.05Å; A486-T489 PolarHBondContact O-N 3.21Å; A486-T489 PolarHBondContact O-OG1 3.3Å; T489-S491 VanDerWaalsContact C-N 3.25Å; T489-S491 PolarHBondContact O-N 3.49Å; T489-S491 PolarHBondContact OG1-OG 3.01Å; T489-E492 PolarHBondContact N-OE2 3.26Å; T489-E492 PolarHBondContact O-N 3.39Å
490	L	98.8	Very high	98.7	Very high	30 Å²	30	42.2 Å²	42.2	16%	0.157	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-32.6	174.5	-61.5	174.1	0	0	0	111	F423 R428 A429 P458 M463 E492 A493	F423-L490 HydrophobicContact CE1-CB 4.36Å; F423-L490 HydrophobicContact CE1-CD2 4.49Å; R428-L490 HydrophobicContact CB-CD2 4.15Å; R428-L490 HydrophobicContact CG-CD2 4.23Å; R428-L490 HydrophobicContact CG-CG 4.39Å; A429-L490 HydrophobicContact CB-CD2 3.9Å; P458-L490 HydrophobicContact CB-CD1 3.85Å; P458-L490 HydrophobicContact CB-CD2 4.22Å; P458-L490 HydrophobicContact CG-CD1 4.22Å; P458-L490 HydrophobicContact CG-CD2 3.78Å; P458-L490 WeakPolarHBondContact O-CD1 3.3Å; M463-L490 VanDerWaalsContact CE-C 3.42Å; M463-L490 HydrophobicContact CE-CB 3.67Å; M463-L490 VanDerWaalsContact CE-O 3.28Å; M463-L490 WeakPolarHBondContact CE-O 3.4Å; L490-E492 PolarHBondContact O-N 3.2Å; L490-A493 VanDerWaalsContact O-CB 3.28Å; L490-A493 WeakPolarHBondContact O-CB 3.38Å; L490-A493 PolarHBondContact O-N 3.15Å
491	S	98.7	Very high	98.7	Very high	31 Å²	31	42.1 Å²	42.1	22%	0.217	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.6	-179.2	56.7	0	0	0	0	113.4	H485 T489 A493 F494 R495	H485-S491 PolarHBondContact CD2-O 2.89Å; H485-S491 VanDerWaalsContact CD2-O 3.29Å; T489-S491 VanDerWaalsContact C-N 3.25Å; T489-S491 PolarHBondContact O-N 3.49Å; T489-S491 PolarHBondContact OG1-OG 3.01Å; S491-A493 PolarHBondContact O-N 2.84Å; S491-F494 WeakPolarHBondContact O-CA 3.34Å; S491-F494 VanDerWaalsContact O-CB 3.32Å; S491-F494 WeakPolarHBondContact O-CB 3.4Å; S491-F494 PolarHBondContact O-N 3.37Å; S491-R495 PolarHBondContact O-N 3.49Å; S491-R495 VanDerWaalsContact O-N 3.1Å
492	E	98.8	Very high	98.7	Very high	30 Å²	30	43 Å²	43	14%	0.14	24%	0.236	C	C	.	.	H	α-helix	trans	-59	-29.5	166.6	-64.4	178.1	90.5	0	0	112.4	H485 A486 H487 P488 T489 L490 F494 R495 E496	H485-E492 HydrophobicContact CB-CG 4.25Å; A486-E492 WeakPolarHBondContact O-CG 3.42Å; H487-E492 IonicContact CE1-OE1 2.83Å; H487-E492 IonicContact CE1-OE2 2.61Å; H487-E492 IonicContact CG-OE1 2.68Å; H487-E492 IonicContact CG-OE2 3.66Å; H487-E492 VanDerWaalsContact ND1-CD 3.26Å; H487-E492 IonicContact ND1-OE1 3.61Å; H487-E492 PolarHBondContact ND1-OE1 3.42Å; H487-E492 IonicContact ND1-OE2 3.1Å; H487-E492 PolarHBondContact ND1-OE2 3.04Å; P488-E492 VanDerWaalsContact CA-OE2 3.25Å; P488-E492 WeakPolarHBondContact CA-OE2 3.14Å; T489-E492 PolarHBondContact N-OE2 3.26Å; T489-E492 PolarHBondContact O-N 3.39Å; L490-E492 PolarHBondContact O-N 3.2Å; E492-F494 VanDerWaalsContact C-N 3.3Å; E492-F494 PolarHBondContact O-N 3Å; E492-R495 WeakPolarHBondContact O-CB 3.4Å; E492-R495 PolarHBondContact O-N 3.33Å; E492-E496 WeakPolarHBondContact O-CB 3.15Å; E492-E496 VanDerWaalsContact O-CG 3.24Å; E492-E496 WeakPolarHBondContact O-CG 3.33Å; E492-E496 PolarHBondContact O-N 3.44Å
493	A	98.9	Very high	98.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-34.6	172.6	0	0	0	0	0	112.3	F421 F423 N426 V439 L490 S491 A497	F421-A493 HydrophobicContact CD1-CB 3.65Å; F421-A493 HydrophobicContact CE1-CB 4.21Å; F423-A493 HydrophobicContact CD1-CB 4.1Å; F423-A493 HydrophobicContact CE1-CB 3.73Å; F423-A493 HydrophobicContact CZ-CB 4.27Å; N426-A493 HydrophobicContact CB-CB 4.44Å; V439-A493 HydrophobicContact CG2-CB 3.78Å; L490-A493 VanDerWaalsContact O-CB 3.28Å; L490-A493 WeakPolarHBondContact O-CB 3.38Å; L490-A493 PolarHBondContact O-N 3.15Å; S491-A493 PolarHBondContact O-N 2.84Å; A493-A497 WeakPolarHBondContact O-CB 3.48Å; A493-A497 PolarHBondContact O-N 3.01Å
494	F	98.9	Very high	98.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.5	-43.5	174.3	179.5	-114.4	0	0	0	111.5	V439 I441 A453 M463 E466 A467 I480 H485 S491 E492 N498	V439-F494 HydrophobicContact CG1-CD2 4.07Å; I441-F494 HydrophobicContact CD1-CD2 3.83Å; I441-F494 HydrophobicContact CD1-CE2 3.52Å; A453-F494 HydrophobicContact CB-CE2 4.12Å; M463-F494 HydrophobicContact CG-CB 4.21Å; M463-F494 HydrophobicContact SD-CB 3.84Å; E466-F494 HydrophobicContact CG-CD1 4.32Å; E466-F494 HydrophobicContact CG-CE1 3.95Å; A467-F494 HydrophobicContact CB-CE2 3.75Å; A467-F494 HydrophobicContact CB-CZ 3.74Å; I480-F494 HydrophobicContact CD1-CE1 4.08Å; I480-F494 HydrophobicContact CD1-CZ 3.8Å; I480-F494 HydrophobicContact CG1-CE1 4.35Å; I480-F494 HydrophobicContact CG2-CD1 3.73Å; I480-F494 HydrophobicContact CG2-CE1 3.42Å; I480-F494 VanDerWaalsContact CG2-CE1 3.42Å; I480-F494 HydrophobicContact CG2-CZ 4.12Å; H485-F494 AromaticContact NE2-CD1 4Å; S491-F494 WeakPolarHBondContact O-CA 3.34Å; S491-F494 VanDerWaalsContact O-CB 3.32Å; S491-F494 WeakPolarHBondContact O-CB 3.4Å; S491-F494 PolarHBondContact O-N 3.37Å; E492-F494 VanDerWaalsContact C-N 3.3Å; E492-F494 PolarHBondContact O-N 3Å; F494-N498 WeakPolarHBondContact CE2-ND2 3.48Å; F494-N498 PolarHBondContact O-N 2.68Å; F494-N498 VanDerWaalsContact O-N 3.12Å; F494-N498 PolarHBondContact O-ND2 3.42Å
495	R	98.9	Very high	98.6	Very high	78 Å²	78	41.4 Å²	41.4	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-57.3	-50.7	171.8	-172.6	-173.3	175.9	-169	-3.3	112.2	A481 V483 S491 E492 N498 L499	A481-R495 PolarHBondContact O-NE 2.95Å; V483-R495 PolarHBondContact O-NE 2.83Å; S491-R495 PolarHBondContact O-N 3.49Å; S491-R495 VanDerWaalsContact O-N 3.1Å; E492-R495 WeakPolarHBondContact O-CB 3.4Å; E492-R495 PolarHBondContact O-N 3.33Å; R495-N498 PolarHBondContact O-N 2.64Å; R495-L499 PolarHBondContact O-N 3.03Å
496	E	98.9	Very high	98.5	Very high	12 Å²	12	41.3 Å²	41.3	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-36.2	-176.2	-70.5	-76.7	90.8	0	0	112.3	F421 E492 L499 A500 S506 I507 N508	F421-E496 HydrophobicContact CB-CB 4.17Å; F421-E496 HydrophobicContact CD1-CB 4.24Å; F421-E496 HydrophobicContact CD2-CB 3.25Å; F421-E496 HydrophobicContact CD2-CG 4.02Å; F421-E496 HydrophobicContact CE1-CB 4.47Å; F421-E496 HydrophobicContact CE2-CB 3.52Å; F421-E496 HydrophobicContact CE2-CG 3.74Å; F421-E496 HydrophobicContact CG-CB 3.62Å; F421-E496 HydrophobicContact CZ-CB 4.14Å; F421-E496 HydrophobicContact CZ-CG 4.06Å; E492-E496 WeakPolarHBondContact O-CB 3.15Å; E492-E496 VanDerWaalsContact O-CG 3.24Å; E492-E496 WeakPolarHBondContact O-CG 3.33Å; E492-E496 PolarHBondContact O-N 3.44Å; E496-L499 WeakPolarHBondContact O-CB 3.27Å; E496-L499 PolarHBondContact O-N 2.83Å; E496-A500 WeakPolarHBondContact O-CB 3.41Å; E496-A500 PolarHBondContact O-N 3.31Å; E496-S506 WeakPolarHBondContact O-CB 3.29Å; E496-I507 PolarHBondContact OE2-N 3.4Å; E496-N508 WeakPolarHBondContact OE2-CB 3.39Å; E496-N508 PolarHBondContact OE2-N 3.14Å; E496-N508 PolarHBondContact OE2-ND2 2.99Å
497	A	98.9	Very high	98.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-38.5	173.9	0	0	0	0	0	112	G419 F421 V439 I441 A493 A500 A501	G419-A497 WeakPolarHBondContact CA-O 3.48Å; F421-A497 HydrophobicContact CB-CB 3.91Å; V439-A497 HydrophobicContact CB-CB 3.94Å; V439-A497 HydrophobicContact CG1-CB 3.79Å; I441-A497 HydrophobicContact CG1-CB 3.75Å; A493-A497 WeakPolarHBondContact O-CB 3.48Å; A493-A497 PolarHBondContact O-N 3.01Å; A497-A500 PolarHBondContact O-N 3.39Å; A497-A501 PolarHBondContact O-N 2.8Å
498	N	98.9	Very high	98.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67	-39.3	172.5	-84.1	-78.4	0	0	0	112	I441 C477 I480 A481 F494 R495 A500 A501 S502	I441-N498 WeakPolarHBondContact CG2-OD1 3.5Å; C477-N498 HydrophobicContact CB-CB 4.45Å; I480-N498 HydrophobicContact CB-CB 4Å; I480-N498 WeakPolarHBondContact CD1-OD1 3.3Å; I480-N498 HydrophobicContact CG2-CB 3.96Å; I480-N498 WeakPolarHBondContact CG2-ND2 3.47Å; A481-N498 HydrophobicContact CB-CB 4.49Å; F494-N498 WeakPolarHBondContact CE2-ND2 3.48Å; F494-N498 PolarHBondContact O-N 2.68Å; F494-N498 VanDerWaalsContact O-N 3.12Å; F494-N498 PolarHBondContact O-ND2 3.42Å; R495-N498 PolarHBondContact O-N 2.64Å; N498-A500 VanDerWaalsContact C-N 3.34Å; N498-A500 PolarHBondContact O-N 2.8Å; N498-A501 PolarHBondContact O-N 3.17Å; N498-S502 WeakPolarHBondContact O-CB 3.44Å; N498-S502 PolarHBondContact O-N 3.4Å
499	L	98.8	Very high	97.3	Very high	29 Å²	29	48 Å²	48	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-44.3	173.9	-172.9	73.4	0	0	0	111.2	A481 R495 E496 A501 S502 F503 I507	A481-L499 HydrophobicContact CB-CB 3.93Å; A481-L499 HydrophobicContact CB-CD1 3.88Å; R495-L499 PolarHBondContact O-N 3.03Å; E496-L499 WeakPolarHBondContact O-CB 3.27Å; E496-L499 PolarHBondContact O-N 2.83Å; L499-A501 PolarHBondContact O-N 3.36Å; L499-S502 PolarHBondContact O-N 3.03Å; L499-F503 HydrophobicContact CD1-CD2 3.35Å; L499-F503 HydrophobicContact CD1-CE2 3.72Å; L499-F503 HydrophobicContact CD1-CG 4.2Å; L499-F503 HydrophobicContact CG-CD2 4.2Å; L499-F503 WeakPolarHBondContact O-CB 3.45Å; L499-F503 PolarHBondContact O-N 3.01Å; L499-I507 HydrophobicContact CD2-CD1 4.12Å; L499-I507 HydrophobicContact CD2-CG1 3.67Å
500	A	98.8	Very high	97.2	Very high	13 Å²	13	49.4 Å²	49.4	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-40.2	174.8	0	0	0	0	0	112.6	E496 A497 N498 G504	E496-A500 WeakPolarHBondContact O-CB 3.41Å; E496-A500 PolarHBondContact O-N 3.31Å; A497-A500 PolarHBondContact O-N 3.39Å; N498-A500 VanDerWaalsContact C-N 3.34Å; N498-A500 PolarHBondContact O-N 2.8Å; A500-G504 CarbonylContact O-C 3.52Å; A500-G504 WeakPolarHBondContact O-CA 3.48Å; A500-G504 PolarHBondContact O-N 3.36Å
501	A	98.8	Very high	97.2	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-66.6	-43.8	176.3	0	0	0	0	0	111.9	K417 I441 C477 A497 N498 L499	K417-A501 WeakPolarHBondContact CD-O 3.3Å; K417-A501 WeakPolarHBondContact CE-O 3.15Å; K417-A501 PolarHBondContact NZ-O 3.49Å; I441-A501 HydrophobicContact CB-CB 4.41Å; I441-A501 HydrophobicContact CG2-CB 4.18Å; C477-A501 HydrophobicContact CB-CB 4.16Å; A497-A501 PolarHBondContact O-N 2.8Å; N498-A501 PolarHBondContact O-N 3.17Å; L499-A501 PolarHBondContact O-N 3.36Å
502	S	98.7	Very high	97.1	Very high	24 Å²	24	51.4 Å²	51.4	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-75.2	-49.7	-175.7	-169.7	0	0	0	0	112.1	K417 D448 N498 L499	K417-S502 PolarHBondContact NZ-O 2.91Å; D448-S502 WeakPolarHBondContact OD2-CB 3.34Å; D448-S502 PolarHBondContact OD2-OG 3.43Å; N498-S502 WeakPolarHBondContact O-CB 3.44Å; N498-S502 PolarHBondContact O-N 3.4Å; L499-S502 PolarHBondContact O-N 3.03Å
503	F	98.3	Very high	97	Very high	99 Å²	99	52.7 Å²	52.7	43%	0.434	27%	0.274	S	S	.	.	H	α-helix	trans	-106.1	0.1	-170.9	-60.5	-87.6	0	0	0	114.6	E478 A481 L499 K505	E478-F503 HydrophobicContact CG-CE2 4.28Å; E478-F503 HydrophobicContact CG-CZ 3.99Å; A481-F503 HydrophobicContact CB-CE2 4.48Å; L499-F503 HydrophobicContact CD1-CD2 3.35Å; L499-F503 HydrophobicContact CD1-CE2 3.72Å; L499-F503 HydrophobicContact CD1-CG 4.2Å; L499-F503 HydrophobicContact CG-CD2 4.2Å; L499-F503 WeakPolarHBondContact O-CB 3.45Å; L499-F503 PolarHBondContact O-N 3.01Å; F503-K505 VanDerWaalsContact C-N 3.32Å; F503-K505 PolarHBondContact O-N 3.14Å
504	G	97.7	Very high	96.8	Very high	66 Å²	66	56 Å²	56	68%	0.68	29%	0.291	S	S	*	.	S	Bend	trans	82.4	-2.6	176.5	0	0	0	0	0	115.9	A500	A500-G504 CarbonylContact O-C 3.52Å; A500-G504 WeakPolarHBondContact O-CA 3.48Å; A500-G504 PolarHBondContact O-N 3.36Å
505	K	96.6	Very high	96.7	Very high	158 Å²	158	59.7 Å²	59.7	69%	0.687	31%	0.31	S	S	*	.	S	Bend	trans	-158	148.9	174.8	55.9	-176.5	164.9	-175.5	0	110.1	F503	F503-K505 VanDerWaalsContact C-N 3.32Å; F503-K505 PolarHBondContact O-N 3.14Å
506	S	98	Very high	96.6	Very high	11 Å²	11	58.4 Å²	58.4	8%	0.077	31%	0.311	C	S	.	.			trans	-91.4	-179.4	168.1	82.9	0	0	0	0	111.3	F421 E496 F509	F421-S506 WeakPolarHBondContact CD2-OG 3.49Å; E496-S506 WeakPolarHBondContact O-CB 3.29Å; S506-F509 VanDerWaalsContact CB-O 3.3Å; S506-F509 WeakPolarHBondContact CB-O 3.48Å; S506-F509 PolarHBondContact N-O 3.08Å; S506-F509 VanDerWaalsContact OG-C 3.22Å; S506-F509 VanDerWaalsContact OG-CA 3.3Å; S506-F509 WeakPolarHBondContact OG-CA 3.41Å; S506-F509 PolarHBondContact OG-N 3Å; S506-F509 PolarHBondContact OG-O 2.79Å
507	I	98.5	Very high	96.4	Very high	137 Å²	137	62 Å²	62	70%	0.703	33%	0.331	S	S	*	.	S	Bend	trans	-83.1	-37.9	175.7	-60.7	-53.6	0	0	0	110.8	E496 L499	E496-I507 PolarHBondContact OE2-N 3.4Å; L499-I507 HydrophobicContact CD2-CD1 4.12Å; L499-I507 HydrophobicContact CD2-CG1 3.67Å
508	N	97.9	Very high	96.2	Very high	101 Å²	101	67.2 Å²	67.2	54%	0.54	36%	0.359	S	S	.	.			trans	-107.9	-1.2	-173.5	-59	-84	0	0	0	113.7	F421 E496	F421-N508 HydrophobicContact CE2-CB 3.81Å; F421-N508 HydrophobicContact CZ-CB 3.79Å; E496-N508 WeakPolarHBondContact OE2-CB 3.39Å; E496-N508 PolarHBondContact OE2-N 3.14Å; E496-N508 PolarHBondContact OE2-ND2 2.99Å
509	F	73	Confident	95.9	Very high	163 Å²	163	73.3 Å²	73.3	72%	0.715	39%	0.391	S	S	*	.			trans	-159	0	171.6	-161.9	-110.4	0	0	0	116.9	F421 P422 A425 S506	F421-F509 HydrophobicContact CD2-CB 3.62Å; F421-F509 HydrophobicContact CE2-CB 3.54Å; F421-F509 HydrophobicContact CZ-CB 4.41Å; P422-F509 VanDerWaalsContact CD-CG 3.5Å; P422-F509 HydrophobicContact CG-CB 4.42Å; P422-F509 HydrophobicContact CG-CD1 3.67Å; P422-F509 HydrophobicContact CG-CD2 3.99Å; P422-F509 HydrophobicContact CG-CE1 3.8Å; P422-F509 HydrophobicContact CG-CE2 4.14Å; P422-F509 HydrophobicContact CG-CG 3.75Å; P422-F509 HydrophobicContact CG-CZ 4.04Å; A425-F509 HydrophobicContact CB-CB 4.35Å; S506-F509 VanDerWaalsContact CB-O 3.3Å; S506-F509 WeakPolarHBondContact CB-O 3.48Å; S506-F509 PolarHBondContact N-O 3.08Å; S506-F509 VanDerWaalsContact OG-C 3.22Å; S506-F509 VanDerWaalsContact OG-CA 3.3Å; S506-F509 WeakPolarHBondContact OG-CA 3.41Å; S506-F509 PolarHBondContact OG-N 3Å; S506-F509 PolarHBondContact OG-O 2.79Å

Retrieved 509 of 509 residues in 1144.3 ms (Link to these results)

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