A0A087XZT1_POEFO Loading...

5-aminolevulinate synthase

Catalyzes the pyridoxal 5'-phosphate (PLP)-dependent condensation of succinyl-CoA and glycine to form aminolevulinic acid (ALA), with CoA and CO2 as by-products.

AlphaFold DB (A0A3B3VK24), UniProt , Accession A0A087XZT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 623 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	50.3	Low	55.9	Low	141 Å²	141	89.3 Å²	89.3	70%	0.695	43%	0.429	S	S	*	.				0	-38.7	0	-70.9	-162.9	-147.1	0	0	113.9	V3 I4 V27	M1-V3 PolarHBondContact O-N 2.88Å; M1-I4 PolarHBondContact O-N 3.34Å; M1-V27 HydrophobicContact SD-CG1 3.69Å
2	E	53.1	Low	56.1	Low	97 Å²	97	88.1 Å²	88.1	45%	0.453	45%	0.445	S	S	.	.	H	α-helix	trans	-58.8	-31	-179.3	-65	-163.2	146.4	0	0	114.6	I4 V5 R6 R23	E2-I4 VanDerWaalsContact C-N 3.33Å; E2-I4 PolarHBondContact O-N 3.03Å; E2-V5 PolarHBondContact O-N 2.67Å; E2-R6 PolarHBondContact O-N 3.31Å; E2-R6 IonicContact OE2-NH2 3.38Å; E2-R23 IonicContact OE1-CZ 2.7Å; E2-R23 IonicContact OE1-NH2 3.23Å; E2-R23 PolarHBondContact OE1-NH2 2.99Å
3	V	54.5	Low	56	Low	69 Å²	69	90.1 Å²	90.1	42%	0.418	47%	0.47	S	S	.	.	H	α-helix	trans	-61	-37.2	-179.9	-176.7	0	0	0	0	112.8	M1 R7 M44	M1-V3 PolarHBondContact O-N 2.88Å; V3-R7 HydrophobicContact CG1-CG 4.45Å; V3-R7 WeakPolarHBondContact O-CB 3.42Å; V3-R7 VanDerWaalsContact O-CG 3.32Å; V3-R7 WeakPolarHBondContact O-CG 3.33Å; V3-R7 PolarHBondContact O-N 3.4Å; V3-R7 VanDerWaalsContact O-N 3.14Å; V3-M44 HydrophobicContact CG1-SD 4.16Å; V3-M44 HydrophobicContact CG2-SD 4.42Å
4	I	57.8	Low	56.3	Low	39 Å²	39	86.3 Å²	86.3	20%	0.2	45%	0.452	C	S	.	.	H	α-helix	trans	-67.3	-43.6	180	-58.9	-179.2	0	0	0	110	M1 E2 R7 A30 M36 A40	M1-I4 PolarHBondContact O-N 3.34Å; E2-I4 VanDerWaalsContact C-N 3.33Å; E2-I4 PolarHBondContact O-N 3.03Å; I4-R7 PolarHBondContact O-N 3.37Å; I4-A30 HydrophobicContact CG2-CB 4.13Å; I4-M36 HydrophobicContact CG2-CB 4.43Å; I4-M36 HydrophobicContact CG2-CE 3.67Å; I4-M36 WeakPolarHBondContact O-CE 3.12Å; I4-A40 HydrophobicContact CD1-CB 3.87Å; I4-A40 HydrophobicContact CG1-CB 3.89Å
5	V	58.3	Low	57.1	Low	24 Å²	24	86.8 Å²	86.8	15%	0.145	46%	0.463	C	S	.	.	H	α-helix	trans	-68.2	-39	-178.1	179.9	0	0	0	0	111.5	E2 L11 F19 V27	E2-V5 PolarHBondContact O-N 2.67Å; V5-L11 HydrophobicContact CG1-CD1 4.35Å; V5-F19 HydrophobicContact CG1-CD1 4.21Å; V5-F19 HydrophobicContact CG1-CE1 3.31Å; V5-F19 HydrophobicContact CG1-CZ 3.92Å; V5-V27 HydrophobicContact CG2-CG2 4.12Å
6	R	56	Low	57.3	Low	187 Å²	187	91.1 Å²	91.1	71%	0.706	48%	0.479	S	S	*	.	H	α-helix	trans	-77	-14.4	177.3	-68.1	-173.5	-176.5	168.1	7.3	114.6	E2	E2-R6 PolarHBondContact O-N 3.31Å; E2-R6 IonicContact OE2-NH2 3.38Å
7	R	58.1	Low	57.8	Low	88 Å²	88	89.6 Å²	89.6	33%	0.332	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.1	176.5	-82.4	-177.8	172.1	-171.9	-3.5	114.1	V3 I4 P9 L39 K42 M44	V3-R7 HydrophobicContact CG1-CG 4.45Å; V3-R7 WeakPolarHBondContact O-CB 3.42Å; V3-R7 VanDerWaalsContact O-CG 3.32Å; V3-R7 WeakPolarHBondContact O-CG 3.33Å; V3-R7 PolarHBondContact O-N 3.4Å; V3-R7 VanDerWaalsContact O-N 3.14Å; I4-R7 PolarHBondContact O-N 3.37Å; R7-P9 WeakPolarHBondContact O-CD 3.16Å; R7-L39 PolarHBondContact NH1-O 3.11Å; R7-K42 PolarHBondContact NH1-O 3.27Å; R7-M44 VanDerWaalsContact NH2-CG 3.3Å
8	C	60.7	Low	58.1	Low	20 Å²	20	91.2 Å²	91.2	14%	0.135	49%	0.486	C	S	.	.			trans	-85.3	119.6	177.3	-172.4	0	0	0	0	110.9	F10 L11 A12 M36	C8-F10 VanDerWaalsContact C-N 3.27Å; C8-F10 PolarHBondContact O-N 2.78Å; C8-L11 HydrophobicContact CB-CB 3.97Å; C8-L11 HydrophobicContact CB-CD1 3.84Å; C8-L11 HydrophobicContact CB-CG 3.78Å; C8-L11 PolarHBondContact O-N 2.91Å; C8-A12 PolarHBondContact O-N 3.1Å; C8-A12 VanDerWaalsContact O-N 3.1Å; C8-M36 HydrophobicContact CB-CE 3.78Å; C8-M36 HydrophobicContact CB-SD 4.01Å
9	P	54.8	Low	58.4	Low	100 Å²	100	88.8 Å²	88.8	65%	0.649	47%	0.471	S	S	*	.	H	α-helix	trans	-58.6	-37.1	-178.4	-24.7	34.2	0	0	0	113.3	R7 L11	R7-P9 WeakPolarHBondContact O-CD 3.16Å; P9-L11 VanDerWaalsContact C-N 3.34Å; P9-L11 PolarHBondContact O-N 3.33Å
10	F	53.9	Low	58.5	Low	177 Å²	177	91.6 Å²	91.6	78%	0.776	48%	0.48	S	S	*	.	H	α-helix	trans	-67.6	-32.6	177.5	-77.7	-85.5	0	0	0	113.3	C8	C8-F10 VanDerWaalsContact C-N 3.27Å; C8-F10 PolarHBondContact O-N 2.78Å
11	L	57.9	Low	58.8	Low	40 Å²	40	95.7 Å²	95.7	21%	0.209	50%	0.497	C	S	.	.	H	α-helix	trans	-85.4	-25.9	-177.3	-56.6	-176.6	0	0	0	111.9	V5 C8 P9 C13 V14 F19 M26	V5-L11 HydrophobicContact CG1-CD1 4.35Å; C8-L11 HydrophobicContact CB-CB 3.97Å; C8-L11 HydrophobicContact CB-CD1 3.84Å; C8-L11 HydrophobicContact CB-CG 3.78Å; C8-L11 PolarHBondContact O-N 2.91Å; P9-L11 VanDerWaalsContact C-N 3.34Å; P9-L11 PolarHBondContact O-N 3.33Å; L11-C13 PolarHBondContact O-N 3Å; L11-V14 HydrophobicContact CD2-CG2 4.35Å; L11-V14 WeakPolarHBondContact O-CB 3.31Å; L11-V14 PolarHBondContact O-N 3.38Å; L11-V14 VanDerWaalsContact O-N 3.1Å; L11-F19 HydrophobicContact CB-CE1 4.37Å; L11-F19 HydrophobicContact CB-CZ 3.86Å; L11-F19 WeakPolarHBondContact O-CE2 3.35Å; L11-F19 WeakPolarHBondContact O-CZ 3.38Å; L11-M26 HydrophobicContact CB-CE 4.46Å; L11-M26 HydrophobicContact CD1-CE 3.56Å; L11-M26 HydrophobicContact CD2-CE 3.45Å; L11-M26 VanDerWaalsContact CD2-CE 3.45Å; L11-M26 HydrophobicContact CG-CE 3.99Å
12	A	58.1	Low	59.2	Low	75 Å²	75	90 Å²	90	62%	0.62	47%	0.471	S	S	*	.	H	α-helix	trans	-59.5	-25.9	174.3	0	0	0	0	0	113.4	C8	C8-A12 PolarHBondContact O-N 3.1Å; C8-A12 VanDerWaalsContact O-N 3.1Å
13	C	54.7	Low	59.6	Low	114 Å²	114	92.1 Å²	92.1	77%	0.77	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	0.6	178.5	-59.4	0	0	0	0	114.3	L11	L11-C13 PolarHBondContact O-N 3Å
14	V	60	Low	60	Low	37 Å²	37	97.7 Å²	97.7	22%	0.224	49%	0.494	C	S	.	.	S	Bend	trans	-86.2	130.4	-174.4	174.2	0	0	0	0	111	L11 Q16 F18 F19	L11-V14 HydrophobicContact CD2-CG2 4.35Å; L11-V14 WeakPolarHBondContact O-CB 3.31Å; L11-V14 PolarHBondContact O-N 3.38Å; L11-V14 VanDerWaalsContact O-N 3.1Å; V14-Q16 PolarHBondContact O-N 3.35Å; V14-F18 HydrophobicContact CG1-CB 3.94Å; V14-F18 HydrophobicContact CG1-CD1 3.53Å; V14-F18 HydrophobicContact CG1-CE1 4.41Å; V14-F18 HydrophobicContact CG1-CG 4.05Å; V14-F19 HydrophobicContact CB-CD2 4.14Å; V14-F19 HydrophobicContact CB-CE2 3.78Å; V14-F19 HydrophobicContact CB-CZ 4.3Å; V14-F19 HydrophobicContact CG1-CD2 4.07Å; V14-F19 HydrophobicContact CG1-CE2 4.19Å; V14-F19 WeakPolarHBondContact O-CD2 3.44Å; V14-F19 WeakPolarHBondContact O-CE2 3.19Å
15	P	68.2	Low	60.4	Low	94 Å²	94	99.5 Å²	99.5	61%	0.61	51%	0.51	S	S	*	.			trans	-55.7	138.2	178.9	-28	35.5	0	0	0	113.6	A17 F18 F19	P15-A17 PolarHBondContact O-N 2.9Å; P15-A17 VanDerWaalsContact O-N 3.1Å; P15-F18 WeakPolarHBondContact O-CB 3.47Å; P15-F18 PolarHBondContact O-N 3.46Å; P15-F19 PolarHBondContact O-N 3.22Å
16	Q	61.3	Low	60.6	Low	155 Å²	155	100 Å²	100	72%	0.724	51%	0.511	S	S	*	.	H	α-helix	trans	-60.6	-26.8	-172.3	-166.8	165.3	-9.4	0	0	113.9	V14 F19 Q20	V14-Q16 PolarHBondContact O-N 3.35Å; Q16-F19 WeakPolarHBondContact O-CB 3.43Å; Q16-Q20 WeakPolarHBondContact O-CG 3.44Å; Q16-Q20 PolarHBondContact O-N 3.05Å
17	A	65.1	Low	61	Low	67 Å²	67	92.5 Å²	92.5	55%	0.554	49%	0.486	S	S	*	.	H	α-helix	trans	-66.1	-42.8	172.9	0	0	0	0	0	112.8	P15 F19 Q20 Q21	P15-A17 PolarHBondContact O-N 2.9Å; P15-A17 VanDerWaalsContact O-N 3.1Å; A17-F19 VanDerWaalsContact C-N 3.32Å; A17-F19 PolarHBondContact O-N 3.45Å; A17-Q20 PolarHBondContact O-N 2.93Å; A17-Q21 PolarHBondContact O-N 2.98Å
18	F	63.4	Low	61.4	Low	118 Å²	118	91.4 Å²	91.4	52%	0.518	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-39.8	177.4	-173.8	-87.1	0	0	0	111	V14 P15 Q20 Q21 S22 M26	V14-F18 HydrophobicContact CG1-CB 3.94Å; V14-F18 HydrophobicContact CG1-CD1 3.53Å; V14-F18 HydrophobicContact CG1-CE1 4.41Å; V14-F18 HydrophobicContact CG1-CG 4.05Å; P15-F18 WeakPolarHBondContact O-CB 3.47Å; P15-F18 PolarHBondContact O-N 3.46Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 3.36Å; F18-Q21 PolarHBondContact O-N 2.73Å; F18-S22 WeakPolarHBondContact O-CB 3.26Å; F18-S22 PolarHBondContact O-N 3.33Å; F18-S22 PolarHBondContact O-OG 2.67Å; F18-M26 HydrophobicContact CE1-SD 4.31Å
19	F	63.1	Low	61.5	Low	46 Å²	46	99 Å²	99	20%	0.202	52%	0.516	C	S	.	.	H	α-helix	trans	-57.6	-39.5	173.4	-95.7	-61.3	0	0	0	114.1	V5 L11 V14 P15 Q16 A17 R23 M26	V5-F19 HydrophobicContact CG1-CD1 4.21Å; V5-F19 HydrophobicContact CG1-CE1 3.31Å; V5-F19 HydrophobicContact CG1-CZ 3.92Å; L11-F19 HydrophobicContact CB-CE1 4.37Å; L11-F19 HydrophobicContact CB-CZ 3.86Å; L11-F19 WeakPolarHBondContact O-CE2 3.35Å; L11-F19 WeakPolarHBondContact O-CZ 3.38Å; V14-F19 HydrophobicContact CB-CD2 4.14Å; V14-F19 HydrophobicContact CB-CE2 3.78Å; V14-F19 HydrophobicContact CB-CZ 4.3Å; V14-F19 HydrophobicContact CG1-CD2 4.07Å; V14-F19 HydrophobicContact CG1-CE2 4.19Å; V14-F19 WeakPolarHBondContact O-CD2 3.44Å; V14-F19 WeakPolarHBondContact O-CE2 3.19Å; P15-F19 PolarHBondContact O-N 3.22Å; Q16-F19 WeakPolarHBondContact O-CB 3.43Å; A17-F19 VanDerWaalsContact C-N 3.32Å; A17-F19 PolarHBondContact O-N 3.45Å; F19-R23 WeakPolarHBondContact O-CA 2.97Å; F19-R23 VanDerWaalsContact O-CB 3.24Å; F19-R23 WeakPolarHBondContact O-CB 3.35Å; F19-R23 PolarHBondContact O-N 3.46Å; F19-R23 VanDerWaalsContact O-N 3.11Å; F19-M26 HydrophobicContact CD1-CE 3.94Å; F19-M26 HydrophobicContact CD1-SD 4.39Å; F19-M26 HydrophobicContact CE1-CE 3.48Å; F19-M26 VanDerWaalsContact CE1-CE 3.48Å; F19-M26 HydrophobicContact CE1-SD 4.48Å; F19-M26 HydrophobicContact CZ-CE 4.36Å
20	Q	60.3	Low	62	Low	143 Å²	143	94.7 Å²	94.7	67%	0.668	49%	0.49	S	S	*	.	H	α-helix	trans	-67.9	-39.6	-179	-74.6	177.9	-10.4	0	0	111.8	Q16 A17 F18	Q16-Q20 WeakPolarHBondContact O-CG 3.44Å; Q16-Q20 PolarHBondContact O-N 3.05Å; A17-Q20 PolarHBondContact O-N 2.93Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 3.36Å
21	Q	66	Low	62.3	Low	178 Å²	178	91.1 Å²	91.1	83%	0.832	48%	0.475	S	S	*	.	H	α-helix	trans	-74.8	-40.1	179.5	-68.8	179.4	-16	0	0	113	A17 F18	A17-Q21 PolarHBondContact O-N 2.98Å; F18-Q21 PolarHBondContact O-N 2.73Å
22	S	58.5	Low	62.6	Low	22 Å²	22	98.9 Å²	98.9	15%	0.154	50%	0.502	C	S	.	.	H	α-helix	trans	-93.5	-1.7	-173.5	61.6	0	0	0	0	114.9	F18 K24 S25 M26	F18-S22 WeakPolarHBondContact O-CB 3.26Å; F18-S22 PolarHBondContact O-N 3.33Å; F18-S22 PolarHBondContact O-OG 2.67Å; S22-K24 VanDerWaalsContact C-N 3.32Å; S22-K24 PolarHBondContact O-N 2.87Å; S22-K24 VanDerWaalsContact O-N 3.08Å; S22-S25 PolarHBondContact O-N 3.35Å; S22-S25 VanDerWaalsContact O-N 3.14Å; S22-M26 PolarHBondContact O-N 2.66Å; S22-M26 VanDerWaalsContact O-N 3.13Å; S22-M26 PolarHBondContact OG-SD 2.93Å
23	R	61.7	Low	62.9	Low	142 Å²	142	97.5 Å²	97.5	54%	0.536	49%	0.487	S	S	.	.	H	α-helix	trans	-46.4	-46	-167.7	-156.6	177.6	-174.6	177.3	4.8	114.8	E2 F19 V27	E2-R23 IonicContact OE1-CZ 2.7Å; E2-R23 IonicContact OE1-NH2 3.23Å; E2-R23 PolarHBondContact OE1-NH2 2.99Å; F19-R23 WeakPolarHBondContact O-CA 2.97Å; F19-R23 VanDerWaalsContact O-CB 3.24Å; F19-R23 WeakPolarHBondContact O-CB 3.35Å; F19-R23 PolarHBondContact O-N 3.46Å; F19-R23 VanDerWaalsContact O-N 3.11Å; R23-V27 VanDerWaalsContact O-CG2 3.31Å; R23-V27 WeakPolarHBondContact O-CG2 3.23Å; R23-V27 PolarHBondContact O-N 3.02Å
24	K	63	Low	63.2	Low	186 Å²	186	97 Å²	97	81%	0.809	48%	0.483	S	S	*	.	H	α-helix	trans	-67.7	-51.2	-176.2	-68.4	-175.9	179	179.8	0	111.2	S22 M26 V27 T28	S22-K24 VanDerWaalsContact C-N 3.32Å; S22-K24 PolarHBondContact O-N 2.87Å; S22-K24 VanDerWaalsContact O-N 3.08Å; K24-M26 PolarHBondContact O-N 2.65Å; K24-V27 PolarHBondContact O-N 3.18Å; K24-T28 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-OG1 2.8Å
25	S	65.5	Low	63.5	Low	77 Å²	77	100.8 Å²	100.8	54%	0.538	50%	0.5	S	S	.	.	H	α-helix	trans	-62.6	-43.1	-178.1	-48.8	0	0	0	0	112.3	S22 V27 T28 Y29	S22-S25 PolarHBondContact O-N 3.35Å; S22-S25 VanDerWaalsContact O-N 3.14Å; S25-V27 VanDerWaalsContact C-N 3.35Å; S25-V27 PolarHBondContact O-N 2.77Å; S25-T28 PolarHBondContact O-N 2.92Å; S25-Y29 WeakPolarHBondContact O-CD2 3.09Å; S25-Y29 PolarHBondContact O-N 3.38Å
26	M	63.2	Low	63.4	Low	33 Å²	33	97.1 Å²	97.1	16%	0.163	48%	0.475	C	S	.	.	H	α-helix	trans	-63.9	-36.9	179.3	-75.5	178.8	52.9	0	0	113.2	L11 F18 F19 S22 K24 Y29 A30	L11-M26 HydrophobicContact CB-CE 4.46Å; L11-M26 HydrophobicContact CD1-CE 3.56Å; L11-M26 HydrophobicContact CD2-CE 3.45Å; L11-M26 VanDerWaalsContact CD2-CE 3.45Å; L11-M26 HydrophobicContact CG-CE 3.99Å; F18-M26 HydrophobicContact CE1-SD 4.31Å; F19-M26 HydrophobicContact CD1-CE 3.94Å; F19-M26 HydrophobicContact CD1-SD 4.39Å; F19-M26 HydrophobicContact CE1-CE 3.48Å; F19-M26 VanDerWaalsContact CE1-CE 3.48Å; F19-M26 HydrophobicContact CE1-SD 4.48Å; F19-M26 HydrophobicContact CZ-CE 4.36Å; S22-M26 PolarHBondContact O-N 2.66Å; S22-M26 VanDerWaalsContact O-N 3.13Å; S22-M26 PolarHBondContact OG-SD 2.93Å; K24-M26 PolarHBondContact O-N 2.65Å; M26-Y29 PolarHBondContact O-N 3.16Å; M26-A30 WeakPolarHBondContact O-CB 3.41Å; M26-A30 PolarHBondContact O-N 3.12Å
27	V	64.4	Low	63.7	Low	31 Å²	31	94.3 Å²	94.3	19%	0.188	46%	0.463	C	S	.	.	H	α-helix	trans	-64.5	-41.6	175.3	168.1	0	0	0	0	111	M1 V5 R23 K24 S25 Y29 A30 Q31	M1-V27 HydrophobicContact SD-CG1 3.69Å; V5-V27 HydrophobicContact CG2-CG2 4.12Å; R23-V27 VanDerWaalsContact O-CG2 3.31Å; R23-V27 WeakPolarHBondContact O-CG2 3.23Å; R23-V27 PolarHBondContact O-N 3.02Å; K24-V27 PolarHBondContact O-N 3.18Å; S25-V27 VanDerWaalsContact C-N 3.35Å; S25-V27 PolarHBondContact O-N 2.77Å; V27-Y29 PolarHBondContact O-N 2.86Å; V27-A30 PolarHBondContact O-N 3.23Å; V27-Q31 WeakPolarHBondContact O-CG 3.43Å; V27-Q31 PolarHBondContact O-N 2.72Å; V27-Q31 VanDerWaalsContact O-N 3.08Å
28	T	65.5	Low	63.8	Low	65 Å²	65	96.5 Å²	96.5	40%	0.399	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-38.3	176.3	-51.4	0	0	0	0	112.5	K24 S25	K24-T28 PolarHBondContact O-N 3.38Å; K24-T28 PolarHBondContact O-OG1 2.8Å; S25-T28 PolarHBondContact O-N 2.92Å
29	Y	63.5	Low	63.8	Low	178 Å²	178	94 Å²	94	70%	0.698	45%	0.454	S	S	*	.	H	α-helix	trans	-68.5	-43	173.9	-86.8	-74.3	0	0	0	112.5	S25 M26 V27 Q31 R32 C33	S25-Y29 WeakPolarHBondContact O-CD2 3.09Å; S25-Y29 PolarHBondContact O-N 3.38Å; M26-Y29 PolarHBondContact O-N 3.16Å; V27-Y29 PolarHBondContact O-N 2.86Å; Y29-Q31 VanDerWaalsContact C-N 3.28Å; Y29-Q31 PolarHBondContact O-N 3.36Å; Y29-R32 PolarHBondContact O-N 3.29Å; Y29-C33 PolarHBondContact O-N 2.94Å
30	A	64.1	Low	63.7	Low	11 Å²	11	94 Å²	94	9%	0.091	46%	0.462	C	S	.	.	H	α-helix	trans	-60.4	-36.9	178	0	0	0	0	0	112.5	I4 M26 V27 R32 C33 M36	I4-A30 HydrophobicContact CG2-CB 4.13Å; M26-A30 WeakPolarHBondContact O-CB 3.41Å; M26-A30 PolarHBondContact O-N 3.12Å; V27-A30 PolarHBondContact O-N 3.23Å; A30-R32 PolarHBondContact O-N 3.04Å; A30-C33 PolarHBondContact O-N 3.05Å; A30-M36 WeakPolarHBondContact O-CB 3.45Å
31	Q	60.4	Low	63.5	Low	101 Å²	101	91.5 Å²	91.5	47%	0.472	46%	0.461	S	S	.	.	H	α-helix	trans	-67.2	-20.6	175.2	-73.7	171.6	-24.6	0	0	114.2	V27 Y29	V27-Q31 WeakPolarHBondContact O-CG 3.43Å; V27-Q31 PolarHBondContact O-N 2.72Å; V27-Q31 VanDerWaalsContact O-N 3.08Å; Y29-Q31 VanDerWaalsContact C-N 3.28Å; Y29-Q31 PolarHBondContact O-N 3.36Å
32	R	65.4	Low	63.2	Low	203 Å²	203	88.5 Å²	88.5	77%	0.766	45%	0.445	S	S	*	.	H	α-helix	trans	-96.8	-4.2	178.5	-67.3	178.9	179.4	-171.6	-0.4	113.2	Y29 A30	Y29-R32 PolarHBondContact O-N 3.29Å; A30-R32 PolarHBondContact O-N 3.04Å
33	C	63.3	Low	62.6	Low	46 Å²	46	93.3 Å²	93.3	31%	0.311	48%	0.476	S	S	.	.			trans	-93.2	117.2	179.7	-179.4	0	0	0	0	110.5	Y29 A30 I35 M36 M37	Y29-C33 PolarHBondContact O-N 2.94Å; A30-C33 PolarHBondContact O-N 3.05Å; C33-I35 VanDerWaalsContact C-N 3.32Å; C33-I35 PolarHBondContact O-N 2.67Å; C33-M36 HydrophobicContact CB-CB 3.97Å; C33-M36 HydrophobicContact CB-CG 3.86Å; C33-M36 PolarHBondContact O-N 3.23Å; C33-M36 VanDerWaalsContact O-N 3.16Å; C33-M37 PolarHBondContact O-N 2.91Å; C33-M37 VanDerWaalsContact O-N 3.14Å
34	P	61	Low	61.7	Low	105 Å²	105	91.2 Å²	91.2	68%	0.682	47%	0.473	S	S	*	.	H	α-helix	trans	-57.2	-42.8	-177.6	-26	35	0	0	0	113.2	M36 M37 E38	P34-M36 VanDerWaalsContact C-N 3.33Å; P34-M36 PolarHBondContact O-N 2.88Å; P34-M37 PolarHBondContact O-N 3Å; P34-E38 PolarHBondContact O-N 2.89Å
35	I	65.6	Low	60.9	Low	115 Å²	115	86.1 Å²	86.1	59%	0.59	47%	0.465	S	S	*	.	H	α-helix	trans	-62.4	-39.8	180	-58.4	172.1	0	0	0	111.2	C33 M37 E38 L39	C33-I35 VanDerWaalsContact C-N 3.32Å; C33-I35 PolarHBondContact O-N 2.67Å; I35-M37 VanDerWaalsContact C-N 3.35Å; I35-E38 PolarHBondContact O-N 2.68Å; I35-L39 HydrophobicContact CG2-CD1 4.21Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 3.23Å
36	M	66.8	Low	59.4	Low	18 Å²	18	89 Å²	89	9%	0.089	48%	0.483	C	S	.	.	H	α-helix	trans	-71.3	-31.2	178.4	-67.6	-57.4	-55.2	0	0	112.5	I4 C8 A30 C33 P34 L39 A40	I4-M36 HydrophobicContact CG2-CB 4.43Å; I4-M36 HydrophobicContact CG2-CE 3.67Å; I4-M36 WeakPolarHBondContact O-CE 3.12Å; C8-M36 HydrophobicContact CB-CE 3.78Å; C8-M36 HydrophobicContact CB-SD 4.01Å; A30-M36 WeakPolarHBondContact O-CB 3.45Å; C33-M36 HydrophobicContact CB-CB 3.97Å; C33-M36 HydrophobicContact CB-CG 3.86Å; C33-M36 PolarHBondContact O-N 3.23Å; C33-M36 VanDerWaalsContact O-N 3.16Å; P34-M36 VanDerWaalsContact C-N 3.33Å; P34-M36 PolarHBondContact O-N 2.88Å; M36-L39 HydrophobicContact SD-CD1 4.28Å; M36-A40 WeakPolarHBondContact O-CB 3.37Å; M36-A40 PolarHBondContact O-N 2.92Å
37	M	68	Low	58.2	Low	96 Å²	96	91.5 Å²	91.5	47%	0.473	50%	0.503	S	S	.	.	H	α-helix	trans	-72.1	-36.6	174.1	-67.7	-63	-67.7	0	0	111.7	C33 P34 I35 A40 S41	C33-M37 PolarHBondContact O-N 2.91Å; C33-M37 VanDerWaalsContact O-N 3.14Å; P34-M37 PolarHBondContact O-N 3Å; I35-M37 VanDerWaalsContact C-N 3.35Å; M37-A40 WeakPolarHBondContact O-CB 3.45Å; M37-A40 PolarHBondContact O-N 3.06Å; M37-S41 PolarHBondContact O-N 3.24Å
38	E	66.9	Low	56.8	Low	113 Å²	113	98.2 Å²	98.2	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-68.6	-36.8	172.9	-162.3	-161.8	141	0	0	112.6	P34 I35 A40 S41 K42	P34-E38 PolarHBondContact O-N 2.89Å; I35-E38 PolarHBondContact O-N 2.68Å; E38-A40 PolarHBondContact O-N 3.3Å; E38-S41 PolarHBondContact O-N 3.08Å; E38-S41 PolarHBondContact O-OG 3.41Å; E38-K42 IonicContact OE1-NZ 3.66Å
39	L	63	Low	55	Low	65 Å²	65	99.8 Å²	99.8	34%	0.34	55%	0.554	S	S	.	*	H	α-helix	trans	-69.4	-17.7	171.7	-74.1	169	0	0	0	113.2	R7 I35 M36	R7-L39 PolarHBondContact NH1-O 3.11Å; I35-L39 HydrophobicContact CG2-CD1 4.21Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 3.23Å; M36-L39 HydrophobicContact SD-CD1 4.28Å
40	A	61.6	Low	53.4	Low	45 Å²	45	103.4 Å²	103.4	37%	0.372	57%	0.566	S	S	.	*	H	α-helix	trans	-87	-23.9	175.8	0	0	0	0	0	113.3	I4 M36 M37 E38	I4-A40 HydrophobicContact CD1-CB 3.87Å; I4-A40 HydrophobicContact CG1-CB 3.89Å; M36-A40 WeakPolarHBondContact O-CB 3.37Å; M36-A40 PolarHBondContact O-N 2.92Å; M37-A40 WeakPolarHBondContact O-CB 3.45Å; M37-A40 PolarHBondContact O-N 3.06Å; E38-A40 PolarHBondContact O-N 3.3Å
41	S	55.8	Low	51.6	Low	92 Å²	92	107.4 Å²	107.4	64%	0.643	60%	0.6	S	S	*	*	H	α-helix	trans	-85.1	-10.8	-178.5	60.8	0	0	0	0	114.5	M37 E38	M37-S41 PolarHBondContact O-N 3.24Å; E38-S41 PolarHBondContact O-N 3.08Å; E38-S41 PolarHBondContact O-OG 3.41Å
42	K	60.8	Low	49.9	Very low	114 Å²	114	110 Å²	110	50%	0.496	62%	0.616	S	S	.	*	S	Bend	trans	-80	126.6	175.2	-66.3	-179.8	-174.5	174.5	0	111.5	R7 E38	R7-K42 PolarHBondContact NH1-O 3.27Å; E38-K42 IonicContact OE1-NZ 3.66Å
43	P	45.3	Very low	47.9	Very low	124 Å²	124	106.3 Å²	106.3	81%	0.805	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-60.7	151.1	-176.8	24.7	-33.7	0	0	0	112.4
44	M	43.6	Very low	46.2	Very low	97 Å²	97	109.2 Å²	109.2	48%	0.478	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-80.7	137.3	176.8	-82	178.4	63	0	0	111.3	V3 R7 S47 M48	V3-M44 HydrophobicContact CG1-SD 4.16Å; V3-M44 HydrophobicContact CG2-SD 4.42Å; R7-M44 VanDerWaalsContact NH2-CG 3.3Å; M44-S47 WeakPolarHBondContact CE-O 3.4Å; M44-M48 HydrophobicContact CE-CB 4.5Å
45	A	44.8	Very low	44.6	Very low	79 Å²	79	109.2 Å²	109.2	65%	0.653	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-62.2	151.5	157.4	0	0	0	0	0	109.9	S47	A45-S47 VanDerWaalsContact C-N 3.34Å; A45-S47 PolarHBondContact O-N 2.88Å
46	P	35	Very low	42.7	Very low	139 Å²	139	109.6 Å²	109.6	90%	0.903	65%	0.651	S	S	*	*	S	Bend	trans	-76.8	77.5	-167	31.4	-36.9	0	0	0	113.3
47	S	36.8	Very low	40.7	Very low	85 Å²	85	113.8 Å²	113.8	59%	0.594	68%	0.682	S	S	*	*	S	Bend	trans	-146.9	147	154	66.1	0	0	0	0	110.2	M44 A45	M44-S47 WeakPolarHBondContact CE-O 3.4Å; A45-S47 VanDerWaalsContact C-N 3.34Å; A45-S47 PolarHBondContact O-N 2.88Å
48	M	36.3	Very low	38.6	Very low	172 Å²	172	115.4 Å²	115.4	85%	0.847	69%	0.693	S	S	*	*			trans	70	72.9	178.7	-53.6	-66.5	164.7	0	0	116.5	M44	M44-M48 HydrophobicContact CE-CB 4.5Å
49	A	28.1	Very low	36.6	Very low	97 Å²	97	118.4 Å²	118.4	80%	0.802	71%	0.707	S	S	*	*			trans	-123.8	107.7	162	0	0	0	0	0	111.6
50	R	28.8	Very low	34.7	Very low	254 Å²	254	124.9 Å²	124.9	96%	0.958	73%	0.732	S	S	*	*			trans	-165.7	151.6	150.4	-120.6	172.9	-180	164.9	0.9	113.8
51	A	26.4	Very low	32.8	Very low	96 Å²	96	130 Å²	130	79%	0.793	76%	0.759	S	S	*	*			trans	71.9	87.6	166	0	0	0	0	0	119.3
52	L	25	Very low	31.3	Very low	155 Å²	155	134.3 Å²	134.3	81%	0.812	77%	0.769	S	S	*	*			trans	-148.1	123.5	151.1	-92.1	174.7	0	0	0	109.6
53	C	24.2	Very low	29.6	Very low	125 Å²	125	137.3 Å²	137.3	85%	0.845	79%	0.788	S	S	*	*			trans	-144.7	148	167.4	-77.9	0	0	0	0	111.1
54	S	26.3	Very low	28.6	Very low	108 Å²	108	141 Å²	141	76%	0.755	79%	0.792	S	S	*	*			trans	53.3	119.1	172.7	46.3	0	0	0	0	119.1
55	S	27.4	Very low	27.6	Very low	104 Å²	104	143.6 Å²	143.6	73%	0.727	81%	0.813	S	S	*	*			cis	84.7	142.4	40.5	84	0	0	0	0	113.2
56	T	26	Very low	26.6	Very low	124 Å²	124	143.4 Å²	143.4	76%	0.761	82%	0.819	S	S	*	*			cis	-170.6	170.2	0.1	6.6	0	0	0	0	113.6
57	S	25.4	Very low	26.1	Very low	105 Å²	105	144.7 Å²	144.7	73%	0.734	82%	0.818	S	S	*	*			trans	86.3	159.3	150.3	90.1	0	0	0	0	118.3
58	N	23.9	Very low	25.4	Very low	131 Å²	131	149.5 Å²	149.5	70%	0.701	83%	0.831	S	S	*	*			cis	-157.6	169.2	-6.8	-138.9	-14.6	0	0	0	115.7
59	Q	24.3	Very low	24.8	Very low	176 Å²	176	145.7 Å²	145.7	82%	0.822	83%	0.827	S	S	*	*			trans	65.4	157.7	147.9	-80.8	172.9	-3.1	0	0	124.6
60	K	22.6	Very low	24.9	Very low	200 Å²	200	147 Å²	147	87%	0.87	83%	0.828	S	S	*	*			trans	-135.6	158	-177.5	-82.7	-177.7	171	-176.1	0	109.7
61	T	22.4	Very low	24.6	Very low	152 Å²	152	141.6 Å²	141.6	93%	0.933	82%	0.822	S	S	*	*			trans	-154.2	166.1	154	-2.4	0	0	0	0	113
62	E	24.8	Very low	24.6	Very low	183 Å²	183	143.7 Å²	143.7	86%	0.855	83%	0.825	S	S	*	*			trans	-102.6	168	-166.8	-49.8	167.7	134.2	0	0	114.2
63	I	24.4	Very low	24.5	Very low	177 Å²	177	139.4 Å²	139.4	91%	0.908	82%	0.818	S	S	*	*			trans	-140.3	152.7	164.7	-64.7	-172.2	0	0	0	112
64	K	23.6	Very low	24.5	Very low	203 Å²	203	140.5 Å²	140.5	88%	0.883	82%	0.821	S	S	*	*			trans	-97.9	178.6	-165.9	-64.2	175.7	174.1	177.9	0	116.3
65	T	24.3	Very low	24.4	Very low	151 Å²	151	143.6 Å²	143.6	93%	0.926	82%	0.823	S	S	*	*			trans	-89.9	168.4	174.6	45.6	0	0	0	0	115.2
66	G	23	Very low	24.3	Very low	74 Å²	74	144.3 Å²	144.3	76%	0.763	83%	0.828	S	S	*	*			trans	-170.4	155	171.7	0	0	0	0	0	113.6
67	N	23.7	Very low	24.3	Very low	167 Å²	167	147.6 Å²	147.6	89%	0.893	83%	0.832	S	S	*	*			trans	-110.3	177.9	-162.8	-94	7.8	0	0	0	116.6
68	E	22.5	Very low	24.5	Very low	186 Å²	186	150.6 Å²	150.6	87%	0.869	84%	0.839	S	S	*	*			trans	-59.8	177.9	175.4	-44.7	169.1	126.5	0	0	114.4
69	A	23.6	Very low	24.7	Very low	91 Å²	91	150.3 Å²	150.3	75%	0.752	84%	0.844	S	S	*	*			cis	-158.7	-159.2	13.3	0	0	0	0	0	108.3
70	P	30.6	Very low	24.8	Very low	126 Å²	126	147.1 Å²	147.1	82%	0.818	85%	0.848	S	S	*	*			cis	-132.3	-168	-11.2	42.5	-23.9	0	0	0	114.6
71	V	23.4	Very low	25.4	Very low	140 Å²	140	141 Å²	141	85%	0.848	84%	0.841	S	S	*	*			trans	-112.4	145.7	-175.4	174.3	0	0	0	0	112.4
72	V	26.1	Very low	25.5	Very low	139 Å²	139	142.6 Å²	142.6	84%	0.842	84%	0.838	S	S	*	*			trans	-130.5	138.1	168.8	179.7	0	0	0	0	109.7
73	G	22.8	Very low	25.7	Very low	66 Å²	66	139.6 Å²	139.6	68%	0.68	84%	0.835	S	S	*	*			trans	-96.4	160.8	-178.4	0	0	0	0	0	114.5
74	V	24.2	Very low	26.1	Very low	148 Å²	148	137.4 Å²	137.4	90%	0.897	83%	0.829	S	S	*	*			trans	-141.2	139.5	172.2	-179.1	0	0	0	0	109.8
75	E	22.7	Very low	26.3	Very low	172 Å²	172	133.5 Å²	133.5	80%	0.804	82%	0.824	S	S	*	*			trans	-74.5	150.6	-176.6	-55.1	169.9	129.3	0	0	113.3
76	S	25.5	Very low	26.4	Very low	120 Å²	120	133 Å²	133	84%	0.839	82%	0.821	S	S	*	*			trans	-97.6	110	173.6	58.3	0	0	0	0	112.2
77	K	27.2	Very low	26.6	Very low	193 Å²	193	136.3 Å²	136.3	84%	0.839	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-89	134.6	167.7	-70.9	-179.1	178.4	175.4	0	110.9
78	L	30	Very low	26.7	Very low	167 Å²	167	131.7 Å²	131.7	87%	0.874	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-89.4	143.1	172.5	-73.7	165.7	0	0	0	111.1
79	P	27.8	Very low	26.9	Very low	125 Å²	125	132.7 Å²	132.7	81%	0.812	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-73	147.1	170.1	-14.6	30.3	0	0	0	112.3
80	A	25.3	Very low	27.2	Very low	109 Å²	109	132.9 Å²	132.9	90%	0.901	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-85.7	146.5	175.2	0	0	0	0	0	111.8
81	G	35.7	Very low	27	Very low	71 Å²	71	134 Å²	134	73%	0.732	83%	0.829	S	S	*	*			trans	154.6	-0.5	168.3	0	0	0	0	0	120
82	H	25.4	Very low	27.1	Very low	186 Å²	186	131.4 Å²	131.4	86%	0.861	82%	0.823	S	S	*	*			trans	-119	133.9	-179	-80.1	-72.6	0	0	0	113.7
83	P	28.1	Very low	27.5	Very low	121 Å²	121	130 Å²	130	79%	0.786	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-80.3	145.7	-179.9	32.4	-34.6	0	0	0	112.8
84	V	31.9	Very low	28	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-95	130.8	176.6	179.9	0	0	0	0	109.8
85	P	28.1	Very low	28.3	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.7	135.2	172.3	-14.3	29.8	0	0	0	112.1
86	T	27	Very low	28.8	Very low	141 Å²	141	131 Å²	131	87%	0.865	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-82.9	160.7	177.2	39.7	0	0	0	0	113.2	G88	T86-G88 PolarHBondContact O-N 3.01Å
87	T	26.8	Very low	29.2	Very low	143 Å²	143	132.6 Å²	132.6	88%	0.877	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-77.4	116.8	-176.7	46.7	0	0	0	0	113.8
88	G	27	Very low	29.5	Very low	71 Å²	71	129.1 Å²	129.1	73%	0.732	79%	0.793	S	S	*	*			trans	47.1	125.5	141	0	0	0	0	0	122.2	T86	T86-G88 PolarHBondContact O-N 3.01Å
89	Q	25.8	Very low	29.8	Very low	207 Å²	207	125.3 Å²	125.3	97%	0.967	79%	0.786	S	S	*	*				-166.9	167.8	119.5	-108.2	179.7	5.4	0	0	112
90	A	29.7	Very low	30.2	Very low	95 Å²	95	123.1 Å²	123.1	79%	0.785	78%	0.778	S	S	*	*			trans	-91.8	147.4	-167.3	0	0	0	0	0	114.1
91	V	26.6	Very low	30.7	Very low	148 Å²	148	124.7 Å²	124.7	90%	0.897	77%	0.767	S	S	*	*			trans	-132.8	113.1	155.2	-179.4	0	0	0	0	108.4
92	A	26	Very low	30.7	Very low	86 Å²	86	129.5 Å²	129.5	71%	0.711	77%	0.772	S	S	*	*			trans	-96.2	159.6	172.3	0	0	0	0	0	111.1
93	S	34.7	Very low	31.3	Very low	109 Å²	109	130 Å²	130	76%	0.762	77%	0.772	S	S	*	*			trans	74.6	116.4	170.7	79.1	0	0	0	0	118.2
94	K	33	Very low	31.7	Very low	208 Å²	208	133.1 Å²	133.1	90%	0.904	78%	0.776	S	S	*	*				-177.2	92.7	116.6	-97.1	169.3	-176	179.3	0	110.5
95	C	30	Very low	31.9	Very low	75 Å²	75	136.2 Å²	136.2	51%	0.507	78%	0.779	S	S	.	*			trans	-143.9	120.8	160.6	-176.5	0	0	0	0	108.6	F97 L98	C95-F97 PolarHBondContact O-N 3.38Å; C95-F97 VanDerWaalsContact O-N 3.16Å; C95-L98 HydrophobicContact CB-CD1 4.49Å; C95-L98 PolarHBondContact O-N 3.04Å
96	P	34.3	Very low	32.5	Very low	124 Å²	124	138.2 Å²	138.2	81%	0.805	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-65.4	-15.7	-177.1	-20.3	32.1	0	0	0	114.6
97	F	32.1	Very low	33.2	Very low	154 Å²	154	135 Å²	135	68%	0.675	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-70	-34.3	-179	-164.6	-103.1	0	0	0	112.9	C95 A99	C95-F97 PolarHBondContact O-N 3.38Å; C95-F97 VanDerWaalsContact O-N 3.16Å; F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 3.26Å
98	L	35.3	Very low	33.6	Very low	121 Å²	121	131 Å²	131	63%	0.634	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-79.5	-5.5	-173.9	-76.2	165.3	0	0	0	114.8	C95	C95-L98 HydrophobicContact CB-CD1 4.49Å; C95-L98 PolarHBondContact O-N 3.04Å
99	A	36.3	Very low	34.1	Very low	87 Å²	87	132.3 Å²	132.3	72%	0.719	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-84.2	-18.2	177.2	0	0	0	0	0	113.4	F97	F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 3.26Å
100	A	34.6	Very low	34.5	Very low	78 Å²	78	126.9 Å²	126.9	65%	0.645	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-34.5	-176	0	0	0	0	0	113.4	M102	A100-M102 PolarHBondContact O-N 3.1Å
101	E	35.3	Very low	34.9	Very low	142 Å²	142	132.2 Å²	132.2	66%	0.664	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-82.7	-8.1	-173.4	-69.2	-162.3	131.1	0	0	115.2	K103	E101-K103 PolarHBondContact O-N 3.5Å; E101-K103 VanDerWaalsContact O-N 3.13Å
102	M	35.8	Very low	35.5	Very low	173 Å²	173	131.6 Å²	131.6	85%	0.852	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-74.6	4.7	175.8	-80.5	-161.1	161.2	0	0	114.8	A100	A100-M102 PolarHBondContact O-N 3.1Å
103	K	38.1	Very low	36	Very low	197 Å²	197	131 Å²	131	86%	0.857	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-106.8	-1.6	-178.6	-102.4	-176.4	176.5	-178.9	0	116.7	E101	E101-K103 PolarHBondContact O-N 3.5Å; E101-K103 VanDerWaalsContact O-N 3.13Å
104	Q	37.4	Very low	36	Very low	185 Å²	185	129.5 Å²	129.5	86%	0.864	69%	0.689	S	S	*	*			trans	-125.5	87.3	174.2	-72.8	-169.4	-10.9	0	0	112.3	N106	Q104-N106 PolarHBondContact O-N 2.94Å
105	K	36.7	Very low	36.2	Very low	195 Å²	195	125 Å²	125	85%	0.848	67%	0.672	S	S	*	*			trans	-82.1	96.3	166.7	-72.6	-177	177.3	179.4	0	110
106	N	40.4	Very low	36.8	Very low	164 Å²	164	126.7 Å²	126.7	88%	0.877	67%	0.672	S	S	*	*			trans	163.4	94.7	138.2	-85.2	-12.8	0	0	0	111.7	Q104	Q104-N106 PolarHBondContact O-N 2.94Å
107	S	40.4	Very low	36.9	Very low	74 Å²	74	126 Å²	126	52%	0.517	66%	0.657	S	S	.	*			trans	-136.5	135	150.4	78.8	0	0	0	0	109.1	V109	S107-V109 PolarHBondContact O-N 3.08Å
108	G	35.8	Very low	37.2	Very low	58 Å²	58	124.6 Å²	124.6	60%	0.598	65%	0.653	S	S	*	*	H	α-helix	trans	-65.4	-29.4	-179	0	0	0	0	0	112.8	V110 R111 Q112	G108-V110 PolarHBondContact O-N 2.98Å; G108-R111 WeakPolarHBondContact O-CB 3.32Å; G108-R111 PolarHBondContact O-N 3.45Å; G108-R111 VanDerWaalsContact O-N 3.13Å; G108-Q112 PolarHBondContact O-N 3.5Å
109	V	36.8	Very low	37.6	Very low	99 Å²	99	122.2 Å²	122.2	60%	0.6	64%	0.638	S	S	*	*	H	α-helix	trans	-58.3	-46.2	-176.2	-176.3	0	0	0	0	112.1	S107 R111 Q112 V113	S107-V109 PolarHBondContact O-N 3.08Å; V109-R111 PolarHBondContact O-N 3.07Å; V109-Q112 PolarHBondContact O-N 2.89Å; V109-Q112 VanDerWaalsContact O-N 3.17Å; V109-V113 HydrophobicContact CG1-CG2 4.42Å; V109-V113 WeakPolarHBondContact O-CG2 3.47Å; V109-V113 PolarHBondContact O-N 3.13Å; V109-V113 VanDerWaalsContact O-N 3.08Å
110	V	36	Very low	37.6	Very low	92 Å²	92	123 Å²	123	56%	0.558	63%	0.631	S	S	*	*	H	α-helix	trans	-63.6	-31.3	-179.3	177.2	0	0	0	0	111.6	G108 T114	G108-V110 PolarHBondContact O-N 2.98Å; V110-T114 WeakPolarHBondContact O-CB 3.35Å; V110-T114 PolarHBondContact O-N 2.98Å; V110-T114 VanDerWaalsContact O-N 3.12Å; V110-T114 PolarHBondContact O-OG1 3.32Å
111	R	37	Very low	37.7	Very low	208 Å²	208	122.7 Å²	122.7	79%	0.785	62%	0.62	S	S	*	*	H	α-helix	trans	-73.4	-30.9	179.7	-152.3	175.6	-171.6	-179.6	1.1	112.3	G108 V109 M115	G108-R111 WeakPolarHBondContact O-CB 3.32Å; G108-R111 PolarHBondContact O-N 3.45Å; G108-R111 VanDerWaalsContact O-N 3.13Å; V109-R111 PolarHBondContact O-N 3.07Å; R111-M115 WeakPolarHBondContact O-CG 3.44Å
112	Q	40	Very low	37.8	Very low	134 Å²	134	122 Å²	122	63%	0.626	62%	0.617	S	S	*	*	H	α-helix	trans	-72.5	-52.3	175.5	-132.9	159.1	-17.9	0	0	110.6	G108 V109 T114 M115 E116	G108-Q112 PolarHBondContact O-N 3.5Å; V109-Q112 PolarHBondContact O-N 2.89Å; V109-Q112 VanDerWaalsContact O-N 3.17Å; Q112-T114 PolarHBondContact O-N 3.35Å; Q112-T114 VanDerWaalsContact O-N 3.17Å; Q112-M115 PolarHBondContact O-N 2.87Å; Q112-E116 WeakPolarHBondContact O-CG 3.35Å; Q112-E116 PolarHBondContact O-N 3.43Å
113	V	35.1	Very low	38.1	Very low	74 Å²	74	118.1 Å²	118.1	45%	0.448	60%	0.597	S	S	.	*	H	α-helix	trans	-61.7	-26.2	178.9	177.3	0	0	0	0	113.2	V109	V109-V113 HydrophobicContact CG1-CG2 4.42Å; V109-V113 WeakPolarHBondContact O-CG2 3.47Å; V109-V113 PolarHBondContact O-N 3.13Å; V109-V113 VanDerWaalsContact O-N 3.08Å
114	T	35.3	Very low	38	Very low	78 Å²	78	113.3 Å²	113.3	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-76.4	-31.7	176.1	-53.8	0	0	0	0	112.7	V110 Q112	V110-T114 WeakPolarHBondContact O-CB 3.35Å; V110-T114 PolarHBondContact O-N 2.98Å; V110-T114 VanDerWaalsContact O-N 3.12Å; V110-T114 PolarHBondContact O-OG1 3.32Å; Q112-T114 PolarHBondContact O-N 3.35Å; Q112-T114 VanDerWaalsContact O-N 3.17Å
115	M	38.3	Very low	37.8	Very low	114 Å²	114	112.9 Å²	112.9	56%	0.562	57%	0.574	S	S	*	*	H	α-helix	trans	-72.4	-41.5	174.9	-59.5	-130.9	-46.1	0	0	111.3	R111 Q112 F117 Q118 E119	R111-M115 WeakPolarHBondContact O-CG 3.44Å; Q112-M115 PolarHBondContact O-N 2.87Å; M115-F117 PolarHBondContact O-N 3.36Å; M115-Q118 PolarHBondContact O-N 2.65Å; M115-E119 PolarHBondContact O-N 3.31Å
116	E	41.2	Very low	37.8	Very low	109 Å²	109	107.5 Å²	107.5	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-53.5	-22.6	176.7	-70.2	165	-169.1	0	0	113.7	Q112	Q112-E116 WeakPolarHBondContact O-CG 3.35Å; Q112-E116 PolarHBondContact O-N 3.43Å
117	F	37.8	Very low	37.6	Very low	109 Å²	109	104.4 Å²	104.4	48%	0.478	55%	0.545	S	S	.	.	H	α-helix	trans	-94.9	-19.8	177.6	-175.4	-117.2	0	0	0	114.8	M115	M115-F117 PolarHBondContact O-N 3.36Å
118	Q	37.2	Very low	37.4	Very low	126 Å²	126	108.6 Å²	108.6	59%	0.589	56%	0.556	S	S	*	*	H	α-helix	trans	-81.8	-33.6	177.9	-70.8	-173.8	-38.2	0	0	111.7	M115 D120 V121 E122	M115-Q118 PolarHBondContact O-N 2.65Å; Q118-D120 PolarHBondContact O-N 3.15Å; Q118-V121 PolarHBondContact O-N 2.75Å; Q118-E122 PolarHBondContact O-N 3.43Å
119	E	44.5	Very low	37.3	Very low	70 Å²	70	114.4 Å²	114.4	33%	0.327	57%	0.565	S	S	.	*	H	α-helix	trans	-61.4	-44.2	-179.7	-66.2	177.2	-174.1	0	0	112.4	M115 V121 E122 E123 R485	M115-E119 PolarHBondContact O-N 3.31Å; E119-V121 VanDerWaalsContact C-N 3.25Å; E119-V121 PolarHBondContact O-N 3.44Å; E119-E122 PolarHBondContact O-N 2.97Å; E119-E123 PolarHBondContact O-N 2.71Å; E119-E123 VanDerWaalsContact O-N 3.17Å; E119-R485 IonicContact OE2-NH2 3.65Å
120	D	35.5	Very low	37.4	Very low	105 Å²	105	118.3 Å²	118.3	56%	0.561	58%	0.577	S	S	*	*	H	α-helix	trans	-61.5	-27.9	177.6	-80	-6.6	0	0	0	113.7	Q118	Q118-D120 PolarHBondContact O-N 3.15Å
121	V	37.9	Very low	37.3	Very low	71 Å²	71	120 Å²	120	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-89.8	-23.6	-178.9	-178.5	0	0	0	0	111.8	Q118 E119	Q118-V121 PolarHBondContact O-N 2.75Å; E119-V121 VanDerWaalsContact C-N 3.25Å; E119-V121 PolarHBondContact O-N 3.44Å
122	E	36.9	Very low	36.9	Very low	127 Å²	127	115.5 Å²	115.5	59%	0.593	58%	0.582	S	S	*	*	H	α-helix	trans	-83.2	-26.2	175.4	-69.9	-160.5	144.2	0	0	113.7	Q118 E119 V124 R125 T126	Q118-E122 PolarHBondContact O-N 3.43Å; E119-E122 PolarHBondContact O-N 2.97Å; E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.07Å; E122-R125 PolarHBondContact O-N 3Å; E122-T126 PolarHBondContact O-N 3.16Å; E122-T126 PolarHBondContact O-OG1 3.47Å
123	E	42.5	Very low	36.6	Very low	92 Å²	92	115 Å²	115	43%	0.43	59%	0.59	S	S	.	*	H	α-helix	trans	-54.3	-45.7	174.4	-171.9	179.4	-170.7	0	0	111.2	E119 R125 V127	E119-E123 PolarHBondContact O-N 2.71Å; E119-E123 VanDerWaalsContact O-N 3.17Å; E123-R125 PolarHBondContact O-N 2.78Å; E123-V127 WeakPolarHBondContact O-CG2 3.44Å; E123-V127 PolarHBondContact O-N 3.16Å
124	V	36.2	Very low	36.3	Very low	96 Å²	96	115.8 Å²	115.8	58%	0.582	60%	0.604	S	S	*	*	H	α-helix	trans	-64.8	-27.1	179	-177.3	0	0	0	0	112.6	E122	E122-V124 VanDerWaalsContact C-N 3.3Å; E122-V124 PolarHBondContact O-N 3.07Å
125	R	32.7	Very low	36	Very low	175 Å²	175	122.1 Å²	122.1	66%	0.66	63%	0.625	S	S	*	*	H	α-helix	trans	-99.3	-26	-172.7	-70.8	-180	169.8	-176.4	-0.8	114.5	E122 E123	E122-R125 PolarHBondContact O-N 3Å; E123-R125 PolarHBondContact O-N 2.78Å
126	T	35.3	Very low	35.4	Very low	82 Å²	82	124.8 Å²	124.8	50%	0.503	64%	0.641	S	S	.	*	H	α-helix	trans	-84.7	-43.6	179.9	45.2	0	0	0	0	111.8	E122 Q128 K129	E122-T126 PolarHBondContact O-N 3.16Å; E122-T126 PolarHBondContact O-OG1 3.47Å; T126-Q128 PolarHBondContact O-N 3.45Å; T126-K129 PolarHBondContact O-N 2.73Å
127	V	38.1	Very low	34.8	Very low	100 Å²	100	129.2 Å²	129.2	61%	0.606	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-28.4	178.5	178.9	0	0	0	0	112.3	E123	E123-V127 WeakPolarHBondContact O-CG2 3.44Å; E123-V127 PolarHBondContact O-N 3.16Å
128	Q	36.1	Very low	34.3	Very low	161 Å²	161	133.1 Å²	133.1	75%	0.752	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-13.4	175.1	-70.5	-172.1	-9.4	0	0	114.8	T126	T126-Q128 PolarHBondContact O-N 3.45Å
129	K	33.4	Very low	33.8	Very low	181 Å²	181	132.6 Å²	132.6	79%	0.787	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-18.5	-170	-96.4	-175.6	174	-177.9	0	116	T126	T126-K129 PolarHBondContact O-N 2.73Å
130	E	37.7	Very low	32.9	Very low	181 Å²	181	134.9 Å²	134.9	85%	0.846	71%	0.71	S	S	*	*	S	Bend	trans	-109.4	10	-171.9	-63.3	-158.5	152.3	0	0	115.5
131	I	34.5	Very low	32.5	Very low	126 Å²	126	137.8 Å²	137.8	65%	0.646	72%	0.724	S	S	*	*			trans	-125.8	102	-179.7	-53.8	-179.2	0	0	0	111.4
132	S	29.1	Very low	31.8	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	74%	0.741	S	S	*	*			trans	-67.3	124	166.1	-61.5	0	0	0	0	110.2	A134	S132-A134 PolarHBondContact O-N 2.83Å
133	P	32.6	Very low	31.3	Very low	125 Å²	125	141.8 Å²	141.8	81%	0.812	75%	0.75	S	S	*	*			trans	-75.6	109.4	-172.6	28.1	-34.2	0	0	0	112.6
134	A	29.2	Very low	30.5	Very low	90 Å²	90	143.8 Å²	143.8	74%	0.744	77%	0.769	S	S	*	*			trans	-76.5	132.3	166.7	0	0	0	0	0	110.6	S132 L136	S132-A134 PolarHBondContact O-N 2.83Å; A134-L136 PolarHBondContact O-N 2.92Å; A134-L136 VanDerWaalsContact O-N 3.17Å
135	K	28.5	Very low	30.1	Very low	211 Å²	211	144.3 Å²	144.3	92%	0.917	78%	0.777	S	S	*	*			trans	-67.7	109.5	-174.2	-65.7	177.9	177.8	176.2	0	112.3
136	L	27.5	Very low	29.8	Very low	169 Å²	169	145.8 Å²	145.8	89%	0.885	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-98.1	132.9	163.3	-88	142.6	0	0	0	110	A134	A134-L136 PolarHBondContact O-N 2.92Å; A134-L136 VanDerWaalsContact O-N 3.17Å
137	K	27.1	Very low	29.7	Very low	202 Å²	202	149.3 Å²	149.3	88%	0.878	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84	130.7	178.9	-67.7	179.6	177.3	179.8	0	110.1
138	Q	27	Very low	29.2	Very low	192 Å²	192	147.6 Å²	147.6	90%	0.897	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.7	139.7	168.1	-69.6	179.7	-19.9	0	0	111
139	P	28.2	Very low	29	Very low	115 Å²	115	149.4 Å²	149.4	75%	0.747	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-93.7	134.7	155.9	33.1	-26.8	0	0	0	110.9
140	S	25.1	Very low	29.4	Very low	118 Å²	118	149.7 Å²	149.7	83%	0.825	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.5	129.5	172.1	51.1	0	0	0	0	111.4
141	L	26.8	Very low	29.4	Very low	166 Å²	166	143.8 Å²	143.8	87%	0.869	81%	0.811	S	S	*	*			trans	-104.2	122.2	174	-82.9	163.1	0	0	0	111
142	T	23	Very low	29.9	Very low	127 Å²	127	143 Å²	143	78%	0.779	81%	0.809	S	S	*	*			trans	-98.5	114.1	169.7	-49.6	0	0	0	0	108.7
143	I	27	Very low	30.7	Very low	154 Å²	154	139.2 Å²	139.2	79%	0.79	78%	0.779	S	S	*	*			trans	-78.1	127.9	179.6	-61.4	169.3	0	0	0	109.6
144	T	24.7	Very low	31.2	Very low	135 Å²	135	138.9 Å²	138.9	83%	0.828	77%	0.769	S	S	*	*			trans	-124.7	118.1	160.2	48	0	0	0	0	109.3
145	S	28.7	Very low	32	Very low	106 Å²	106	142 Å²	142	74%	0.741	77%	0.765	S	S	*	*			trans	-87.9	127.8	-177.8	45.4	0	0	0	0	111.2
146	K	27.1	Very low	33.1	Very low	207 Å²	207	133.9 Å²	133.9	90%	0.9	73%	0.733	S	S	*	*			trans	-132.3	110.4	156.6	-78.5	-167.1	174.7	-177.3	0	109.3	G148	K146-G148 PolarHBondContact O-N 3.3Å
147	V	32.4	Very low	33.9	Very low	155 Å²	155	127.2 Å²	127.2	94%	0.939	70%	0.698	S	S	*	*			trans	-71.6	120.6	172.3	177.9	0	0	0	0	107.9
148	G	28.4	Very low	34.8	Very low	64 Å²	64	121.9 Å²	121.9	66%	0.66	68%	0.679	S	S	*	*			trans	-121	145.1	176.6	0	0	0	0	0	110.9	K146	K146-G148 PolarHBondContact O-N 3.3Å
149	E	31.4	Very low	35.8	Very low	199 Å²	199	119.8 Å²	119.8	93%	0.93	67%	0.667	S	S	*	*			trans	-50.7	144.1	-165.9	-61.7	170.2	126	0	0	116.1	G151	E149-G151 PolarHBondContact O-N 2.68Å
150	Q	42.6	Very low	36.8	Very low	188 Å²	188	119.7 Å²	119.7	88%	0.879	66%	0.657	S	S	*	*			trans	-68.2	86.2	176	-73.3	178.7	-20.5	0	0	112	N152	Q150-N152 PolarHBondContact O-N 2.91Å
151	G	36.6	Very low	38.2	Very low	56 Å²	56	120.6 Å²	120.6	58%	0.577	64%	0.642	S	S	*	*			trans	-73.3	110.8	172.5	0	0	0	0	0	112.6	E149 L153	E149-G151 PolarHBondContact O-N 2.68Å; G151-L153 PolarHBondContact O-N 2.77Å
152	N	45.5	Very low	39.6	Very low	110 Å²	110	117.5 Å²	117.5	59%	0.588	63%	0.631	S	S	*	*			trans	-34	118.8	175.9	-174	-22.9	0	0	0	113.5	Q150 M154 K155	Q150-N152 PolarHBondContact O-N 2.91Å; N152-M154 PolarHBondContact O-N 3.16Å; N152-M154 VanDerWaalsContact O-N 3.11Å; N152-M154 PolarHBondContact OD1-N 2.76Å; N152-K155 WeakPolarHBondContact O-CB 3.47Å; N152-K155 PolarHBondContact O-N 3.31Å
153	L	44.6	Very low	41.5	Very low	35 Å²	35	121.9 Å²	121.9	18%	0.183	64%	0.64	C	S	.	*	H	α-helix	trans	-54.7	-36.8	-169.6	-165.8	73.1	0	0	0	112.8	G151 K155 T156 L157 D528	G151-L153 PolarHBondContact O-N 2.77Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 3.5Å; L153-T156 PolarHBondContact O-N 3.15Å; L153-L157 HydrophobicContact CD2-CD1 3.97Å; L153-L157 HydrophobicContact CG-CD1 3.73Å; L153-L157 HydrophobicContact CG-CG 4.16Å; L153-L157 WeakPolarHBondContact O-CG 3.25Å; L153-L157 PolarHBondContact O-N 3.48Å; L153-D528 WeakPolarHBondContact CD2-OD2 3.47Å
154	M	43.6	Very low	43.3	Very low	118 Å²	118	124.5 Å²	124.5	58%	0.581	64%	0.64	S	S	*	*	H	α-helix	trans	-53	-42.8	173.3	-104.8	-79.4	-172.5	0	0	112.8	N152 L157 L158	N152-M154 PolarHBondContact O-N 3.16Å; N152-M154 VanDerWaalsContact O-N 3.11Å; N152-M154 PolarHBondContact OD1-N 2.76Å; M154-L157 PolarHBondContact O-N 2.86Å; M154-L158 WeakPolarHBondContact O-CB 3.23Å; M154-L158 WeakPolarHBondContact O-CD1 3.46Å; M154-L158 VanDerWaalsContact O-CG 3.25Å; M154-L158 WeakPolarHBondContact O-CG 3.47Å; M154-L158 PolarHBondContact O-N 3.04Å
155	K	46.8	Very low	45.8	Very low	156 Å²	156	122.7 Å²	122.7	68%	0.678	63%	0.628	S	S	*	*	H	α-helix	trans	-69.1	-32.1	178	-78.1	-175.5	174.4	177.9	0	112.7	N152 L153	N152-K155 WeakPolarHBondContact O-CB 3.47Å; N152-K155 PolarHBondContact O-N 3.31Å; L153-K155 VanDerWaalsContact C-N 3.3Å; L153-K155 PolarHBondContact O-N 3.5Å
156	T	50.5	Low	48.3	Very low	40 Å²	40	123.7 Å²	123.7	25%	0.245	63%	0.63	C	S	.	*	H	α-helix	trans	-76	-39.1	177.8	-59.1	0	0	0	0	111	L153 K159	L153-T156 PolarHBondContact O-N 3.15Å; T156-K159 WeakPolarHBondContact O-CB 3.43Å; T156-K159 WeakPolarHBondContact O-CG 3.45Å; T156-K159 PolarHBondContact O-N 2.8Å; T156-K159 VanDerWaalsContact O-N 3.12Å
157	L	44.3	Very low	51.1	Low	28 Å²	28	119 Å²	119	15%	0.147	61%	0.611	C	S	.	*	H	α-helix	trans	-74.9	-28.1	179.2	-63.4	176.9	0	0	0	113	L153 M154 K159 Q160 V201	L153-L157 HydrophobicContact CD2-CD1 3.97Å; L153-L157 HydrophobicContact CG-CD1 3.73Å; L153-L157 HydrophobicContact CG-CG 4.16Å; L153-L157 WeakPolarHBondContact O-CG 3.25Å; L153-L157 PolarHBondContact O-N 3.48Å; M154-L157 PolarHBondContact O-N 2.86Å; L157-K159 PolarHBondContact O-N 3.45Å; L157-K159 VanDerWaalsContact O-N 3.15Å; L157-Q160 WeakPolarHBondContact O-CB 3.5Å; L157-Q160 WeakPolarHBondContact O-CG 3.22Å; L157-Q160 PolarHBondContact O-N 3.44Å; L157-V201 HydrophobicContact CB-CG1 4.06Å; L157-V201 HydrophobicContact CB-CG2 4.42Å; L157-V201 HydrophobicContact CD1-CB 3.84Å; L157-V201 HydrophobicContact CD1-CG1 3.69Å; L157-V201 HydrophobicContact CD1-CG2 4.12Å; L157-V201 HydrophobicContact CD2-CG1 3.61Å; L157-V201 HydrophobicContact CG-CG1 3.94Å
158	L	46.6	Very low	53.7	Low	90 Å²	90	114.4 Å²	114.4	47%	0.471	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-60.1	-18.7	166.8	-78.2	165.1	0	0	0	113.4	M154 Q160 R161	M154-L158 WeakPolarHBondContact O-CB 3.23Å; M154-L158 WeakPolarHBondContact O-CD1 3.46Å; M154-L158 VanDerWaalsContact O-CG 3.25Å; M154-L158 WeakPolarHBondContact O-CG 3.47Å; M154-L158 PolarHBondContact O-N 3.04Å; L158-Q160 PolarHBondContact O-N 2.9Å; L158-R161 PolarHBondContact O-N 3.25Å
159	K	47.5	Very low	56.5	Low	148 Å²	148	115 Å²	115	64%	0.643	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-73.3	-2.8	171.8	-54.2	171.9	-178	168.5	0	113.8	T156 L157 R161	T156-K159 WeakPolarHBondContact O-CB 3.43Å; T156-K159 WeakPolarHBondContact O-CG 3.45Å; T156-K159 PolarHBondContact O-N 2.8Å; T156-K159 VanDerWaalsContact O-N 3.12Å; L157-K159 PolarHBondContact O-N 3.45Å; L157-K159 VanDerWaalsContact O-N 3.15Å; K159-R161 PolarHBondContact O-N 2.8Å
160	Q	50.1	Low	59.1	Low	114 Å²	114	109.9 Å²	109.9	53%	0.533	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-70.5	-17.9	170.6	-70	-172.9	-6.5	0	0	112.8	L157 L158	L157-Q160 WeakPolarHBondContact O-CB 3.5Å; L157-Q160 WeakPolarHBondContact O-CG 3.22Å; L157-Q160 PolarHBondContact O-N 3.44Å; L158-Q160 PolarHBondContact O-N 2.9Å
161	R	53.8	Low	61.2	Low	137 Å²	137	105.7 Å²	105.7	52%	0.517	53%	0.529	S	S	.	.	S	Bend	trans	-65.1	126.9	162.1	-79.2	-171.7	171	-155.8	-8.8	108.3	L158 K159 K163 E187	L158-R161 PolarHBondContact O-N 3.25Å; K159-R161 PolarHBondContact O-N 2.8Å; R161-K163 PolarHBondContact O-N 2.89Å; R161-E187 IonicContact CZ-OE1 3.73Å; R161-E187 IonicContact NH1-OE1 2.74Å; R161-E187 PolarHBondContact NH1-OE1 2.95Å; R161-E187 IonicContact NH2-OE1 2.79Å; R161-E187 PolarHBondContact NH2-OE1 3.41Å
162	P	55.9	Low	63.7	Low	100 Å²	100	108.6 Å²	108.6	65%	0.649	53%	0.531	S	S	*	.			trans	-56.4	134.3	174.4	24	-32.9	0	0	0	108.9	R164	P162-R164 PolarHBondContact O-N 3.07Å
163	K	62.4	Low	65.5	Low	220 Å²	220	106.2 Å²	106.2	96%	0.957	52%	0.518	S	S	*	.	S	Bend	trans	-55.8	-12.4	-176.8	-68.2	-177.5	-179.9	175.9	0	114.3	R161	R161-K163 PolarHBondContact O-N 2.89Å
164	R	65.8	Low	67.2	Low	208 Å²	208	111.6 Å²	111.6	79%	0.785	55%	0.546	S	S	*	.	S	Bend	trans	-136.9	121.6	175.9	-171.7	176	-174.7	179.5	3	108.5	P162 T166	P162-R164 PolarHBondContact O-N 3.07Å; R164-T166 PolarHBondContact O-N 2.91Å
165	V	76.4	Confident	68.4	Low	98 Å²	98	109.9 Å²	109.9	59%	0.594	56%	0.558	S	S	*	*			trans	-64	128	164.7	178.4	0	0	0	0	107.4	H167 L168	V165-H167 WeakPolarHBondContact CG1-O 3.45Å; V165-L168 HydrophobicContact CG1-CD2 3.8Å; V165-L168 HydrophobicContact CG1-CG 4.1Å
166	T	81.8	Confident	69	Low	127 Å²	127	114 Å²	114	78%	0.779	57%	0.57	S	S	*	*			trans	-83.1	-37.4	-178.2	54.1	0	0	0	0	112.1	R164	R164-T166 PolarHBondContact O-N 2.91Å
167	H	85.7	Confident	69.6	Low	107 Å²	107	119.2 Å²	119.2	50%	0.495	59%	0.593	S	S	.	*			trans	-166	162.1	170.9	65.4	-60	0	0	0	108.5	V165 D171	V165-H167 WeakPolarHBondContact CG1-O 3.45Å; H167-D171 WeakPolarHBondContact CA-OD2 3.09Å
168	L	86.3	Confident	70.7	Confident	60 Å²	60	124 Å²	124	31%	0.314	63%	0.629	S	S	.	*			trans	-105.1	160.5	168.1	-63.4	172	0	0	0	110	V165 Q170 D171 D183	V165-L168 HydrophobicContact CG1-CD2 3.8Å; V165-L168 HydrophobicContact CG1-CG 4.1Å; L168-Q170 VanDerWaalsContact C-N 3.27Å; L168-Q170 HydrophobicContact CB-CG 3.79Å; L168-Q170 HydrophobicContact CD1-CG 4.28Å; L168-Q170 VanDerWaalsContact CD1-NE2 3.33Å; L168-Q170 PolarHBondContact O-N 3.27Å; L168-D171 PolarHBondContact N-OD2 3.39Å; L168-D171 WeakPolarHBondContact O-CB 3.38Å; L168-D171 PolarHBondContact O-N 2.85Å; L168-D183 HydrophobicContact CD2-CB 4.46Å
169	L	88.3	Confident	72.2	Confident	76 Å²	76	124.3 Å²	124.3	40%	0.398	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-63.8	-38	176.5	-66.2	175.8	0	0	0	111	D171 N172 D183 F186	L169-D171 PolarHBondContact O-N 3.41Å; L169-N172 PolarHBondContact O-N 2.81Å; L169-D183 WeakPolarHBondContact CB-OD2 3.24Å; L169-D183 PolarHBondContact N-OD1 2.9Å; L169-D183 PolarHBondContact N-OD2 3.38Å; L169-D183 VanDerWaalsContact N-OD2 3.15Å; L169-F186 HydrophobicContact CD1-CD2 4.14Å; L169-F186 HydrophobicContact CD1-CE2 3.78Å
170	Q	85.5	Confident	74.1	Confident	92 Å²	92	122.7 Å²	122.7	43%	0.43	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-58	-27.5	175.3	65.8	-179.4	6.9	0	0	114.6	L168 N172 L173 D183	L168-Q170 VanDerWaalsContact C-N 3.27Å; L168-Q170 HydrophobicContact CB-CG 3.79Å; L168-Q170 HydrophobicContact CD1-CG 4.28Å; L168-Q170 VanDerWaalsContact CD1-NE2 3.33Å; L168-Q170 PolarHBondContact O-N 3.27Å; Q170-N172 PolarHBondContact O-N 3.16Å; Q170-N172 VanDerWaalsContact O-N 3.16Å; Q170-L173 WeakPolarHBondContact O-CB 3.47Å; Q170-L173 PolarHBondContact O-N 3.25Å; Q170-D183 PolarHBondContact N-OD2 3.22Å
171	D	87.6	Confident	76.1	Confident	100 Å²	100	122.9 Å²	122.9	54%	0.535	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-64	-23.1	-179.8	-59.2	-17.4	0	0	0	111.9	H167 L168 L169	H167-D171 WeakPolarHBondContact CA-OD2 3.09Å; L168-D171 PolarHBondContact N-OD2 3.39Å; L168-D171 WeakPolarHBondContact O-CB 3.38Å; L168-D171 PolarHBondContact O-N 2.85Å; L169-D171 PolarHBondContact O-N 3.41Å
172	N	87.9	Confident	77.8	Confident	117 Å²	117	121.5 Å²	121.5	63%	0.626	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-87.2	0.3	177.3	-62.9	-66.5	0	0	0	113.5	L169 Q170	L169-N172 PolarHBondContact O-N 2.81Å; Q170-N172 PolarHBondContact O-N 3.16Å; Q170-N172 VanDerWaalsContact O-N 3.16Å
173	L	83.9	Confident	79.5	Confident	59 Å²	59	117.9 Å²	117.9	31%	0.309	59%	0.588	S	S	.	*	S	Bend	trans	-109.3	113.5	-169.2	-54.3	-179.1	0	0	0	112.7	Q170 G175 R179 Y182	Q170-L173 WeakPolarHBondContact O-CB 3.47Å; Q170-L173 PolarHBondContact O-N 3.25Å; L173-G175 PolarHBondContact O-N 3.32Å; L173-G175 VanDerWaalsContact O-N 3.07Å; L173-R179 VanDerWaalsContact C-NH1 3.29Å; L173-R179 PolarHBondContact O-NH1 2.94Å; L173-R179 VanDerWaalsContact O-NH1 3.16Å; L173-Y182 HydrophobicContact CD1-CD2 4.05Å; L173-Y182 HydrophobicContact CD1-CE2 4.15Å
174	L	80.1	Confident	80.9	Confident	149 Å²	149	110.9 Å²	110.9	78%	0.78	56%	0.561	S	S	*	*			trans	-51.7	104.4	-175.1	-61.5	170.5	0	0	0	114.7	R176 R179	L174-R176 VanDerWaalsContact C-N 3.31Å; L174-R176 PolarHBondContact O-N 3.46Å; L174-R179 VanDerWaalsContact C-NH1 3.26Å; L174-R179 PolarHBondContact O-NH1 3.35Å; L174-R179 PolarHBondContact O-NH2 2.87Å
175	G	68.8	Low	82.3	Confident	81 Å²	81	105 Å²	105	84%	0.835	54%	0.542	S	S	*	.	S	Bend	trans	-64.4	41.1	-163.5	0	0	0	0	0	121.3	L173	L173-G175 PolarHBondContact O-N 3.32Å; L173-G175 VanDerWaalsContact O-N 3.07Å
176	R	60.1	Low	83.1	Confident	244 Å²	244	105.5 Å²	105.5	92%	0.921	54%	0.536	S	S	*	.	S	Bend	trans	-107.9	3.9	-179.7	-70.7	-168.4	179.5	-169	0.7	116.6	L174	L174-R176 VanDerWaalsContact C-N 3.31Å; L174-R176 PolarHBondContact O-N 3.46Å
177	M	62.4	Low	83.6	Confident	148 Å²	148	103.9 Å²	103.9	73%	0.729	52%	0.52	S	S	*	.	S	Bend	trans	-142.4	151.3	179.2	-64.5	-178.6	75.9	0	0	110.7	R179	M177-R179 PolarHBondContact O-N 3.38Å
178	S	67.2	Low	84	Confident	129 Å²	129	105 Å²	105	90%	0.902	52%	0.523	S	S	*	.			trans	-59.7	131.5	162.3	-175.7	0	0	0	0	108.8
179	R	78.6	Confident	84.3	Confident	96 Å²	96	106.2 Å²	106.2	36%	0.362	53%	0.526	S	S	.	.			trans	-127.9	156	-175	-74.2	-156.1	177.7	85.3	6	111.6	L173 L174 M177 Q181	L173-R179 VanDerWaalsContact C-NH1 3.29Å; L173-R179 PolarHBondContact O-NH1 2.94Å; L173-R179 VanDerWaalsContact O-NH1 3.16Å; L174-R179 VanDerWaalsContact C-NH1 3.26Å; L174-R179 PolarHBondContact O-NH1 3.35Å; L174-R179 PolarHBondContact O-NH2 2.87Å; M177-R179 PolarHBondContact O-N 3.38Å; R179-Q181 PolarHBondContact O-N 3.37Å
180	F	88.4	Confident	84.5	Confident	114 Å²	114	105.6 Å²	105.6	50%	0.5	52%	0.522	S	S	.	.			trans	-57.9	126.5	163.4	-172.1	-92.7	0	0	0	110.1	Y182 F185	F180-Y182 HydrophobicContact CB-CE2 4.21Å; F180-Y182 AromaticContact CD1-CD1 3.6Å; F180-Y182 HydrophobicContact CD1-CD1 3.6Å; F180-Y182 HydrophobicContact CD1-CD2 4.05Å; F180-Y182 AromaticContact CD1-CE1 3.68Å; F180-Y182 HydrophobicContact CD1-CE1 3.68Å; F180-Y182 HydrophobicContact CD1-CE2 4.12Å; F180-Y182 AromaticContact CD1-CG 3.79Å; F180-Y182 HydrophobicContact CD1-CG 3.79Å; F180-Y182 AromaticContact CD1-CZ 3.95Å; F180-Y182 AromaticContact CE1-CD1 3.89Å; F180-Y182 HydrophobicContact CE1-CD1 3.89Å; F180-Y182 HydrophobicContact CE1-CE1 4.2Å; F180-Y182 HydrophobicContact CE1-CG 4.3Å; F180-Y182 VanDerWaalsContact O-CD2 3.23Å; F180-Y182 WeakPolarHBondContact O-CD2 3.45Å; F180-Y182 PolarHBondContact O-N 3.36Å; F180-Y182 VanDerWaalsContact O-N 3.13Å; F180-F185 HydrophobicContact CE1-CB 3.77Å; F180-F185 HydrophobicContact CE1-CD1 4.33Å; F180-F185 HydrophobicContact CE1-CD2 4.47Å; F180-F185 AromaticContact CE1-CG 3.95Å; F180-F185 HydrophobicContact CE1-CG 3.95Å; F180-F185 HydrophobicContact CZ-CB 3.77Å; F180-F185 HydrophobicContact CZ-CD1 4.27Å; F180-F185 AromaticContact CZ-CD2 3.71Å; F180-F185 HydrophobicContact CZ-CD2 3.71Å; F180-F185 HydrophobicContact CZ-CE2 4.37Å; F180-F185 AromaticContact CZ-CG 3.65Å; F180-F185 HydrophobicContact CZ-CG 3.65Å
181	Q	90.4	Very high	84.9	Confident	119 Å²	119	106.5 Å²	106.5	56%	0.556	53%	0.526	S	S	*	.			trans	-83.5	85.6	179.7	-66.4	167.2	-72.6	0	0	109.3	R179 D184 F185	R179-Q181 PolarHBondContact O-N 3.37Å; Q181-D184 HydrophobicContact CB-CB 3.86Å; Q181-D184 WeakPolarHBondContact CB-OD2 3.45Å; Q181-D184 PolarHBondContact NE2-OD2 3.29Å; Q181-F185 WeakPolarHBondContact O-CB 3.43Å; Q181-F185 PolarHBondContact O-N 3.08Å
182	Y	91.4	Very high	85	Confident	107 Å²	107	105.9 Å²	105.9	42%	0.42	52%	0.52	S	S	.	.	H	α-helix	trans	-60	-47.3	-177	-68.1	-84.7	0	0	0	112.3	L173 F180 F185 F186	L173-Y182 HydrophobicContact CD1-CD2 4.05Å; L173-Y182 HydrophobicContact CD1-CE2 4.15Å; F180-Y182 HydrophobicContact CB-CE2 4.21Å; F180-Y182 AromaticContact CD1-CD1 3.6Å; F180-Y182 HydrophobicContact CD1-CD1 3.6Å; F180-Y182 HydrophobicContact CD1-CD2 4.05Å; F180-Y182 AromaticContact CD1-CE1 3.68Å; F180-Y182 HydrophobicContact CD1-CE1 3.68Å; F180-Y182 HydrophobicContact CD1-CE2 4.12Å; F180-Y182 AromaticContact CD1-CG 3.79Å; F180-Y182 HydrophobicContact CD1-CG 3.79Å; F180-Y182 AromaticContact CD1-CZ 3.95Å; F180-Y182 AromaticContact CE1-CD1 3.89Å; F180-Y182 HydrophobicContact CE1-CD1 3.89Å; F180-Y182 HydrophobicContact CE1-CE1 4.2Å; F180-Y182 HydrophobicContact CE1-CG 4.3Å; F180-Y182 VanDerWaalsContact O-CD2 3.23Å; F180-Y182 WeakPolarHBondContact O-CD2 3.45Å; F180-Y182 PolarHBondContact O-N 3.36Å; F180-Y182 VanDerWaalsContact O-N 3.13Å; Y182-F185 PolarHBondContact O-N 3.34Å; Y182-F186 WeakPolarHBondContact O-CD2 3.47Å; Y182-F186 WeakPolarHBondContact O-CG 3.44Å; Y182-F186 PolarHBondContact O-N 3.47Å
183	D	90.9	Very high	85	Confident	24 Å²	24	103.9 Å²	103.9	13%	0.128	51%	0.506	C	S	.	.	H	α-helix	trans	-59.7	-53	-180	-57.4	-82.6	0	0	0	110.7	L168 L169 Q170 F185 F186 E187	L168-D183 HydrophobicContact CD2-CB 4.46Å; L169-D183 WeakPolarHBondContact CB-OD2 3.24Å; L169-D183 PolarHBondContact N-OD1 2.9Å; L169-D183 PolarHBondContact N-OD2 3.38Å; L169-D183 VanDerWaalsContact N-OD2 3.15Å; Q170-D183 PolarHBondContact N-OD2 3.22Å; D183-F185 VanDerWaalsContact C-N 3.32Å; D183-F185 PolarHBondContact O-N 2.92Å; D183-F186 PolarHBondContact O-N 2.6Å; D183-F186 VanDerWaalsContact O-N 3.1Å; D183-E187 WeakPolarHBondContact O-CG 3.23Å; D183-E187 PolarHBondContact O-N 2.79Å
184	D	91.8	Very high	85.1	Confident	73 Å²	73	103.9 Å²	103.9	39%	0.39	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-39.3	178	-57.2	-19.9	0	0	0	112.7	Q181 E187 K188	Q181-D184 HydrophobicContact CB-CB 3.86Å; Q181-D184 WeakPolarHBondContact CB-OD2 3.45Å; Q181-D184 PolarHBondContact NE2-OD2 3.29Å; D184-E187 PolarHBondContact O-N 2.96Å; D184-K188 WeakPolarHBondContact O-CB 3.28Å; D184-K188 PolarHBondContact O-N 2.89Å
185	F	94.4	Very high	85.5	Confident	84 Å²	84	102.2 Å²	102.2	37%	0.368	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-44.1	175.3	172.6	-95.1	0	0	0	112	F180 Q181 Y182 D183 K188 K189	F180-F185 HydrophobicContact CE1-CB 3.77Å; F180-F185 HydrophobicContact CE1-CD1 4.33Å; F180-F185 HydrophobicContact CE1-CD2 4.47Å; F180-F185 AromaticContact CE1-CG 3.95Å; F180-F185 HydrophobicContact CE1-CG 3.95Å; F180-F185 HydrophobicContact CZ-CB 3.77Å; F180-F185 HydrophobicContact CZ-CD1 4.27Å; F180-F185 AromaticContact CZ-CD2 3.71Å; F180-F185 HydrophobicContact CZ-CD2 3.71Å; F180-F185 HydrophobicContact CZ-CE2 4.37Å; F180-F185 AromaticContact CZ-CG 3.65Å; F180-F185 HydrophobicContact CZ-CG 3.65Å; Q181-F185 WeakPolarHBondContact O-CB 3.43Å; Q181-F185 PolarHBondContact O-N 3.08Å; Y182-F185 PolarHBondContact O-N 3.34Å; D183-F185 VanDerWaalsContact C-N 3.32Å; D183-F185 PolarHBondContact O-N 2.92Å; F185-K188 PolarHBondContact O-N 3.08Å; F185-K189 HydrophobicContact CD1-CG 4.45Å; F185-K189 HydrophobicContact CE1-CG 4.04Å; F185-K189 HydrophobicContact CE2-CG 4.33Å; F185-K189 HydrophobicContact CZ-CD 4.4Å; F185-K189 HydrophobicContact CZ-CG 3.98Å; F185-K189 WeakPolarHBondContact O-CG 3.33Å; F185-K189 PolarHBondContact O-N 2.8Å
186	F	93.8	Very high	86.1	Confident	110 Å²	110	100.8 Å²	100.8	48%	0.482	47%	0.469	S	S	.	.	H	α-helix	trans	-70.4	-38.2	177.9	-66.5	-52.8	0	0	0	112.1	L169 Y182 D183 K189 I190	L169-F186 HydrophobicContact CD1-CD2 4.14Å; L169-F186 HydrophobicContact CD1-CE2 3.78Å; Y182-F186 WeakPolarHBondContact O-CD2 3.47Å; Y182-F186 WeakPolarHBondContact O-CG 3.44Å; Y182-F186 PolarHBondContact O-N 3.47Å; D183-F186 PolarHBondContact O-N 2.6Å; D183-F186 VanDerWaalsContact O-N 3.1Å; F186-K189 PolarHBondContact O-N 3Å; F186-I190 WeakPolarHBondContact O-CG1 3.38Å; F186-I190 PolarHBondContact O-N 3.12Å
187	E	92.1	Very high	87.2	Confident	93 Å²	93	93.4 Å²	93.4	44%	0.435	45%	0.445	S	S	.	.	H	α-helix	trans	-59.6	-47.1	173.1	-67.3	-145.9	122.3	0	0	111.2	R161 D183 D184 K189 I190 E191	R161-E187 IonicContact CZ-OE1 3.73Å; R161-E187 IonicContact NH1-OE1 2.74Å; R161-E187 PolarHBondContact NH1-OE1 2.95Å; R161-E187 IonicContact NH2-OE1 2.79Å; R161-E187 PolarHBondContact NH2-OE1 3.41Å; D183-E187 WeakPolarHBondContact O-CG 3.23Å; D183-E187 PolarHBondContact O-N 2.79Å; D184-E187 PolarHBondContact O-N 2.96Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.15Å; E187-I190 PolarHBondContact O-N 3.3Å; E187-I190 VanDerWaalsContact O-N 3.08Å; E187-E191 PolarHBondContact O-N 2.88Å
188	K	94.8	Very high	88.1	Confident	129 Å²	129	86.6 Å²	86.6	56%	0.561	41%	0.411	S	S	*	.	H	α-helix	trans	-59.7	-39.6	175.4	-174	171.9	-178	172.7	0	112.6	D184 F185 I190 E191 E192	D184-K188 WeakPolarHBondContact O-CB 3.28Å; D184-K188 PolarHBondContact O-N 2.89Å; F185-K188 PolarHBondContact O-N 3.08Å; K188-I190 VanDerWaalsContact C-N 3.3Å; K188-I190 PolarHBondContact O-N 3.22Å; K188-E191 PolarHBondContact O-N 3.43Å; K188-E192 WeakPolarHBondContact O-CG 3.39Å; K188-E192 PolarHBondContact O-N 3.19Å
189	K	93.1	Very high	89.1	Confident	86 Å²	86	84.9 Å²	84.9	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-66.9	-27.8	175.6	-74.5	-74.3	166.3	-128.5	0	113.5	F185 F186 E187 E192	F185-K189 HydrophobicContact CD1-CG 4.45Å; F185-K189 HydrophobicContact CE1-CG 4.04Å; F185-K189 HydrophobicContact CE2-CG 4.33Å; F185-K189 HydrophobicContact CZ-CD 4.4Å; F185-K189 HydrophobicContact CZ-CG 3.98Å; F185-K189 WeakPolarHBondContact O-CG 3.33Å; F185-K189 PolarHBondContact O-N 2.8Å; F186-K189 PolarHBondContact O-N 3Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.15Å; K189-E192 WeakPolarHBondContact CD-OE2 3.37Å; K189-E192 IonicContact NZ-OE1 2.7Å; K189-E192 PolarHBondContact NZ-OE1 3.21Å; K189-E192 IonicContact NZ-OE2 3.64Å; K189-E192 PolarHBondContact NZ-OE2 2.8Å
190	I	92	Very high	89.5	Confident	64 Å²	64	86 Å²	86	33%	0.328	39%	0.39	S	S	.	.	H	α-helix	trans	-77.8	-38.6	171.1	-64.7	-59.7	0	0	0	111.2	F186 E187 K188 K193 K194 Y199	F186-I190 WeakPolarHBondContact O-CG1 3.38Å; F186-I190 PolarHBondContact O-N 3.12Å; E187-I190 PolarHBondContact O-N 3.3Å; E187-I190 VanDerWaalsContact O-N 3.08Å; K188-I190 VanDerWaalsContact C-N 3.3Å; K188-I190 PolarHBondContact O-N 3.22Å; I190-K193 PolarHBondContact O-N 3.46Å; I190-K194 HydrophobicContact CG2-CD 4.35Å; I190-K194 WeakPolarHBondContact O-CG 3.5Å; I190-K194 PolarHBondContact O-N 3.47Å; I190-K194 VanDerWaalsContact O-N 3.08Å; I190-Y199 HydrophobicContact CD1-CE2 4.35Å; I190-Y199 HydrophobicContact CG2-CD2 4.16Å; I190-Y199 HydrophobicContact CG2-CE2 3.83Å
191	E	92.4	Very high	89.5	Confident	110 Å²	110	82.3 Å²	82.3	51%	0.514	38%	0.377	S	S	.	.	H	α-helix	trans	-61.8	-43.7	174.8	-173.8	172.5	-142.9	0	0	112	E187 K188 K193 K194 N195	E187-E191 PolarHBondContact O-N 2.88Å; K188-E191 PolarHBondContact O-N 3.43Å; E191-K193 VanDerWaalsContact C-N 3.25Å; E191-K193 PolarHBondContact O-N 2.85Å; E191-K194 PolarHBondContact O-N 2.83Å; E191-N195 PolarHBondContact O-N 3.18Å
192	E	91.3	Very high	89.6	Confident	87 Å²	87	84.2 Å²	84.2	41%	0.407	38%	0.383	S	S	.	.	H	α-helix	trans	-49.4	-45.4	171.4	-78.1	171.4	-151.9	0	0	111.7	K188 K189 D196	K188-E192 WeakPolarHBondContact O-CG 3.39Å; K188-E192 PolarHBondContact O-N 3.19Å; K189-E192 WeakPolarHBondContact CD-OE2 3.37Å; K189-E192 IonicContact NZ-OE1 2.7Å; K189-E192 PolarHBondContact NZ-OE1 3.21Å; K189-E192 IonicContact NZ-OE2 3.64Å; K189-E192 PolarHBondContact NZ-OE2 2.8Å; E192-D196 WeakPolarHBondContact O-CB 3.39Å; E192-D196 PolarHBondContact O-N 3.23Å
193	K	86.2	Confident	89.7	Confident	75 Å²	75	80.2 Å²	80.2	33%	0.326	37%	0.368	S	S	.	.	H	α-helix	trans	-72.6	-30.1	177.9	-70.2	-162.8	129.8	-64.9	0	114.3	I190 E191 H197 T198 Y199	I190-K193 PolarHBondContact O-N 3.46Å; E191-K193 VanDerWaalsContact C-N 3.25Å; E191-K193 PolarHBondContact O-N 2.85Å; K193-H197 PolarHBondContact O-N 2.83Å; K193-T198 PolarHBondContact NZ-O 3.36Å; K193-T198 VanDerWaalsContact NZ-O 3.08Å; K193-T198 PolarHBondContact NZ-OG1 3.01Å; K193-T198 CarbonylContact O-C 3.5Å; K193-T198 PolarHBondContact O-N 2.95Å; K193-Y199 HydrophobicContact CB-CD2 4.41Å; K193-Y199 PolarHBondContact O-N 3.19Å
194	K	87.8	Confident	89.9	Confident	60 Å²	60	81.9 Å²	81.9	26%	0.261	38%	0.379	S	S	.	.	H	α-helix	trans	-71.1	-48.1	178.2	-74.8	174.6	175.4	178.9	0	110.9	I190 E191 D196 H197 Y199	I190-K194 HydrophobicContact CG2-CD 4.35Å; I190-K194 WeakPolarHBondContact O-CG 3.5Å; I190-K194 PolarHBondContact O-N 3.47Å; I190-K194 VanDerWaalsContact O-N 3.08Å; E191-K194 PolarHBondContact O-N 2.83Å; K194-D196 PolarHBondContact O-N 3.08Å; K194-H197 PolarHBondContact O-N 2.83Å; K194-Y199 HydrophobicContact CG-CD1 4.13Å; K194-Y199 HydrophobicContact CG-CD2 4.36Å; K194-Y199 HydrophobicContact CG-CG 3.87Å
195	N	87.2	Confident	90.1	Very high	114 Å²	114	80.3 Å²	80.3	61%	0.61	37%	0.372	S	S	*	.	H	α-helix	trans	-64.7	-26.3	178.5	-62.8	-8	0	0	0	112	E191 H197	E191-N195 PolarHBondContact O-N 3.18Å; N195-H197 PolarHBondContact O-CD2 2.84Å
196	D	81.6	Confident	90.3	Very high	50 Å²	50	80.8 Å²	80.8	27%	0.267	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.8	176.2	-176.1	50.2	0	0	0	114	E192 K194 T198 R548	E192-D196 WeakPolarHBondContact O-CB 3.39Å; E192-D196 PolarHBondContact O-N 3.23Å; K194-D196 PolarHBondContact O-N 3.08Å; D196-T198 PolarHBondContact O-N 3.32Å; D196-T198 WeakPolarHBondContact OD2-CB 3.4Å; D196-T198 WeakPolarHBondContact OD2-CG2 3.46Å; D196-T198 PolarHBondContact OD2-OG1 3.16Å; D196-R548 IonicContact OD1-CZ 2.67Å; D196-R548 IonicContact OD1-NH1 3.54Å; D196-R548 PolarHBondContact OD1-NH1 2.84Å; D196-R548 IonicContact OD1-NH2 2.93Å; D196-R548 PolarHBondContact OD1-NH2 2.9Å; D196-R548 IonicContact OD2-CZ 3.54Å; D196-R548 IonicContact OD2-NH1 3.59Å; D196-R548 PolarHBondContact OD2-NH1 3.46Å; D196-R548 IonicContact OD2-NH2 3.26Å; D196-R548 PolarHBondContact OD2-NH2 3.38Å
197	H	84	Confident	90.5	Very high	90 Å²	90	80 Å²	80	42%	0.417	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	20.9	-174.3	-56.1	-108.5	0	0	0	114.3	K193 K194 N195 A520 E521	K193-H197 PolarHBondContact O-N 2.83Å; K194-H197 PolarHBondContact O-N 2.83Å; N195-H197 PolarHBondContact O-CD2 2.84Å; H197-A520 HydrophobicContact CB-CB 4.32Å; H197-E521 IonicContact CE1-OE1 3.51Å
198	T	80.6	Confident	90.8	Very high	5 Å²	5	77.1 Å²	77.1	3%	0.031	36%	0.36	C	S	.	.			trans	-108	10.1	175.5	68.7	0	0	0	0	113.3	K193 D196 R200 Y543	K193-T198 PolarHBondContact NZ-O 3.36Å; K193-T198 VanDerWaalsContact NZ-O 3.08Å; K193-T198 PolarHBondContact NZ-OG1 3.01Å; K193-T198 CarbonylContact O-C 3.5Å; K193-T198 PolarHBondContact O-N 2.95Å; D196-T198 PolarHBondContact O-N 3.32Å; D196-T198 WeakPolarHBondContact OD2-CB 3.4Å; D196-T198 WeakPolarHBondContact OD2-CG2 3.46Å; D196-T198 PolarHBondContact OD2-OG1 3.16Å; T198-R200 PolarHBondContact O-N 3.43Å; T198-Y543 HydrophobicContact CG2-CD1 4.08Å; T198-Y543 HydrophobicContact CG2-CG 4.48Å
199	Y	87.9	Confident	90.9	Very high	93 Å²	93	73.9 Å²	73.9	37%	0.365	36%	0.357	S	S	.	.			trans	-72.3	119	166.7	-175.7	-107.2	0	0	0	109.2	I190 K193 K194 V201	I190-Y199 HydrophobicContact CD1-CE2 4.35Å; I190-Y199 HydrophobicContact CG2-CD2 4.16Å; I190-Y199 HydrophobicContact CG2-CE2 3.83Å; K193-Y199 HydrophobicContact CB-CD2 4.41Å; K193-Y199 PolarHBondContact O-N 3.19Å; K194-Y199 HydrophobicContact CG-CD1 4.13Å; K194-Y199 HydrophobicContact CG-CD2 4.36Å; K194-Y199 HydrophobicContact CG-CG 3.87Å; Y199-V201 HydrophobicContact CD1-CG2 3.85Å; Y199-V201 HydrophobicContact CE1-CG2 3.61Å
200	R	87.6	Confident	91.1	Very high	120 Å²	120	75.3 Å²	75.3	45%	0.453	37%	0.373	S	S	.	.			trans	-93.5	129.4	-175.9	-64.6	180	179.3	-169.7	-7	109.7	T198 F202 N542 T545	T198-R200 PolarHBondContact O-N 3.43Å; R200-F202 HydrophobicContact CB-CE1 4.17Å; R200-N542 PolarHBondContact NH2-O 2.98Å; R200-T545 PolarHBondContact NH1-OG1 3.39Å; R200-T545 PolarHBondContact NH2-OG1 2.88Å
201	V	88.6	Confident	91.3	Very high	36 Å²	36	77.3 Å²	77.3	22%	0.218	38%	0.381	C	S	.	.			trans	-118.4	120.4	166	-167.2	0	0	0	0	108.6	L157 Y199	L157-V201 HydrophobicContact CB-CG1 4.06Å; L157-V201 HydrophobicContact CB-CG2 4.42Å; L157-V201 HydrophobicContact CD1-CB 3.84Å; L157-V201 HydrophobicContact CD1-CG1 3.69Å; L157-V201 HydrophobicContact CD1-CG2 4.12Å; L157-V201 HydrophobicContact CD2-CG1 3.61Å; L157-V201 HydrophobicContact CG-CG1 3.94Å; Y199-V201 HydrophobicContact CD1-CG2 3.85Å; Y199-V201 HydrophobicContact CE1-CG2 3.61Å
202	F	91.8	Very high	91.6	Very high	159 Å²	159	73 Å²	73	70%	0.697	36%	0.36	S	S	*	.			trans	-73.7	142.1	-172	-53.5	-46.6	0	0	0	111.6	R200	R200-F202 HydrophobicContact CB-CE1 4.17Å
203	K	93.1	Very high	91.9	Very high	23 Å²	23	69.1 Å²	69.1	10%	0.1	34%	0.343	C	S	.	.			trans	-77.4	128.3	166.7	-52.3	-54.3	-179.5	-170.9	0	108.4	V205 T219 D528 Y537	K203-V205 HydrophobicContact CB-CG1 4.37Å; K203-V205 PolarHBondContact O-N 2.91Å; K203-T219 WeakPolarHBondContact CA-OG1 3.21Å; K203-T219 HydrophobicContact CD-CG2 3.8Å; K203-D528 WeakPolarHBondContact CE-OD1 3.35Å; K203-D528 IonicContact NZ-OD1 3.73Å; K203-D528 PolarHBondContact NZ-OD1 3.36Å; K203-Y537 HydrophobicContact CB-CE2 4.05Å; K203-Y537 HydrophobicContact CG-CD2 4.32Å; K203-Y537 HydrophobicContact CG-CE2 3.66Å
204	T	95.6	Very high	92.5	Very high	58 Å²	58	67.4 Å²	67.4	36%	0.356	34%	0.337	S	S	.	.			trans	-90.8	98.4	-177.8	-51.9	0	0	0	0	108.3	F218 T219 L222	T204-F218 HydrophobicContact CG2-CB 3.9Å; T204-F218 PolarHBondContact O-N 3.15Å; T204-T219 PolarHBondContact N-OG1 2.83Å; T204-T219 VanDerWaalsContact N-OG1 3.08Å; T204-L222 HydrophobicContact CG2-CD2 4.46Å
205	V	96.7	Very high	93	Very high	40 Å²	40	64.6 Å²	64.6	24%	0.242	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.2	-173.8	-65.9	0	0	0	0	113	K203 A215 D216 D217 M531 Y537	K203-V205 HydrophobicContact CB-CG1 4.37Å; K203-V205 PolarHBondContact O-N 2.91Å; V205-A215 HydrophobicContact CB-CB 4.39Å; V205-D216 CarbonylContact C-O 3.31Å; V205-D216 VanDerWaalsContact CA-O 3.32Å; V205-D216 WeakPolarHBondContact CA-O 2.98Å; V205-D217 HydrophobicContact CG1-CB 4.46Å; V205-M531 HydrophobicContact CG1-CE 3.92Å; V205-Y537 HydrophobicContact CG1-CD1 4.2Å; V205-Y537 HydrophobicContact CG1-CE1 4.35Å; V205-Y537 HydrophobicContact CG2-CD1 4.26Å; V205-Y537 HydrophobicContact CG2-CE1 3.84Å
206	N	97.8	Very high	93.5	Very high	94 Å²	94	60 Å²	60	50%	0.503	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	103	173.2	-70.3	-18.6	0	0	0	109.1	L208 A215 D216 F218	N206-L208 PolarHBondContact O-N 3.3Å; N206-A215 CarbonylContact O-C 3.59Å; N206-A215 VanDerWaalsContact O-CA 3.28Å; N206-A215 WeakPolarHBondContact O-CA 3.34Å; N206-A215 WeakPolarHBondContact O-CB 3.19Å; N206-D216 HydrophobicContact CB-CB 4.32Å; N206-D216 PolarHBondContact N-O 2.86Å; N206-D216 PolarHBondContact O-N 3.33Å; N206-F218 HydrophobicContact CB-CE2 4.35Å; N206-F218 WeakPolarHBondContact ND2-CE2 3.45Å
207	R	98.3	Very high	94.2	Very high	94 Å²	94	57.8 Å²	57.8	36%	0.355	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	131.8	179.6	-68.6	172.1	55.6	-133	-12.6	111.2	A215 D235 S240	R207-A215 HydrophobicContact CG-CB 4.38Å; R207-D235 IonicContact CZ-OD2 3.95Å; R207-D235 IonicContact NH1-OD2 3.84Å; R207-D235 IonicContact NH2-OD2 2.74Å; R207-D235 PolarHBondContact NH2-OD2 2.73Å; R207-S240 PolarHBondContact NH1-OG 3.39Å; R207-S240 PolarHBondContact NH2-OG 2.92Å
208	L	98.1	Very high	94.7	Very high	32 Å²	32	55.2 Å²	55.2	17%	0.168	28%	0.276	C	S	.	.			trans	-84.3	121.6	-178.6	-60.9	178.2	0	0	0	110.5	N206 E211 F212 M214	N206-L208 PolarHBondContact O-N 3.3Å; L208-E211 HydrophobicContact CB-CB 4.25Å; L208-E211 HydrophobicContact CD1-CB 4.43Å; L208-F212 PolarHBondContact O-N 2.94Å; L208-M214 HydrophobicContact CD1-CB 4.25Å; L208-M214 PolarHBondContact N-O 3.13Å
209	A	97.8	Very high	95.1	Very high	61 Å²	61	55.6 Å²	55.6	50%	0.504	28%	0.278	S	S	.	.	S	Bend	trans	-73.2	-31.7	179	0	0	0	0	0	112.8	R241	A209-R241 HydrophobicContact CB-CB 3.83Å; A209-R241 WeakPolarHBondContact O-CB 3.41Å
210	T	96.9	Very high	95	Very high	117 Å²	117	53.5 Å²	53.5	72%	0.718	29%	0.285	S	S	*	.	S	Bend	trans	-72.1	-32.5	177.4	46.1	0	0	0	0	112.8
211	E	97.1	Very high	94.9	Very high	106 Å²	106	49.3 Å²	49.3	50%	0.495	27%	0.274	S	S	.	.	S	Bend	trans	-131.9	42.9	-164.8	-72.2	164.5	-105.3	0	0	111.1	L208 M214	L208-E211 HydrophobicContact CB-CB 4.25Å; L208-E211 HydrophobicContact CD1-CB 4.43Å; E211-M214 WeakPolarHBondContact O-CA 3.21Å; E211-M214 WeakPolarHBondContact O-CB 3.35Å; E211-M214 VanDerWaalsContact O-CG 3.26Å; E211-M214 WeakPolarHBondContact O-CG 3.41Å; E211-M214 PolarHBondContact O-N 2.84Å
212	F	98	Very high	94.9	Very high	18 Å²	18	54.3 Å²	54.3	8%	0.079	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	131	176.4	177.5	-87.3	0	0	0	110.9	L208 D235 R241 T558 H560	L208-F212 PolarHBondContact O-N 2.94Å; F212-D235 WeakPolarHBondContact CZ-O 3.3Å; F212-R241 HydrophobicContact CB-CG 3.83Å; F212-R241 HydrophobicContact CD2-CG 4.41Å; F212-R241 HydrophobicContact CG-CG 4.19Å; F212-T558 HydrophobicContact CE1-CG2 4.36Å; F212-T558 HydrophobicContact CZ-CG2 4.08Å; F212-H560 HydrophobicContact CD1-CB 3.64Å; F212-H560 AromaticContact CD1-CD2 3.73Å; F212-H560 AromaticContact CD1-CG 3.73Å; F212-H560 HydrophobicContact CE1-CB 3.78Å; F212-H560 AromaticContact CE1-CD2 3.47Å; F212-H560 VanDerWaalsContact CE1-CD2 3.47Å; F212-H560 WeakPolarHBondContact CE1-CD2 3.36Å; F212-H560 AromaticContact CE1-CG 3.84Å
213	P	98.1	Very high	94.7	Very high	7 Å²	7	55.3 Å²	55.3	5%	0.045	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	cis	-102.6	30.3	19.4	39.2	-34.8	0	0	0	115.9	V230 H561 M565	P213-V230 WeakPolarHBondContact O-CB 3.48Å; P213-V230 PolarHBondContact O-N 3.45Å; P213-H561 WeakPolarHBondContact CG-NE2 3.34Å; P213-M565 HydrophobicContact CG-CE 3.83Å
214	M	98.6	Very high	94.4	Very high	39 Å²	39	59.6 Å²	59.6	19%	0.192	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	160.9	177.8	-51	-55.4	-73.1	0	0	113.2	L208 E211 E227 V228 M565	L208-M214 HydrophobicContact CD1-CB 4.25Å; L208-M214 PolarHBondContact N-O 3.13Å; E211-M214 WeakPolarHBondContact O-CA 3.21Å; E211-M214 WeakPolarHBondContact O-CB 3.35Å; E211-M214 VanDerWaalsContact O-CG 3.26Å; E211-M214 WeakPolarHBondContact O-CG 3.41Å; E211-M214 PolarHBondContact O-N 2.84Å; M214-E227 HydrophobicContact CB-CG 4.36Å; M214-E227 HydrophobicContact CE-CG 3.91Å; M214-V228 CarbonylContact C-O 3.56Å; M214-V228 VanDerWaalsContact CA-O 3.31Å; M214-V228 WeakPolarHBondContact CA-O 3.42Å; M214-M565 HydrophobicContact SD-CE 4.05Å
215	A	98.4	Very high	94.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.9	177.1	0	0	0	0	0	112	V205 N206 R207 E227 V228 V230	V205-A215 HydrophobicContact CB-CB 4.39Å; N206-A215 CarbonylContact O-C 3.59Å; N206-A215 VanDerWaalsContact O-CA 3.28Å; N206-A215 WeakPolarHBondContact O-CA 3.34Å; N206-A215 WeakPolarHBondContact O-CB 3.19Å; R207-A215 HydrophobicContact CG-CB 4.38Å; A215-E227 WeakPolarHBondContact O-CA 3.43Å; A215-V228 HydrophobicContact CB-CG2 4.18Å; A215-V228 PolarHBondContact N-O 3.38Å; A215-V228 PolarHBondContact O-N 3.29Å; A215-V230 HydrophobicContact CB-CG2 3.51Å
216	D	97.8	Very high	94.1	Very high	19 Å²	19	64.5 Å²	64.5	10%	0.102	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.7	165.5	-76.1	-28.3	0	0	0	110.5	V205 N206 F218 K225	V205-D216 CarbonylContact C-O 3.31Å; V205-D216 VanDerWaalsContact CA-O 3.32Å; V205-D216 WeakPolarHBondContact CA-O 2.98Å; N206-D216 HydrophobicContact CB-CB 4.32Å; N206-D216 PolarHBondContact N-O 2.86Å; N206-D216 PolarHBondContact O-N 3.33Å; D216-F218 HydrophobicContact CB-CD2 4.33Å; D216-F218 HydrophobicContact CB-CE2 3.53Å; D216-F218 HydrophobicContact CB-CZ 4.09Å; D216-K225 HydrophobicContact CB-CB 4.36Å; D216-K225 HydrophobicContact CB-CD 4.49Å; D216-K225 IonicContact OD1-NZ 2.69Å; D216-K225 PolarHBondContact OD1-NZ 3.42Å; D216-K225 IonicContact OD2-NZ 3.69Å; D216-K225 PolarHBondContact OD2-NZ 2.99Å
217	D	96.1	Very high	94	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.011	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	127	173.4	171.5	47	0	0	0	112.1	V205 T219 K225 R226 V228 M531	V205-D217 HydrophobicContact CG1-CB 4.46Å; D217-T219 WeakPolarHBondContact OD1-CB 3.4Å; D217-T219 PolarHBondContact OD1-N 3.04Å; D217-T219 PolarHBondContact OD1-OG1 3.41Å; D217-K225 WeakPolarHBondContact O-CA 3.46Å; D217-R226 HydrophobicContact CB-CB 4.42Å; D217-R226 WeakPolarHBondContact CB-O 3.46Å; D217-R226 PolarHBondContact N-O 3.26Å; D217-R226 PolarHBondContact O-N 2.99Å; D217-R226 IonicContact OD2-CZ 2.66Å; D217-R226 IonicContact OD2-NE 2.68Å; D217-R226 PolarHBondContact OD2-NE 3.19Å; D217-R226 IonicContact OD2-NH2 2.67Å; D217-R226 PolarHBondContact OD2-NH2 3.48Å; D217-V228 HydrophobicContact CB-CG1 3.93Å; D217-V228 HydrophobicContact CB-CG2 4.18Å; D217-M531 HydrophobicContact CB-CE 3.58Å; D217-M531 VanDerWaalsContact OD1-CE 3.29Å; D217-M531 WeakPolarHBondContact OD1-CE 3.11Å
218	F	94.6	Very high	94	Very high	37 Å²	37	59.9 Å²	59.9	16%	0.162	32%	0.32	C	S	.	.			trans	-121.2	20.7	176.5	-62.4	-85.4	0	0	0	111.9	T204 N206 D216 G220 S221 L222 K225	T204-F218 HydrophobicContact CG2-CB 3.9Å; T204-F218 PolarHBondContact O-N 3.15Å; N206-F218 HydrophobicContact CB-CE2 4.35Å; N206-F218 WeakPolarHBondContact ND2-CE2 3.45Å; D216-F218 HydrophobicContact CB-CD2 4.33Å; D216-F218 HydrophobicContact CB-CE2 3.53Å; D216-F218 HydrophobicContact CB-CZ 4.09Å; F218-G220 VanDerWaalsContact C-N 3.28Å; F218-G220 PolarHBondContact O-N 3.27Å; F218-S221 CarbonylContact C-O 3.12Å; F218-S221 VanDerWaalsContact C-O 3.31Å; F218-S221 WeakPolarHBondContact CA-O 3.41Å; F218-S221 VanDerWaalsContact CB-O 3.28Å; F218-S221 WeakPolarHBondContact CB-O 3.39Å; F218-L222 HydrophobicContact CB-CD2 4.26Å; F218-K225 HydrophobicContact CD1-CB 4.27Å; F218-K225 HydrophobicContact CE1-CB 3.61Å; F218-K225 HydrophobicContact CE2-CB 4.39Å; F218-K225 HydrophobicContact CZ-CB 3.68Å
219	T	88.3	Confident	94	Very high	12 Å²	12	58.9 Å²	58.9	7%	0.074	32%	0.316	C	S	.	.	S	Bend	trans	-65.7	-31.2	-178.3	-56.5	0	0	0	0	112.2	K203 T204 D217	K203-T219 WeakPolarHBondContact CA-OG1 3.21Å; K203-T219 HydrophobicContact CD-CG2 3.8Å; T204-T219 PolarHBondContact N-OG1 2.83Å; T204-T219 VanDerWaalsContact N-OG1 3.08Å; D217-T219 WeakPolarHBondContact OD1-CB 3.4Å; D217-T219 PolarHBondContact OD1-N 3.04Å; D217-T219 PolarHBondContact OD1-OG1 3.41Å
220	G	85.3	Confident	94.1	Very high	49 Å²	49	56.3 Å²	56.3	51%	0.505	29%	0.294	S	S	.	.	S	Bend	trans	-87.5	-33	178	0	0	0	0	0	114.7	F218	F218-G220 VanDerWaalsContact C-N 3.28Å; F218-G220 PolarHBondContact O-N 3.27Å
221	S	86.8	Confident	94.2	Very high	33 Å²	33	50.8 Å²	50.8	23%	0.231	26%	0.26	C	S	.	.			trans	-154.6	146	-173.5	-177.2	0	0	0	0	109.1	F218 E223 D224	F218-S221 CarbonylContact C-O 3.12Å; F218-S221 VanDerWaalsContact C-O 3.31Å; F218-S221 WeakPolarHBondContact CA-O 3.41Å; F218-S221 VanDerWaalsContact CB-O 3.28Å; F218-S221 WeakPolarHBondContact CB-O 3.39Å; S221-E223 VanDerWaalsContact C-N 3.33Å; S221-E223 PolarHBondContact OG-N 3.13Å; S221-D224 VanDerWaalsContact CB-OD2 3.24Å; S221-D224 WeakPolarHBondContact CB-OD2 3.48Å; S221-D224 PolarHBondContact OG-N 3.46Å; S221-D224 VanDerWaalsContact OG-N 3.16Å; S221-D224 PolarHBondContact OG-OD2 3.03Å
222	L	87.6	Confident	94.2	Very high	141 Å²	141	46.7 Å²	46.7	74%	0.738	24%	0.243	S	C	*	.	S	Bend	trans	-86.9	-8.6	169.5	-65.9	-179.8	0	0	0	112.4	T204 F218	T204-L222 HydrophobicContact CG2-CD2 4.46Å; F218-L222 HydrophobicContact CB-CD2 4.26Å
223	E	87.4	Confident	94.2	Very high	180 Å²	180	46.7 Å²	46.7	84%	0.841	25%	0.245	S	C	*	.	S	Bend	trans	-100.5	-39.6	-178.6	-64.9	173	-166	0	0	110.7	S221	S221-E223 VanDerWaalsContact C-N 3.33Å; S221-E223 PolarHBondContact OG-N 3.13Å
224	D	87.3	Confident	94.3	Very high	113 Å²	113	48.8 Å²	48.8	60%	0.604	26%	0.256	S	S	*	.	S	Bend	trans	-98	123.4	179.2	-45.2	-81.2	0	0	0	111.1	S221	S221-D224 VanDerWaalsContact CB-OD2 3.24Å; S221-D224 WeakPolarHBondContact CB-OD2 3.48Å; S221-D224 PolarHBondContact OG-N 3.46Å; S221-D224 VanDerWaalsContact OG-N 3.16Å; S221-D224 PolarHBondContact OG-OD2 3.03Å
225	K	91.6	Very high	94.3	Very high	118 Å²	118	47.3 Å²	47.3	51%	0.513	25%	0.248	S	C	.	.			trans	-99.9	142.3	174.8	84	-165.6	-163.6	103.6	0	111.5	D216 D217 F218	D216-K225 HydrophobicContact CB-CB 4.36Å; D216-K225 HydrophobicContact CB-CD 4.49Å; D216-K225 IonicContact OD1-NZ 2.69Å; D216-K225 PolarHBondContact OD1-NZ 3.42Å; D216-K225 IonicContact OD2-NZ 3.69Å; D216-K225 PolarHBondContact OD2-NZ 2.99Å; D217-K225 WeakPolarHBondContact O-CA 3.46Å; F218-K225 HydrophobicContact CD1-CB 4.27Å; F218-K225 HydrophobicContact CE1-CB 3.61Å; F218-K225 HydrophobicContact CE2-CB 4.39Å; F218-K225 HydrophobicContact CZ-CB 3.68Å
226	R	93.6	Very high	94.3	Very high	82 Å²	82	47.3 Å²	47.3	31%	0.309	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.9	164.1	-63.4	-178.1	-62.1	-171.8	-1.5	109.2	D217 N532	D217-R226 HydrophobicContact CB-CB 4.42Å; D217-R226 WeakPolarHBondContact CB-O 3.46Å; D217-R226 PolarHBondContact N-O 3.26Å; D217-R226 PolarHBondContact O-N 2.99Å; D217-R226 IonicContact OD2-CZ 2.66Å; D217-R226 IonicContact OD2-NE 2.68Å; D217-R226 PolarHBondContact OD2-NE 3.19Å; D217-R226 IonicContact OD2-NH2 2.67Å; D217-R226 PolarHBondContact OD2-NH2 3.48Å; R226-N532 PolarHBondContact NH1-O 2.91Å; R226-N532 PolarHBondContact NH1-OD1 3.14Å; R226-N532 PolarHBondContact NH2-OD1 3.39Å
227	E	96.5	Very high	94.3	Very high	91 Å²	91	46.5 Å²	46.5	43%	0.425	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.6	173.4	-166.7	-179	99.1	0	0	110.3	M214 A215 N535	M214-E227 HydrophobicContact CB-CG 4.36Å; M214-E227 HydrophobicContact CE-CG 3.91Å; A215-E227 WeakPolarHBondContact O-CA 3.43Å; E227-N535 WeakPolarHBondContact O-CB 3.44Å
228	V	98.2	Very high	94.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148	-179.4	-57.4	0	0	0	0	112.1	M214 A215 D217 M531 N535	M214-V228 CarbonylContact C-O 3.56Å; M214-V228 VanDerWaalsContact CA-O 3.31Å; M214-V228 WeakPolarHBondContact CA-O 3.42Å; A215-V228 HydrophobicContact CB-CG2 4.18Å; A215-V228 PolarHBondContact N-O 3.38Å; A215-V228 PolarHBondContact O-N 3.29Å; D217-V228 HydrophobicContact CB-CG1 3.93Å; D217-V228 HydrophobicContact CB-CG2 4.18Å; V228-M531 HydrophobicContact CB-CE 4.48Å; V228-M531 HydrophobicContact CG1-CE 4.05Å; V228-M531 HydrophobicContact CG1-SD 4.45Å; V228-M531 HydrophobicContact CG2-CE 3.96Å; V228-N535 CarbonylContact C-O 3.41Å; V228-N535 VanDerWaalsContact CA-O 3.29Å; V228-N535 WeakPolarHBondContact CA-O 3.48Å; V228-N535 HydrophobicContact CG1-CB 4.14Å
229	S	98.6	Very high	94.7	Very high	11 Å²	11	44.8 Å²	44.8	8%	0.077	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	135.4	171.3	58.6	0	0	0	0	110.9	W231 N535 Y537	S229-W231 PolarHBondContact OG-NE1 2.58Å; S229-N535 PolarHBondContact N-O 3.03Å; S229-N535 PolarHBondContact OG-O 2.66Å; S229-Y537 PolarHBondContact O-N 3.45Å
230	V	98.8	Very high	95.2	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	108	-172.4	-175.7	0	0	0	0	112.9	P213 A215 Y537 H561	P213-V230 WeakPolarHBondContact O-CB 3.48Å; P213-V230 PolarHBondContact O-N 3.45Å; A215-V230 HydrophobicContact CB-CG2 3.51Å; V230-Y537 HydrophobicContact CG1-CD1 3.89Å; V230-Y537 HydrophobicContact CG2-CD1 4.21Å; V230-H561 PolarHBondContact O-CE1 3.42Å; V230-H561 PolarHBondContact O-NE2 3.11Å
231	W	98.8	Very high	95.8	Very high	1 Å²	1	47 Å²	47	0%	0.004	24%	0.235	C	C	.	.	S	Bend	trans	-104.7	-2.1	-173.5	-64.9	82.1	0	0	0	114.5	S229 L494 I536 Y537 V538 I555 A556 H561 M565 M566 F569	S229-W231 PolarHBondContact OG-NE1 2.58Å; W231-L494 HydrophobicContact CE3-CD2 4.19Å; W231-L494 HydrophobicContact CZ3-CD2 3.85Å; W231-I536 HydrophobicContact CG-CG2 4.41Å; W231-Y537 PolarHBondContact N-O 3.27Å; W231-V538 HydrophobicContact CB-CB 4.41Å; W231-I555 HydrophobicContact CB-CG2 4.45Å; W231-I555 HydrophobicContact CE3-CG2 4.3Å; W231-A556 PolarHBondContact O-N 2.99Å; W231-H561 AromaticContact CD2-CD2 3.62Å; W231-H561 AromaticContact CD2-NE2 3.57Å; W231-H561 AromaticContact CE2-CD2 3.54Å; W231-H561 AromaticContact CE2-NE2 3.79Å; W231-H561 AromaticContact CE3-CD2 3.54Å; W231-H561 AromaticContact CE3-NE2 3.72Å; W231-H561 AromaticContact CG-NE2 4Å; W231-H561 HydrophobicContact CH2-CB 4.01Å; W231-H561 AromaticContact CH2-CD2 3.36Å; W231-H561 WeakPolarHBondContact CH2-CD2 3.49Å; W231-H561 AromaticContact CH2-CG 3.93Å; W231-H561 AromaticContact CZ2-CD2 3.45Å; W231-H561 VanDerWaalsContact CZ2-CD2 3.45Å; W231-H561 WeakPolarHBondContact CZ2-CD2 3.43Å; W231-H561 HydrophobicContact CZ3-CB 4.02Å; W231-H561 AromaticContact CZ3-CD2 3.39Å; W231-H561 WeakPolarHBondContact CZ3-CD2 3.37Å; W231-H561 AromaticContact CZ3-CG 3.76Å; W231-M565 HydrophobicContact CH2-CB 4.05Å; W231-M565 HydrophobicContact CZ2-CB 3.88Å; W231-M565 WeakPolarHBondContact CZ2-O 3.29Å; W231-M566 HydrophobicContact CH2-CB 4.39Å; W231-M566 HydrophobicContact CH2-CG 3.91Å; W231-M566 HydrophobicContact CZ3-CG 4.1Å; W231-F569 HydrophobicContact CB-CD2 4.33Å; W231-F569 HydrophobicContact CB-CE2 3.87Å; W231-F569 AromaticContact CD1-CD2 3.74Å; W231-F569 HydrophobicContact CD2-CB 4.45Å; W231-F569 AromaticContact CD2-CD2 3.43Å; W231-F569 HydrophobicContact CD2-CD2 3.43Å; W231-F569 VanDerWaalsContact CD2-CD2 3.43Å; W231-F569 AromaticContact CD2-CE2 3.87Å; W231-F569 HydrophobicContact CD2-CE2 3.87Å; W231-F569 HydrophobicContact CD2-CG 4.02Å; W231-F569 AromaticContact CE2-CD2 3.49Å; W231-F569 VanDerWaalsContact CE2-CD2 3.49Å; W231-F569 AromaticContact CE2-CG 3.97Å; W231-F569 HydrophobicContact CE3-CD2 4.01Å; W231-F569 HydrophobicContact CE3-CE2 4.38Å; W231-F569 HydrophobicContact CE3-CG 4.22Å; W231-F569 AromaticContact CG-CD2 3.57Å; W231-F569 HydrophobicContact CG-CD2 3.57Å; W231-F569 AromaticContact CG-CE2 3.63Å; W231-F569 HydrophobicContact CG-CE2 3.63Å; W231-F569 HydrophobicContact CH2-CB 3.89Å; W231-F569 HydrophobicContact CH2-CG 4.31Å; W231-F569 HydrophobicContact CZ2-CB 3.61Å; W231-F569 HydrophobicContact CZ2-CD2 4.09Å; W231-F569 HydrophobicContact CZ2-CG 4.09Å; W231-F569 HydrophobicContact CZ3-CB 4.41Å; W231-F569 HydrophobicContact CZ3-CG 4.37Å; W231-F569 AromaticContact NE1-CD2 3.66Å
232	C	98.4	Very high	96.4	Very high	21 Å²	21	46.5 Å²	46.5	14%	0.142	23%	0.23	C	C	.	.	S	Bend	trans	-119.7	18.2	179.8	63.6	0	0	0	0	113.5	Q539	C232-Q539 HydrophobicContact CB-CB 4.12Å; C232-Q539 PolarHBondContact SG-N 3.03Å; C232-Q539 VanDerWaalsContact SG-N 3.44Å
233	S	98.5	Very high	96.9	Very high	18 Å²	18	44 Å²	44	13%	0.126	22%	0.222	C	C	.	.			trans	-72.9	144.2	173.5	-178.8	0	0	0	0	110.9	D235 A556	S233-D235 PolarHBondContact OG-N 3.08Å; S233-D235 VanDerWaalsContact OG-N 3.12Å; S233-A556 WeakPolarHBondContact O-CB 3.44Å
234	N	98.6	Very high	97.4	Very high	51 Å²	51	41 Å²	41	27%	0.273	20%	0.202	S	C	.	.	S	Bend	trans	-95.7	5.7	170	-63.2	-31.7	0	0	0	113.3	Y236 K428 R554	N234-Y236 HydrophobicContact CB-CE1 4.2Å; N234-Y236 HydrophobicContact CB-CE2 4.09Å; N234-Y236 WeakPolarHBondContact O-CD2 3.33Å; N234-Y236 WeakPolarHBondContact O-CE2 3.46Å; N234-Y236 PolarHBondContact O-N 3.13Å; N234-Y236 PolarHBondContact OD1-OH 3.02Å; N234-K428 HydrophobicContact CB-CB 4.34Å; N234-K428 HydrophobicContact CB-CD 4.16Å; N234-K428 HydrophobicContact CB-CG 3.81Å; N234-K428 CarbonylContact O-C 3.48Å; N234-K428 WeakPolarHBondContact O-CA 3.41Å; N234-K428 WeakPolarHBondContact O-CB 3.34Å; N234-R554 PolarHBondContact OD1-NH1 3.42Å
235	D	98.7	Very high	98	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	17%	0.174	C	C	.	.			trans	-77.5	66.9	164.4	-178.3	20.7	0	0	0	109.6	R207 F212 S233 L237 G238 M239 S240	R207-D235 IonicContact CZ-OD2 3.95Å; R207-D235 IonicContact NH1-OD2 3.84Å; R207-D235 IonicContact NH2-OD2 2.74Å; R207-D235 PolarHBondContact NH2-OD2 2.73Å; F212-D235 WeakPolarHBondContact CZ-O 3.3Å; S233-D235 PolarHBondContact OG-N 3.08Å; S233-D235 VanDerWaalsContact OG-N 3.12Å; D235-L237 PolarHBondContact O-N 3.03Å; D235-L237 VanDerWaalsContact O-N 3.13Å; D235-G238 PolarHBondContact O-N 2.86Å; D235-G238 VanDerWaalsContact O-N 3.12Å; D235-G238 WeakPolarHBondContact OD1-CA 3.41Å; D235-G238 PolarHBondContact OD1-N 2.7Å; D235-G238 WeakPolarHBondContact OD2-CA 3.37Å; D235-M239 PolarHBondContact OD1-N 3.23Å; D235-S240 PolarHBondContact OD1-N 3.4Å; D235-S240 VanDerWaalsContact OD2-CB 3.23Å; D235-S240 WeakPolarHBondContact OD2-CB 3.2Å; D235-S240 PolarHBondContact OD2-N 3.16Å; D235-S240 VanDerWaalsContact OD2-N 3.14Å; D235-S240 PolarHBondContact OD2-OG 3.17Å
236	Y	98.8	Very high	98.3	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-25.9	-165.5	-58.1	-64.8	0	0	0	114.7	N234 H397 L401 K428 A429 H511 R554 A556 T558 P559	N234-Y236 HydrophobicContact CB-CE1 4.2Å; N234-Y236 HydrophobicContact CB-CE2 4.09Å; N234-Y236 WeakPolarHBondContact O-CD2 3.33Å; N234-Y236 WeakPolarHBondContact O-CE2 3.46Å; N234-Y236 PolarHBondContact O-N 3.13Å; N234-Y236 PolarHBondContact OD1-OH 3.02Å; Y236-H397 AromaticContact CZ-ND1 3.99Å; Y236-H397 PolarHBondContact OH-CE1 3.37Å; Y236-H397 PolarHBondContact OH-ND1 3.48Å; Y236-L401 HydrophobicContact CD2-CD1 3.62Å; Y236-L401 HydrophobicContact CD2-CD2 4.43Å; Y236-L401 HydrophobicContact CD2-CG 4.46Å; Y236-L401 HydrophobicContact CE2-CD1 4.09Å; Y236-L401 HydrophobicContact CG-CD1 4.07Å; Y236-K428 HydrophobicContact CD2-CB 4.21Å; Y236-K428 HydrophobicContact CE2-CB 3.89Å; Y236-K428 HydrophobicContact CE2-CD 4.29Å; Y236-K428 HydrophobicContact CE2-CG 4.44Å; Y236-A429 HydrophobicContact CD2-CB 4.47Å; Y236-H511 AromaticContact CD1-CD2 3.71Å; Y236-H511 AromaticContact CD1-NE2 3.81Å; Y236-H511 AromaticContact CE1-CD2 3.67Å; Y236-H511 AromaticContact CE1-NE2 3.4Å; Y236-H511 WeakPolarHBondContact CE1-NE2 3.3Å; Y236-H511 AromaticContact CE2-NE2 3.64Å; Y236-H511 AromaticContact CZ-NE2 3.29Å; Y236-H511 VanDerWaalsContact CZ-NE2 3.29Å; Y236-R554 PolarHBondContact OH-NH2 2.56Å; Y236-A556 HydrophobicContact CD1-CB 4.04Å; Y236-A556 HydrophobicContact CE1-CB 3.79Å; Y236-T558 WeakPolarHBondContact O-CA 3.3Å; Y236-T558 WeakPolarHBondContact O-CB 3.45Å; Y236-T558 VanDerWaalsContact O-CG2 3.28Å; Y236-T558 WeakPolarHBondContact O-CG2 3.21Å; Y236-P559 WeakPolarHBondContact O-CD 3.26Å
237	L	98.8	Very high	98.5	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-1.7	-178.8	-58.6	-176.2	0	0	0	113	D235 M239 L401 A429 L475 L483 H487 P559 H560	D235-L237 PolarHBondContact O-N 3.03Å; D235-L237 VanDerWaalsContact O-N 3.13Å; L237-M239 VanDerWaalsContact C-N 3.34Å; L237-M239 HydrophobicContact CB-CG 4.02Å; L237-L401 HydrophobicContact CD1-CD2 3.88Å; L237-L401 HydrophobicContact CD2-CD2 3.82Å; L237-L401 HydrophobicContact CG-CD2 3.66Å; L237-A429 HydrophobicContact CD1-CB 4.5Å; L237-L475 HydrophobicContact CD1-CD1 3.77Å; L237-L475 HydrophobicContact CD1-CD2 3.6Å; L237-L475 HydrophobicContact CD1-CG 4.37Å; L237-L483 HydrophobicContact CD1-CB 4.44Å; L237-L483 HydrophobicContact CD2-CB 4.39Å; L237-H487 HydrophobicContact CD2-CB 3.9Å; L237-P559 HydrophobicContact CD2-CG 3.82Å; L237-H560 PolarHBondContact O-CD2 2.99Å; L237-H560 PolarHBondContact O-NE2 2.84Å
238	G	98.5	Very high	98.6	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	16%	0.164	C	C	.	.			trans	72.7	23.7	-175	0	0	0	0	0	113.8	D235 S240 R241	D235-G238 PolarHBondContact O-N 2.86Å; D235-G238 VanDerWaalsContact O-N 3.12Å; D235-G238 WeakPolarHBondContact OD1-CA 3.41Å; D235-G238 PolarHBondContact OD1-N 2.7Å; D235-G238 WeakPolarHBondContact OD2-CA 3.37Å; G238-S240 PolarHBondContact O-N 3.24Å; G238-R241 WeakPolarHBondContact O-CD 3.48Å; G238-R241 WeakPolarHBondContact O-CG 3.35Å; G238-R241 PolarHBondContact O-N 3.35Å
239	M	98.8	Very high	98.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-70.5	-20.7	-175.6	-67.6	-54.5	-68.9	0	0	112.7	D235 L237 R241 H242 V245 A429 S471 T474 L475 L483	D235-M239 PolarHBondContact OD1-N 3.23Å; L237-M239 VanDerWaalsContact C-N 3.34Å; L237-M239 HydrophobicContact CB-CG 4.02Å; M239-R241 PolarHBondContact O-N 2.59Å; M239-R241 VanDerWaalsContact O-N 3.09Å; M239-H242 HydrophobicContact CE-CB 3.85Å; M239-H242 WeakPolarHBondContact O-CB 3.5Å; M239-H242 PolarHBondContact O-N 3.04Å; M239-H242 VanDerWaalsContact O-N 3.1Å; M239-H242 HydrophobicContact SD-CB 4.04Å; M239-V245 HydrophobicContact CE-CG2 3.94Å; M239-A429 WeakPolarHBondContact CB-O 3.39Å; M239-A429 WeakPolarHBondContact CG-O 3.21Å; M239-S471 VanDerWaalsContact CE-OG 3.31Å; M239-S471 WeakPolarHBondContact CE-OG 3.34Å; M239-T474 HydrophobicContact CE-CG2 3.76Å; M239-L475 HydrophobicContact CE-CD2 4.29Å; M239-L475 HydrophobicContact CE-CG 4.38Å; M239-L475 HydrophobicContact CG-CD1 4.24Å; M239-L475 HydrophobicContact CG-CD2 4.19Å; M239-L475 HydrophobicContact CG-CG 4.39Å; M239-L475 HydrophobicContact SD-CD2 3.93Å; M239-L475 HydrophobicContact SD-CG 4.49Å; M239-L483 HydrophobicContact SD-CD1 4.15Å
240	S	98.7	Very high	98.7	Very high	43 Å²	43	38.3 Å²	38.3	30%	0.301	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-67	-12.2	177.4	92.5	0	0	0	0	113.2	R207 D235 G238 G431	R207-S240 PolarHBondContact NH1-OG 3.39Å; R207-S240 PolarHBondContact NH2-OG 2.92Å; D235-S240 PolarHBondContact OD1-N 3.4Å; D235-S240 VanDerWaalsContact OD2-CB 3.23Å; D235-S240 WeakPolarHBondContact OD2-CB 3.2Å; D235-S240 PolarHBondContact OD2-N 3.16Å; D235-S240 VanDerWaalsContact OD2-N 3.14Å; D235-S240 PolarHBondContact OD2-OG 3.17Å; G238-S240 PolarHBondContact O-N 3.24Å; S240-G431 VanDerWaalsContact CA-O 3.26Å; S240-G431 WeakPolarHBondContact CA-O 3.42Å; S240-G431 WeakPolarHBondContact CB-O 3.34Å
241	R	98.6	Very high	98.7	Very high	63 Å²	63	42.4 Å²	42.4	24%	0.238	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-119.2	7.3	174.4	63.7	67.5	170.6	-143	2	113.8	A209 F212 G238 M239 H560	A209-R241 HydrophobicContact CB-CB 3.83Å; A209-R241 WeakPolarHBondContact O-CB 3.41Å; F212-R241 HydrophobicContact CB-CG 3.83Å; F212-R241 HydrophobicContact CD2-CG 4.41Å; F212-R241 HydrophobicContact CG-CG 4.19Å; G238-R241 WeakPolarHBondContact O-CD 3.48Å; G238-R241 WeakPolarHBondContact O-CG 3.35Å; G238-R241 PolarHBondContact O-N 3.35Å; M239-R241 PolarHBondContact O-N 2.59Å; M239-R241 VanDerWaalsContact O-N 3.09Å; R241-H560 PolarHBondContact NH2-CE1 2.69Å; R241-H560 PolarHBondContact NH2-ND1 3.34Å
242	H	98.8	Very high	98.7	Very high	24 Å²	24	42.9 Å²	42.9	11%	0.111	22%	0.222	C	C	.	.			trans	-64.1	129.2	-175.7	-177.3	-79.8	0	0	0	110.5	M239 R244 V245 V246 E479	M239-H242 HydrophobicContact CE-CB 3.85Å; M239-H242 WeakPolarHBondContact O-CB 3.5Å; M239-H242 PolarHBondContact O-N 3.04Å; M239-H242 VanDerWaalsContact O-N 3.1Å; M239-H242 HydrophobicContact SD-CB 4.04Å; H242-R244 VanDerWaalsContact C-N 3.29Å; H242-R244 WeakPolarHBondContact CE1-CB 3.19Å; H242-R244 WeakPolarHBondContact CE1-CD 3.45Å; H242-R244 WeakPolarHBondContact CE1-CG 3.31Å; H242-R244 PolarHBondContact CE1-NE 3.03Å; H242-R244 PolarHBondContact ND1-N 2.88Å; H242-R244 VanDerWaalsContact ND1-N 3.14Å; H242-R244 PolarHBondContact O-N 2.72Å; H242-R244 VanDerWaalsContact O-N 3.16Å; H242-V245 HydrophobicContact CB-CB 4.12Å; H242-V245 HydrophobicContact CB-CG2 3.9Å; H242-V245 WeakPolarHBondContact O-CB 3.27Å; H242-V245 PolarHBondContact O-N 2.7Å; H242-V246 PolarHBondContact O-N 2.75Å; H242-E479 IonicContact CD2-OE1 3.13Å; H242-E479 PolarHBondContact CD2-OE1 3.37Å; H242-E479 IonicContact CE1-OE2 3.76Å; H242-E479 CovalentContact NE2-OE1 1.75Å; H242-E479 IonicContact NE2-OE1 2.8Å; H242-E479 PolarHBondContact NE2-OE1 2.88Å; H242-E479 IonicContact NE2-OE2 2.69Å; H242-E479 PolarHBondContact NE2-OE2 2.95Å
243	P	98.4	Very high	98.7	Very high	88 Å²	88	45.6 Å²	45.6	57%	0.571	23%	0.234	S	C	*	.	H	α-helix	trans	-56	-38.4	-170.7	-29	35.6	0	0	0	114.5	K247	P243-K247 VanDerWaalsContact O-CB 3.25Å; P243-K247 WeakPolarHBondContact O-CB 3.39Å; P243-K247 PolarHBondContact O-N 3.21Å
244	R	98.7	Very high	98.7	Very high	116 Å²	116	52.9 Å²	52.9	44%	0.438	27%	0.266	S	S	.	.	H	α-helix	trans	-69.7	-38	178.2	-60.4	-167.7	-81.8	157.7	-3.5	111.4	H242 S248 Q470 T474 E479	H242-R244 VanDerWaalsContact C-N 3.29Å; H242-R244 WeakPolarHBondContact CE1-CB 3.19Å; H242-R244 WeakPolarHBondContact CE1-CD 3.45Å; H242-R244 WeakPolarHBondContact CE1-CG 3.31Å; H242-R244 PolarHBondContact CE1-NE 3.03Å; H242-R244 PolarHBondContact ND1-N 2.88Å; H242-R244 VanDerWaalsContact ND1-N 3.14Å; H242-R244 PolarHBondContact O-N 2.72Å; H242-R244 VanDerWaalsContact O-N 3.16Å; R244-S248 WeakPolarHBondContact O-CB 3.34Å; R244-S248 PolarHBondContact O-N 3.5Å; R244-Q470 HydrophobicContact CB-CG 3.96Å; R244-T474 PolarHBondContact NH2-OG1 2.79Å; R244-E479 IonicContact CZ-OE2 3.58Å; R244-E479 IonicContact NE-OE2 3.34Å; R244-E479 IonicContact NH2-OE2 3.47Å; R244-E479 PolarHBondContact NH2-OE2 2.9Å
245	V	98.8	Very high	98.7	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-51	176.2	176.9	0	0	0	0	110.9	M239 H242 K247 S248 I249 Q470	M239-V245 HydrophobicContact CE-CG2 3.94Å; H242-V245 HydrophobicContact CB-CB 4.12Å; H242-V245 HydrophobicContact CB-CG2 3.9Å; H242-V245 WeakPolarHBondContact O-CB 3.27Å; H242-V245 PolarHBondContact O-N 2.7Å; V245-K247 VanDerWaalsContact C-N 3.34Å; V245-K247 PolarHBondContact O-N 3.23Å; V245-S248 WeakPolarHBondContact O-CB 3.1Å; V245-S248 PolarHBondContact O-N 3.21Å; V245-I249 HydrophobicContact CG1-CD1 4Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 3.42Å; V245-Q470 HydrophobicContact CG2-CG 4.38Å
246	V	98.7	Very high	98.7	Very high	50 Å²	50	62.3 Å²	62.3	30%	0.303	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-44.4	178.7	176.2	0	0	0	0	110.9	H242 I249 M250	H242-V246 PolarHBondContact O-N 2.75Å; V246-I249 PolarHBondContact O-N 3.25Å; V246-M250 HydrophobicContact CG1-CG 4.42Å; V246-M250 HydrophobicContact CG1-SD 3.94Å; V246-M250 WeakPolarHBondContact O-CG 3.49Å; V246-M250 PolarHBondContact O-N 3.02Å
247	K	98.7	Very high	98.7	Very high	130 Å²	130	63.8 Å²	63.8	57%	0.565	32%	0.321	S	S	*	.	H	α-helix	trans	-60	-47.1	175.6	-176.6	176.2	178.1	-177.8	0	112.3	P243 V245 I249 M250 D251	P243-K247 VanDerWaalsContact O-CB 3.25Å; P243-K247 WeakPolarHBondContact O-CB 3.39Å; P243-K247 PolarHBondContact O-N 3.21Å; V245-K247 VanDerWaalsContact C-N 3.34Å; V245-K247 PolarHBondContact O-N 3.23Å; K247-I249 VanDerWaalsContact C-N 3.29Å; K247-I249 PolarHBondContact O-N 3.08Å; K247-M250 PolarHBondContact O-N 3.35Å; K247-M250 VanDerWaalsContact O-N 3.14Å; K247-D251 WeakPolarHBondContact CE-OD2 3.33Å; K247-D251 WeakPolarHBondContact CG-OD2 3.38Å; K247-D251 WeakPolarHBondContact O-CB 3.29Å; K247-D251 PolarHBondContact O-N 2.97Å
248	S	98.8	Very high	98.6	Very high	24 Å²	24	67 Å²	67	17%	0.168	34%	0.344	C	S	.	.	H	α-helix	trans	-57.6	-40.4	177.2	-175.5	0	0	0	0	112.5	R244 V245 T252 A466	R244-S248 WeakPolarHBondContact O-CB 3.34Å; R244-S248 PolarHBondContact O-N 3.5Å; V245-S248 WeakPolarHBondContact O-CB 3.1Å; V245-S248 PolarHBondContact O-N 3.21Å; S248-T252 VanDerWaalsContact O-CB 3.27Å; S248-T252 WeakPolarHBondContact O-CB 3.28Å; S248-T252 PolarHBondContact O-N 3.24Å; S248-T252 VanDerWaalsContact O-N 3.16Å; S248-T252 PolarHBondContact O-OG1 2.82Å; S248-A466 PolarHBondContact OG-O 3.32Å
249	I	98.8	Very high	98.5	Very high	37 Å²	37	69.4 Å²	69.4	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-49.6	174.2	-64.4	164.8	0	0	0	110.4	V245 V246 K247 T252 L253 M463	V245-I249 HydrophobicContact CG1-CD1 4Å; V245-I249 WeakPolarHBondContact O-CG1 3.43Å; V245-I249 PolarHBondContact O-N 3.42Å; V246-I249 PolarHBondContact O-N 3.25Å; K247-I249 VanDerWaalsContact C-N 3.29Å; K247-I249 PolarHBondContact O-N 3.08Å; I249-T252 PolarHBondContact O-N 3.15Å; I249-L253 VanDerWaalsContact O-CB 3.26Å; I249-L253 WeakPolarHBondContact O-CB 3.28Å; I249-L253 PolarHBondContact O-N 3.36Å; I249-M463 WeakPolarHBondContact CG1-O 3.15Å; I249-M463 HydrophobicContact CG2-CB 4.18Å; I249-M463 HydrophobicContact CG2-CG 4.38Å; I249-M463 HydrophobicContact CG2-SD 4.49Å
250	M	98.8	Very high	98.5	Very high	118 Å²	118	70.2 Å²	70.2	58%	0.581	38%	0.375	S	S	*	.	H	α-helix	trans	-62.7	-48.2	-178.6	-71.8	177.1	66.8	0	0	112.8	V246 K247 T252 L253 Q254	V246-M250 HydrophobicContact CG1-CG 4.42Å; V246-M250 HydrophobicContact CG1-SD 3.94Å; V246-M250 WeakPolarHBondContact O-CG 3.49Å; V246-M250 PolarHBondContact O-N 3.02Å; K247-M250 PolarHBondContact O-N 3.35Å; K247-M250 VanDerWaalsContact O-N 3.14Å; M250-T252 VanDerWaalsContact C-N 3.28Å; M250-T252 PolarHBondContact O-N 2.89Å; M250-L253 PolarHBondContact O-N 3.32Å; M250-Q254 WeakPolarHBondContact O-CB 3.24Å; M250-Q254 PolarHBondContact O-N 3.1Å
251	D	98.8	Very high	98.4	Very high	93 Å²	93	71.5 Å²	71.5	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-61.2	-39.3	179.3	-69.5	-15.9	0	0	0	110.8	K247 K255	K247-D251 WeakPolarHBondContact CE-OD2 3.33Å; K247-D251 WeakPolarHBondContact CG-OD2 3.38Å; K247-D251 WeakPolarHBondContact O-CB 3.29Å; K247-D251 PolarHBondContact O-N 2.97Å; D251-K255 WeakPolarHBondContact O-CB 3.3Å; D251-K255 PolarHBondContact O-N 3.1Å
252	T	98.8	Very high	98.4	Very high	11 Å²	11	69.1 Å²	69.1	7%	0.067	39%	0.39	C	S	.	.	H	α-helix	trans	-73.5	-41.7	178	-56.3	0	0	0	0	112.2	S248 I249 M250 K255 H256 F272 P462 M463 A466	S248-T252 VanDerWaalsContact O-CB 3.27Å; S248-T252 WeakPolarHBondContact O-CB 3.28Å; S248-T252 PolarHBondContact O-N 3.24Å; S248-T252 VanDerWaalsContact O-N 3.16Å; S248-T252 PolarHBondContact O-OG1 2.82Å; I249-T252 PolarHBondContact O-N 3.15Å; M250-T252 VanDerWaalsContact C-N 3.28Å; M250-T252 PolarHBondContact O-N 2.89Å; T252-K255 PolarHBondContact O-N 2.83Å; T252-H256 WeakPolarHBondContact O-CB 3.38Å; T252-H256 PolarHBondContact O-N 3.3Å; T252-F272 HydrophobicContact CG2-CD1 4.47Å; T252-F272 HydrophobicContact CG2-CD2 4.48Å; T252-F272 HydrophobicContact CG2-CE1 3.94Å; T252-F272 HydrophobicContact CG2-CE2 3.96Å; T252-F272 HydrophobicContact CG2-CZ 3.65Å; T252-P462 HydrophobicContact CG2-CB 4.36Å; T252-M463 HydrophobicContact CG2-CB 4.18Å; T252-A466 HydrophobicContact CG2-CB 4.02Å; T252-A466 WeakPolarHBondContact OG1-CB 3.14Å
253	L	98.7	Very high	98.4	Very high	77 Å²	77	69.5 Å²	69.5	40%	0.403	40%	0.395	S	S	.	.	H	α-helix	trans	-58.9	-47	174.4	168.7	58	0	0	0	111.3	I249 M250 K255 G257 M463	I249-L253 VanDerWaalsContact O-CB 3.26Å; I249-L253 WeakPolarHBondContact O-CB 3.28Å; I249-L253 PolarHBondContact O-N 3.36Å; M250-L253 PolarHBondContact O-N 3.32Å; L253-K255 PolarHBondContact O-N 3.37Å; L253-G257 VanDerWaalsContact O-CA 3.3Å; L253-G257 WeakPolarHBondContact O-CA 3.44Å; L253-G257 PolarHBondContact O-N 2.9Å; L253-M463 HydrophobicContact CB-CB 4.15Å; L253-M463 HydrophobicContact CB-SD 3.86Å; L253-M463 HydrophobicContact CD1-SD 3.77Å; L253-M463 HydrophobicContact CD2-SD 4.18Å; L253-M463 HydrophobicContact CG-SD 4.13Å
254	Q	98.6	Very high	98.4	Very high	172 Å²	172	66.9 Å²	66.9	80%	0.804	37%	0.374	S	S	*	.	H	α-helix	trans	-63.2	-30	-179.5	-176	56.4	60.2	0	0	112.7	M250	M250-Q254 WeakPolarHBondContact O-CB 3.24Å; M250-Q254 PolarHBondContact O-N 3.1Å
255	K	98.5	Very high	98.3	Very high	164 Å²	164	68.5 Å²	68.5	71%	0.713	39%	0.391	S	S	*	.	H	α-helix	trans	-94.3	-32.7	-177	-172.1	174.1	177.1	172.9	0	114.3	D251 T252 L253	D251-K255 WeakPolarHBondContact O-CB 3.3Å; D251-K255 PolarHBondContact O-N 3.1Å; T252-K255 PolarHBondContact O-N 2.83Å; L253-K255 PolarHBondContact O-N 3.37Å
256	H	98.5	Very high	98.3	Very high	91 Å²	91	73.8 Å²	73.8	42%	0.421	42%	0.418	S	S	.	.	H	α-helix	trans	-125.6	-1.3	-169.1	-63.1	-67.6	0	0	0	114.3	T252 F272	T252-H256 WeakPolarHBondContact O-CB 3.38Å; T252-H256 PolarHBondContact O-N 3.3Å; H256-F272 AromaticContact CD2-CE2 3.61Å; H256-F272 AromaticContact CD2-CZ 3.72Å; H256-F272 AromaticContact NE2-CE2 3.81Å; H256-F272 AromaticContact NE2-CZ 3.86Å
257	G	98.1	Very high	98.2	Very high	32 Å²	32	76.2 Å²	76.2	33%	0.33	44%	0.437	S	S	.	.			trans	76.3	-166.2	-179.4	0	0	0	0	0	113.5	L253	L253-G257 VanDerWaalsContact O-CA 3.3Å; L253-G257 WeakPolarHBondContact O-CA 3.44Å; L253-G257 PolarHBondContact O-N 2.9Å
258	S	97.1	Very high	98.2	Very high	70 Å²	70	70.1 Å²	70.1	49%	0.49	41%	0.411	S	S	.	.	S	Bend	trans	-89.1	-76.6	-173	176.7	0	0	0	0	112.7	P461	S258-P461 VanDerWaalsContact O-CB 3.27Å; S258-P461 WeakPolarHBondContact O-CB 3.2Å
259	G	97.4	Very high	98.2	Very high	52 Å²	52	71.8 Å²	71.8	54%	0.536	42%	0.42	S	S	.	.	S	Bend	trans	-78.1	151.2	-174.7	0	0	0	0	0	113.9	G261	G259-G261 PolarHBondContact O-N 3.39Å
260	A	97.9	Very high	98.2	Very high	18 Å²	18	71.6 Å²	71.6	15%	0.149	42%	0.422	C	S	.	.			trans	-67	-17.1	173.7	0	0	0	0	0	114	G262 S459	A260-G262 VanDerWaalsContact C-N 3.29Å; A260-G262 PolarHBondContact O-N 3Å; A260-S459 WeakPolarHBondContact CB-O 3.27Å
261	G	97.6	Very high	98.2	Very high	71 Å²	71	71.4 Å²	71.4	73%	0.732	42%	0.418	S	S	*	.			trans	81	-8.9	174.3	0	0	0	0	0	116.2	G259	G259-G261 PolarHBondContact O-N 3.39Å
262	G	97.8	Very high	98.2	Very high	12 Å²	12	68 Å²	68	12%	0.124	40%	0.399	C	S	.	.	S	Bend	trans	-172	-172.8	178	0	0	0	0	0	114	A260 I266 S459	A260-G262 VanDerWaalsContact C-N 3.29Å; A260-G262 PolarHBondContact O-N 3Å; G262-I266 CarbonylContact C-O 3.57Å; G262-I266 WeakPolarHBondContact CA-O 3.19Å; G262-S459 PolarHBondContact O-N 3.14Å
263	T	98.5	Very high	98.2	Very high	33 Å²	33	67.5 Å²	67.5	20%	0.202	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-76.7	167.9	175.6	73.4	0	0	0	0	110.7	N265 I266 G268 T457	T263-N265 PolarHBondContact O-N 3.24Å; T263-N265 VanDerWaalsContact O-N 3.12Å; T263-I266 PolarHBondContact N-O 3.4Å; T263-I266 CarbonylContact O-C 3.12Å; T263-I266 PolarHBondContact O-N 3.39Å; T263-I266 PolarHBondContact OG1-N 2.74Å; T263-G268 WeakPolarHBondContact O-CA 3.25Å; T263-G268 PolarHBondContact O-N 2.99Å; T263-T457 WeakPolarHBondContact CA-O 3.29Å; T263-T457 WeakPolarHBondContact CB-O 3.41Å; T263-T457 WeakPolarHBondContact CG2-O 3.47Å
264	R	98.4	Very high	98.2	Very high	33 Å²	33	66.9 Å²	66.9	13%	0.125	40%	0.395	C	S	.	.	I	π-helix	trans	-51.1	-38.6	178	-73.4	-69.4	-60.7	-97.2	9.3	113.3	T269 E277 F454 S459	R264-T269 WeakPolarHBondContact CA-OG1 3.3Å; R264-T269 WeakPolarHBondContact CD-OG1 3.49Å; R264-T269 PolarHBondContact NE-OG1 3.26Å; R264-T269 WeakPolarHBondContact O-CB 3.49Å; R264-T269 PolarHBondContact O-N 3.39Å; R264-T269 PolarHBondContact O-OG1 2.96Å; R264-E277 IonicContact CZ-OE1 3.66Å; R264-E277 IonicContact CZ-OE2 3.87Å; R264-E277 IonicContact NH1-OE1 3.26Å; R264-E277 PolarHBondContact NH1-OE1 3.25Å; R264-E277 IonicContact NH1-OE2 2.7Å; R264-E277 IonicContact NH2-OE1 3.95Å; R264-E277 PolarHBondContact NH2-OE1 3.47Å; R264-E277 IonicContact NH2-OE2 2.64Å; R264-E277 PolarHBondContact NH2-OE2 3.45Å; R264-F454 HydrophobicContact CB-CE1 4.3Å; R264-F454 HydrophobicContact CB-CZ 4.08Å; R264-F454 HydrophobicContact CG-CE1 4.28Å; R264-F454 HydrophobicContact CG-CE2 3.97Å; R264-F454 HydrophobicContact CG-CZ 3.67Å; R264-S459 WeakPolarHBondContact CD-OG 3.37Å
265	N	97.9	Very high	98.2	Very high	149 Å²	149	60.6 Å²	60.6	80%	0.797	37%	0.366	S	S	*	.	I	π-helix	trans	-81.6	-27.2	179.9	-166.8	60	0	0	0	113.8	T263	T263-N265 PolarHBondContact O-N 3.24Å; T263-N265 VanDerWaalsContact O-N 3.12Å
266	I	97.4	Very high	98.2	Very high	112 Å²	112	52.8 Å²	52.8	57%	0.574	33%	0.332	S	S	*	.	I	π-helix	trans	-113.3	88.6	-174.4	-53.2	174.8	0	0	0	108.1	G262 T263 G268	G262-I266 CarbonylContact C-O 3.57Å; G262-I266 WeakPolarHBondContact CA-O 3.19Å; T263-I266 PolarHBondContact N-O 3.4Å; T263-I266 CarbonylContact O-C 3.12Å; T263-I266 PolarHBondContact O-N 3.39Å; T263-I266 PolarHBondContact OG1-N 2.74Å; I266-G268 PolarHBondContact O-N 3.32Å
267	S	97.2	Very high	98.3	Very high	102 Å²	102	49.6 Å²	49.6	71%	0.713	32%	0.317	S	S	*	.	I	π-helix	trans	54.2	-4.9	179.8	59.7	0	0	0	0	118.4
268	G	98.4	Very high	98.3	Very high	1 Å²	1	54 Å²	54	1%	0.01	33%	0.329	C	S	.	.	I	π-helix	trans	-82	-11.9	-177.3	0	0	0	0	0	115.9	T263 I266 S270 H273 S459	T263-G268 WeakPolarHBondContact O-CA 3.25Å; T263-G268 PolarHBondContact O-N 2.99Å; I266-G268 PolarHBondContact O-N 3.32Å; G268-S270 PolarHBondContact O-N 2.8Å; G268-H273 PolarHBondContact O-CE1 2.89Å; G268-H273 PolarHBondContact O-NE2 2.88Å; G268-S459 WeakPolarHBondContact O-CB 3.47Å
269	T	98.8	Very high	98.4	Very high	59 Å²	59	51.8 Å²	51.8	36%	0.362	31%	0.311	S	S	.	.			trans	-82.7	113.5	170.8	-62	0	0	0	0	110.3	R264 H273 V274	R264-T269 WeakPolarHBondContact CA-OG1 3.3Å; R264-T269 WeakPolarHBondContact CD-OG1 3.49Å; R264-T269 PolarHBondContact NE-OG1 3.26Å; R264-T269 WeakPolarHBondContact O-CB 3.49Å; R264-T269 PolarHBondContact O-N 3.39Å; R264-T269 PolarHBondContact O-OG1 2.96Å; T269-H273 HydrophobicContact CG2-CB 4.35Å; T269-V274 HydrophobicContact CG2-CG2 4.2Å
270	S	98.8	Very high	98.5	Very high	33 Å²	33	49.3 Å²	49.3	23%	0.231	29%	0.285	C	S	.	.			trans	-108.5	166.9	171.8	73.4	0	0	0	0	111.4	G268 F272 H273	G268-S270 PolarHBondContact O-N 2.8Å; S270-F272 PolarHBondContact O-N 2.97Å; S270-H273 PolarHBondContact N-ND1 2.89Å; S270-H273 VanDerWaalsContact N-ND1 3.16Å; S270-H273 WeakPolarHBondContact O-CB 3.34Å; S270-H273 PolarHBondContact O-N 3.48Å; S270-H273 PolarHBondContact O-ND1 3.46Å; S270-H273 PolarHBondContact OG-CE1 2.81Å; S270-H273 PolarHBondContact OG-ND1 3.44Å
271	K	98.6	Very high	98.5	Very high	115 Å²	115	48.9 Å²	48.9	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-52	-33.7	176.4	78.6	-179.2	-161.4	85.7	0	113.2	H273 V274 E275	K271-H273 PolarHBondContact O-N 3.4Å; K271-V274 PolarHBondContact O-N 3.39Å; K271-E275 WeakPolarHBondContact CD-OE1 3.2Å; K271-E275 WeakPolarHBondContact CG-OE1 3.34Å; K271-E275 IonicContact NZ-OE1 2.63Å; K271-E275 PolarHBondContact NZ-OE1 2.75Å; K271-E275 IonicContact NZ-OE2 3.29Å; K271-E275 PolarHBondContact NZ-OE2 3.04Å; K271-E275 VanDerWaalsContact O-CB 3.31Å; K271-E275 WeakPolarHBondContact O-CB 3.25Å; K271-E275 VanDerWaalsContact O-CG 3.24Å; K271-E275 WeakPolarHBondContact O-CG 3.17Å; K271-E275 PolarHBondContact O-N 2.84Å
272	F	98.8	Very high	98.5	Very high	21 Å²	21	49.5 Å²	49.5	9%	0.092	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-21.4	-179.9	-55.7	-84.5	0	0	0	113.4	T252 H256 S270 L276 P462 L465 A466	T252-F272 HydrophobicContact CG2-CD1 4.47Å; T252-F272 HydrophobicContact CG2-CD2 4.48Å; T252-F272 HydrophobicContact CG2-CE1 3.94Å; T252-F272 HydrophobicContact CG2-CE2 3.96Å; T252-F272 HydrophobicContact CG2-CZ 3.65Å; H256-F272 AromaticContact CD2-CE2 3.61Å; H256-F272 AromaticContact CD2-CZ 3.72Å; H256-F272 AromaticContact NE2-CE2 3.81Å; H256-F272 AromaticContact NE2-CZ 3.86Å; S270-F272 PolarHBondContact O-N 2.97Å; F272-L276 VanDerWaalsContact O-CB 3.23Å; F272-L276 WeakPolarHBondContact O-CB 3.47Å; F272-L276 PolarHBondContact O-N 3.41Å; F272-P462 HydrophobicContact CD2-CB 3.84Å; F272-P462 HydrophobicContact CE2-CB 4.39Å; F272-P462 HydrophobicContact CG-CB 4.42Å; F272-L465 HydrophobicContact CB-CB 4.05Å; F272-A466 HydrophobicContact CD1-CB 3.73Å; F272-A466 HydrophobicContact CE1-CB 3.93Å
273	H	98.9	Very high	98.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-73.1	-54	170.3	-63.4	71.9	0	0	0	109.9	G268 T269 S270 K271 E275 L276 E277 L291 S459 L460 L465	G268-H273 PolarHBondContact O-CE1 2.89Å; G268-H273 PolarHBondContact O-NE2 2.88Å; T269-H273 HydrophobicContact CG2-CB 4.35Å; S270-H273 PolarHBondContact N-ND1 2.89Å; S270-H273 VanDerWaalsContact N-ND1 3.16Å; S270-H273 WeakPolarHBondContact O-CB 3.34Å; S270-H273 PolarHBondContact O-N 3.48Å; S270-H273 PolarHBondContact O-ND1 3.46Å; S270-H273 PolarHBondContact OG-CE1 2.81Å; S270-H273 PolarHBondContact OG-ND1 3.44Å; K271-H273 PolarHBondContact O-N 3.4Å; H273-E275 PolarHBondContact O-N 2.87Å; H273-L276 PolarHBondContact O-N 2.96Å; H273-E277 WeakPolarHBondContact O-CB 3.42Å; H273-E277 WeakPolarHBondContact O-CG 3.26Å; H273-E277 PolarHBondContact O-N 3.4Å; H273-L291 HydrophobicContact CB-CD1 4.39Å; H273-S459 PolarHBondContact CD2-OG 2.69Å; H273-S459 VanDerWaalsContact CD2-OG 3.26Å; H273-S459 PolarHBondContact NE2-OG 2.97Å; H273-L460 PolarHBondContact CE1-O 3.3Å; H273-L460 PolarHBondContact NE2-O 2.86Å; H273-L465 HydrophobicContact CB-CD1 4.22Å; H273-L465 VanDerWaalsContact CD2-CD1 3.42Å; H273-L465 WeakPolarHBondContact CD2-CD1 3.3Å; H273-L465 VanDerWaalsContact CE1-CD1 3.46Å; H273-L465 WeakPolarHBondContact CE1-CD1 3.27Å; H273-L465 VanDerWaalsContact CG-CD1 3.46Å; H273-L465 WeakPolarHBondContact ND1-CD1 3.35Å; H273-L465 WeakPolarHBondContact NE2-CD1 3.36Å
274	V	98.9	Very high	98.6	Very high	63 Å²	63	47.4 Å²	47.4	38%	0.382	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-47.5	-178.1	-178	0	0	0	0	111.2	T269 K271 L276 E277 Q278	T269-V274 HydrophobicContact CG2-CG2 4.2Å; K271-V274 PolarHBondContact O-N 3.39Å; V274-L276 VanDerWaalsContact C-N 3.28Å; V274-L276 PolarHBondContact O-N 2.82Å; V274-E277 PolarHBondContact O-N 3.37Å; V274-Q278 WeakPolarHBondContact O-CB 3.47Å; V274-Q278 VanDerWaalsContact O-CG 3.29Å; V274-Q278 WeakPolarHBondContact O-CG 2.92Å; V274-Q278 PolarHBondContact O-N 3Å
275	E	98.9	Very high	98.6	Very high	41 Å²	41	50 Å²	50	19%	0.192	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-35.4	177.6	-74	170.6	-165.5	0	0	112.6	K271 H273 E279 R469	K271-E275 WeakPolarHBondContact CD-OE1 3.2Å; K271-E275 WeakPolarHBondContact CG-OE1 3.34Å; K271-E275 IonicContact NZ-OE1 2.63Å; K271-E275 PolarHBondContact NZ-OE1 2.75Å; K271-E275 IonicContact NZ-OE2 3.29Å; K271-E275 PolarHBondContact NZ-OE2 3.04Å; K271-E275 VanDerWaalsContact O-CB 3.31Å; K271-E275 WeakPolarHBondContact O-CB 3.25Å; K271-E275 VanDerWaalsContact O-CG 3.24Å; K271-E275 WeakPolarHBondContact O-CG 3.17Å; K271-E275 PolarHBondContact O-N 2.84Å; H273-E275 PolarHBondContact O-N 2.87Å; E275-E279 WeakPolarHBondContact O-CB 3.28Å; E275-E279 PolarHBondContact O-N 3.43Å; E275-R469 VanDerWaalsContact CD-NH1 3.31Å; E275-R469 IonicContact OE2-CZ 2.73Å; E275-R469 IonicContact OE2-NH1 3.49Å; E275-R469 PolarHBondContact OE2-NH1 2.94Å
276	L	98.9	Very high	98.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-80.8	-36.9	178.8	177.6	60.4	0	0	0	112.1	F272 H273 V274 Q278 E279 L280 L291 L426 L465 A468 R469 I472	F272-L276 VanDerWaalsContact O-CB 3.23Å; F272-L276 WeakPolarHBondContact O-CB 3.47Å; F272-L276 PolarHBondContact O-N 3.41Å; H273-L276 PolarHBondContact O-N 2.96Å; V274-L276 VanDerWaalsContact C-N 3.28Å; V274-L276 PolarHBondContact O-N 2.82Å; L276-Q278 VanDerWaalsContact C-N 3.29Å; L276-Q278 PolarHBondContact O-N 3.1Å; L276-E279 PolarHBondContact O-N 3.26Å; L276-L280 HydrophobicContact CD1-CD1 4.14Å; L276-L280 HydrophobicContact CD1-CG 4.08Å; L276-L280 HydrophobicContact CG-CD1 3.99Å; L276-L280 HydrophobicContact CG-CG 4.4Å; L276-L280 WeakPolarHBondContact O-CB 3.44Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 2.91Å; L276-L291 HydrophobicContact CB-CD1 4.23Å; L276-L291 HydrophobicContact CD2-CD1 3.91Å; L276-L291 HydrophobicContact CD2-CD2 3.81Å; L276-L291 HydrophobicContact CD2-CG 4.5Å; L276-L291 HydrophobicContact CG-CD1 4.16Å; L276-L291 HydrophobicContact CG-CD2 4.18Å; L276-L426 HydrophobicContact CD2-CD1 3.9Å; L276-L465 HydrophobicContact CD2-CB 3.97Å; L276-L465 HydrophobicContact CD2-CD2 3.83Å; L276-L465 HydrophobicContact CD2-CG 4.42Å; L276-A468 HydrophobicContact CD2-CB 4.07Å; L276-R469 HydrophobicContact CD1-CB 4.06Å; L276-I472 HydrophobicContact CD1-CD1 3.49Å; L276-I472 VanDerWaalsContact CD1-CD1 3.49Å
277	E	98.9	Very high	98.7	Very high	23 Å²	23	44.2 Å²	44.2	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-39.2	172.5	-74.6	172.7	155.4	0	0	110.9	R264 H273 V274 A281 A289 L291	R264-E277 IonicContact CZ-OE1 3.66Å; R264-E277 IonicContact CZ-OE2 3.87Å; R264-E277 IonicContact NH1-OE1 3.26Å; R264-E277 PolarHBondContact NH1-OE1 3.25Å; R264-E277 IonicContact NH1-OE2 2.7Å; R264-E277 IonicContact NH2-OE1 3.95Å; R264-E277 PolarHBondContact NH2-OE1 3.47Å; R264-E277 IonicContact NH2-OE2 2.64Å; R264-E277 PolarHBondContact NH2-OE2 3.45Å; H273-E277 WeakPolarHBondContact O-CB 3.42Å; H273-E277 WeakPolarHBondContact O-CG 3.26Å; H273-E277 PolarHBondContact O-N 3.4Å; V274-E277 PolarHBondContact O-N 3.37Å; E277-A281 WeakPolarHBondContact O-CB 3.31Å; E277-A281 PolarHBondContact O-N 3.36Å; E277-A289 WeakPolarHBondContact O-CB 3.49Å; E277-L291 HydrophobicContact CG-CB 4.38Å; E277-L291 HydrophobicContact CG-CD1 3.77Å; E277-L291 HydrophobicContact CG-CG 3.7Å; E277-L291 PolarHBondContact OE1-N 3.47Å
278	Q	98.9	Very high	98.8	Very high	125 Å²	125	40.4 Å²	40.4	58%	0.584	22%	0.22	S	C	*	.	H	α-helix	trans	-65.9	-44.4	171.2	-71.2	170.2	-16.1	0	0	112.9	V274 L276 L280 A281 D282	V274-Q278 WeakPolarHBondContact O-CB 3.47Å; V274-Q278 VanDerWaalsContact O-CG 3.29Å; V274-Q278 WeakPolarHBondContact O-CG 2.92Å; V274-Q278 PolarHBondContact O-N 3Å; L276-Q278 VanDerWaalsContact C-N 3.29Å; L276-Q278 PolarHBondContact O-N 3.1Å; Q278-L280 VanDerWaalsContact C-N 3.28Å; Q278-L280 PolarHBondContact O-N 2.83Å; Q278-A281 PolarHBondContact O-N 2.97Å; Q278-D282 PolarHBondContact O-N 3.22Å
279	E	98.9	Very high	98.8	Very high	23 Å²	23	40.8 Å²	40.8	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-62.6	-34.7	178.1	-169.1	78.9	-133.5	0	0	112.4	E275 L276 L283 R469 I472 Q473 K476	E275-E279 WeakPolarHBondContact O-CB 3.28Å; E275-E279 PolarHBondContact O-N 3.43Å; L276-E279 PolarHBondContact O-N 3.26Å; E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 PolarHBondContact O-N 3.12Å; E279-R469 HydrophobicContact CB-CG 4.32Å; E279-R469 HydrophobicContact CG-CG 4.12Å; E279-R469 IonicContact OE2-CZ 3.12Å; E279-R469 IonicContact OE2-NE 2.73Å; E279-R469 PolarHBondContact OE2-NE 2.96Å; E279-R469 IonicContact OE2-NH2 2.91Å; E279-I472 HydrophobicContact CG-CB 4.37Å; E279-I472 HydrophobicContact CG-CG2 3.77Å; E279-Q473 HydrophobicContact CG-CG 4.42Å; E279-Q473 WeakPolarHBondContact OE1-CG 3.42Å; E279-Q473 PolarHBondContact OE2-NE2 2.98Å; E279-K476 IonicContact OE1-NZ 3.26Å; E279-K476 PolarHBondContact OE1-NZ 2.84Å
280	L	98.9	Very high	98.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-74.8	-39.8	176.1	-72.7	168.6	0	0	0	112.3	L276 Q278 L283 H284 A289 L291 L426 Y436 I472	L276-L280 HydrophobicContact CD1-CD1 4.14Å; L276-L280 HydrophobicContact CD1-CG 4.08Å; L276-L280 HydrophobicContact CG-CD1 3.99Å; L276-L280 HydrophobicContact CG-CG 4.4Å; L276-L280 WeakPolarHBondContact O-CB 3.44Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 2.91Å; Q278-L280 VanDerWaalsContact C-N 3.28Å; Q278-L280 PolarHBondContact O-N 2.83Å; L280-L283 HydrophobicContact CD2-CD2 4.41Å; L280-L283 PolarHBondContact O-N 2.85Å; L280-H284 PolarHBondContact O-CD2 3.42Å; L280-H284 VanDerWaalsContact O-CD2 3.3Å; L280-H284 PolarHBondContact O-N 2.92Å; L280-H284 VanDerWaalsContact O-N 3.09Å; L280-A289 HydrophobicContact CB-CB 3.72Å; L280-L291 HydrophobicContact CD1-CD2 3.87Å; L280-L426 HydrophobicContact CD2-CD2 4.4Å; L280-Y436 HydrophobicContact CD1-CD1 3.75Å; L280-Y436 HydrophobicContact CD1-CD2 4.27Å; L280-Y436 HydrophobicContact CD1-CE1 4.33Å; L280-Y436 HydrophobicContact CD1-CG 3.71Å; L280-Y436 HydrophobicContact CD2-CD1 3.81Å; L280-Y436 HydrophobicContact CD2-CD2 4.24Å; L280-Y436 HydrophobicContact CD2-CE1 3.5Å; L280-Y436 VanDerWaalsContact CD2-CE1 3.5Å; L280-Y436 HydrophobicContact CD2-CE2 3.98Å; L280-Y436 HydrophobicContact CD2-CG 4.16Å; L280-Y436 HydrophobicContact CG-CD1 4.42Å; L280-Y436 HydrophobicContact CG-CG 4.46Å; L280-I472 HydrophobicContact CD2-CD1 3.67Å; L280-I472 HydrophobicContact CG-CD1 4.24Å
281	A	98.9	Very high	98.8	Very high	10 Å²	10	37 Å²	37	8%	0.083	20%	0.197	C	C	.	.	H	α-helix	trans	-59.7	-46	172.3	0	0	0	0	0	111.4	E277 Q278 H284 S285 K286 A289	E277-A281 WeakPolarHBondContact O-CB 3.31Å; E277-A281 PolarHBondContact O-N 3.36Å; Q278-A281 PolarHBondContact O-N 2.97Å; A281-H284 CarbonylContact O-C 3.36Å; A281-H284 PolarHBondContact O-N 3.15Å; A281-S285 PolarHBondContact O-N 2.9Å; A281-K286 WeakPolarHBondContact CB-O 3.41Å; A281-K286 PolarHBondContact O-N 3.43Å; A281-A289 HydrophobicContact CB-CB 4.4Å
282	D	98.8	Very high	98.8	Very high	83 Å²	83	31.8 Å²	31.8	44%	0.444	18%	0.175	S	C	.	.	H	α-helix	trans	-66.9	-38.2	173.7	172.9	62.9	0	0	0	112.8	Q278 H284 S285 R405 K476	Q278-D282 PolarHBondContact O-N 3.22Å; D282-H284 PolarHBondContact O-N 3.2Å; D282-S285 PolarHBondContact O-N 2.92Å; D282-R405 PolarHBondContact O-NH2 3.36Å; D282-R405 IonicContact OD1-NH2 2.71Å; D282-R405 PolarHBondContact OD1-NH2 3.29Å; D282-R405 VanDerWaalsContact OD1-NH2 3.13Å; D282-R405 IonicContact OD2-CZ 3.73Å; D282-R405 IonicContact OD2-NH2 3.96Å; D282-R405 PolarHBondContact OD2-NH2 3.25Å; D282-K476 IonicContact OD2-NZ 3.91Å; D282-K476 PolarHBondContact OD2-NZ 3.23Å
283	L	98.8	Very high	98.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-39.7	174.2	176.2	64.1	0	0	0	111.2	E279 L280 R405 M416 F430 I472 K476	E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 PolarHBondContact O-N 3.12Å; L280-L283 HydrophobicContact CD2-CD2 4.41Å; L280-L283 PolarHBondContact O-N 2.85Å; L283-R405 HydrophobicContact CD1-CB 4.42Å; L283-M416 WeakPolarHBondContact O-CE 3.49Å; L283-F430 HydrophobicContact CD2-CZ 3.92Å; L283-I472 HydrophobicContact CD2-CG2 4.21Å; L283-K476 HydrophobicContact CD1-CD 4.02Å; L283-K476 HydrophobicContact CD1-CG 3.83Å
284	H	98.8	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-98	-2	-173.3	-75.4	-64.9	0	0	0	115.6	L280 A281 D282 K286 G407 I422 Y436 A438	L280-H284 PolarHBondContact O-CD2 3.42Å; L280-H284 VanDerWaalsContact O-CD2 3.3Å; L280-H284 PolarHBondContact O-N 2.92Å; L280-H284 VanDerWaalsContact O-N 3.09Å; A281-H284 CarbonylContact O-C 3.36Å; A281-H284 PolarHBondContact O-N 3.15Å; D282-H284 PolarHBondContact O-N 3.2Å; H284-K286 VanDerWaalsContact C-N 3.3Å; H284-K286 HydrophobicContact CB-CG 3.96Å; H284-K286 PolarHBondContact O-N 3.1Å; H284-G407 PolarHBondContact CE1-O 3.29Å; H284-I422 HydrophobicContact CB-CD1 4.16Å; H284-Y436 AromaticContact CD2-CE2 3.67Å; H284-Y436 AromaticContact NE2-CE2 3.37Å; H284-Y436 WeakPolarHBondContact NE2-CE2 3.31Å; H284-Y436 AromaticContact NE2-CZ 3.56Å; H284-Y436 PolarHBondContact NE2-OH 2.93Å; H284-A438 HydrophobicContact CB-CB 3.89Å
285	S	98.1	Very high	98.8	Very high	87 Å²	87	32 Å²	32	61%	0.608	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	48.2	-172.1	-57.4	0	0	0	0	112.4	A281 D282	A281-S285 PolarHBondContact O-N 2.9Å; D282-S285 PolarHBondContact O-N 2.92Å
286	K	98.8	Very high	98.8	Very high	32 Å²	32	33.7 Å²	33.7	14%	0.139	19%	0.187	C	C	.	.			trans	-121.1	156.7	177.9	-59.7	-63	164.1	-179.6	0	110.8	A281 H284 A288 M416 M419 A438	A281-K286 WeakPolarHBondContact CB-O 3.41Å; A281-K286 PolarHBondContact O-N 3.43Å; H284-K286 VanDerWaalsContact C-N 3.3Å; H284-K286 HydrophobicContact CB-CG 3.96Å; H284-K286 PolarHBondContact O-N 3.1Å; K286-A288 VanDerWaalsContact C-N 3.26Å; K286-A288 PolarHBondContact O-N 3.02Å; K286-M416 WeakPolarHBondContact CE-O 3.46Å; K286-M416 PolarHBondContact NZ-O 3.09Å; K286-M419 WeakPolarHBondContact CE-O 3.27Å; K286-M419 PolarHBondContact NZ-O 2.97Å; K286-A438 HydrophobicContact CB-CB 4.2Å; K286-A438 HydrophobicContact CG-CB 4.05Å
287	D	98.8	Very high	98.8	Very high	109 Å²	109	35.3 Å²	35.3	58%	0.583	20%	0.197	S	C	*	.	S	Bend	trans	-57.3	-39.6	179	-53	-2	0	0	0	112.8	T440 S441	D287-T440 WeakPolarHBondContact OD2-CA 3.48Å; D287-S441 PolarHBondContact OD2-N 2.95Å; D287-S441 PolarHBondContact OD2-OG 3.29Å; D287-S441 VanDerWaalsContact OD2-OG 3.06Å
288	A	98.9	Very high	98.8	Very high	22 Å²	22	34.2 Å²	34.2	18%	0.182	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	159.9	-171.7	0	0	0	0	0	112.1	K286 A438 S439 V444	K286-A288 VanDerWaalsContact C-N 3.26Å; K286-A288 PolarHBondContact O-N 3.02Å; A288-A438 WeakPolarHBondContact O-CA 3.01Å; A288-S439 PolarHBondContact N-O 3.39Å; A288-S439 PolarHBondContact O-N 3.33Å; A288-S439 VanDerWaalsContact O-N 3.08Å; A288-V444 HydrophobicContact CB-CB 3.87Å; A288-V444 HydrophobicContact CB-CG1 3.78Å; A288-V444 HydrophobicContact CB-CG2 3.99Å
289	A	98.9	Very high	98.8	Very high	8 Å²	8	28.3 Å²	28.3	7%	0.066	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	160.5	168.4	0	0	0	0	0	110.9	E277 L280 A281 I437 A438	E277-A289 WeakPolarHBondContact O-CB 3.49Å; L280-A289 HydrophobicContact CB-CB 3.72Å; A281-A289 HydrophobicContact CB-CB 4.4Å; A289-I437 CarbonylContact C-O 3.56Å; A289-I437 WeakPolarHBondContact CA-O 3.31Å; A289-I437 VanDerWaalsContact CB-O 3.27Å; A289-I437 WeakPolarHBondContact CB-O 3.31Å; A289-A438 HydrophobicContact CB-CB 4.01Å
290	L	98.9	Very high	98.8	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	125.5	-175.7	-168	67.4	0	0	0	111.6	F292 Y436 I437 V444 V447 R448 F454	L290-F292 HydrophobicContact CB-CE2 4.27Å; L290-F292 HydrophobicContact CD2-CE2 3.94Å; L290-F292 HydrophobicContact CD2-CZ 3.9Å; L290-F292 HydrophobicContact CG-CE2 4.14Å; L290-F292 WeakPolarHBondContact O-CD2 3.12Å; L290-Y436 WeakPolarHBondContact O-CA 3.43Å; L290-Y436 VanDerWaalsContact O-CB 3.3Å; L290-Y436 WeakPolarHBondContact O-CB 3.39Å; L290-I437 HydrophobicContact CB-CG1 4.05Å; L290-I437 PolarHBondContact N-O 2.57Å; L290-I437 PolarHBondContact O-N 2.82Å; L290-I437 VanDerWaalsContact O-N 3.16Å; L290-V444 HydrophobicContact CB-CG1 4.03Å; L290-V447 HydrophobicContact CD2-CB 4.23Å; L290-V447 HydrophobicContact CD2-CG1 3.91Å; L290-R448 HydrophobicContact CD1-CB 3.86Å; L290-R448 HydrophobicContact CD1-CG 3.86Å; L290-R448 HydrophobicContact CD2-CB 3.95Å; L290-F454 HydrophobicContact CD1-CD2 4.21Å; L290-F454 HydrophobicContact CD1-CE1 4.4Å; L290-F454 HydrophobicContact CD1-CE2 3.46Å; L290-F454 VanDerWaalsContact CD1-CE2 3.46Å; L290-F454 HydrophobicContact CD1-CZ 3.58Å; L290-F454 HydrophobicContact CD2-CD2 4.05Å; L290-F454 HydrophobicContact CD2-CE2 4.14Å; L290-F454 HydrophobicContact CD2-CG 4.4Å; L290-F454 HydrophobicContact CG-CD2 3.99Å; L290-F454 HydrophobicContact CG-CE2 3.69Å; L290-F454 HydrophobicContact CG-CZ 4.27Å
291	L	98.9	Very high	98.8	Very high	9 Å²	9	29 Å²	29	5%	0.047	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	137.4	-179.4	-72.4	165.7	0	0	0	113.6	H273 L276 E277 L280 L426 F454 L465	H273-L291 HydrophobicContact CB-CD1 4.39Å; L276-L291 HydrophobicContact CB-CD1 4.23Å; L276-L291 HydrophobicContact CD2-CD1 3.91Å; L276-L291 HydrophobicContact CD2-CD2 3.81Å; L276-L291 HydrophobicContact CD2-CG 4.5Å; L276-L291 HydrophobicContact CG-CD1 4.16Å; L276-L291 HydrophobicContact CG-CD2 4.18Å; E277-L291 HydrophobicContact CG-CB 4.38Å; E277-L291 HydrophobicContact CG-CD1 3.77Å; E277-L291 HydrophobicContact CG-CG 3.7Å; E277-L291 PolarHBondContact OE1-N 3.47Å; L280-L291 HydrophobicContact CD1-CD2 3.87Å; L291-L426 HydrophobicContact CD2-CD1 3.91Å; L291-F454 WeakPolarHBondContact O-CD2 3.35Å; L291-F454 VanDerWaalsContact O-CE2 3.31Å; L291-F454 WeakPolarHBondContact O-CE2 3.48Å; L291-L465 HydrophobicContact CD1-CD1 4.24Å; L291-L465 HydrophobicContact CD1-CD2 4.32Å
292	F	98.9	Very high	98.8	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.026	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.2	172.9	-65	-99	0	0	0	111	L290 S294 V297 A298 G435 I437 V447 F454 L460	L290-F292 HydrophobicContact CB-CE2 4.27Å; L290-F292 HydrophobicContact CD2-CE2 3.94Å; L290-F292 HydrophobicContact CD2-CZ 3.9Å; L290-F292 HydrophobicContact CG-CE2 4.14Å; L290-F292 WeakPolarHBondContact O-CD2 3.12Å; F292-S294 PolarHBondContact O-N 3.5Å; F292-V297 HydrophobicContact CD1-CG1 4.04Å; F292-A298 HydrophobicContact CB-CB 4.01Å; F292-A298 HydrophobicContact CD2-CB 3.55Å; F292-A298 HydrophobicContact CE2-CB 4.07Å; F292-A298 HydrophobicContact CG-CB 3.81Å; F292-G435 PolarHBondContact N-O 2.94Å; F292-G435 PolarHBondContact O-N 2.95Å; F292-I437 HydrophobicContact CE2-CG1 4.27Å; F292-I437 HydrophobicContact CE2-CG2 4.38Å; F292-V447 HydrophobicContact CZ-CG1 3.78Å; F292-F454 HydrophobicContact CD1-CB 4.14Å; F292-F454 HydrophobicContact CD1-CD2 4.42Å; F292-F454 HydrophobicContact CE1-CB 3.72Å; F292-F454 HydrophobicContact CE1-CD2 4.37Å; F292-F454 HydrophobicContact CE1-CG 4.49Å; F292-F454 HydrophobicContact CZ-CB 4.44Å; F292-L460 WeakPolarHBondContact O-CD1 3.31Å
293	T	98.5	Very high	98.8	Very high	44 Å²	44	24.6 Å²	24.6	27%	0.27	14%	0.144	S	C	.	.	S	Bend	trans	-60.5	-26.7	-180	56.1	0	0	0	0	114	G434 T457	T293-G434 WeakPolarHBondContact O-CA 3.48Å; T293-T457 HydrophobicContact CG2-CG2 3.98Å
294	S	98.7	Very high	98.8	Very high	37 Å²	37	28.1 Å²	28.1	26%	0.259	16%	0.16	S	C	.	.			trans	-159.5	164.7	171.1	65	0	0	0	0	110.1	F292 F296 V297 A298	F292-S294 PolarHBondContact O-N 3.5Å; S294-F296 PolarHBondContact O-N 2.85Å; S294-F296 PolarHBondContact OG-N 3.32Å; S294-V297 PolarHBondContact O-N 2.73Å; S294-V297 VanDerWaalsContact O-N 3.16Å; S294-V297 PolarHBondContact OG-N 2.96Å; S294-A298 PolarHBondContact O-N 2.72Å
295	C	98.7	Very high	98.8	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.061	16%	0.162	C	C	.	.	H	α-helix	trans	-71.1	-19.1	173.6	-152	0	0	0	0	112.5	V297 A298 N299 V396 G424	C295-V297 VanDerWaalsContact C-N 3.32Å; C295-V297 PolarHBondContact O-N 2.94Å; C295-A298 PolarHBondContact O-N 3.18Å; C295-N299 WeakPolarHBondContact O-CB 3.45Å; C295-N299 PolarHBondContact O-N 3.39Å; C295-N299 PolarHBondContact O-OD1 3.28Å; C295-N299 PolarHBondContact SG-OD1 3.05Å; C295-V396 HydrophobicContact CB-CG2 3.64Å; C295-V396 WeakPolarHBondContact SG-CG2 3.46Å; C295-G424 VanDerWaalsContact SG-C 3.52Å; C295-G424 PolarHBondContact SG-O 2.95Å
296	F	98.6	Very high	98.8	Very high	77 Å²	77	24.9 Å²	24.9	34%	0.338	14%	0.136	S	C	.	.	H	α-helix	trans	-58	-49.8	167.6	-172.8	-71.5	0	0	0	110.1	S294 D300 S324	S294-F296 PolarHBondContact O-N 2.85Å; S294-F296 PolarHBondContact OG-N 3.32Å; F296-D300 HydrophobicContact CE1-CB 4.42Å; F296-D300 VanDerWaalsContact O-CB 3.27Å; F296-D300 WeakPolarHBondContact O-CB 3.36Å; F296-D300 PolarHBondContact O-N 2.91Å; F296-S324 WeakPolarHBondContact O-CB 3.34Å
297	V	98.8	Very high	98.8	Very high	34 Å²	34	23.7 Å²	23.7	21%	0.206	13%	0.132	C	C	.	.	H	α-helix	trans	-70.8	-35	179.4	-180	0	0	0	0	111.5	F292 S294 C295 S301	F292-V297 HydrophobicContact CD1-CG1 4.04Å; S294-V297 PolarHBondContact O-N 2.73Å; S294-V297 VanDerWaalsContact O-N 3.16Å; S294-V297 PolarHBondContact OG-N 2.96Å; C295-V297 VanDerWaalsContact C-N 3.32Å; C295-V297 PolarHBondContact O-N 2.94Å; V297-S301 WeakPolarHBondContact O-CB 3.31Å; V297-S301 PolarHBondContact O-N 3.5Å; V297-S301 PolarHBondContact O-OG 3.02Å
298	A	98.8	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.4	-51.1	174.7	0	0	0	0	0	111.7	F292 S294 C295 T302 I437	F292-A298 HydrophobicContact CB-CB 4.01Å; F292-A298 HydrophobicContact CD2-CB 3.55Å; F292-A298 HydrophobicContact CE2-CB 4.07Å; F292-A298 HydrophobicContact CG-CB 3.81Å; S294-A298 PolarHBondContact O-N 2.72Å; C295-A298 PolarHBondContact O-N 3.18Å; A298-T302 WeakPolarHBondContact O-CB 3.29Å; A298-T302 PolarHBondContact O-N 2.93Å; A298-T302 PolarHBondContact O-OG1 3.44Å; A298-I437 HydrophobicContact CB-CG2 4.37Å
299	N	98.9	Very high	98.7	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-51.2	-179.3	-61	14.3	0	0	0	111.3	C295 S301 T302 L303 S324 M325 F392 D394 S423	C295-N299 WeakPolarHBondContact O-CB 3.45Å; C295-N299 PolarHBondContact O-N 3.39Å; C295-N299 PolarHBondContact O-OD1 3.28Å; C295-N299 PolarHBondContact SG-OD1 3.05Å; N299-S301 PolarHBondContact O-N 3.24Å; N299-T302 PolarHBondContact O-N 3.42Å; N299-L303 VanDerWaalsContact O-CB 3.32Å; N299-L303 WeakPolarHBondContact O-CB 3.32Å; N299-L303 PolarHBondContact O-N 3.29Å; N299-S324 PolarHBondContact ND2-OG 2.8Å; N299-S324 VanDerWaalsContact ND2-OG 3.13Å; N299-M325 HydrophobicContact CB-CG 3.89Å; N299-M325 WeakPolarHBondContact ND2-CG 3.44Å; N299-F392 HydrophobicContact CB-CE1 4.47Å; N299-F392 HydrophobicContact CB-CZ 4.23Å; N299-D394 PolarHBondContact ND2-OD2 3.4Å; N299-S423 VanDerWaalsContact OD1-CB 3.29Å; N299-S423 WeakPolarHBondContact OD1-CB 3.38Å; N299-S423 PolarHBondContact OD1-OG 2.79Å
300	D	98.8	Very high	98.6	Very high	28 Å²	28	29.9 Å²	29.9	15%	0.15	15%	0.153	C	C	.	.	H	α-helix	trans	-56.3	-53.3	-180	-175.2	16.7	0	0	0	110.3	F296 T302 F304 Q327 G328	F296-D300 HydrophobicContact CE1-CB 4.42Å; F296-D300 VanDerWaalsContact O-CB 3.27Å; F296-D300 WeakPolarHBondContact O-CB 3.36Å; F296-D300 PolarHBondContact O-N 2.91Å; D300-T302 PolarHBondContact O-N 2.74Å; D300-F304 WeakPolarHBondContact O-CB 3.45Å; D300-F304 PolarHBondContact O-N 3.07Å; D300-Q327 PolarHBondContact OD2-NE2 2.81Å; D300-G328 WeakPolarHBondContact O-CA 3.44Å; D300-G328 WeakPolarHBondContact OD1-CA 3.14Å; D300-G328 PolarHBondContact OD1-N 3.4Å; D300-G328 VanDerWaalsContact OD1-N 3.12Å
301	S	98.8	Very high	98.6	Very high	10 Å²	10	34.8 Å²	34.8	7%	0.07	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-40.8	-177.4	-52.7	0	0	0	0	112.9	V297 N299 T305	V297-S301 WeakPolarHBondContact O-CB 3.31Å; V297-S301 PolarHBondContact O-N 3.5Å; V297-S301 PolarHBondContact O-OG 3.02Å; N299-S301 PolarHBondContact O-N 3.24Å; S301-T305 WeakPolarHBondContact O-CB 3.46Å; S301-T305 PolarHBondContact O-N 2.86Å; S301-T305 PolarHBondContact O-OG1 3.07Å
302	T	98.9	Very high	98.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-72.2	-51	-176.4	-56.7	0	0	0	0	111	A298 N299 D300 F304 T305 L306 F392 I421 I437 V447	A298-T302 WeakPolarHBondContact O-CB 3.29Å; A298-T302 PolarHBondContact O-N 2.93Å; A298-T302 PolarHBondContact O-OG1 3.44Å; N299-T302 PolarHBondContact O-N 3.42Å; D300-T302 PolarHBondContact O-N 2.74Å; T302-F304 VanDerWaalsContact C-N 3.35Å; T302-F304 PolarHBondContact O-N 2.68Å; T302-T305 PolarHBondContact O-N 2.8Å; T302-L306 HydrophobicContact CG2-CD1 3.75Å; T302-L306 HydrophobicContact CG2-CG 4.32Å; T302-L306 WeakPolarHBondContact O-CB 3.48Å; T302-L306 WeakPolarHBondContact O-CG 3.46Å; T302-L306 PolarHBondContact O-N 3.39Å; T302-F392 HydrophobicContact CG2-CD2 4.36Å; T302-F392 HydrophobicContact CG2-CE2 3.81Å; T302-I421 HydrophobicContact CG2-CG2 4.46Å; T302-I437 HydrophobicContact CG2-CD1 3.9Å; T302-I437 HydrophobicContact CG2-CG2 4.27Å; T302-I437 WeakPolarHBondContact OG1-CG2 3.29Å; T302-V447 HydrophobicContact CG2-CG2 4.01Å
303	L	98.9	Very high	98.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-42.1	177.9	-74.4	161.3	0	0	0	111.1	N299 A307 M325 I329 I361 A363 F392	N299-L303 VanDerWaalsContact O-CB 3.32Å; N299-L303 WeakPolarHBondContact O-CB 3.32Å; N299-L303 PolarHBondContact O-N 3.29Å; L303-A307 WeakPolarHBondContact O-CB 3.43Å; L303-A307 PolarHBondContact O-N 3.44Å; L303-M325 HydrophobicContact CD1-CB 3.63Å; L303-M325 HydrophobicContact CD1-CG 3.63Å; L303-M325 HydrophobicContact CD1-SD 4.38Å; L303-I329 HydrophobicContact CB-CG1 4.24Å; L303-I329 HydrophobicContact CD1-CD1 4.27Å; L303-I329 HydrophobicContact CD1-CG1 4.17Å; L303-I329 HydrophobicContact CD2-CG1 4.33Å; L303-I329 HydrophobicContact CG-CG1 4.49Å; L303-I361 HydrophobicContact CD2-CG2 4.33Å; L303-A363 HydrophobicContact CD2-CB 4.32Å; L303-F392 HydrophobicContact CD1-CD1 3.96Å; L303-F392 HydrophobicContact CD1-CE1 3.84Å; L303-F392 HydrophobicContact CD1-CE2 4.49Å; L303-F392 HydrophobicContact CD1-CG 4.38Å; L303-F392 HydrophobicContact CD1-CZ 4.12Å; L303-F392 HydrophobicContact CD2-CB 4.06Å; L303-F392 HydrophobicContact CD2-CD1 4.1Å; L303-F392 HydrophobicContact CD2-CD2 3.89Å; L303-F392 HydrophobicContact CD2-CE2 4.43Å; L303-F392 HydrophobicContact CD2-CG 3.72Å; L303-F392 HydrophobicContact CG-CD1 4.18Å; L303-F392 HydrophobicContact CG-CD2 3.99Å; L303-F392 HydrophobicContact CG-CE1 4.22Å; L303-F392 HydrophobicContact CG-CE2 4.01Å; L303-F392 HydrophobicContact CG-CG 4.09Å; L303-F392 HydrophobicContact CG-CZ 4.15Å
304	F	98.8	Very high	98.4	Very high	74 Å²	74	34.9 Å²	34.9	33%	0.325	20%	0.196	S	C	.	.	H	α-helix	trans	-57.5	-52.2	173.6	175.6	-92.3	0	0	0	111.8	D300 T302 K308 N331	D300-F304 WeakPolarHBondContact O-CB 3.45Å; D300-F304 PolarHBondContact O-N 3.07Å; T302-F304 VanDerWaalsContact C-N 3.35Å; T302-F304 PolarHBondContact O-N 2.68Å; F304-K308 WeakPolarHBondContact O-CB 3.49Å; F304-K308 PolarHBondContact O-N 2.84Å; F304-N331 HydrophobicContact CD2-CB 3.74Å; F304-N331 HydrophobicContact CE2-CB 4.1Å; F304-N331 WeakPolarHBondContact CE2-O 3.45Å
305	T	98.8	Very high	98.4	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.043	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-49.9	-173.8	-57.7	0	0	0	0	111	S301 T302 K308 M309 A451	S301-T305 WeakPolarHBondContact O-CB 3.46Å; S301-T305 PolarHBondContact O-N 2.86Å; S301-T305 PolarHBondContact O-OG1 3.07Å; T302-T305 PolarHBondContact O-N 2.8Å; T305-K308 PolarHBondContact O-N 3.18Å; T305-M309 HydrophobicContact CG2-CG 4.43Å; T305-M309 HydrophobicContact CG2-SD 3.6Å; T305-M309 WeakPolarHBondContact O-CB 3.45Å; T305-M309 VanDerWaalsContact O-CG 3.27Å; T305-M309 WeakPolarHBondContact O-CG 3.48Å; T305-M309 PolarHBondContact O-N 2.8Å; T305-A451 WeakPolarHBondContact OG1-CA 3.46Å
306	L	98.8	Very high	98.4	Very high	12 Å²	12	32.7 Å²	32.7	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-48.3	179.9	-64.1	175.6	0	0	0	111.7	T302 K308 M309 L310 I361 I421 L443 V447	T302-L306 HydrophobicContact CG2-CD1 3.75Å; T302-L306 HydrophobicContact CG2-CG 4.32Å; T302-L306 WeakPolarHBondContact O-CB 3.48Å; T302-L306 WeakPolarHBondContact O-CG 3.46Å; T302-L306 PolarHBondContact O-N 3.39Å; L306-K308 PolarHBondContact O-N 2.9Å; L306-M309 PolarHBondContact O-N 3.31Å; L306-L310 HydrophobicContact CB-CD1 4.35Å; L306-L310 VanDerWaalsContact O-CB 3.3Å; L306-L310 WeakPolarHBondContact O-CB 3.18Å; L306-L310 VanDerWaalsContact O-CG 3.31Å; L306-L310 WeakPolarHBondContact O-CG 3.38Å; L306-L310 PolarHBondContact O-N 3.29Å; L306-I361 HydrophobicContact CB-CD1 3.88Å; L306-I361 HydrophobicContact CD1-CD1 4.49Å; L306-I421 HydrophobicContact CD1-CD1 3.45Å; L306-I421 VanDerWaalsContact CD1-CD1 3.45Å; L306-L443 HydrophobicContact CD1-CD1 4.38Å; L306-L443 HydrophobicContact CD1-CD2 4.26Å; L306-L443 HydrophobicContact CD2-CD2 4.49Å; L306-L443 HydrophobicContact CD2-CG 4.21Å; L306-V447 HydrophobicContact CD2-CG2 4.25Å; L306-V447 HydrophobicContact CG-CG2 4.41Å
307	A	98.2	Very high	98.4	Very high	7 Å²	7	29.4 Å²	29.4	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-27	179.5	0	0	0	0	0	113.1	L303 I315 A334	L303-A307 WeakPolarHBondContact O-CB 3.43Å; L303-A307 PolarHBondContact O-N 3.44Å; A307-I315 HydrophobicContact CB-CD1 3.77Å; A307-I315 HydrophobicContact CB-CG1 4.2Å; A307-A334 HydrophobicContact CB-CB 3.96Å
308	K	97.8	Very high	98.3	Very high	133 Å²	133	28 Å²	28	58%	0.578	16%	0.158	S	C	*	.	H	α-helix	trans	-82.5	-34.4	176.6	-161.9	72.3	-174.2	175	0	113.6	F304 T305 L306 S332	F304-K308 WeakPolarHBondContact O-CB 3.49Å; F304-K308 PolarHBondContact O-N 2.84Å; T305-K308 PolarHBondContact O-N 3.18Å; L306-K308 PolarHBondContact O-N 2.9Å; K308-S332 WeakPolarHBondContact CD-O 3.42Å; K308-S332 PolarHBondContact NZ-O 3.28Å
309	M	97.6	Very high	98	Very high	82 Å²	82	30.8 Å²	30.8	40%	0.404	18%	0.182	S	C	.	.	H	α-helix	trans	-85.1	-33	-177.5	-70	-180	71.4	0	0	113.2	T305 L306 T446 Y450	T305-M309 HydrophobicContact CG2-CG 4.43Å; T305-M309 HydrophobicContact CG2-SD 3.6Å; T305-M309 WeakPolarHBondContact O-CB 3.45Å; T305-M309 VanDerWaalsContact O-CG 3.27Å; T305-M309 WeakPolarHBondContact O-CG 3.48Å; T305-M309 PolarHBondContact O-N 2.8Å; L306-M309 PolarHBondContact O-N 3.31Å; M309-T446 HydrophobicContact CE-CG2 3.8Å; M309-T446 HydrophobicContact SD-CG2 3.98Å; M309-Y450 HydrophobicContact CE-CD1 3.93Å; M309-Y450 HydrophobicContact CE-CD2 3.63Å; M309-Y450 HydrophobicContact CE-CE1 4.08Å; M309-Y450 HydrophobicContact CE-CE2 3.8Å; M309-Y450 HydrophobicContact CE-CG 3.7Å; M309-Y450 HydrophobicContact SD-CD1 4.15Å; M309-Y450 HydrophobicContact SD-CD2 4.04Å; M309-Y450 HydrophobicContact SD-CG 3.7Å
310	L	98.3	Very high	97.5	Very high	55 Å²	55	31.8 Å²	31.8	29%	0.288	19%	0.192	S	C	.	.	S	Bend	trans	-72.9	123.6	-179.8	-72.4	168.7	0	0	0	110.7	L306 G312 C313 P359 I361	L306-L310 HydrophobicContact CB-CD1 4.35Å; L306-L310 VanDerWaalsContact O-CB 3.3Å; L306-L310 WeakPolarHBondContact O-CB 3.18Å; L306-L310 VanDerWaalsContact O-CG 3.31Å; L306-L310 WeakPolarHBondContact O-CG 3.38Å; L306-L310 PolarHBondContact O-N 3.29Å; L310-G312 PolarHBondContact O-N 3.06Å; L310-C313 HydrophobicContact CB-CB 3.79Å; L310-C313 WeakPolarHBondContact O-CB 3.34Å; L310-C313 PolarHBondContact O-N 3.47Å; L310-P359 HydrophobicContact CB-CB 4.12Å; L310-P359 HydrophobicContact CB-CG 3.81Å; L310-P359 HydrophobicContact CD1-CB 4.36Å; L310-P359 HydrophobicContact CD2-CB 4.17Å; L310-P359 HydrophobicContact CD2-CG 4.5Å; L310-P359 HydrophobicContact CG-CB 4.45Å; L310-I361 HydrophobicContact CD1-CD1 4.26Å
311	P	97.5	Very high	97.2	Very high	105 Å²	105	30.7 Å²	30.7	68%	0.682	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	108.7	-168	26.4	-34.9	0	0	0	112.2	P359	P311-P359 WeakPolarHBondContact O-CD 3.45Å
312	G	96.4	Very high	97	Very high	51 Å²	51	33.6 Å²	33.6	53%	0.526	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	32.6	-177.7	0	0	0	0	0	113.5	L310	L310-G312 PolarHBondContact O-N 3.06Å
313	C	98.4	Very high	96.4	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.027	22%	0.222	C	C	.	.			trans	-52.8	136.2	-179	-162	0	0	0	0	113.4	L310 P359	L310-C313 HydrophobicContact CB-CB 3.79Å; L310-C313 WeakPolarHBondContact O-CB 3.34Å; L310-C313 PolarHBondContact O-N 3.47Å; C313-P359 WeakPolarHBondContact CA-O 3.42Å
314	E	98.4	Very high	96.2	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.9	170.9	-61.5	-167.3	137.3	0	0	110.6	Y316 K335 F337 K358 P359 K360 I361	E314-Y316 HydrophobicContact CB-CE2 3.68Å; E314-Y316 PolarHBondContact OE2-OH 2.94Å; E314-K335 CarbonylContact C-O 3.55Å; E314-K335 WeakPolarHBondContact CA-O 3.27Å; E314-K335 HydrophobicContact CG-CD 4.3Å; E314-K335 WeakPolarHBondContact OE1-CD 3.1Å; E314-K335 WeakPolarHBondContact OE1-CE 3.36Å; E314-K335 IonicContact OE1-NZ 2.77Å; E314-K335 PolarHBondContact OE1-NZ 3.24Å; E314-F337 HydrophobicContact CB-CE2 4.07Å; E314-F337 HydrophobicContact CG-CE2 4.21Å; E314-K358 HydrophobicContact CG-CB 4.43Å; E314-P359 PolarHBondContact N-O 3.14Å; E314-K360 HydrophobicContact CB-CG 4.32Å; E314-K360 CarbonylContact O-C 3.49Å; E314-K360 VanDerWaalsContact O-CA 3.23Å; E314-K360 WeakPolarHBondContact O-CA 3.4Å; E314-I361 PolarHBondContact O-N 3.43Å
315	I	98.6	Very high	96.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.4	-179.7	-49	-61.4	0	0	0	110.3	A307 I329 A334 K335 K336 F337 I361	A307-I315 HydrophobicContact CB-CD1 3.77Å; A307-I315 HydrophobicContact CB-CG1 4.2Å; I315-I329 HydrophobicContact CB-CG2 4.11Å; I315-I329 HydrophobicContact CG1-CG2 4.3Å; I315-I329 HydrophobicContact CG2-CD1 3.75Å; I315-I329 HydrophobicContact CG2-CG1 3.9Å; I315-I329 HydrophobicContact CG2-CG2 3.92Å; I315-A334 HydrophobicContact CG1-CB 4.03Å; I315-K335 PolarHBondContact N-O 2.99Å; I315-K336 HydrophobicContact CB-CB 4.47Å; I315-K336 CarbonylContact O-C 3.25Å; I315-K336 VanDerWaalsContact O-CA 3.24Å; I315-K336 WeakPolarHBondContact O-CA 3.47Å; I315-F337 PolarHBondContact O-N 3.22Å; I315-I361 WeakPolarHBondContact CA-O 3.38Å; I315-I361 HydrophobicContact CD1-CB 3.75Å; I315-I361 HydrophobicContact CD1-CD1 3.85Å; I315-I361 HydrophobicContact CD1-CG1 3.88Å
316	Y	98.7	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	108	175.7	-62	-99.7	0	0	0	106.7	E314 F337 L347 L350 L351 G354 K360 I361 V362 A363	E314-Y316 HydrophobicContact CB-CE2 3.68Å; E314-Y316 PolarHBondContact OE2-OH 2.94Å; Y316-F337 HydrophobicContact CD1-CB 3.94Å; Y316-F337 AromaticContact CD1-CD2 3.93Å; Y316-F337 HydrophobicContact CD1-CD2 3.93Å; Y316-F337 HydrophobicContact CD1-CG 4.23Å; Y316-F337 HydrophobicContact CD2-CD2 4.46Å; Y316-F337 HydrophobicContact CE1-CB 4.16Å; Y316-F337 AromaticContact CE1-CD2 3.47Å; Y316-F337 HydrophobicContact CE1-CD2 3.47Å; Y316-F337 VanDerWaalsContact CE1-CD2 3.47Å; Y316-F337 AromaticContact CE1-CE2 3.9Å; Y316-F337 HydrophobicContact CE1-CE2 3.9Å; Y316-F337 AromaticContact CE1-CG 3.94Å; Y316-F337 HydrophobicContact CE1-CG 3.94Å; Y316-F337 HydrophobicContact CE2-CD2 4.04Å; Y316-F337 HydrophobicContact CE2-CE2 4.22Å; Y316-F337 HydrophobicContact CG-CD2 4.39Å; Y316-F337 AromaticContact CZ-CD2 3.52Å; Y316-F337 AromaticContact CZ-CE2 3.58Å; Y316-F337 WeakPolarHBondContact OH-CE2 3.42Å; Y316-L347 HydrophobicContact CD1-CD1 4.28Å; Y316-L347 HydrophobicContact CG-CD1 4.41Å; Y316-L350 HydrophobicContact CD1-CB 4.04Å; Y316-L350 HydrophobicContact CE1-CB 4.02Å; Y316-L351 HydrophobicContact CD1-CD2 3.84Å; Y316-L351 HydrophobicContact CD1-CG 4.14Å; Y316-L351 HydrophobicContact CD2-CD2 3.92Å; Y316-L351 HydrophobicContact CE1-CD2 3.8Å; Y316-L351 HydrophobicContact CE1-CG 4.19Å; Y316-L351 HydrophobicContact CE2-CD2 3.91Å; Y316-L351 HydrophobicContact CG-CD2 3.92Å; Y316-G354 WeakPolarHBondContact OH-CA 3.16Å; Y316-K360 HydrophobicContact CD2-CB 4.26Å; Y316-K360 HydrophobicContact CE2-CB 3.96Å; Y316-K360 HydrophobicContact CE2-CD 3.83Å; Y316-K360 HydrophobicContact CE2-CG 3.91Å; Y316-I361 PolarHBondContact N-O 3.12Å; Y316-V362 CarbonylContact O-C 3.43Å; Y316-V362 WeakPolarHBondContact O-CA 3.48Å; Y316-A363 PolarHBondContact O-N 2.93Å
317	S	98.3	Very high	95.4	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.063	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	128	-169.7	175.2	0	0	0	0	110.4	N321 F337 I338 F339	S317-N321 PolarHBondContact OG-ND2 3.41Å; S317-F337 PolarHBondContact N-O 3.39Å; S317-I338 VanDerWaalsContact O-CA 3.28Å; S317-I338 WeakPolarHBondContact O-CA 3.13Å; S317-F339 VanDerWaalsContact C-CD1 3.45Å; S317-F339 WeakPolarHBondContact O-CD1 3.43Å; S317-F339 PolarHBondContact O-N 3.19Å; S317-F339 VanDerWaalsContact O-N 3.1Å
318	D	97.9	Very high	95.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140.7	168	-172.7	-74.2	0	0	0	110.4	G320 N321 F339 H341 N342 A363 F364	D318-G320 VanDerWaalsContact C-N 3.28Å; D318-G320 PolarHBondContact O-N 2.94Å; D318-G320 WeakPolarHBondContact OD1-CA 3.25Å; D318-G320 PolarHBondContact OD1-N 3.26Å; D318-N321 PolarHBondContact N-ND2 2.6Å; D318-N321 VanDerWaalsContact N-ND2 3.18Å; D318-N321 WeakPolarHBondContact O-CB 3.31Å; D318-N321 PolarHBondContact O-N 3.12Å; D318-N321 PolarHBondContact O-ND2 3.25Å; D318-F339 HydrophobicContact CB-CD2 4.44Å; D318-F339 HydrophobicContact CB-CE1 4.18Å; D318-F339 HydrophobicContact CB-CE2 3.7Å; D318-F339 HydrophobicContact CB-CZ 3.56Å; D318-F339 WeakPolarHBondContact OD2-CE2 3.11Å; D318-H341 IonicContact OD1-CE1 3.01Å; D318-H341 IonicContact OD1-CG 2.68Å; D318-H341 IonicContact OD1-ND1 3.31Å; D318-H341 PolarHBondContact OD1-ND1 2.96Å; D318-H341 WeakPolarHBondContact OD2-CA 3.45Å; D318-H341 IonicContact OD2-ND1 2.9Å; D318-H341 PolarHBondContact OD2-ND1 3.35Å; D318-N342 PolarHBondContact OD2-N 2.76Å; D318-A363 PolarHBondContact N-O 2.94Å; D318-F364 HydrophobicContact CB-CB 3.97Å
319	A	90.4	Very high	95.2	Very high	60 Å²	60	31.3 Å²	31.3	50%	0.496	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.7	-179.4	0	0	0	0	0	114.5	I338 F339	A319-I338 HydrophobicContact CB-CG2 3.82Å; A319-F339 VanDerWaalsContact CB-O 3.27Å; A319-F339 WeakPolarHBondContact CB-O 3.42Å; A319-F339 PolarHBondContact N-O 3.44Å; A319-F339 VanDerWaalsContact N-O 3.1Å
320	G	88.6	Confident	94.9	Very high	21 Å²	21	34.7 Å²	34.7	22%	0.216	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.5	177	0	0	0	0	0	114.5	D318 H322 H368	D318-G320 VanDerWaalsContact C-N 3.28Å; D318-G320 PolarHBondContact O-N 2.94Å; D318-G320 WeakPolarHBondContact OD1-CA 3.25Å; D318-G320 PolarHBondContact OD1-N 3.26Å; G320-H322 PolarHBondContact O-N 3.44Å; G320-H368 PolarHBondContact O-NE2 3.14Å
321	N	92.6	Very high	94.6	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.027	22%	0.218	C	C	.	.			trans	-51	132	-173.5	-90.1	-27.1	0	0	0	114.6	S317 D318 M325 I326 A363 F364	S317-N321 PolarHBondContact OG-ND2 3.41Å; D318-N321 PolarHBondContact N-ND2 2.6Å; D318-N321 VanDerWaalsContact N-ND2 3.18Å; D318-N321 WeakPolarHBondContact O-CB 3.31Å; D318-N321 PolarHBondContact O-N 3.12Å; D318-N321 PolarHBondContact O-ND2 3.25Å; N321-M325 HydrophobicContact CB-CB 4.44Å; N321-M325 HydrophobicContact CB-CE 4.04Å; N321-M325 WeakPolarHBondContact OD1-CE 3.49Å; N321-I326 HydrophobicContact CB-CG1 4.31Å; N321-I326 WeakPolarHBondContact O-CD1 3.37Å; N321-A363 PolarHBondContact ND2-O 2.94Å; N321-F364 VanDerWaalsContact OD1-CA 3.27Å; N321-F364 WeakPolarHBondContact OD1-CA 3.26Å
322	H	94.4	Very high	94.5	Very high	71 Å²	71	31.5 Å²	31.5	33%	0.329	19%	0.187	S	C	.	.			trans	-51.9	146.8	175.6	-173.4	-105.6	0	0	0	113.5	G320 S324 M325 I326 E365	G320-H322 PolarHBondContact O-N 3.44Å; H322-S324 PolarHBondContact ND1-N 3.25Å; H322-S324 PolarHBondContact ND1-OG 2.8Å; H322-S324 PolarHBondContact O-N 2.98Å; H322-M325 HydrophobicContact CB-CE 4.26Å; H322-M325 PolarHBondContact O-N 2.78Å; H322-I326 PolarHBondContact O-N 3.23Å; H322-E365 WeakPolarHBondContact CA-OE1 3.19Å; H322-E365 WeakPolarHBondContact CB-OE1 3.32Å; H322-E365 PolarHBondContact N-OE1 3.25Å
323	A	86.7	Confident	94.4	Very high	59 Å²	59	32.1 Å²	32.1	49%	0.488	19%	0.193	S	C	.	.	H	α-helix	trans	-53.4	-28.2	-175.5	0	0	0	0	0	114.8	Q327	A323-Q327 VanDerWaalsContact O-CB 3.3Å; A323-Q327 WeakPolarHBondContact O-CB 3.09Å; A323-Q327 PolarHBondContact O-N 3.45Å
324	S	95.3	Very high	94.2	Very high	1 Å²	1	33 Å²	33	1%	0.007	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-40.9	175.5	54.7	0	0	0	0	113.2	F296 N299 H322 Q327 G328	F296-S324 WeakPolarHBondContact O-CB 3.34Å; N299-S324 PolarHBondContact ND2-OG 2.8Å; N299-S324 VanDerWaalsContact ND2-OG 3.13Å; H322-S324 PolarHBondContact ND1-N 3.25Å; H322-S324 PolarHBondContact ND1-OG 2.8Å; H322-S324 PolarHBondContact O-N 2.98Å; S324-Q327 PolarHBondContact O-N 2.91Å; S324-G328 PolarHBondContact O-N 2.89Å
325	M	98.2	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-48	175.6	-65.8	-169.3	-87.1	0	0	110.3	N299 L303 N321 H322 Q327 G328 I329 E365 F392 D394	N299-M325 HydrophobicContact CB-CG 3.89Å; N299-M325 WeakPolarHBondContact ND2-CG 3.44Å; L303-M325 HydrophobicContact CD1-CB 3.63Å; L303-M325 HydrophobicContact CD1-CG 3.63Å; L303-M325 HydrophobicContact CD1-SD 4.38Å; N321-M325 HydrophobicContact CB-CB 4.44Å; N321-M325 HydrophobicContact CB-CE 4.04Å; N321-M325 WeakPolarHBondContact OD1-CE 3.49Å; H322-M325 HydrophobicContact CB-CE 4.26Å; H322-M325 PolarHBondContact O-N 2.78Å; M325-Q327 PolarHBondContact O-N 2.78Å; M325-G328 PolarHBondContact O-N 3.2Å; M325-I329 HydrophobicContact CB-CD1 4.46Å; M325-I329 WeakPolarHBondContact O-CB 3.33Å; M325-I329 WeakPolarHBondContact O-CD1 3.28Å; M325-I329 WeakPolarHBondContact O-CG1 3.11Å; M325-I329 PolarHBondContact O-N 3.29Å; M325-E365 HydrophobicContact CE-CG 3.49Å; M325-E365 VanDerWaalsContact CE-CG 3.49Å; M325-F392 HydrophobicContact CG-CE1 4.14Å; M325-F392 HydrophobicContact SD-CD1 3.93Å; M325-F392 HydrophobicContact SD-CE1 3.77Å; M325-D394 HydrophobicContact CE-CB 3.84Å; M325-D394 HydrophobicContact SD-CB 4.05Å
326	I	90.5	Very high	94	Very high	52 Å²	52	43 Å²	43	27%	0.267	24%	0.243	S	C	.	.	H	α-helix	trans	-55.3	-37.7	175.6	-64.4	178.9	0	0	0	111.3	N321 H322 R330	N321-I326 HydrophobicContact CB-CG1 4.31Å; N321-I326 WeakPolarHBondContact O-CD1 3.37Å; H322-I326 PolarHBondContact O-N 3.23Å; I326-R330 HydrophobicContact CG2-CG 4.27Å; I326-R330 VanDerWaalsContact CG2-CZ 3.45Å; I326-R330 VanDerWaalsContact O-CB 3.31Å; I326-R330 WeakPolarHBondContact O-CB 3.4Å; I326-R330 VanDerWaalsContact O-CG 3.29Å; I326-R330 WeakPolarHBondContact O-CG 3.44Å; I326-R330 PolarHBondContact O-N 3.33Å
327	Q	90.9	Very high	93.9	Very high	69 Å²	69	44.8 Å²	44.8	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-54.2	178.1	-174.8	163.7	-62	0	0	111.9	D300 A323 S324 M325 I329 R330 N331	D300-Q327 PolarHBondContact OD2-NE2 2.81Å; A323-Q327 VanDerWaalsContact O-CB 3.3Å; A323-Q327 WeakPolarHBondContact O-CB 3.09Å; A323-Q327 PolarHBondContact O-N 3.45Å; S324-Q327 PolarHBondContact O-N 2.91Å; M325-Q327 PolarHBondContact O-N 2.78Å; Q327-I329 VanDerWaalsContact C-N 3.33Å; Q327-I329 PolarHBondContact O-N 3.31Å; Q327-R330 PolarHBondContact O-N 3.36Å; Q327-N331 VanDerWaalsContact CG-ND2 3.3Å; Q327-N331 WeakPolarHBondContact CG-ND2 3.39Å; Q327-N331 VanDerWaalsContact O-CB 3.27Å; Q327-N331 WeakPolarHBondContact O-CB 3.24Å; Q327-N331 PolarHBondContact O-N 3.43Å; Q327-N331 PolarHBondContact O-ND2 3.16Å
328	G	95.6	Very high	93.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-43.8	179.7	0	0	0	0	0	112.5	D300 S324 M325 N331 S332	D300-G328 WeakPolarHBondContact O-CA 3.44Å; D300-G328 WeakPolarHBondContact OD1-CA 3.14Å; D300-G328 PolarHBondContact OD1-N 3.4Å; D300-G328 VanDerWaalsContact OD1-N 3.12Å; S324-G328 PolarHBondContact O-N 2.89Å; M325-G328 PolarHBondContact O-N 3.2Å; G328-N331 PolarHBondContact O-N 3.44Å; G328-S332 PolarHBondContact O-N 3.49Å; G328-S332 VanDerWaalsContact O-N 3.08Å
329	I	96.4	Very high	93.8	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-60.7	-52	177	-63.4	168.5	0	0	0	110.6	L303 I315 M325 Q327 N331 S332 K336 A363	L303-I329 HydrophobicContact CB-CG1 4.24Å; L303-I329 HydrophobicContact CD1-CD1 4.27Å; L303-I329 HydrophobicContact CD1-CG1 4.17Å; L303-I329 HydrophobicContact CD2-CG1 4.33Å; L303-I329 HydrophobicContact CG-CG1 4.49Å; I315-I329 HydrophobicContact CB-CG2 4.11Å; I315-I329 HydrophobicContact CG1-CG2 4.3Å; I315-I329 HydrophobicContact CG2-CD1 3.75Å; I315-I329 HydrophobicContact CG2-CG1 3.9Å; I315-I329 HydrophobicContact CG2-CG2 3.92Å; M325-I329 HydrophobicContact CB-CD1 4.46Å; M325-I329 WeakPolarHBondContact O-CB 3.33Å; M325-I329 WeakPolarHBondContact O-CD1 3.28Å; M325-I329 WeakPolarHBondContact O-CG1 3.11Å; M325-I329 PolarHBondContact O-N 3.29Å; Q327-I329 VanDerWaalsContact C-N 3.33Å; Q327-I329 PolarHBondContact O-N 3.31Å; I329-N331 PolarHBondContact O-N 3.08Å; I329-S332 PolarHBondContact O-N 3.47Å; I329-S332 PolarHBondContact O-OG 3.02Å; I329-K336 HydrophobicContact CG2-CB 4.13Å; I329-K336 HydrophobicContact CG2-CD 4.35Å; I329-A363 HydrophobicContact CD1-CB 4.38Å
330	R	90.4	Very high	94	Very high	152 Å²	152	52.5 Å²	52.5	57%	0.574	27%	0.272	S	S	*	.	H	α-helix	trans	-64.9	-40.6	-179.8	-74.3	-165.6	-57.6	-143.2	1.7	112.7	I326 Q327 S332 G333	I326-R330 HydrophobicContact CG2-CG 4.27Å; I326-R330 VanDerWaalsContact CG2-CZ 3.45Å; I326-R330 VanDerWaalsContact O-CB 3.31Å; I326-R330 WeakPolarHBondContact O-CB 3.4Å; I326-R330 VanDerWaalsContact O-CG 3.29Å; I326-R330 WeakPolarHBondContact O-CG 3.44Å; I326-R330 PolarHBondContact O-N 3.33Å; Q327-R330 PolarHBondContact O-N 3.36Å; R330-S332 VanDerWaalsContact C-N 3.3Å; R330-S332 PolarHBondContact O-N 2.88Å; R330-G333 PolarHBondContact O-N 2.96Å
331	N	92.4	Very high	94.2	Very high	92 Å²	92	53.8 Å²	53.8	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-68	-29.7	-177.6	-71.2	-11.8	0	0	0	112.4	F304 Q327 G328 I329 G333	F304-N331 HydrophobicContact CD2-CB 3.74Å; F304-N331 HydrophobicContact CE2-CB 4.1Å; F304-N331 WeakPolarHBondContact CE2-O 3.45Å; Q327-N331 VanDerWaalsContact CG-ND2 3.3Å; Q327-N331 WeakPolarHBondContact CG-ND2 3.39Å; Q327-N331 VanDerWaalsContact O-CB 3.27Å; Q327-N331 WeakPolarHBondContact O-CB 3.24Å; Q327-N331 PolarHBondContact O-N 3.43Å; Q327-N331 PolarHBondContact O-ND2 3.16Å; G328-N331 PolarHBondContact O-N 3.44Å; I329-N331 PolarHBondContact O-N 3.08Å; N331-G333 PolarHBondContact O-N 2.7Å
332	S	96	Very high	94.2	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-33.8	177.5	73.9	0	0	0	0	112.9	K308 G328 I329 R330 A334	K308-S332 WeakPolarHBondContact CD-O 3.42Å; K308-S332 PolarHBondContact NZ-O 3.28Å; G328-S332 PolarHBondContact O-N 3.49Å; G328-S332 VanDerWaalsContact O-N 3.08Å; I329-S332 PolarHBondContact O-N 3.47Å; I329-S332 PolarHBondContact O-OG 3.02Å; R330-S332 VanDerWaalsContact C-N 3.3Å; R330-S332 PolarHBondContact O-N 2.88Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 VanDerWaalsContact OG-CB 3.3Å; S332-A334 WeakPolarHBondContact OG-CB 3.24Å; S332-A334 PolarHBondContact OG-N 3.38Å
333	G	93.2	Very high	94.3	Very high	64 Å²	64	53.2 Å²	53.2	66%	0.66	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	9.5	-168.8	0	0	0	0	0	114.3	R330 N331	R330-G333 PolarHBondContact O-N 2.96Å; N331-G333 PolarHBondContact O-N 2.7Å
334	A	95.3	Very high	94.7	Very high	22 Å²	22	52.9 Å²	52.9	18%	0.182	26%	0.262	C	S	.	.			trans	-64.2	154.9	174.4	0	0	0	0	0	112	A307 I315 S332 K336	A307-A334 HydrophobicContact CB-CB 3.96Å; I315-A334 HydrophobicContact CG1-CB 4.03Å; S332-A334 VanDerWaalsContact C-N 3.26Å; S332-A334 VanDerWaalsContact OG-CB 3.3Å; S332-A334 WeakPolarHBondContact OG-CB 3.24Å; S332-A334 PolarHBondContact OG-N 3.38Å; A334-K336 PolarHBondContact O-N 3.12Å
335	K	95.8	Very high	94.8	Very high	116 Å²	116	56.1 Å²	56.1	50%	0.504	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	128	174.3	-174.8	-179.6	173.1	-154.7	0	107.8	E314 I315 F337	E314-K335 CarbonylContact C-O 3.55Å; E314-K335 WeakPolarHBondContact CA-O 3.27Å; E314-K335 HydrophobicContact CG-CD 4.3Å; E314-K335 WeakPolarHBondContact OE1-CD 3.1Å; E314-K335 WeakPolarHBondContact OE1-CE 3.36Å; E314-K335 IonicContact OE1-NZ 2.77Å; E314-K335 PolarHBondContact OE1-NZ 3.24Å; I315-K335 PolarHBondContact N-O 2.99Å; K335-F337 HydrophobicContact CD-CE2 4.3Å; K335-F337 HydrophobicContact CD-CZ 4.08Å; K335-F337 HydrophobicContact CG-CE2 4.26Å; K335-F337 HydrophobicContact CG-CZ 4.31Å
336	K	96.6	Very high	94.8	Very high	99 Å²	99	57.7 Å²	57.7	43%	0.43	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	143	-176.8	73.8	-176.7	-175.4	177.6	0	111.7	I315 I329 A334	I315-K336 HydrophobicContact CB-CB 4.47Å; I315-K336 CarbonylContact O-C 3.25Å; I315-K336 VanDerWaalsContact O-CA 3.24Å; I315-K336 WeakPolarHBondContact O-CA 3.47Å; I329-K336 HydrophobicContact CG2-CB 4.13Å; I329-K336 HydrophobicContact CG2-CD 4.35Å; A334-K336 PolarHBondContact O-N 3.12Å
337	F	97.2	Very high	95.2	Very high	39 Å²	39	55.2 Å²	55.2	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.4	172.2	-53.8	-87.6	0	0	0	108.1	E314 I315 Y316 S317 K335 L350	E314-F337 HydrophobicContact CB-CE2 4.07Å; E314-F337 HydrophobicContact CG-CE2 4.21Å; I315-F337 PolarHBondContact O-N 3.22Å; Y316-F337 HydrophobicContact CD1-CB 3.94Å; Y316-F337 AromaticContact CD1-CD2 3.93Å; Y316-F337 HydrophobicContact CD1-CD2 3.93Å; Y316-F337 HydrophobicContact CD1-CG 4.23Å; Y316-F337 HydrophobicContact CD2-CD2 4.46Å; Y316-F337 HydrophobicContact CE1-CB 4.16Å; Y316-F337 AromaticContact CE1-CD2 3.47Å; Y316-F337 HydrophobicContact CE1-CD2 3.47Å; Y316-F337 VanDerWaalsContact CE1-CD2 3.47Å; Y316-F337 AromaticContact CE1-CE2 3.9Å; Y316-F337 HydrophobicContact CE1-CE2 3.9Å; Y316-F337 AromaticContact CE1-CG 3.94Å; Y316-F337 HydrophobicContact CE1-CG 3.94Å; Y316-F337 HydrophobicContact CE2-CD2 4.04Å; Y316-F337 HydrophobicContact CE2-CE2 4.22Å; Y316-F337 HydrophobicContact CG-CD2 4.39Å; Y316-F337 AromaticContact CZ-CD2 3.52Å; Y316-F337 AromaticContact CZ-CE2 3.58Å; Y316-F337 WeakPolarHBondContact OH-CE2 3.42Å; S317-F337 PolarHBondContact N-O 3.39Å; K335-F337 HydrophobicContact CD-CE2 4.3Å; K335-F337 HydrophobicContact CD-CZ 4.08Å; K335-F337 HydrophobicContact CG-CE2 4.26Å; K335-F337 HydrophobicContact CG-CZ 4.31Å; F337-L350 HydrophobicContact CB-CD1 4.19Å; F337-L350 HydrophobicContact CB-CD2 4.4Å; F337-L350 HydrophobicContact CD1-CD2 4.33Å
338	I	96.4	Very high	95.5	Very high	95 Å²	95	56 Å²	56	49%	0.487	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	112.3	-178.2	-59	175.5	0	0	0	108	S317 A319 H346	S317-I338 VanDerWaalsContact O-CA 3.28Å; S317-I338 WeakPolarHBondContact O-CA 3.13Å; A319-I338 HydrophobicContact CB-CG2 3.82Å; I338-H346 PolarHBondContact O-CE1 3.15Å
339	F	97.6	Very high	95.7	Very high	1 Å²	1	60 Å²	60	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	160.6	172.6	61.6	-87.2	0	0	0	110.6	S317 D318 A319 H346 L347 L350 V362 F364 M380	S317-F339 VanDerWaalsContact C-CD1 3.45Å; S317-F339 WeakPolarHBondContact O-CD1 3.43Å; S317-F339 PolarHBondContact O-N 3.19Å; S317-F339 VanDerWaalsContact O-N 3.1Å; D318-F339 HydrophobicContact CB-CD2 4.44Å; D318-F339 HydrophobicContact CB-CE1 4.18Å; D318-F339 HydrophobicContact CB-CE2 3.7Å; D318-F339 HydrophobicContact CB-CZ 3.56Å; D318-F339 WeakPolarHBondContact OD2-CE2 3.11Å; A319-F339 VanDerWaalsContact CB-O 3.27Å; A319-F339 WeakPolarHBondContact CB-O 3.42Å; A319-F339 PolarHBondContact N-O 3.44Å; A319-F339 VanDerWaalsContact N-O 3.1Å; F339-H346 WeakPolarHBondContact CA-ND1 3.36Å; F339-L347 HydrophobicContact CB-CB 4.13Å; F339-L347 HydrophobicContact CD1-CB 4.43Å; F339-L347 HydrophobicContact CD1-CD1 3.74Å; F339-L347 HydrophobicContact CD2-CB 4.13Å; F339-L347 HydrophobicContact CE1-CD1 3.96Å; F339-L347 HydrophobicContact CE1-CD2 4.44Å; F339-L347 HydrophobicContact CG-CB 4.03Å; F339-L347 HydrophobicContact CG-CD1 4.2Å; F339-L347 HydrophobicContact CZ-CD2 4.33Å; F339-L350 HydrophobicContact CB-CD1 3.9Å; F339-V362 HydrophobicContact CE1-CG1 4.1Å; F339-V362 HydrophobicContact CZ-CG1 4.27Å; F339-F364 HydrophobicContact CZ-CB 4.37Å; F339-M380 HydrophobicContact CE2-CE 3.95Å; F339-M380 HydrophobicContact CE2-SD 3.86Å; F339-M380 HydrophobicContact CZ-CE 4.49Å; F339-M380 HydrophobicContact CZ-SD 4.02Å
340	R	93.9	Very high	95.7	Very high	138 Å²	138	60.8 Å²	60.8	52%	0.521	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-72	148.3	-179.9	-76.6	178.4	-56.7	-118.7	4.9	108	N342 D343 H346	R340-N342 PolarHBondContact O-N 2.91Å; R340-N342 VanDerWaalsContact O-N 3.15Å; R340-D343 HydrophobicContact CB-CB 3.61Å; R340-D343 IonicContact CZ-OD2 2.65Å; R340-D343 IonicContact NE-OD2 3.39Å; R340-D343 PolarHBondContact NE-OD2 2.81Å; R340-D343 IonicContact NH2-OD2 2.75Å; R340-D343 PolarHBondContact NH2-OD2 3.35Å; R340-D343 VanDerWaalsContact O-CB 3.3Å; R340-D343 WeakPolarHBondContact O-CB 3.22Å; R340-D343 PolarHBondContact O-N 2.82Å; R340-H346 PolarHBondContact N-ND1 2.68Å
341	H	93.7	Very high	96.1	Very high	48 Å²	48	53.7 Å²	53.7	22%	0.222	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	121.4	-172.5	-176.1	48.8	0	0	0	111.5	D318 D343 H368 D371	D318-H341 IonicContact OD1-CE1 3.01Å; D318-H341 IonicContact OD1-CG 2.68Å; D318-H341 IonicContact OD1-ND1 3.31Å; D318-H341 PolarHBondContact OD1-ND1 2.96Å; D318-H341 WeakPolarHBondContact OD2-CA 3.45Å; D318-H341 IonicContact OD2-ND1 2.9Å; D318-H341 PolarHBondContact OD2-ND1 3.35Å; H341-D343 PolarHBondContact O-N 2.84Å; H341-H368 AromaticContact NE2-ND1 3.92Å; H341-D371 IonicContact CD2-OD2 3.12Å; H341-D371 IonicContact NE2-OD2 2.91Å
342	N	92.4	Very high	96.3	Very high	28 Å²	28	54.7 Å²	54.7	15%	0.15	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	20.9	-175.2	-66.3	-46.2	0	0	0	116.2	D318 R340 L344 C375	D318-N342 PolarHBondContact OD2-N 2.76Å; R340-N342 PolarHBondContact O-N 2.91Å; R340-N342 VanDerWaalsContact O-N 3.15Å; N342-L344 PolarHBondContact O-N 2.86Å; N342-C375 VanDerWaalsContact OD1-CA 3.24Å; N342-C375 WeakPolarHBondContact OD1-CA 3.17Å; N342-C375 WeakPolarHBondContact OD1-CB 3.42Å
343	D	95.1	Very high	96.3	Very high	36 Å²	36	60.8 Å²	60.8	19%	0.193	31%	0.307	C	S	.	.			trans	-95.5	97.6	-177.3	-172.6	-21.6	0	0	0	112.7	R340 H341 A345 H346 L347	R340-D343 HydrophobicContact CB-CB 3.61Å; R340-D343 IonicContact CZ-OD2 2.65Å; R340-D343 IonicContact NE-OD2 3.39Å; R340-D343 PolarHBondContact NE-OD2 2.81Å; R340-D343 IonicContact NH2-OD2 2.75Å; R340-D343 PolarHBondContact NH2-OD2 3.35Å; R340-D343 VanDerWaalsContact O-CB 3.3Å; R340-D343 WeakPolarHBondContact O-CB 3.22Å; R340-D343 PolarHBondContact O-N 2.82Å; H341-D343 PolarHBondContact O-N 2.84Å; D343-A345 VanDerWaalsContact C-N 3.32Å; D343-A345 PolarHBondContact O-N 2.6Å; D343-A345 WeakPolarHBondContact OD1-CA 3.18Å; D343-A345 WeakPolarHBondContact OD1-CB 3.37Å; D343-A345 PolarHBondContact OD1-N 2.8Å; D343-H346 HydrophobicContact CB-CB 4.16Å; D343-H346 PolarHBondContact O-N 2.96Å; D343-H346 PolarHBondContact OD1-N 2.92Å; D343-L347 PolarHBondContact O-N 3.41Å
344	L	96.3	Very high	96.2	Very high	51 Å²	51	58.3 Å²	58.3	27%	0.267	28%	0.282	S	S	.	.	H	α-helix	trans	-60.9	-35.6	176	-64.6	167.4	0	0	0	113.2	N342 L347 R348 P376 E379 M380 L383	N342-L344 PolarHBondContact O-N 2.86Å; L344-L347 PolarHBondContact O-N 3.03Å; L344-R348 WeakPolarHBondContact O-CB 3.3Å; L344-R348 PolarHBondContact O-N 3.11Å; L344-P376 HydrophobicContact CD1-CB 4.13Å; L344-P376 HydrophobicContact CD1-CG 3.9Å; L344-P376 HydrophobicContact CD2-CG 4.18Å; L344-P376 HydrophobicContact CG-CG 3.96Å; L344-E379 HydrophobicContact CD1-CB 3.57Å; L344-E379 HydrophobicContact CD1-CG 4.32Å; L344-E379 HydrophobicContact CD2-CB 4.03Å; L344-E379 HydrophobicContact CG-CB 4.47Å; L344-M380 HydrophobicContact CD2-CB 4.09Å; L344-M380 HydrophobicContact CD2-CE 4.2Å; L344-M380 HydrophobicContact CD2-SD 3.89Å; L344-L383 HydrophobicContact CB-CD2 4.31Å; L344-L383 HydrophobicContact CD2-CD2 4.17Å; L344-L383 VanDerWaalsContact O-CD2 3.25Å; L344-L383 WeakPolarHBondContact O-CD2 3.46Å
345	A	97.8	Very high	95.9	Very high	70 Å²	70	60 Å²	60	58%	0.579	29%	0.288	S	S	*	.	H	α-helix	trans	-70.6	-41.5	-177.5	0	0	0	0	0	111	D343 R348 E349	D343-A345 VanDerWaalsContact C-N 3.32Å; D343-A345 PolarHBondContact O-N 2.6Å; D343-A345 WeakPolarHBondContact OD1-CA 3.18Å; D343-A345 WeakPolarHBondContact OD1-CB 3.37Å; D343-A345 PolarHBondContact OD1-N 2.8Å; A345-R348 PolarHBondContact O-N 3.49Å; A345-E349 WeakPolarHBondContact O-CB 3.38Å; A345-E349 PolarHBondContact O-N 3.29Å
346	H	97.8	Very high	95.7	Very high	32 Å²	32	59.9 Å²	59.9	15%	0.148	30%	0.299	C	S	.	.	H	α-helix	trans	-70.3	-35.5	173.9	-169.3	-154.9	0	0	0	112.2	I338 F339 R340 D343 E349 L350	I338-H346 PolarHBondContact O-CE1 3.15Å; F339-H346 WeakPolarHBondContact CA-ND1 3.36Å; R340-H346 PolarHBondContact N-ND1 2.68Å; D343-H346 HydrophobicContact CB-CB 4.16Å; D343-H346 PolarHBondContact O-N 2.96Å; D343-H346 PolarHBondContact OD1-N 2.92Å; H346-E349 IonicContact CD2-OE2 3.64Å; H346-E349 PolarHBondContact O-N 2.7Å; H346-L350 VanDerWaalsContact O-CG 3.31Å; H346-L350 WeakPolarHBondContact O-CG 3.39Å; H346-L350 PolarHBondContact O-N 3.42Å; H346-L350 VanDerWaalsContact O-N 3.1Å
347	L	98.3	Very high	95.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-46.3	172.4	175.7	58.1	0	0	0	111	Y316 F339 D343 L344 L350 L351 V362 M380 L383	Y316-L347 HydrophobicContact CD1-CD1 4.28Å; Y316-L347 HydrophobicContact CG-CD1 4.41Å; F339-L347 HydrophobicContact CB-CB 4.13Å; F339-L347 HydrophobicContact CD1-CB 4.43Å; F339-L347 HydrophobicContact CD1-CD1 3.74Å; F339-L347 HydrophobicContact CD2-CB 4.13Å; F339-L347 HydrophobicContact CE1-CD1 3.96Å; F339-L347 HydrophobicContact CE1-CD2 4.44Å; F339-L347 HydrophobicContact CG-CB 4.03Å; F339-L347 HydrophobicContact CG-CD1 4.2Å; F339-L347 HydrophobicContact CZ-CD2 4.33Å; D343-L347 PolarHBondContact O-N 3.41Å; L344-L347 PolarHBondContact O-N 3.03Å; L347-L350 PolarHBondContact O-N 2.89Å; L347-L351 HydrophobicContact CD1-CD1 3.78Å; L347-L351 HydrophobicContact CD1-CG 3.91Å; L347-L351 HydrophobicContact CD2-CD1 4.39Å; L347-L351 HydrophobicContact CG-CD1 3.75Å; L347-L351 HydrophobicContact CG-CG 4.33Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.18Å; L347-V362 HydrophobicContact CD1-CG1 4.23Å; L347-V362 HydrophobicContact CD1-CG2 4.4Å; L347-V362 HydrophobicContact CD2-CG1 3.79Å; L347-M380 HydrophobicContact CD2-CG 4.32Å; L347-M380 HydrophobicContact CD2-SD 3.38Å; L347-M380 WeakPolarHBondContact CD2-SD 3.27Å; L347-L383 HydrophobicContact CB-CD2 4.02Å; L347-L383 HydrophobicContact CD2-CD2 3.89Å; L347-L383 HydrophobicContact CD2-CG 4.32Å; L347-L383 HydrophobicContact CG-CD2 3.86Å; L347-L383 HydrophobicContact CG-CG 4.38Å
348	R	98.6	Very high	95.5	Very high	86 Å²	86	62.4 Å²	62.4	33%	0.325	32%	0.319	S	S	.	.	H	α-helix	trans	-57.7	-49.7	175.1	178.9	175.7	-71.4	-81.1	-1.3	111.5	L344 A345 L350 L351 E352 L383 E386 F387	L344-R348 WeakPolarHBondContact O-CB 3.3Å; L344-R348 PolarHBondContact O-N 3.11Å; A345-R348 PolarHBondContact O-N 3.49Å; R348-L350 PolarHBondContact O-N 2.96Å; R348-L350 VanDerWaalsContact O-N 3.15Å; R348-L351 PolarHBondContact O-N 3.34Å; R348-L351 VanDerWaalsContact O-N 3.12Å; R348-E352 WeakPolarHBondContact CD-OE1 3.48Å; R348-E352 HydrophobicContact CG-CG 4.19Å; R348-E352 WeakPolarHBondContact CG-OE1 3.3Å; R348-E352 WeakPolarHBondContact O-CB 3.42Å; R348-E352 WeakPolarHBondContact O-CG 3.42Å; R348-E352 PolarHBondContact O-N 2.71Å; R348-L383 HydrophobicContact CB-CD1 3.89Å; R348-L383 HydrophobicContact CB-CD2 4.09Å; R348-L383 HydrophobicContact CG-CD1 4.21Å; R348-E386 IonicContact CZ-OE1 3.57Å; R348-E386 IonicContact CZ-OE2 3.63Å; R348-E386 IonicContact NH1-OE1 2.7Å; R348-E386 PolarHBondContact NH1-OE1 3.26Å; R348-E386 IonicContact NH1-OE2 3.85Å; R348-E386 PolarHBondContact NH1-OE2 3.31Å; R348-E386 IonicContact NH2-OE1 2.83Å; R348-E386 PolarHBondContact NH2-OE1 2.73Å; R348-E386 IonicContact NH2-OE2 3.91Å; R348-E386 PolarHBondContact NH2-OE2 3.49Å; R348-F387 HydrophobicContact CG-CE2 4.49Å; R348-F387 HydrophobicContact CG-CZ 4.47Å
349	E	98.3	Very high	95.6	Very high	84 Å²	84	59.6 Å²	59.6	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-32.1	178.4	-163.4	-154	144.2	0	0	113.1	A345 H346 K353	A345-E349 WeakPolarHBondContact O-CB 3.38Å; A345-E349 PolarHBondContact O-N 3.29Å; H346-E349 IonicContact CD2-OE2 3.64Å; H346-E349 PolarHBondContact O-N 2.7Å; E349-K353 VanDerWaalsContact O-CD 3.25Å; E349-K353 WeakPolarHBondContact O-CD 3.45Å; E349-K353 WeakPolarHBondContact O-CE 3.28Å; E349-K353 WeakPolarHBondContact O-CG 3.31Å; E349-K353 IonicContact OE1-NZ 3.12Å; E349-K353 PolarHBondContact OE1-NZ 2.91Å
350	L	97.8	Very high	95.6	Very high	22 Å²	22	59.8 Å²	59.8	12%	0.115	31%	0.308	C	S	.	.	H	α-helix	trans	-81.1	-42	176.6	-68.1	169.9	0	0	0	112	Y316 F337 F339 H346 L347 R348 K353 G354	Y316-L350 HydrophobicContact CD1-CB 4.04Å; Y316-L350 HydrophobicContact CE1-CB 4.02Å; F337-L350 HydrophobicContact CB-CD1 4.19Å; F337-L350 HydrophobicContact CB-CD2 4.4Å; F337-L350 HydrophobicContact CD1-CD2 4.33Å; F339-L350 HydrophobicContact CB-CD1 3.9Å; H346-L350 VanDerWaalsContact O-CG 3.31Å; H346-L350 WeakPolarHBondContact O-CG 3.39Å; H346-L350 PolarHBondContact O-N 3.42Å; H346-L350 VanDerWaalsContact O-N 3.1Å; L347-L350 PolarHBondContact O-N 2.89Å; R348-L350 PolarHBondContact O-N 2.96Å; R348-L350 VanDerWaalsContact O-N 3.15Å; L350-K353 PolarHBondContact O-N 3.07Å; L350-G354 PolarHBondContact O-N 2.66Å
351	L	97.9	Very high	95.8	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-65.3	-37.8	178.3	-73.8	169	0	0	0	112.3	Y316 L347 R348 K353 G354 K360 V362 L383 F387	Y316-L351 HydrophobicContact CD1-CD2 3.84Å; Y316-L351 HydrophobicContact CD1-CG 4.14Å; Y316-L351 HydrophobicContact CD2-CD2 3.92Å; Y316-L351 HydrophobicContact CE1-CD2 3.8Å; Y316-L351 HydrophobicContact CE1-CG 4.19Å; Y316-L351 HydrophobicContact CE2-CD2 3.91Å; Y316-L351 HydrophobicContact CG-CD2 3.92Å; L347-L351 HydrophobicContact CD1-CD1 3.78Å; L347-L351 HydrophobicContact CD1-CG 3.91Å; L347-L351 HydrophobicContact CD2-CD1 4.39Å; L347-L351 HydrophobicContact CG-CD1 3.75Å; L347-L351 HydrophobicContact CG-CG 4.33Å; L347-L351 WeakPolarHBondContact O-CG 3.46Å; L347-L351 PolarHBondContact O-N 3.18Å; R348-L351 PolarHBondContact O-N 3.34Å; R348-L351 VanDerWaalsContact O-N 3.12Å; L351-K353 PolarHBondContact O-N 3.46Å; L351-G354 PolarHBondContact O-N 2.94Å; L351-K360 HydrophobicContact CD2-CD 4.19Å; L351-V362 HydrophobicContact CD2-CG2 4.4Å; L351-L383 HydrophobicContact CD1-CD1 4.28Å; L351-L383 HydrophobicContact CD1-CG 4.02Å; L351-F387 HydrophobicContact CB-CB 4.01Å; L351-F387 HydrophobicContact CB-CD1 3.85Å; L351-F387 HydrophobicContact CB-CD2 3.98Å; L351-F387 HydrophobicContact CB-CE1 4.33Å; L351-F387 HydrophobicContact CB-CE2 4.45Å; L351-F387 HydrophobicContact CB-CG 3.66Å; L351-F387 HydrophobicContact CD1-CB 4.2Å; L351-F387 HydrophobicContact CD1-CD2 4.02Å; L351-F387 HydrophobicContact CD1-CG 4.23Å; L351-F387 HydrophobicContact CD2-CB 4.11Å; L351-F387 HydrophobicContact CG-CB 4.34Å; L351-F387 HydrophobicContact CG-CG 4.41Å
352	E	97.4	Very high	96.1	Very high	114 Å²	114	50.9 Å²	50.9	53%	0.533	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.9	174.5	-74.6	173.8	178.8	0	0	113.3	R348 F387	R348-E352 WeakPolarHBondContact CD-OE1 3.48Å; R348-E352 HydrophobicContact CG-CG 4.19Å; R348-E352 WeakPolarHBondContact CG-OE1 3.3Å; R348-E352 WeakPolarHBondContact O-CB 3.42Å; R348-E352 WeakPolarHBondContact O-CG 3.42Å; R348-E352 PolarHBondContact O-N 2.71Å; E352-F387 HydrophobicContact CB-CE1 4.3Å; E352-F387 HydrophobicContact CG-CE1 3.58Å; E352-F387 HydrophobicContact CG-CZ 3.53Å
353	K	95.1	Very high	96.4	Very high	129 Å²	129	49.6 Å²	49.6	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.6	175.3	-61.8	168.5	-166.7	168	0	112.9	E349 L350 L351	E349-K353 VanDerWaalsContact O-CD 3.25Å; E349-K353 WeakPolarHBondContact O-CD 3.45Å; E349-K353 WeakPolarHBondContact O-CE 3.28Å; E349-K353 WeakPolarHBondContact O-CG 3.31Å; E349-K353 IonicContact OE1-NZ 3.12Å; E349-K353 PolarHBondContact OE1-NZ 2.91Å; L350-K353 PolarHBondContact O-N 3.07Å; L351-K353 PolarHBondContact O-N 3.46Å
354	G	90.9	Very high	96.6	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	26%	0.256	C	S	.	.	S	Bend	trans	-76.9	156.1	177.1	0	0	0	0	0	112.4	Y316 L350 L351 P356	Y316-G354 WeakPolarHBondContact OH-CA 3.16Å; L350-G354 PolarHBondContact O-N 2.66Å; L351-G354 PolarHBondContact O-N 2.94Å; G354-P356 WeakPolarHBondContact O-CD 3.44Å
355	D	89.4	Confident	96.7	Very high	59 Å²	59	45.9 Å²	45.9	32%	0.316	25%	0.246	S	C	.	.			trans	-80.2	117.7	173.9	173.7	-9.4	0	0	0	109.1	T357 K358 K360	D355-T357 VanDerWaalsContact CG-OG1 3.27Å; D355-T357 PolarHBondContact O-N 2.9Å; D355-T357 VanDerWaalsContact O-N 3.12Å; D355-T357 WeakPolarHBondContact OD1-CB 3.26Å; D355-T357 PolarHBondContact OD1-N 2.93Å; D355-T357 PolarHBondContact OD1-OG1 3.23Å; D355-T357 PolarHBondContact OD2-OG1 2.66Å; D355-K358 HydrophobicContact CB-CB 4.4Å; D355-K358 HydrophobicContact CB-CG 3.68Å; D355-K358 PolarHBondContact O-N 2.87Å; D355-K358 VanDerWaalsContact OD2-CE 3.22Å; D355-K358 WeakPolarHBondContact OD2-CE 3.44Å; D355-K358 IonicContact OD2-NZ 2.66Å; D355-K360 WeakPolarHBondContact O-CE 3.46Å; D355-K360 PolarHBondContact O-NZ 3.12Å
356	P	90.8	Very high	96.7	Very high	113 Å²	113	42.6 Å²	42.6	73%	0.734	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.5	-177.3	25.5	-34.3	0	0	0	112.6	G354 K358 K360	G354-P356 WeakPolarHBondContact O-CD 3.44Å; P356-K358 VanDerWaalsContact C-N 3.35Å; P356-K360 PolarHBondContact O-NZ 2.85Å
357	T	93.3	Very high	96.7	Very high	111 Å²	111	41.1 Å²	41.1	68%	0.681	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-12.4	178.5	74	0	0	0	0	113.9	D355	D355-T357 VanDerWaalsContact CG-OG1 3.27Å; D355-T357 PolarHBondContact O-N 2.9Å; D355-T357 VanDerWaalsContact O-N 3.12Å; D355-T357 WeakPolarHBondContact OD1-CB 3.26Å; D355-T357 PolarHBondContact OD1-N 2.93Å; D355-T357 PolarHBondContact OD1-OG1 3.23Å; D355-T357 PolarHBondContact OD2-OG1 2.66Å
358	K	96.1	Very high	96.6	Very high	80 Å²	80	42 Å²	42	35%	0.348	22%	0.216	S	C	.	.	S	Bend	trans	-85.6	142.3	178	-60.3	-59.5	175.1	-154.5	0	111.6	E314 D355 P356 K360	E314-K358 HydrophobicContact CG-CB 4.43Å; D355-K358 HydrophobicContact CB-CB 4.4Å; D355-K358 HydrophobicContact CB-CG 3.68Å; D355-K358 PolarHBondContact O-N 2.87Å; D355-K358 VanDerWaalsContact OD2-CE 3.22Å; D355-K358 WeakPolarHBondContact OD2-CE 3.44Å; D355-K358 IonicContact OD2-NZ 2.66Å; P356-K358 VanDerWaalsContact C-N 3.35Å; K358-K360 WeakPolarHBondContact O-CG 3.45Å; K358-K360 PolarHBondContact O-NZ 3.05Å
359	P	98.3	Very high	96.2	Very high	35 Å²	35	38.2 Å²	38.2	23%	0.227	20%	0.202	C	C	.	.			trans	-65.4	138.1	166.6	28.1	-31.3	0	0	0	109.5	L310 P311 C313 E314	L310-P359 HydrophobicContact CB-CB 4.12Å; L310-P359 HydrophobicContact CB-CG 3.81Å; L310-P359 HydrophobicContact CD1-CB 4.36Å; L310-P359 HydrophobicContact CD2-CB 4.17Å; L310-P359 HydrophobicContact CD2-CG 4.5Å; L310-P359 HydrophobicContact CG-CB 4.45Å; P311-P359 WeakPolarHBondContact O-CD 3.45Å; C313-P359 WeakPolarHBondContact CA-O 3.42Å; E314-P359 PolarHBondContact N-O 3.14Å
360	K	98.6	Very high	95.8	Very high	5 Å²	5	35.7 Å²	35.7	2%	0.022	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.1	-176.7	-54.5	175.5	-163.9	68.6	0	110.3	E314 Y316 L351 D355 P356 K358 F387 A389 I390	E314-K360 HydrophobicContact CB-CG 4.32Å; E314-K360 CarbonylContact O-C 3.49Å; E314-K360 VanDerWaalsContact O-CA 3.23Å; E314-K360 WeakPolarHBondContact O-CA 3.4Å; Y316-K360 HydrophobicContact CD2-CB 4.26Å; Y316-K360 HydrophobicContact CE2-CB 3.96Å; Y316-K360 HydrophobicContact CE2-CD 3.83Å; Y316-K360 HydrophobicContact CE2-CG 3.91Å; L351-K360 HydrophobicContact CD2-CD 4.19Å; D355-K360 WeakPolarHBondContact O-CE 3.46Å; D355-K360 PolarHBondContact O-NZ 3.12Å; P356-K360 PolarHBondContact O-NZ 2.85Å; K358-K360 WeakPolarHBondContact O-CG 3.45Å; K358-K360 PolarHBondContact O-NZ 3.05Å; K360-F387 PolarHBondContact NZ-O 2.96Å; K360-A389 HydrophobicContact CB-CB 3.51Å; K360-A389 HydrophobicContact CD-CB 4.48Å; K360-A389 WeakPolarHBondContact O-CA 3.35Å; K360-I390 PolarHBondContact O-N 3.03Å
361	I	98.9	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.1	170.4	-49.7	-178.2	0	0	0	108.8	L303 L306 L310 E314 I315 Y316 I390 F392	L303-I361 HydrophobicContact CD2-CG2 4.33Å; L306-I361 HydrophobicContact CB-CD1 3.88Å; L306-I361 HydrophobicContact CD1-CD1 4.49Å; L310-I361 HydrophobicContact CD1-CD1 4.26Å; E314-I361 PolarHBondContact O-N 3.43Å; I315-I361 WeakPolarHBondContact CA-O 3.38Å; I315-I361 HydrophobicContact CD1-CB 3.75Å; I315-I361 HydrophobicContact CD1-CD1 3.85Å; I315-I361 HydrophobicContact CD1-CG1 3.88Å; Y316-I361 PolarHBondContact N-O 3.12Å; I361-I390 CarbonylContact C-O 3.48Å; I361-I390 VanDerWaalsContact CA-O 3.31Å; I361-I390 WeakPolarHBondContact CA-O 3.24Å; I361-I390 HydrophobicContact CB-CG1 4.42Å; I361-I390 HydrophobicContact CD1-CD1 4.48Å; I361-I390 HydrophobicContact CG1-CD1 4.18Å; I361-I390 HydrophobicContact CG1-CG1 3.92Å; I361-I390 HydrophobicContact CG2-CG1 4.4Å; I361-F392 HydrophobicContact CG2-CB 3.77Å
362	V	98.9	Very high	94.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.8	168	-177	0	0	0	0	108.1	Y316 F339 L347 L351 F364 A384 A389 I390 T391 F392	Y316-V362 CarbonylContact O-C 3.43Å; Y316-V362 WeakPolarHBondContact O-CA 3.48Å; F339-V362 HydrophobicContact CE1-CG1 4.1Å; F339-V362 HydrophobicContact CZ-CG1 4.27Å; L347-V362 HydrophobicContact CD1-CG1 4.23Å; L347-V362 HydrophobicContact CD1-CG2 4.4Å; L347-V362 HydrophobicContact CD2-CG1 3.79Å; L351-V362 HydrophobicContact CD2-CG2 4.4Å; V362-F364 HydrophobicContact CG1-CD1 4Å; V362-F364 HydrophobicContact CG1-CE1 4.18Å; V362-A384 HydrophobicContact CB-CB 3.93Å; V362-A384 HydrophobicContact CG1-CB 4.49Å; V362-A384 HydrophobicContact CG2-CB 3.6Å; V362-A389 HydrophobicContact CG2-CB 3.76Å; V362-I390 PolarHBondContact N-O 2.89Å; V362-T391 WeakPolarHBondContact O-CA 3.34Å; V362-F392 PolarHBondContact O-N 2.72Å
363	A	98.9	Very high	94.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.1	-173.7	0	0	0	0	0	112	L303 Y316 D318 N321 I329 F392	L303-A363 HydrophobicContact CD2-CB 4.32Å; Y316-A363 PolarHBondContact O-N 2.93Å; D318-A363 PolarHBondContact N-O 2.94Å; N321-A363 PolarHBondContact ND2-O 2.94Å; I329-A363 HydrophobicContact CD1-CB 4.38Å; A363-F392 VanDerWaalsContact CA-O 3.32Å; A363-F392 WeakPolarHBondContact CA-O 3.43Å; A363-F392 HydrophobicContact CB-CB 4.17Å; A363-F392 HydrophobicContact CB-CD1 4.44Å
364	F	98.8	Very high	94.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	162.3	-176.9	58.4	-81.2	0	0	0	113.1	D318 N321 F339 V362 C375 L377 M380 T391 F392 V393 D394	D318-F364 HydrophobicContact CB-CB 3.97Å; N321-F364 VanDerWaalsContact OD1-CA 3.27Å; N321-F364 WeakPolarHBondContact OD1-CA 3.26Å; F339-F364 HydrophobicContact CZ-CB 4.37Å; V362-F364 HydrophobicContact CG1-CD1 4Å; V362-F364 HydrophobicContact CG1-CE1 4.18Å; F364-C375 HydrophobicContact CD2-CB 4.26Å; F364-L377 HydrophobicContact CE2-CD1 3.7Å; F364-L377 HydrophobicContact CZ-CD1 4.01Å; F364-M380 HydrophobicContact CD1-CG 3.76Å; F364-M380 HydrophobicContact CD2-CG 4.11Å; F364-M380 HydrophobicContact CE1-CB 4.27Å; F364-M380 HydrophobicContact CE1-CG 3.44Å; F364-M380 VanDerWaalsContact CE1-CG 3.44Å; F364-M380 HydrophobicContact CE2-CB 4.1Å; F364-M380 HydrophobicContact CE2-CG 3.82Å; F364-M380 HydrophobicContact CG-CG 4.08Å; F364-M380 HydrophobicContact CZ-CB 3.83Å; F364-M380 HydrophobicContact CZ-CG 3.47Å; F364-M380 VanDerWaalsContact CZ-CG 3.47Å; F364-T391 HydrophobicContact CE1-CG2 4.39Å; F364-F392 PolarHBondContact N-O 3.06Å; F364-F392 VanDerWaalsContact N-O 3.13Å; F364-V393 HydrophobicContact CD2-CG1 4.47Å; F364-V393 HydrophobicContact CE1-CG2 3.95Å; F364-V393 HydrophobicContact CE2-CG1 3.98Å; F364-V393 HydrophobicContact CE2-CG2 4.16Å; F364-V393 HydrophobicContact CZ-CG1 4.3Å; F364-V393 HydrophobicContact CZ-CG2 3.64Å; F364-D394 PolarHBondContact O-N 2.99Å
365	E	98.6	Very high	94.6	Very high	10 Å²	10	25 Å²	25	5%	0.047	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	146.3	170.2	-63.8	-179.8	-140.9	0	0	110.9	H322 M325 H368 S369 D394	H322-E365 WeakPolarHBondContact CA-OE1 3.19Å; H322-E365 WeakPolarHBondContact CB-OE1 3.32Å; H322-E365 PolarHBondContact N-OE1 3.25Å; M325-E365 HydrophobicContact CE-CG 3.49Å; M325-E365 VanDerWaalsContact CE-CG 3.49Å; E365-H368 IonicContact OE1-CD2 2.6Å; E365-H368 WeakPolarHBondContact OE2-CA 3.42Å; E365-H368 IonicContact OE2-CD2 3.64Å; E365-H368 PolarHBondContact OE2-CD2 3.45Å; E365-S369 PolarHBondContact OE2-N 3.17Å; E365-D394 WeakPolarHBondContact CA-O 3.4Å; E365-D394 HydrophobicContact CG-CB 4.13Å
366	T	98.3	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-79	-55.3	171.9	62.9	0	0	0	0	112.2	V374 C375 L377 V393 D394 E395 I409 M419	T366-V374 CarbonylContact O-C 3.38Å; T366-V374 WeakPolarHBondContact O-CA 3.35Å; T366-C375 PolarHBondContact O-N 3.09Å; T366-L377 HydrophobicContact CG2-CD1 4.25Å; T366-V393 HydrophobicContact CG2-CG1 3.28Å; T366-D394 PolarHBondContact N-O 3.16Å; T366-E395 VanDerWaalsContact CB-OE2 3.31Å; T366-E395 WeakPolarHBondContact CB-OE2 3.48Å; T366-E395 VanDerWaalsContact CG2-CD 3.47Å; T366-E395 HydrophobicContact CG2-CG 3.82Å; T366-E395 VanDerWaalsContact CG2-OE2 3.31Å; T366-E395 WeakPolarHBondContact CG2-OE2 3.45Å; T366-E395 PolarHBondContact OG1-OE2 2.92Å; T366-I409 HydrophobicContact CG2-CB 4.28Å; T366-M419 HydrophobicContact CG2-CE 4.45Å
367	V	98	Very high	95.2	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-106.6	107.4	170.8	176.5	0	0	0	0	107	S369 A373 V374 H397 A398 Y402 I409 I512	V367-S369 PolarHBondContact O-N 3.11Å; V367-A373 WeakPolarHBondContact CA-O 3.22Å; V367-V374 HydrophobicContact CG2-CG2 4.11Å; V367-H397 HydrophobicContact CB-CB 3.78Å; V367-H397 HydrophobicContact CG1-CB 3.8Å; V367-H397 VanDerWaalsContact O-CB 3.3Å; V367-H397 WeakPolarHBondContact O-CB 3.46Å; V367-A398 HydrophobicContact CB-CB 4.49Å; V367-A398 HydrophobicContact CG2-CB 3.82Å; V367-Y402 HydrophobicContact CG2-CD2 4.3Å; V367-Y402 HydrophobicContact CG2-CE2 3.78Å; V367-I409 HydrophobicContact CG2-CD1 3.88Å; V367-I409 HydrophobicContact CG2-CG1 3.85Å; V367-I512 HydrophobicContact CG1-CD1 4.08Å
368	H	95.8	Very high	95.4	Very high	20 Å²	20	17.2 Å²	17.2	9%	0.093	9%	0.089	C	C	.	.			trans	-68.5	134.1	-176.3	173.6	-129.2	0	0	0	111.5	G320 H341 E365 M370 D371 G372 A373 I512	G320-H368 PolarHBondContact O-NE2 3.14Å; H341-H368 AromaticContact NE2-ND1 3.92Å; E365-H368 IonicContact OE1-CD2 2.6Å; E365-H368 WeakPolarHBondContact OE2-CA 3.42Å; E365-H368 IonicContact OE2-CD2 3.64Å; E365-H368 PolarHBondContact OE2-CD2 3.45Å; H368-M370 VanDerWaalsContact C-N 3.29Å; H368-M370 PolarHBondContact O-N 2.82Å; H368-M370 VanDerWaalsContact O-N 3.14Å; H368-D371 IonicContact CE1-OD1 2.75Å; H368-D371 IonicContact CE1-OD2 2.88Å; H368-D371 PolarHBondContact CE1-OD2 3.13Å; H368-D371 IonicContact CG-OD1 3.13Å; H368-D371 IonicContact ND1-OD1 3.79Å; H368-D371 PolarHBondContact ND1-OD1 2.81Å; H368-D371 IonicContact ND1-OD2 3.83Å; H368-D371 PolarHBondContact ND1-OD2 2.89Å; H368-G372 PolarHBondContact O-N 2.95Å; H368-A373 HydrophobicContact CB-CB 4.49Å; H368-A373 PolarHBondContact N-O 2.94Å; H368-I512 WeakPolarHBondContact O-CD1 3.15Å
369	S	89.6	Confident	95.5	Very high	6 Å²	6	18.2 Å²	18.2	4%	0.042	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.1	-167.8	69.2	0	0	0	0	116.5	E365 V367 H397 R554	E365-S369 PolarHBondContact OE2-N 3.17Å; V367-S369 PolarHBondContact O-N 3.11Å; S369-H397 WeakPolarHBondContact CB-NE2 3.03Å; S369-R554 PolarHBondContact O-NE 3.41Å; S369-R554 PolarHBondContact O-NH2 3.04Å
370	M	90.4	Very high	95.5	Very high	30 Å²	30	16.5 Å²	16.5	15%	0.148	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-48.9	-169.6	-66.9	-58	128.7	0	0	115.6	H368 P514 I541 T545 V546	H368-M370 VanDerWaalsContact C-N 3.29Å; H368-M370 PolarHBondContact O-N 2.82Å; H368-M370 VanDerWaalsContact O-N 3.14Å; M370-P514 WeakPolarHBondContact O-CG 3.09Å; M370-I541 HydrophobicContact SD-CG2 3.92Å; M370-T545 HydrophobicContact CE-CG2 3.85Å; M370-T545 HydrophobicContact CG-CG2 4.08Å; M370-T545 HydrophobicContact SD-CG2 3.56Å; M370-T545 VanDerWaalsContact SD-CG2 3.56Å; M370-V546 HydrophobicContact CB-CG1 3.99Å; M370-V546 HydrophobicContact CG-CG1 4.01Å
371	D	87.3	Confident	95.5	Very high	27 Å²	27	16.3 Å²	16.3	14%	0.144	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-7.8	-179.4	60.1	28.7	0	0	0	113.7	H341 H368 A373 C508 P514 F594	H341-D371 IonicContact CD2-OD2 3.12Å; H341-D371 IonicContact NE2-OD2 2.91Å; H368-D371 IonicContact CE1-OD1 2.75Å; H368-D371 IonicContact CE1-OD2 2.88Å; H368-D371 PolarHBondContact CE1-OD2 3.13Å; H368-D371 IonicContact CG-OD1 3.13Å; H368-D371 IonicContact ND1-OD1 3.79Å; H368-D371 PolarHBondContact ND1-OD1 2.81Å; H368-D371 IonicContact ND1-OD2 3.83Å; H368-D371 PolarHBondContact ND1-OD2 2.89Å; D371-A373 VanDerWaalsContact C-N 3.26Å; D371-A373 PolarHBondContact O-N 2.94Å; D371-A373 VanDerWaalsContact OD1-CB 3.25Å; D371-A373 WeakPolarHBondContact OD1-CB 3.3Å; D371-A373 PolarHBondContact OD1-N 2.88Å; D371-C508 WeakPolarHBondContact O-CB 3.38Å; D371-C508 PolarHBondContact O-SG 2.82Å; D371-P514 WeakPolarHBondContact O-CG 3.17Å; D371-F594 HydrophobicContact CB-CE2 3.98Å; D371-F594 HydrophobicContact CB-CZ 3.59Å; D371-F594 VanDerWaalsContact CG-CZ 3.46Å
372	G	88.2	Confident	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.			trans	71.2	13.2	178.1	0	0	0	0	0	115.1	H368 C508 S510	H368-G372 PolarHBondContact O-N 2.95Å; G372-C508 VanDerWaalsContact C-CB 3.49Å; G372-C508 WeakPolarHBondContact O-CB 3.32Å; G372-S510 VanDerWaalsContact C-OG 3.32Å; G372-S510 WeakPolarHBondContact CA-OG 3.41Å; G372-S510 WeakPolarHBondContact O-CB 3.25Å; G372-S510 PolarHBondContact O-N 3.42Å; G372-S510 PolarHBondContact O-OG 3.12Å
373	A	90.1	Very high	95.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	10%	0.102	C	C	.	.			trans	-58.2	155.6	171.5	0	0	0	0	0	111.5	V367 H368 D371 F594	V367-A373 WeakPolarHBondContact CA-O 3.22Å; H368-A373 HydrophobicContact CB-CB 4.49Å; H368-A373 PolarHBondContact N-O 2.94Å; D371-A373 VanDerWaalsContact C-N 3.26Å; D371-A373 PolarHBondContact O-N 2.94Å; D371-A373 VanDerWaalsContact OD1-CB 3.25Å; D371-A373 WeakPolarHBondContact OD1-CB 3.3Å; D371-A373 PolarHBondContact OD1-N 2.88Å; A373-F594 HydrophobicContact CB-CB 4.4Å; A373-F594 HydrophobicContact CB-CD1 4.16Å; A373-F594 HydrophobicContact CB-CD2 3.93Å; A373-F594 HydrophobicContact CB-CE1 4.45Å; A373-F594 HydrophobicContact CB-CE2 4.23Å; A373-F594 HydrophobicContact CB-CG 3.89Å; A373-F594 HydrophobicContact CB-CZ 4.49Å
374	V	94.5	Very high	95.5	Very high	22 Å²	22	19.9 Å²	19.9	13%	0.133	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-122.7	129.6	170	178	0	0	0	0	108	T366 V367 I409 P509	T366-V374 CarbonylContact O-C 3.38Å; T366-V374 WeakPolarHBondContact O-CA 3.35Å; V367-V374 HydrophobicContact CG2-CG2 4.11Å; V374-I409 HydrophobicContact CG1-CD1 4.05Å; V374-I409 HydrophobicContact CG1-CG1 4.25Å; V374-I409 HydrophobicContact CG1-CG2 4.28Å; V374-P509 HydrophobicContact CB-CG 3.91Å; V374-P509 HydrophobicContact CG2-CG 3.85Å
375	C	94.4	Very high	95.5	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.041	12%	0.118	C	C	.	.			trans	-69.2	153.1	-177.4	73.4	0	0	0	0	112.5	N342 F364 T366 L377	N342-C375 VanDerWaalsContact OD1-CA 3.24Å; N342-C375 WeakPolarHBondContact OD1-CA 3.17Å; N342-C375 WeakPolarHBondContact OD1-CB 3.42Å; F364-C375 HydrophobicContact CD2-CB 4.26Å; T366-C375 PolarHBondContact O-N 3.09Å; C375-L377 PolarHBondContact O-N 3.21Å
376	P	95.3	Very high	95.4	Very high	32 Å²	32	28.4 Å²	28.4	21%	0.208	14%	0.142	C	C	.	.			trans	-71.4	79.4	163.2	31.5	-33.5	0	0	0	109	L344 E379 M380	L344-P376 HydrophobicContact CD1-CB 4.13Å; L344-P376 HydrophobicContact CD1-CG 3.9Å; L344-P376 HydrophobicContact CD2-CG 4.18Å; L344-P376 HydrophobicContact CG-CG 3.96Å; P376-E379 WeakPolarHBondContact CA-OE2 3.14Å; P376-E379 HydrophobicContact CB-CB 4.42Å; P376-E379 WeakPolarHBondContact CB-OE2 3.49Å; P376-M380 HydrophobicContact CG-CE 4.25Å; P376-M380 WeakPolarHBondContact O-CB 3.39Å; P376-M380 PolarHBondContact O-N 3.44Å
377	L	97.1	Very high	95.4	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-45.6	-165.4	175.8	60.5	0	0	0	112.7	F364 T366 C375 C381 V393 I409 V415 M419	F364-L377 HydrophobicContact CE2-CD1 3.7Å; F364-L377 HydrophobicContact CZ-CD1 4.01Å; T366-L377 HydrophobicContact CG2-CD1 4.25Å; C375-L377 PolarHBondContact O-N 3.21Å; L377-C381 PolarHBondContact O-N 2.85Å; L377-C381 VanDerWaalsContact O-N 3.08Å; L377-C381 PolarHBondContact O-SG 3.04Å; L377-V393 HydrophobicContact CD1-CG1 3.98Å; L377-I409 HydrophobicContact CB-CG2 4.24Å; L377-I409 HydrophobicContact CD2-CB 4.17Å; L377-I409 HydrophobicContact CD2-CG2 3.77Å; L377-V415 HydrophobicContact CD2-CG2 3.75Å; L377-V415 HydrophobicContact CG-CG2 3.94Å; L377-M419 HydrophobicContact CD1-CG 4.25Å; L377-M419 HydrophobicContact CD2-SD 4.05Å
378	E	98.1	Very high	95.4	Very high	85 Å²	85	33.3 Å²	33.3	40%	0.397	18%	0.18	S	C	.	.	H	α-helix	trans	-64.3	-48.5	-177.3	177.4	154.2	-138.9	0	0	110.6	M380 C381 D382 V415 K418	E378-M380 VanDerWaalsContact C-N 3.35Å; E378-M380 PolarHBondContact O-N 3.43Å; E378-C381 PolarHBondContact O-N 3.17Å; E378-D382 WeakPolarHBondContact O-CB 3.46Å; E378-D382 PolarHBondContact O-N 2.72Å; E378-V415 HydrophobicContact CB-CG1 4.1Å; E378-V415 HydrophobicContact CG-CG1 4.08Å; E378-K418 HydrophobicContact CG-CD 4.34Å; E378-K418 IonicContact OE1-NZ 3.32Å; E378-K418 PolarHBondContact OE1-NZ 3.29Å
379	E	98.2	Very high	95.6	Very high	100 Å²	100	32.5 Å²	32.5	47%	0.467	18%	0.176	S	C	.	.	H	α-helix	trans	-67.6	-34.8	-178.7	-53.3	94.4	142.1	0	0	112.1	L344 P376 L383	L344-E379 HydrophobicContact CD1-CB 3.57Å; L344-E379 HydrophobicContact CD1-CG 4.32Å; L344-E379 HydrophobicContact CD2-CB 4.03Å; L344-E379 HydrophobicContact CG-CB 4.47Å; P376-E379 WeakPolarHBondContact CA-OE2 3.14Å; P376-E379 HydrophobicContact CB-CB 4.42Å; P376-E379 WeakPolarHBondContact CB-OE2 3.49Å; E379-L383 WeakPolarHBondContact O-CB 3.45Å; E379-L383 PolarHBondContact O-N 3.36Å
380	M	98.1	Very high	96	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.8	-39.6	176	-164.6	79	72.2	0	0	111.4	F339 L344 L347 F364 P376 E378 A384	F339-M380 HydrophobicContact CE2-CE 3.95Å; F339-M380 HydrophobicContact CE2-SD 3.86Å; F339-M380 HydrophobicContact CZ-CE 4.49Å; F339-M380 HydrophobicContact CZ-SD 4.02Å; L344-M380 HydrophobicContact CD2-CB 4.09Å; L344-M380 HydrophobicContact CD2-CE 4.2Å; L344-M380 HydrophobicContact CD2-SD 3.89Å; L347-M380 HydrophobicContact CD2-CG 4.32Å; L347-M380 HydrophobicContact CD2-SD 3.38Å; L347-M380 WeakPolarHBondContact CD2-SD 3.27Å; F364-M380 HydrophobicContact CD1-CG 3.76Å; F364-M380 HydrophobicContact CD2-CG 4.11Å; F364-M380 HydrophobicContact CE1-CB 4.27Å; F364-M380 HydrophobicContact CE1-CG 3.44Å; F364-M380 VanDerWaalsContact CE1-CG 3.44Å; F364-M380 HydrophobicContact CE2-CB 4.1Å; F364-M380 HydrophobicContact CE2-CG 3.82Å; F364-M380 HydrophobicContact CG-CG 4.08Å; F364-M380 HydrophobicContact CZ-CB 3.83Å; F364-M380 HydrophobicContact CZ-CG 3.47Å; F364-M380 VanDerWaalsContact CZ-CG 3.47Å; P376-M380 HydrophobicContact CG-CE 4.25Å; P376-M380 WeakPolarHBondContact O-CB 3.39Å; P376-M380 PolarHBondContact O-N 3.44Å; E378-M380 VanDerWaalsContact C-N 3.35Å; E378-M380 PolarHBondContact O-N 3.43Å; M380-A384 WeakPolarHBondContact O-CB 3.2Å; M380-A384 PolarHBondContact O-N 3.45Å; M380-A384 VanDerWaalsContact O-N 3.09Å
381	C	98.8	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.8	-47	175.3	-68.2	0	0	0	0	111.9	L377 E378 L383 A384 H385 T391 K418	L377-C381 PolarHBondContact O-N 2.85Å; L377-C381 VanDerWaalsContact O-N 3.08Å; L377-C381 PolarHBondContact O-SG 3.04Å; E378-C381 PolarHBondContact O-N 3.17Å; C381-L383 VanDerWaalsContact C-N 3.31Å; C381-L383 PolarHBondContact O-N 2.92Å; C381-A384 WeakPolarHBondContact O-CB 3.35Å; C381-A384 PolarHBondContact O-N 3.06Å; C381-A384 VanDerWaalsContact O-N 3.1Å; C381-H385 PolarHBondContact O-N 3.01Å; C381-T391 HydrophobicContact CB-CG2 4.26Å; C381-K418 HydrophobicContact CB-CB 3.77Å; C381-K418 HydrophobicContact CB-CD 4.48Å
382	D	98.7	Very high	97	Very high	68 Å²	68	32 Å²	32	36%	0.364	17%	0.173	S	C	.	.	H	α-helix	trans	-60.1	-42.3	179	-74.5	-16.8	0	0	0	111.4	E378 H385 E386 K418	E378-D382 WeakPolarHBondContact O-CB 3.46Å; E378-D382 PolarHBondContact O-N 2.72Å; D382-H385 PolarHBondContact O-N 2.97Å; D382-E386 WeakPolarHBondContact O-CB 3.32Å; D382-E386 PolarHBondContact O-N 3.22Å; D382-K418 VanDerWaalsContact OD1-CD 3.31Å; D382-K418 WeakPolarHBondContact OD1-CD 3.47Å; D382-K418 WeakPolarHBondContact OD1-CE 3.13Å; D382-K418 IonicContact OD1-NZ 2.8Å; D382-K418 PolarHBondContact OD1-NZ 3.08Å; D382-K418 IonicContact OD2-NZ 3.32Å; D382-K418 PolarHBondContact OD2-NZ 3.46Å
383	L	98.6	Very high	97.5	Very high	8 Å²	8	32 Å²	32	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-37.8	174.2	177	58.9	0	0	0	112.7	L344 L347 R348 L351 E379 C381 F387	L344-L383 HydrophobicContact CB-CD2 4.31Å; L344-L383 HydrophobicContact CD2-CD2 4.17Å; L344-L383 VanDerWaalsContact O-CD2 3.25Å; L344-L383 WeakPolarHBondContact O-CD2 3.46Å; L347-L383 HydrophobicContact CB-CD2 4.02Å; L347-L383 HydrophobicContact CD2-CD2 3.89Å; L347-L383 HydrophobicContact CD2-CG 4.32Å; L347-L383 HydrophobicContact CG-CD2 3.86Å; L347-L383 HydrophobicContact CG-CG 4.38Å; R348-L383 HydrophobicContact CB-CD1 3.89Å; R348-L383 HydrophobicContact CB-CD2 4.09Å; R348-L383 HydrophobicContact CG-CD1 4.21Å; L351-L383 HydrophobicContact CD1-CD1 4.28Å; L351-L383 HydrophobicContact CD1-CG 4.02Å; E379-L383 WeakPolarHBondContact O-CB 3.45Å; E379-L383 PolarHBondContact O-N 3.36Å; C381-L383 VanDerWaalsContact C-N 3.31Å; C381-L383 PolarHBondContact O-N 2.92Å; L383-F387 HydrophobicContact CD1-CD2 3.94Å; L383-F387 HydrophobicContact CD1-CE2 3.7Å; L383-F387 WeakPolarHBondContact O-CD2 3.48Å
384	A	98.6	Very high	97.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.7	-45.7	174.3	0	0	0	0	0	111.3	V362 M380 C381 F387 G388 A389 T391	V362-A384 HydrophobicContact CB-CB 3.93Å; V362-A384 HydrophobicContact CG1-CB 4.49Å; V362-A384 HydrophobicContact CG2-CB 3.6Å; M380-A384 WeakPolarHBondContact O-CB 3.2Å; M380-A384 PolarHBondContact O-N 3.45Å; M380-A384 VanDerWaalsContact O-N 3.09Å; C381-A384 WeakPolarHBondContact O-CB 3.35Å; C381-A384 PolarHBondContact O-N 3.06Å; C381-A384 VanDerWaalsContact O-N 3.1Å; A384-F387 PolarHBondContact O-N 2.93Å; A384-G388 PolarHBondContact O-N 2.94Å; A384-A389 HydrophobicContact CB-CB 4.29Å; A384-A389 WeakPolarHBondContact O-CB 3.23Å; A384-A389 PolarHBondContact O-N 2.89Å; A384-T391 HydrophobicContact CB-CG2 3.57Å
385	H	98.6	Very high	98.1	Very high	72 Å²	72	31.2 Å²	31.2	33%	0.333	17%	0.168	S	C	.	.	H	α-helix	trans	-68.3	-36.8	-179.1	-67.3	166.4	0	0	0	112.9	C381 D382 F387 G388 A389 K418 D420	C381-H385 PolarHBondContact O-N 3.01Å; D382-H385 PolarHBondContact O-N 2.97Å; H385-F387 PolarHBondContact O-N 2.86Å; H385-G388 PolarHBondContact O-N 3.46Å; H385-A389 PolarHBondContact CD2-O 3.48Å; H385-K418 PolarHBondContact CE1-O 3.3Å; H385-D420 IonicContact CD2-OD2 2.71Å; H385-D420 IonicContact CE1-OD2 3.46Å; H385-D420 IonicContact NE2-OD1 3.59Å; H385-D420 IonicContact NE2-OD2 1.75Å; H385-D420 PolarHBondContact NE2-OD2 3.39Å
386	E	98.1	Very high	98.3	Very high	117 Å²	117	31.5 Å²	31.5	55%	0.547	17%	0.17	S	C	.	.	H	α-helix	trans	-52.7	-37.7	174.1	-174.8	-174.1	152.7	0	0	112.3	R348 D382	R348-E386 IonicContact CZ-OE1 3.57Å; R348-E386 IonicContact CZ-OE2 3.63Å; R348-E386 IonicContact NH1-OE1 2.7Å; R348-E386 PolarHBondContact NH1-OE1 3.26Å; R348-E386 IonicContact NH1-OE2 3.85Å; R348-E386 PolarHBondContact NH1-OE2 3.31Å; R348-E386 IonicContact NH2-OE1 2.83Å; R348-E386 PolarHBondContact NH2-OE1 2.73Å; R348-E386 IonicContact NH2-OE2 3.91Å; R348-E386 PolarHBondContact NH2-OE2 3.49Å; D382-E386 WeakPolarHBondContact O-CB 3.32Å; D382-E386 PolarHBondContact O-N 3.22Å
387	F	98.2	Very high	98.5	Very high	45 Å²	45	30.3 Å²	30.3	20%	0.197	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	13.2	-179.5	-70.6	-93.6	0	0	0	114.1	R348 L351 E352 K360 L383 A384 H385 A389	R348-F387 HydrophobicContact CG-CE2 4.49Å; R348-F387 HydrophobicContact CG-CZ 4.47Å; L351-F387 HydrophobicContact CB-CB 4.01Å; L351-F387 HydrophobicContact CB-CD1 3.85Å; L351-F387 HydrophobicContact CB-CD2 3.98Å; L351-F387 HydrophobicContact CB-CE1 4.33Å; L351-F387 HydrophobicContact CB-CE2 4.45Å; L351-F387 HydrophobicContact CB-CG 3.66Å; L351-F387 HydrophobicContact CD1-CB 4.2Å; L351-F387 HydrophobicContact CD1-CD2 4.02Å; L351-F387 HydrophobicContact CD1-CG 4.23Å; L351-F387 HydrophobicContact CD2-CB 4.11Å; L351-F387 HydrophobicContact CG-CB 4.34Å; L351-F387 HydrophobicContact CG-CG 4.41Å; E352-F387 HydrophobicContact CB-CE1 4.3Å; E352-F387 HydrophobicContact CG-CE1 3.58Å; E352-F387 HydrophobicContact CG-CZ 3.53Å; K360-F387 PolarHBondContact NZ-O 2.96Å; L383-F387 HydrophobicContact CD1-CD2 3.94Å; L383-F387 HydrophobicContact CD1-CE2 3.7Å; L383-F387 WeakPolarHBondContact O-CD2 3.48Å; A384-F387 PolarHBondContact O-N 2.93Å; H385-F387 PolarHBondContact O-N 2.86Å; F387-A389 VanDerWaalsContact C-N 3.32Å; F387-A389 PolarHBondContact O-N 2.99Å
388	G	97.8	Very high	98.6	Very high	58 Å²	58	30.2 Å²	30.2	60%	0.598	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	27.6	177.8	0	0	0	0	0	114.2	A384 H385	A384-G388 PolarHBondContact O-N 2.94Å; H385-G388 PolarHBondContact O-N 3.46Å
389	A	98.6	Very high	98.6	Very high	3 Å²	3	26.2 Å²	26.2	3%	0.025	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	147.9	172.4	0	0	0	0	0	111.2	K360 V362 A384 H385 F387	K360-A389 HydrophobicContact CB-CB 3.51Å; K360-A389 HydrophobicContact CD-CB 4.48Å; K360-A389 WeakPolarHBondContact O-CA 3.35Å; V362-A389 HydrophobicContact CG2-CB 3.76Å; A384-A389 HydrophobicContact CB-CB 4.29Å; A384-A389 WeakPolarHBondContact O-CB 3.23Å; A384-A389 PolarHBondContact O-N 2.89Å; H385-A389 PolarHBondContact CD2-O 3.48Å; F387-A389 VanDerWaalsContact C-N 3.32Å; F387-A389 PolarHBondContact O-N 2.99Å
390	I	98.8	Very high	98.6	Very high	52 Å²	52	21.4 Å²	21.4	27%	0.267	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	152.8	165.9	63.1	173.7	0	0	0	110.4	K360 I361 V362 D420 I421 L443	K360-I390 PolarHBondContact O-N 3.03Å; I361-I390 CarbonylContact C-O 3.48Å; I361-I390 VanDerWaalsContact CA-O 3.31Å; I361-I390 WeakPolarHBondContact CA-O 3.24Å; I361-I390 HydrophobicContact CB-CG1 4.42Å; I361-I390 HydrophobicContact CD1-CD1 4.48Å; I361-I390 HydrophobicContact CG1-CD1 4.18Å; I361-I390 HydrophobicContact CG1-CG1 3.92Å; I361-I390 HydrophobicContact CG2-CG1 4.4Å; V362-I390 PolarHBondContact N-O 2.89Å; I390-D420 WeakPolarHBondContact CA-OD2 3.46Å; I390-D420 HydrophobicContact CB-CB 4.08Å; I390-I421 HydrophobicContact CD1-CD1 4.05Å; I390-L443 HydrophobicContact CD1-CD1 4.47Å
391	T	98.9	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	130.7	-180	55	0	0	0	0	111.9	V362 F364 C381 A384 K418 D420 I421	V362-T391 WeakPolarHBondContact O-CA 3.34Å; F364-T391 HydrophobicContact CE1-CG2 4.39Å; C381-T391 HydrophobicContact CB-CG2 4.26Å; A384-T391 HydrophobicContact CB-CG2 3.57Å; T391-K418 PolarHBondContact OG1-O 3.43Å; T391-D420 PolarHBondContact N-OD2 3.32Å; T391-D420 PolarHBondContact OG1-N 3.47Å; T391-D420 PolarHBondContact OG1-OD2 3.13Å; T391-I421 PolarHBondContact O-N 2.97Å
392	F	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	106.8	166	-175.5	-79.5	0	0	0	108.1	N299 T302 L303 M325 I361 V362 A363 F364 I421	N299-F392 HydrophobicContact CB-CE1 4.47Å; N299-F392 HydrophobicContact CB-CZ 4.23Å; T302-F392 HydrophobicContact CG2-CD2 4.36Å; T302-F392 HydrophobicContact CG2-CE2 3.81Å; L303-F392 HydrophobicContact CD1-CD1 3.96Å; L303-F392 HydrophobicContact CD1-CE1 3.84Å; L303-F392 HydrophobicContact CD1-CE2 4.49Å; L303-F392 HydrophobicContact CD1-CG 4.38Å; L303-F392 HydrophobicContact CD1-CZ 4.12Å; L303-F392 HydrophobicContact CD2-CB 4.06Å; L303-F392 HydrophobicContact CD2-CD1 4.1Å; L303-F392 HydrophobicContact CD2-CD2 3.89Å; L303-F392 HydrophobicContact CD2-CE2 4.43Å; L303-F392 HydrophobicContact CD2-CG 3.72Å; L303-F392 HydrophobicContact CG-CD1 4.18Å; L303-F392 HydrophobicContact CG-CD2 3.99Å; L303-F392 HydrophobicContact CG-CE1 4.22Å; L303-F392 HydrophobicContact CG-CE2 4.01Å; L303-F392 HydrophobicContact CG-CG 4.09Å; L303-F392 HydrophobicContact CG-CZ 4.15Å; M325-F392 HydrophobicContact CG-CE1 4.14Å; M325-F392 HydrophobicContact SD-CD1 3.93Å; M325-F392 HydrophobicContact SD-CE1 3.77Å; I361-F392 HydrophobicContact CG2-CB 3.77Å; V362-F392 PolarHBondContact O-N 2.72Å; A363-F392 VanDerWaalsContact CA-O 3.32Å; A363-F392 WeakPolarHBondContact CA-O 3.43Å; A363-F392 HydrophobicContact CB-CB 4.17Å; A363-F392 HydrophobicContact CB-CD1 4.44Å; F364-F392 PolarHBondContact N-O 3.06Å; F364-F392 VanDerWaalsContact N-O 3.13Å; F392-I421 HydrophobicContact CD2-CB 4.04Å; F392-I421 HydrophobicContact CD2-CD1 4.02Å; F392-I421 HydrophobicContact CD2-CG2 3.74Å; F392-I421 HydrophobicContact CE2-CG2 3.87Å
393	V	98.9	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	116.2	-167.7	-172.2	0	0	0	0	110	F364 T366 L377 E395 M419 I421 I422 S423	F364-V393 HydrophobicContact CD2-CG1 4.47Å; F364-V393 HydrophobicContact CE1-CG2 3.95Å; F364-V393 HydrophobicContact CE2-CG1 3.98Å; F364-V393 HydrophobicContact CE2-CG2 4.16Å; F364-V393 HydrophobicContact CZ-CG1 4.3Å; F364-V393 HydrophobicContact CZ-CG2 3.64Å; T366-V393 HydrophobicContact CG2-CG1 3.28Å; L377-V393 HydrophobicContact CD1-CG1 3.98Å; V393-E395 PolarHBondContact O-N 3.12Å; V393-M419 HydrophobicContact CB-CE 3.88Å; V393-M419 HydrophobicContact CG1-CE 3.48Å; V393-M419 VanDerWaalsContact CG1-CE 3.48Å; V393-M419 HydrophobicContact CG2-CB 4.23Å; V393-M419 HydrophobicContact CG2-CG 4.21Å; V393-I421 PolarHBondContact N-O 2.87Å; V393-I422 WeakPolarHBondContact O-CA 3.47Å; V393-S423 PolarHBondContact O-N 2.98Å
394	D	98.9	Very high	98.4	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.032	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	104	-179.4	-167	-11.7	0	0	0	111.7	N299 M325 F364 E365 T366 V396 S423	N299-D394 PolarHBondContact ND2-OD2 3.4Å; M325-D394 HydrophobicContact CE-CB 3.84Å; M325-D394 HydrophobicContact SD-CB 4.05Å; F364-D394 PolarHBondContact O-N 2.99Å; E365-D394 WeakPolarHBondContact CA-O 3.4Å; E365-D394 HydrophobicContact CG-CB 4.13Å; T366-D394 PolarHBondContact N-O 3.16Å; D394-V396 WeakPolarHBondContact OD1-CB 3.43Å; D394-V396 WeakPolarHBondContact OD1-CG2 3.31Å; D394-V396 PolarHBondContact OD1-N 3.49Å; D394-S423 WeakPolarHBondContact CA-OG 3.47Å; D394-S423 WeakPolarHBondContact CB-OG 3.3Å; D394-S423 VanDerWaalsContact CG-OG 3.31Å; D394-S423 PolarHBondContact OD1-OG 2.98Å
395	E	98.8	Very high	98.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.151	C	C	.	.			trans	-94.6	15.1	177.5	-68.5	-95	-135.4	0	0	112.1	T366 V393 H397 A398 V399 G408 I409 G410 M419 I422 S423	T366-E395 VanDerWaalsContact CB-OE2 3.31Å; T366-E395 WeakPolarHBondContact CB-OE2 3.48Å; T366-E395 VanDerWaalsContact CG2-CD 3.47Å; T366-E395 HydrophobicContact CG2-CG 3.82Å; T366-E395 VanDerWaalsContact CG2-OE2 3.31Å; T366-E395 WeakPolarHBondContact CG2-OE2 3.45Å; T366-E395 PolarHBondContact OG1-OE2 2.92Å; V393-E395 PolarHBondContact O-N 3.12Å; E395-H397 PolarHBondContact O-N 3.3Å; E395-A398 HydrophobicContact CB-CB 4.36Å; E395-A398 WeakPolarHBondContact O-CA 3.43Å; E395-A398 PolarHBondContact O-N 3.07Å; E395-A398 WeakPolarHBondContact OE2-CB 2.91Å; E395-V399 HydrophobicContact CB-CG1 3.82Å; E395-V399 WeakPolarHBondContact O-CG1 3.33Å; E395-V399 PolarHBondContact O-N 3.49Å; E395-G408 WeakPolarHBondContact OE1-CA 3.45Å; E395-I409 VanDerWaalsContact CD-N 3.3Å; E395-I409 PolarHBondContact OE1-N 3.1Å; E395-I409 PolarHBondContact OE2-N 3.12Å; E395-G410 PolarHBondContact OE1-N 2.68Å; E395-M419 HydrophobicContact CG-CE 3.47Å; E395-M419 VanDerWaalsContact CG-CE 3.47Å; E395-M419 WeakPolarHBondContact OE1-CE 3.3Å; E395-I422 HydrophobicContact CB-CG2 4.12Å; E395-I422 HydrophobicContact CG-CG2 3.84Å; E395-S423 PolarHBondContact N-O 3.12Å
396	V	98.8	Very high	98.3	Very high	12 Å²	12	23 Å²	23	7%	0.073	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-31.8	-176.2	154.7	0	0	0	0	114.6	C295 D394 T425 K428	C295-V396 HydrophobicContact CB-CG2 3.64Å; C295-V396 WeakPolarHBondContact SG-CG2 3.46Å; D394-V396 WeakPolarHBondContact OD1-CB 3.43Å; D394-V396 WeakPolarHBondContact OD1-CG2 3.31Å; D394-V396 PolarHBondContact OD1-N 3.49Å; V396-T425 HydrophobicContact CB-CG2 4.34Å; V396-T425 HydrophobicContact CG1-CG2 3.85Å; V396-T425 HydrophobicContact CG2-CG2 4.25Å; V396-K428 HydrophobicContact CG1-CD 3.89Å
397	H	98.7	Very high	98.3	Very high	7 Å²	7	17.4 Å²	17.4	3%	0.032	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.8	176.9	-81.3	-93.7	0	0	0	113.6	Y236 V367 S369 E395 K428 H511 R554	Y236-H397 AromaticContact CZ-ND1 3.99Å; Y236-H397 PolarHBondContact OH-CE1 3.37Å; Y236-H397 PolarHBondContact OH-ND1 3.48Å; V367-H397 HydrophobicContact CB-CB 3.78Å; V367-H397 HydrophobicContact CG1-CB 3.8Å; V367-H397 VanDerWaalsContact O-CB 3.3Å; V367-H397 WeakPolarHBondContact O-CB 3.46Å; S369-H397 WeakPolarHBondContact CB-NE2 3.03Å; E395-H397 PolarHBondContact O-N 3.3Å; H397-K428 PolarHBondContact CD2-NZ 3.16Å; H397-K428 PolarHBondContact NE2-NZ 3.06Å; H397-H511 PolarHBondContact O-CE1 3.4Å; H397-R554 PolarHBondContact CE1-NH2 3.19Å; H397-R554 PolarHBondContact ND1-NH2 3.14Å
398	A	98.8	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-33.6	-176	0	0	0	0	0	114	V367 E395 G400 L401 Y402 I409	V367-A398 HydrophobicContact CB-CB 4.49Å; V367-A398 HydrophobicContact CG2-CB 3.82Å; E395-A398 HydrophobicContact CB-CB 4.36Å; E395-A398 WeakPolarHBondContact O-CA 3.43Å; E395-A398 PolarHBondContact O-N 3.07Å; E395-A398 WeakPolarHBondContact OE2-CB 2.91Å; A398-G400 PolarHBondContact O-N 3.33Å; A398-L401 WeakPolarHBondContact O-CA 3.01Å; A398-L401 WeakPolarHBondContact O-CB 3.42Å; A398-L401 PolarHBondContact O-N 3.1Å; A398-Y402 HydrophobicContact CB-CD2 3.87Å; A398-Y402 HydrophobicContact CB-CE2 4.45Å; A398-Y402 PolarHBondContact O-N 3.1Å; A398-I409 HydrophobicContact CB-CG1 3.95Å
399	V	98.8	Very high	98.4	Very high	1 Å²	1	12.5 Å²	12.5	1%	0.006	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	133.2	177.5	-66.6	0	0	0	0	111.2	E395 L401 G407 A429 F430 Y436	E395-V399 HydrophobicContact CB-CG1 3.82Å; E395-V399 WeakPolarHBondContact O-CG1 3.33Å; E395-V399 PolarHBondContact O-N 3.49Å; V399-L401 PolarHBondContact O-N 3.19Å; V399-G407 WeakPolarHBondContact CG1-O 3.15Å; V399-A429 WeakPolarHBondContact O-CB 3.44Å; V399-F430 HydrophobicContact CB-CE2 3.77Å; V399-F430 HydrophobicContact CB-CZ 4.05Å; V399-F430 HydrophobicContact CG2-CD2 4.4Å; V399-F430 HydrophobicContact CG2-CE2 3.75Å; V399-F430 HydrophobicContact CG2-CZ 4.47Å; V399-Y436 VanDerWaalsContact CG1-OH 3.32Å; V399-Y436 WeakPolarHBondContact CG1-OH 3.44Å
400	G	98.6	Very high	98.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-21	-171.3	0	0	0	0	0	115.5	A398 G406 R484	A398-G400 PolarHBondContact O-N 3.33Å; G400-G406 WeakPolarHBondContact CA-O 3.15Å; G400-G406 PolarHBondContact N-O 3.2Å; G400-R484 WeakPolarHBondContact O-CD 3.36Å; G400-R484 WeakPolarHBondContact O-CG 3.47Å; G400-R484 PolarHBondContact O-NH1 3.02Å
401	L	98.8	Very high	98.3	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.01	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-23.9	-168.1	-56	-177	0	0	0	115.5	Y236 L237 A398 V399 A429 R484 H511	Y236-L401 HydrophobicContact CD2-CD1 3.62Å; Y236-L401 HydrophobicContact CD2-CD2 4.43Å; Y236-L401 HydrophobicContact CD2-CG 4.46Å; Y236-L401 HydrophobicContact CE2-CD1 4.09Å; Y236-L401 HydrophobicContact CG-CD1 4.07Å; L237-L401 HydrophobicContact CD1-CD2 3.88Å; L237-L401 HydrophobicContact CD2-CD2 3.82Å; L237-L401 HydrophobicContact CG-CD2 3.66Å; A398-L401 WeakPolarHBondContact O-CA 3.01Å; A398-L401 WeakPolarHBondContact O-CB 3.42Å; A398-L401 PolarHBondContact O-N 3.1Å; V399-L401 PolarHBondContact O-N 3.19Å; L401-A429 HydrophobicContact CD2-CB 3.61Å; L401-A429 HydrophobicContact CG-CB 3.83Å; L401-R484 WeakPolarHBondContact O-CD 3.4Å; L401-R484 WeakPolarHBondContact O-CG 3.26Å; L401-H511 VanDerWaalsContact CD1-CE1 3.43Å; L401-H511 WeakPolarHBondContact CD1-CE1 3.11Å
402	Y	98.5	Very high	98.2	Very high	17 Å²	17	16.6 Å²	16.6	7%	0.067	9%	0.085	C	C	.	.	S	Bend	trans	-129.9	153.9	-178.6	-59.1	-88.9	0	0	0	111.1	V367 A398 G406 G407 G408 I409 S510 H511	V367-Y402 HydrophobicContact CG2-CD2 4.3Å; V367-Y402 HydrophobicContact CG2-CE2 3.78Å; A398-Y402 HydrophobicContact CB-CD2 3.87Å; A398-Y402 HydrophobicContact CB-CE2 4.45Å; A398-Y402 PolarHBondContact O-N 3.1Å; Y402-G406 CarbonylContact O-C 3.54Å; Y402-G406 WeakPolarHBondContact O-CA 3.15Å; Y402-G407 PolarHBondContact O-N 3.29Å; Y402-G408 CarbonylContact C-O 3.55Å; Y402-G408 VanDerWaalsContact C-O 3.25Å; Y402-G408 WeakPolarHBondContact CB-O 3.09Å; Y402-G408 PolarHBondContact O-N 2.84Å; Y402-I409 HydrophobicContact CD1-CD1 3.79Å; Y402-I409 HydrophobicContact CD2-CD1 3.85Å; Y402-I409 HydrophobicContact CE1-CD1 4.26Å; Y402-I409 HydrophobicContact CE2-CD1 4.33Å; Y402-I409 HydrophobicContact CG-CD1 3.57Å; Y402-S510 WeakPolarHBondContact OH-CA 3.4Å; Y402-H511 AromaticContact CE2-ND1 3.75Å; Y402-H511 AromaticContact CZ-ND1 3.83Å; Y402-H511 PolarHBondContact OH-N 3.13Å; Y402-H511 PolarHBondContact OH-ND1 3.46Å
403	G	97.2	Very high	98.1	Very high	16 Å²	16	19.6 Å²	19.6	17%	0.165	10%	0.101	C	C	.	.	S	Bend	trans	82.7	168.6	-176.8	0	0	0	0	0	115.2	D411 R484	G403-D411 VanDerWaalsContact CA-C 3.5Å; G403-D411 VanDerWaalsContact CA-CG 3.46Å; G403-D411 WeakPolarHBondContact CA-OD2 3.28Å; G403-R484 PolarHBondContact O-NE 3.14Å
404	A	95.1	Very high	98	Very high	61 Å²	61	22.1 Å²	22.1	50%	0.504	13%	0.127	S	C	.	.	S	Bend	trans	-69.4	-35.5	-173.7	0	0	0	0	0	112.1	D411 R481 R484	A404-D411 PolarHBondContact N-OD1 3.44Å; A404-D411 PolarHBondContact N-OD2 3.08Å; A404-D411 VanDerWaalsContact N-OD2 3.12Å; A404-R481 WeakPolarHBondContact O-CG 3Å; A404-R484 PolarHBondContact O-NH2 3.34Å
405	R	97.6	Very high	98	Very high	84 Å²	84	22 Å²	22	32%	0.317	13%	0.127	S	C	.	.	S	Bend	trans	-99	-8	178.5	-71.5	163.3	60.8	93	-9.7	112.7	D282 L283 D411 K476	D282-R405 PolarHBondContact O-NH2 3.36Å; D282-R405 IonicContact OD1-NH2 2.71Å; D282-R405 PolarHBondContact OD1-NH2 3.29Å; D282-R405 VanDerWaalsContact OD1-NH2 3.13Å; D282-R405 IonicContact OD2-CZ 3.73Å; D282-R405 IonicContact OD2-NH2 3.96Å; D282-R405 PolarHBondContact OD2-NH2 3.25Å; L283-R405 HydrophobicContact CD1-CB 4.42Å; R405-D411 WeakPolarHBondContact CA-OD2 3.03Å; R405-D411 PolarHBondContact N-OD2 3.4Å; R405-K476 HydrophobicContact CB-CG 4.38Å; R405-K476 VanDerWaalsContact O-CA 3.31Å; R405-K476 WeakPolarHBondContact O-CA 3.12Å; R405-K476 WeakPolarHBondContact O-CG 3.46Å
406	G	98.3	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	80.7	26.2	-172.7	0	0	0	0	0	112.2	G400 Y402 G408 D411	G400-G406 WeakPolarHBondContact CA-O 3.15Å; G400-G406 PolarHBondContact N-O 3.2Å; Y402-G406 CarbonylContact O-C 3.54Å; Y402-G406 WeakPolarHBondContact O-CA 3.15Å; G406-G408 VanDerWaalsContact C-N 3.33Å; G406-D411 PolarHBondContact N-OD2 3.06Å
407	G	97.8	Very high	97.8	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	16%	0.158	C	C	.	.			trans	-70.2	-27.5	178.1	0	0	0	0	0	113.2	H284 V399 Y402 D411	H284-G407 PolarHBondContact CE1-O 3.29Å; V399-G407 WeakPolarHBondContact CG1-O 3.15Å; Y402-G407 PolarHBondContact O-N 3.29Å; G407-D411 PolarHBondContact N-OD2 3.37Å
408	G	98.5	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.			trans	132.4	-159.9	-176.2	0	0	0	0	0	112.3	E395 Y402 G406 G410 D411 R412	E395-G408 WeakPolarHBondContact OE1-CA 3.45Å; Y402-G408 CarbonylContact C-O 3.55Å; Y402-G408 VanDerWaalsContact C-O 3.25Å; Y402-G408 WeakPolarHBondContact CB-O 3.09Å; Y402-G408 PolarHBondContact O-N 2.84Å; G406-G408 VanDerWaalsContact C-N 3.33Å; G408-G410 VanDerWaalsContact C-N 3.32Å; G408-D411 PolarHBondContact O-N 3Å; G408-R412 PolarHBondContact O-N 3.02Å; G408-R412 VanDerWaalsContact O-N 3.14Å
409	I	98.4	Very high	97.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-35.4	174.5	-61.2	-60.1	0	0	0	110.4	T366 V367 V374 L377 E395 A398 Y402 D411 R412 D413	T366-I409 HydrophobicContact CG2-CB 4.28Å; V367-I409 HydrophobicContact CG2-CD1 3.88Å; V367-I409 HydrophobicContact CG2-CG1 3.85Å; V374-I409 HydrophobicContact CG1-CD1 4.05Å; V374-I409 HydrophobicContact CG1-CG1 4.25Å; V374-I409 HydrophobicContact CG1-CG2 4.28Å; L377-I409 HydrophobicContact CB-CG2 4.24Å; L377-I409 HydrophobicContact CD2-CB 4.17Å; L377-I409 HydrophobicContact CD2-CG2 3.77Å; E395-I409 VanDerWaalsContact CD-N 3.3Å; E395-I409 PolarHBondContact OE1-N 3.1Å; E395-I409 PolarHBondContact OE2-N 3.12Å; A398-I409 HydrophobicContact CB-CG1 3.95Å; Y402-I409 HydrophobicContact CD1-CD1 3.79Å; Y402-I409 HydrophobicContact CD2-CD1 3.85Å; Y402-I409 HydrophobicContact CE1-CD1 4.26Å; Y402-I409 HydrophobicContact CE2-CD1 4.33Å; Y402-I409 HydrophobicContact CG-CD1 3.57Å; I409-D411 VanDerWaalsContact C-N 3.3Å; I409-D411 PolarHBondContact O-N 3.33Å; I409-R412 WeakPolarHBondContact O-CB 3.4Å; I409-R412 PolarHBondContact O-N 3.36Å; I409-D413 WeakPolarHBondContact CG2-OD2 3.32Å; I409-D413 PolarHBondContact O-N 3.21Å
410	G	97.5	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.2	-37.5	173.1	0	0	0	0	0	113.9	E395 G408 G414 V415 M416	E395-G410 PolarHBondContact OE1-N 2.68Å; G408-G410 VanDerWaalsContact C-N 3.32Å; G410-G414 CarbonylContact O-C 3.59Å; G410-G414 PolarHBondContact O-N 2.88Å; G410-V415 PolarHBondContact O-N 2.9Å; G410-V415 VanDerWaalsContact O-N 3.14Å; G410-M416 WeakPolarHBondContact O-CG 3.13Å; G410-M416 PolarHBondContact O-N 3.1Å
411	D	97.8	Very high	97.8	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.134	18%	0.175	C	C	.	.	H	α-helix	trans	-75.4	-26.2	175.6	175.2	33.7	0	0	0	111.7	G403 A404 R405 G406 G407 G408 I409 M416	G403-D411 VanDerWaalsContact CA-C 3.5Å; G403-D411 VanDerWaalsContact CA-CG 3.46Å; G403-D411 WeakPolarHBondContact CA-OD2 3.28Å; A404-D411 PolarHBondContact N-OD1 3.44Å; A404-D411 PolarHBondContact N-OD2 3.08Å; A404-D411 VanDerWaalsContact N-OD2 3.12Å; R405-D411 WeakPolarHBondContact CA-OD2 3.03Å; R405-D411 PolarHBondContact N-OD2 3.4Å; G406-D411 PolarHBondContact N-OD2 3.06Å; G407-D411 PolarHBondContact N-OD2 3.37Å; G408-D411 PolarHBondContact O-N 3Å; I409-D411 VanDerWaalsContact C-N 3.3Å; I409-D411 PolarHBondContact O-N 3.33Å; D411-M416 HydrophobicContact CB-CE 4.12Å; D411-M416 HydrophobicContact CB-CG 4.36Å; D411-M416 HydrophobicContact CB-SD 3.79Å
412	R	97.8	Very high	97.9	Very high	115 Å²	115	32.1 Å²	32.1	43%	0.434	17%	0.174	S	C	.	.	H	α-helix	trans	-70.2	-43.8	171.6	-173	-166.4	68.4	174.5	-0.1	111.3	G408 I409	G408-R412 PolarHBondContact O-N 3.02Å; G408-R412 VanDerWaalsContact O-N 3.14Å; I409-R412 WeakPolarHBondContact O-CB 3.4Å; I409-R412 PolarHBondContact O-N 3.36Å
413	D	96.6	Very high	97.9	Very high	63 Å²	63	31.3 Å²	31.3	34%	0.337	17%	0.171	S	C	.	.	H	α-helix	trans	-96.5	-6.7	-168.8	-61.6	-15.1	0	0	0	112.9	I409 V415	I409-D413 WeakPolarHBondContact CG2-OD2 3.32Å; I409-D413 PolarHBondContact O-N 3.21Å; D413-V415 HydrophobicContact CB-CG2 4Å; D413-V415 PolarHBondContact O-N 3.36Å
414	G	97.1	Very high	98	Very high	53 Å²	53	30.5 Å²	30.5	55%	0.546	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	1.4	-179.4	0	0	0	0	0	114.7	G410 H417	G410-G414 CarbonylContact O-C 3.59Å; G410-G414 PolarHBondContact O-N 2.88Å; G414-H417 PolarHBondContact O-ND1 3.38Å
415	V	97.8	Very high	98.1	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.024	14%	0.143	C	C	.	.			trans	-98	17	-172.5	-59.1	0	0	0	0	114.5	L377 E378 G410 D413 H417 K418	L377-V415 HydrophobicContact CD2-CG2 3.75Å; L377-V415 HydrophobicContact CG-CG2 3.94Å; E378-V415 HydrophobicContact CB-CG1 4.1Å; E378-V415 HydrophobicContact CG-CG1 4.08Å; G410-V415 PolarHBondContact O-N 2.9Å; G410-V415 VanDerWaalsContact O-N 3.14Å; D413-V415 HydrophobicContact CB-CG2 4Å; D413-V415 PolarHBondContact O-N 3.36Å; V415-H417 PolarHBondContact O-N 2.9Å; V415-K418 HydrophobicContact CB-CB 4.47Å; V415-K418 HydrophobicContact CB-CD 4.13Å; V415-K418 HydrophobicContact CB-CG 4.25Å; V415-K418 HydrophobicContact CG1-CD 4.25Å; V415-K418 WeakPolarHBondContact O-CB 3.42Å; V415-K418 PolarHBondContact O-N 2.99Å
416	M	97.1	Very high	98.2	Very high	23 Å²	23	24.3 Å²	24.3	11%	0.113	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-48.5	-33	176.8	-54.7	-179.1	79.7	0	0	113.6	L283 K286 G410 D411 K418 M419	L283-M416 WeakPolarHBondContact O-CE 3.49Å; K286-M416 WeakPolarHBondContact CE-O 3.46Å; K286-M416 PolarHBondContact NZ-O 3.09Å; G410-M416 WeakPolarHBondContact O-CG 3.13Å; G410-M416 PolarHBondContact O-N 3.1Å; D411-M416 HydrophobicContact CB-CE 4.12Å; D411-M416 HydrophobicContact CB-CG 4.36Å; D411-M416 HydrophobicContact CB-SD 3.79Å; M416-K418 VanDerWaalsContact C-N 3.31Å; M416-K418 PolarHBondContact O-N 2.88Å; M416-M419 PolarHBondContact O-N 3.28Å
417	H	98	Very high	98.2	Very high	135 Å²	135	25.9 Å²	25.9	63%	0.625	14%	0.144	S	C	*	.	G	3₁₀ helix	trans	-66.9	-29	178.7	65.8	-85.8	0	0	0	113	G414 V415 M419	G414-H417 PolarHBondContact O-ND1 3.38Å; V415-H417 PolarHBondContact O-N 2.9Å; H417-M419 VanDerWaalsContact C-N 3.3Å; H417-M419 PolarHBondContact O-N 3.5Å
418	K	98.6	Very high	98.3	Very high	31 Å²	31	27.5 Å²	27.5	14%	0.135	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-75.6	-12.8	176.6	-57.9	-170.6	169.2	-178.7	0	113.9	E378 C381 D382 H385 T391 V415 M416	E378-K418 HydrophobicContact CG-CD 4.34Å; E378-K418 IonicContact OE1-NZ 3.32Å; E378-K418 PolarHBondContact OE1-NZ 3.29Å; C381-K418 HydrophobicContact CB-CB 3.77Å; C381-K418 HydrophobicContact CB-CD 4.48Å; D382-K418 VanDerWaalsContact OD1-CD 3.31Å; D382-K418 WeakPolarHBondContact OD1-CD 3.47Å; D382-K418 WeakPolarHBondContact OD1-CE 3.13Å; D382-K418 IonicContact OD1-NZ 2.8Å; D382-K418 PolarHBondContact OD1-NZ 3.08Å; D382-K418 IonicContact OD2-NZ 3.32Å; D382-K418 PolarHBondContact OD2-NZ 3.46Å; H385-K418 PolarHBondContact CE1-O 3.3Å; T391-K418 PolarHBondContact OG1-O 3.43Å; V415-K418 HydrophobicContact CB-CB 4.47Å; V415-K418 HydrophobicContact CB-CD 4.13Å; V415-K418 HydrophobicContact CB-CG 4.25Å; V415-K418 HydrophobicContact CG1-CD 4.25Å; V415-K418 WeakPolarHBondContact O-CB 3.42Å; V415-K418 PolarHBondContact O-N 2.99Å; M416-K418 VanDerWaalsContact C-N 3.31Å; M416-K418 PolarHBondContact O-N 2.88Å
419	M	98.8	Very high	98.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.			trans	-91.7	106.6	-179.7	-56.7	158.2	77.5	0	0	110.1	K286 T366 L377 V393 E395 M416 H417 I422	K286-M419 WeakPolarHBondContact CE-O 3.27Å; K286-M419 PolarHBondContact NZ-O 2.97Å; T366-M419 HydrophobicContact CG2-CE 4.45Å; L377-M419 HydrophobicContact CD1-CG 4.25Å; L377-M419 HydrophobicContact CD2-SD 4.05Å; V393-M419 HydrophobicContact CB-CE 3.88Å; V393-M419 HydrophobicContact CG1-CE 3.48Å; V393-M419 VanDerWaalsContact CG1-CE 3.48Å; V393-M419 HydrophobicContact CG2-CB 4.23Å; V393-M419 HydrophobicContact CG2-CG 4.21Å; E395-M419 HydrophobicContact CG-CE 3.47Å; E395-M419 VanDerWaalsContact CG-CE 3.47Å; E395-M419 WeakPolarHBondContact OE1-CE 3.3Å; M416-M419 PolarHBondContact O-N 3.28Å; H417-M419 VanDerWaalsContact C-N 3.3Å; H417-M419 PolarHBondContact O-N 3.5Å; M419-I422 HydrophobicContact CB-CD1 4.06Å; M419-I422 HydrophobicContact CB-CG1 3.77Å; M419-I422 HydrophobicContact CE-CD1 3.87Å; M419-I422 HydrophobicContact CE-CG1 3.77Å; M419-I422 HydrophobicContact CE-CG2 4.32Å; M419-I422 HydrophobicContact SD-CD1 4.02Å; M419-I422 HydrophobicContact SD-CG1 4.35Å
420	D	98.9	Very high	98.3	Very high	46 Å²	46	27.7 Å²	27.7	25%	0.246	15%	0.152	C	C	.	.	S	Bend	trans	-69.2	-45	-173.8	-58.6	-77.3	0	0	0	111.8	H385 I390 T391 S439	H385-D420 IonicContact CD2-OD2 2.71Å; H385-D420 IonicContact CE1-OD2 3.46Å; H385-D420 IonicContact NE2-OD1 3.59Å; H385-D420 IonicContact NE2-OD2 1.75Å; H385-D420 PolarHBondContact NE2-OD2 3.39Å; I390-D420 WeakPolarHBondContact CA-OD2 3.46Å; I390-D420 HydrophobicContact CB-CB 4.08Å; T391-D420 PolarHBondContact N-OD2 3.32Å; T391-D420 PolarHBondContact OG1-N 3.47Å; T391-D420 PolarHBondContact OG1-OD2 3.13Å; D420-S439 VanDerWaalsContact O-CB 3.3Å; D420-S439 WeakPolarHBondContact O-CB 3.11Å; D420-S439 PolarHBondContact O-OG 2.95Å
421	I	98.9	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.7	177.2	-48.9	159.9	0	0	0	108.1	T302 L306 I390 T391 F392 V393 I437 L443	T302-I421 HydrophobicContact CG2-CG2 4.46Å; L306-I421 HydrophobicContact CD1-CD1 3.45Å; L306-I421 VanDerWaalsContact CD1-CD1 3.45Å; I390-I421 HydrophobicContact CD1-CD1 4.05Å; T391-I421 PolarHBondContact O-N 2.97Å; F392-I421 HydrophobicContact CD2-CB 4.04Å; F392-I421 HydrophobicContact CD2-CD1 4.02Å; F392-I421 HydrophobicContact CD2-CG2 3.74Å; F392-I421 HydrophobicContact CE2-CG2 3.87Å; V393-I421 PolarHBondContact N-O 2.87Å; I421-I437 HydrophobicContact CG2-CB 4.28Å; I421-I437 HydrophobicContact CG2-CG2 4.45Å; I421-L443 HydrophobicContact CD1-CD1 3.86Å; I421-L443 HydrophobicContact CD1-CD2 4.3Å; I421-L443 HydrophobicContact CG1-CD1 3.73Å; I421-L443 HydrophobicContact CG1-CD2 4.06Å
422	I	98.9	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.8	173.7	-55.7	178.5	0	0	0	108.4	H284 V393 E395 M419 I437 A438	H284-I422 HydrophobicContact CB-CD1 4.16Å; V393-I422 WeakPolarHBondContact O-CA 3.47Å; E395-I422 HydrophobicContact CB-CG2 4.12Å; E395-I422 HydrophobicContact CG-CG2 3.84Å; M419-I422 HydrophobicContact CB-CD1 4.06Å; M419-I422 HydrophobicContact CB-CG1 3.77Å; M419-I422 HydrophobicContact CE-CD1 3.87Å; M419-I422 HydrophobicContact CE-CG1 3.77Å; M419-I422 HydrophobicContact CE-CG2 4.32Å; M419-I422 HydrophobicContact SD-CD1 4.02Å; M419-I422 HydrophobicContact SD-CG1 4.35Å; I422-I437 CarbonylContact O-C 3.54Å; I422-I437 WeakPolarHBondContact O-CA 3.11Å; I422-A438 PolarHBondContact N-O 2.89Å; I422-A438 PolarHBondContact O-N 3.2Å
423	S	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.3	167.6	65	0	0	0	0	111.7	N299 V393 D394 E395 Y436	N299-S423 VanDerWaalsContact OD1-CB 3.29Å; N299-S423 WeakPolarHBondContact OD1-CB 3.38Å; N299-S423 PolarHBondContact OD1-OG 2.79Å; V393-S423 PolarHBondContact O-N 2.98Å; D394-S423 WeakPolarHBondContact CA-OG 3.47Å; D394-S423 WeakPolarHBondContact CB-OG 3.3Å; D394-S423 VanDerWaalsContact CG-OG 3.31Å; D394-S423 PolarHBondContact OD1-OG 2.98Å; E395-S423 PolarHBondContact N-O 3.12Å; S423-Y436 WeakPolarHBondContact CA-O 3.31Å
424	G	98.9	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.7	-178.1	0	0	0	0	0	113.6	C295 G435 Y436	C295-G424 VanDerWaalsContact SG-C 3.52Å; C295-G424 PolarHBondContact SG-O 2.95Å; G424-G435 CarbonylContact O-C 3.55Å; G424-G435 VanDerWaalsContact O-CA 3.24Å; G424-G435 WeakPolarHBondContact O-CA 3.39Å; G424-Y436 VanDerWaalsContact C-CE1 3.5Å; G424-Y436 PolarHBondContact N-O 2.87Å; G424-Y436 WeakPolarHBondContact O-CD1 3.46Å; G424-Y436 PolarHBondContact O-N 3.39Å
425	T	98.9	Very high	98.6	Very high	14 Å²	14	20.5 Å²	20.5	9%	0.086	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.5	178.7	-169.8	0	0	0	0	112.4	V396 G427 K428 F430 G434	V396-T425 HydrophobicContact CB-CG2 4.34Å; V396-T425 HydrophobicContact CG1-CG2 3.85Å; V396-T425 HydrophobicContact CG2-CG2 4.25Å; T425-G427 PolarHBondContact OG1-N 3.03Å; T425-K428 HydrophobicContact CG2-CB 3.79Å; T425-K428 HydrophobicContact CG2-CD 3.88Å; T425-K428 HydrophobicContact CG2-CG 3.66Å; T425-F430 WeakPolarHBondContact O-CD2 3.34Å; T425-G434 PolarHBondContact OG1-O 2.95Å
426	L	98.9	Very high	98.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-90.8	-10.2	167.3	-53.5	179.4	0	0	0	112.5	L276 L280 L291 F430 C432 G434 Y436 A468 I472	L276-L426 HydrophobicContact CD2-CD1 3.9Å; L280-L426 HydrophobicContact CD2-CD2 4.4Å; L291-L426 HydrophobicContact CD2-CD1 3.91Å; L426-F430 HydrophobicContact CD2-CD2 4.31Å; L426-C432 HydrophobicContact CB-CB 4.42Å; L426-C432 CarbonylContact O-C 3.53Å; L426-C432 WeakPolarHBondContact O-CA 3.34Å; L426-C432 PolarHBondContact O-N 3.4Å; L426-G434 PolarHBondContact N-O 3.47Å; L426-Y436 HydrophobicContact CD2-CD1 3.96Å; L426-Y436 HydrophobicContact CD2-CE1 3.96Å; L426-Y436 HydrophobicContact CG-CD1 4.39Å; L426-A468 HydrophobicContact CB-CB 4.4Å; L426-A468 HydrophobicContact CD1-CB 3.91Å; L426-A468 HydrophobicContact CD2-CB 4.29Å; L426-A468 HydrophobicContact CG-CB 4.43Å; L426-I472 HydrophobicContact CD2-CD1 4.16Å
427	G	98.3	Very high	98.7	Very high	33 Å²	33	19.2 Å²	19.2	34%	0.34	11%	0.111	S	C	.	.	S	Bend	trans	-100.5	18.9	-170.1	0	0	0	0	0	116.5	T425 C432	T425-G427 PolarHBondContact OG1-N 3.03Å; G427-C432 VanDerWaalsContact CA-O 3.26Å; G427-C432 WeakPolarHBondContact CA-O 3.44Å
428	K	98.8	Very high	98.8	Very high	36 Å²	36	12.8 Å²	12.8	16%	0.157	8%	0.081	C	C	.	.	S	Bend	trans	-121.4	-107.3	175.1	-65	-176.4	-178.2	161.4	0	110.6	N234 Y236 V396 H397 T425 F430 G431	N234-K428 HydrophobicContact CB-CB 4.34Å; N234-K428 HydrophobicContact CB-CD 4.16Å; N234-K428 HydrophobicContact CB-CG 3.81Å; N234-K428 CarbonylContact O-C 3.48Å; N234-K428 WeakPolarHBondContact O-CA 3.41Å; N234-K428 WeakPolarHBondContact O-CB 3.34Å; Y236-K428 HydrophobicContact CD2-CB 4.21Å; Y236-K428 HydrophobicContact CE2-CB 3.89Å; Y236-K428 HydrophobicContact CE2-CD 4.29Å; Y236-K428 HydrophobicContact CE2-CG 4.44Å; V396-K428 HydrophobicContact CG1-CD 3.89Å; H397-K428 PolarHBondContact CD2-NZ 3.16Å; H397-K428 PolarHBondContact NE2-NZ 3.06Å; T425-K428 HydrophobicContact CG2-CB 3.79Å; T425-K428 HydrophobicContact CG2-CD 3.88Å; T425-K428 HydrophobicContact CG2-CG 3.66Å; K428-F430 PolarHBondContact O-N 3.31Å; K428-F430 VanDerWaalsContact O-N 3.15Å; K428-G431 PolarHBondContact O-N 3.49Å
429	A	98.8	Very high	98.8	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.008	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.8	-179	0	0	0	0	0	114.3	Y236 L237 M239 V399 L401 G431 L475	Y236-A429 HydrophobicContact CD2-CB 4.47Å; L237-A429 HydrophobicContact CD1-CB 4.5Å; M239-A429 WeakPolarHBondContact CB-O 3.39Å; M239-A429 WeakPolarHBondContact CG-O 3.21Å; V399-A429 WeakPolarHBondContact O-CB 3.44Å; L401-A429 HydrophobicContact CD2-CB 3.61Å; L401-A429 HydrophobicContact CG-CB 3.83Å; A429-G431 VanDerWaalsContact C-N 3.31Å; A429-L475 HydrophobicContact CB-CD1 4.49Å
430	F	98.9	Very high	98.8	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.009	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.5	175	-56	-58.1	0	0	0	114.5	L283 V399 T425 L426 K428 C432 S471 I472 L475	L283-F430 HydrophobicContact CD2-CZ 3.92Å; V399-F430 HydrophobicContact CB-CE2 3.77Å; V399-F430 HydrophobicContact CB-CZ 4.05Å; V399-F430 HydrophobicContact CG2-CD2 4.4Å; V399-F430 HydrophobicContact CG2-CE2 3.75Å; V399-F430 HydrophobicContact CG2-CZ 4.47Å; T425-F430 WeakPolarHBondContact O-CD2 3.34Å; L426-F430 HydrophobicContact CD2-CD2 4.31Å; K428-F430 PolarHBondContact O-N 3.31Å; K428-F430 VanDerWaalsContact O-N 3.15Å; F430-C432 PolarHBondContact O-N 2.97Å; F430-C432 PolarHBondContact O-SG 2.86Å; F430-S471 WeakPolarHBondContact CA-OG 3.23Å; F430-S471 WeakPolarHBondContact O-CB 3.37Å; F430-S471 PolarHBondContact O-OG 3.14Å; F430-S471 VanDerWaalsContact O-OG 3.1Å; F430-I472 HydrophobicContact CD1-CB 4.41Å; F430-I472 HydrophobicContact CD1-CG1 3.55Å; F430-I472 HydrophobicContact CD2-CG1 4.25Å; F430-I472 HydrophobicContact CE1-CB 4.2Å; F430-I472 HydrophobicContact CE1-CG1 3.48Å; F430-I472 VanDerWaalsContact CE1-CG1 3.48Å; F430-I472 HydrophobicContact CE2-CG1 4.17Å; F430-I472 HydrophobicContact CG-CG1 3.98Å; F430-I472 HydrophobicContact CZ-CG1 3.81Å; F430-L475 HydrophobicContact CD1-CD1 3.68Å; F430-L475 HydrophobicContact CD1-CG 4.49Å; F430-L475 HydrophobicContact CE1-CB 4.36Å; F430-L475 HydrophobicContact CE1-CD1 3.85Å
431	G	98.3	Very high	98.8	Very high	14 Å²	14	15.9 Å²	15.9	14%	0.144	11%	0.107	C	C	.	.			trans	64.5	12.6	170	0	0	0	0	0	117.4	S240 K428 A429	S240-G431 VanDerWaalsContact CA-O 3.26Å; S240-G431 WeakPolarHBondContact CA-O 3.42Å; S240-G431 WeakPolarHBondContact CB-O 3.34Å; K428-G431 PolarHBondContact O-N 3.49Å; A429-G431 VanDerWaalsContact C-N 3.31Å
432	C	98.4	Very high	98.8	Very high	26 Å²	26	18.9 Å²	18.9	18%	0.176	13%	0.132	C	C	.	.	S	Bend	trans	-111.3	-137.5	-175.4	-66.6	0	0	0	0	110.9	L426 G427 F430 A468	L426-C432 HydrophobicContact CB-CB 4.42Å; L426-C432 CarbonylContact O-C 3.53Å; L426-C432 WeakPolarHBondContact O-CA 3.34Å; L426-C432 PolarHBondContact O-N 3.4Å; G427-C432 VanDerWaalsContact CA-O 3.26Å; G427-C432 WeakPolarHBondContact CA-O 3.44Å; F430-C432 PolarHBondContact O-N 2.97Å; F430-C432 PolarHBondContact O-SG 2.86Å; C432-A468 HydrophobicContact CB-CB 3.92Å; C432-A468 VanDerWaalsContact SG-CA 3.57Å; C432-A468 PolarHBondContact SG-N 3.37Å; C432-A468 VanDerWaalsContact SG-N 3.4Å
433	V	98.4	Very high	98.8	Very high	65 Å²	65	20.1 Å²	20.1	39%	0.394	14%	0.138	S	C	.	.			trans	-152.4	148.8	170.7	67.9	0	0	0	0	110	L464	V433-L464 HydrophobicContact CG1-CD1 3.67Å
434	G	98.7	Very high	98.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	14%	0.141	C	C	.	.			trans	132.7	172.8	-175.6	0	0	0	0	0	112.7	T293 T425 L426	T293-G434 WeakPolarHBondContact O-CA 3.48Å; T425-G434 PolarHBondContact OG1-O 2.95Å; L426-G434 PolarHBondContact N-O 3.47Å
435	G	98.8	Very high	98.8	Very high	0 Å²	0	24 Å²	24	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	170.9	166.7	0	0	0	0	0	110.7	F292 G424	F292-G435 PolarHBondContact N-O 2.94Å; F292-G435 PolarHBondContact O-N 2.95Å; G424-G435 CarbonylContact O-C 3.55Å; G424-G435 VanDerWaalsContact O-CA 3.24Å; G424-G435 WeakPolarHBondContact O-CA 3.39Å
436	Y	98.9	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	164.5	176.9	60.6	-91	0	0	0	111.5	L280 H284 L290 V399 S423 G424 L426	L280-Y436 HydrophobicContact CD1-CD1 3.75Å; L280-Y436 HydrophobicContact CD1-CD2 4.27Å; L280-Y436 HydrophobicContact CD1-CE1 4.33Å; L280-Y436 HydrophobicContact CD1-CG 3.71Å; L280-Y436 HydrophobicContact CD2-CD1 3.81Å; L280-Y436 HydrophobicContact CD2-CD2 4.24Å; L280-Y436 HydrophobicContact CD2-CE1 3.5Å; L280-Y436 VanDerWaalsContact CD2-CE1 3.5Å; L280-Y436 HydrophobicContact CD2-CE2 3.98Å; L280-Y436 HydrophobicContact CD2-CG 4.16Å; L280-Y436 HydrophobicContact CG-CD1 4.42Å; L280-Y436 HydrophobicContact CG-CG 4.46Å; H284-Y436 AromaticContact CD2-CE2 3.67Å; H284-Y436 AromaticContact NE2-CE2 3.37Å; H284-Y436 WeakPolarHBondContact NE2-CE2 3.31Å; H284-Y436 AromaticContact NE2-CZ 3.56Å; H284-Y436 PolarHBondContact NE2-OH 2.93Å; L290-Y436 WeakPolarHBondContact O-CA 3.43Å; L290-Y436 VanDerWaalsContact O-CB 3.3Å; L290-Y436 WeakPolarHBondContact O-CB 3.39Å; V399-Y436 VanDerWaalsContact CG1-OH 3.32Å; V399-Y436 WeakPolarHBondContact CG1-OH 3.44Å; S423-Y436 WeakPolarHBondContact CA-O 3.31Å; G424-Y436 VanDerWaalsContact C-CE1 3.5Å; G424-Y436 PolarHBondContact N-O 2.87Å; G424-Y436 WeakPolarHBondContact O-CD1 3.46Å; G424-Y436 PolarHBondContact O-N 3.39Å; L426-Y436 HydrophobicContact CD2-CD1 3.96Å; L426-Y436 HydrophobicContact CD2-CE1 3.96Å; L426-Y436 HydrophobicContact CG-CD1 4.39Å
437	I	98.9	Very high	98.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153.8	155.6	67	174.8	0	0	0	109.6	A289 L290 F292 A298 T302 I421 I422 L443 V447	A289-I437 CarbonylContact C-O 3.56Å; A289-I437 WeakPolarHBondContact CA-O 3.31Å; A289-I437 VanDerWaalsContact CB-O 3.27Å; A289-I437 WeakPolarHBondContact CB-O 3.31Å; L290-I437 HydrophobicContact CB-CG1 4.05Å; L290-I437 PolarHBondContact N-O 2.57Å; L290-I437 PolarHBondContact O-N 2.82Å; L290-I437 VanDerWaalsContact O-N 3.16Å; F292-I437 HydrophobicContact CE2-CG1 4.27Å; F292-I437 HydrophobicContact CE2-CG2 4.38Å; A298-I437 HydrophobicContact CB-CG2 4.37Å; T302-I437 HydrophobicContact CG2-CD1 3.9Å; T302-I437 HydrophobicContact CG2-CG2 4.27Å; T302-I437 WeakPolarHBondContact OG1-CG2 3.29Å; I421-I437 HydrophobicContact CG2-CB 4.28Å; I421-I437 HydrophobicContact CG2-CG2 4.45Å; I422-I437 CarbonylContact O-C 3.54Å; I422-I437 WeakPolarHBondContact O-CA 3.11Å; I437-L443 HydrophobicContact CD1-CD2 4.4Å; I437-V447 HydrophobicContact CD1-CB 4.04Å; I437-V447 HydrophobicContact CD1-CG1 3.97Å; I437-V447 HydrophobicContact CD1-CG2 3.96Å
438	A	98.9	Very high	98.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	133	166.7	0	0	0	0	0	109.3	H284 K286 A288 A289 I422	H284-A438 HydrophobicContact CB-CB 3.89Å; K286-A438 HydrophobicContact CB-CB 4.2Å; K286-A438 HydrophobicContact CG-CB 4.05Å; A288-A438 WeakPolarHBondContact O-CA 3.01Å; A289-A438 HydrophobicContact CB-CB 4.01Å; I422-A438 PolarHBondContact N-O 2.89Å; I422-A438 PolarHBondContact O-N 3.2Å
439	S	98.9	Very high	98.8	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	-167.9	-173.7	-168.4	0	0	0	0	110.6	A288 D420	A288-S439 PolarHBondContact N-O 3.39Å; A288-S439 PolarHBondContact O-N 3.33Å; A288-S439 VanDerWaalsContact O-N 3.08Å; D420-S439 VanDerWaalsContact O-CB 3.3Å; D420-S439 WeakPolarHBondContact O-CB 3.11Å; D420-S439 PolarHBondContact O-OG 2.95Å
440	T	98.9	Very high	98.8	Very high	72 Å²	72	36.6 Å²	36.6	44%	0.442	21%	0.208	S	C	.	.			trans	-60.8	151	171.6	66.3	0	0	0	0	111.3	D287 A442 L443 V444	D287-T440 WeakPolarHBondContact OD2-CA 3.48Å; T440-A442 VanDerWaalsContact C-N 3.35Å; T440-A442 PolarHBondContact O-N 2.86Å; T440-L443 PolarHBondContact O-N 3.26Å; T440-L443 WeakPolarHBondContact OG1-CB 3.21Å; T440-V444 PolarHBondContact O-N 3.07Å
441	S	98.8	Very high	98.8	Very high	68 Å²	68	36.5 Å²	36.5	48%	0.476	21%	0.208	S	C	.	.	H	α-helix	trans	-55.3	-48	-177.1	45	0	0	0	0	111.8	D287 L443 V444 D445	D287-S441 PolarHBondContact OD2-N 2.95Å; D287-S441 PolarHBondContact OD2-OG 3.29Å; D287-S441 VanDerWaalsContact OD2-OG 3.06Å; S441-L443 PolarHBondContact O-N 3.02Å; S441-V444 PolarHBondContact O-N 3.23Å; S441-D445 VanDerWaalsContact O-CB 3.31Å; S441-D445 WeakPolarHBondContact O-CB 3.47Å; S441-D445 PolarHBondContact O-N 2.88Å
442	A	98.8	Very high	98.8	Very high	64 Å²	64	38.6 Å²	38.6	53%	0.529	22%	0.224	S	C	.	.	H	α-helix	trans	-65.2	-36.7	179.4	0	0	0	0	0	113.6	T440 T446	T440-A442 VanDerWaalsContact C-N 3.35Å; T440-A442 PolarHBondContact O-N 2.86Å; A442-T446 WeakPolarHBondContact O-CB 3.49Å; A442-T446 PolarHBondContact O-N 2.96Å; A442-T446 PolarHBondContact O-OG1 2.97Å
443	L	98.8	Very high	98.7	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.131	23%	0.229	C	C	.	.	H	α-helix	trans	-69.3	-48	176.9	-171	153	0	0	0	110.6	L306 I390 I421 I437 T440 S441 D445 T446 V447	L306-L443 HydrophobicContact CD1-CD1 4.38Å; L306-L443 HydrophobicContact CD1-CD2 4.26Å; L306-L443 HydrophobicContact CD2-CD2 4.49Å; L306-L443 HydrophobicContact CD2-CG 4.21Å; I390-L443 HydrophobicContact CD1-CD1 4.47Å; I421-L443 HydrophobicContact CD1-CD1 3.86Å; I421-L443 HydrophobicContact CD1-CD2 4.3Å; I421-L443 HydrophobicContact CG1-CD1 3.73Å; I421-L443 HydrophobicContact CG1-CD2 4.06Å; I437-L443 HydrophobicContact CD1-CD2 4.4Å; T440-L443 PolarHBondContact O-N 3.26Å; T440-L443 WeakPolarHBondContact OG1-CB 3.21Å; S441-L443 PolarHBondContact O-N 3.02Å; L443-D445 VanDerWaalsContact C-N 3.29Å; L443-D445 PolarHBondContact O-N 3.48Å; L443-T446 WeakPolarHBondContact O-CB 3.12Å; L443-T446 PolarHBondContact O-N 2.96Å; L443-V447 HydrophobicContact CD2-CG2 4.08Å; L443-V447 WeakPolarHBondContact O-CG2 3.39Å; L443-V447 PolarHBondContact O-N 2.95Å
444	V	98.9	Very high	98.7	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-57.3	-43.6	174.7	165.9	0	0	0	0	111.2	A288 L290 T440 S441 T446 V447 R448	A288-V444 HydrophobicContact CB-CB 3.87Å; A288-V444 HydrophobicContact CB-CG1 3.78Å; A288-V444 HydrophobicContact CB-CG2 3.99Å; L290-V444 HydrophobicContact CB-CG1 4.03Å; T440-V444 PolarHBondContact O-N 3.07Å; S441-V444 PolarHBondContact O-N 3.23Å; V444-T446 VanDerWaalsContact C-N 3.34Å; V444-T446 PolarHBondContact O-N 3.33Å; V444-V447 PolarHBondContact O-N 2.63Å; V444-R448 VanDerWaalsContact O-CB 3.3Å; V444-R448 WeakPolarHBondContact O-CB 3.41Å; V444-R448 PolarHBondContact O-N 3.13Å
445	D	98.8	Very high	98.7	Very high	73 Å²	73	38.4 Å²	38.4	39%	0.39	22%	0.224	S	C	.	.	H	α-helix	trans	-69.7	-32.6	-179.3	-149.1	62.9	0	0	0	112.8	S441 L443 R448 S449	S441-D445 VanDerWaalsContact O-CB 3.31Å; S441-D445 WeakPolarHBondContact O-CB 3.47Å; S441-D445 PolarHBondContact O-N 2.88Å; L443-D445 VanDerWaalsContact C-N 3.29Å; L443-D445 PolarHBondContact O-N 3.48Å; D445-R448 IonicContact OD1-CZ 3.31Å; D445-R448 IonicContact OD1-NE 2.8Å; D445-R448 PolarHBondContact OD1-NE 3.17Å; D445-R448 IonicContact OD1-NH2 3.63Å; D445-R448 PolarHBondContact OD1-NH2 2.88Å; D445-R448 IonicContact OD2-CZ 3.93Å; D445-R448 IonicContact OD2-NH2 2.81Å; D445-R448 PolarHBondContact OD2-NH2 3.23Å; D445-S449 VanDerWaalsContact O-CB 3.22Å; D445-S449 WeakPolarHBondContact O-CB 3.47Å; D445-S449 PolarHBondContact O-N 2.98Å; D445-S449 PolarHBondContact O-OG 2.91Å
446	T	98.8	Very high	98.7	Very high	49 Å²	49	46.3 Å²	46.3	30%	0.301	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-51.2	170.2	-59	0	0	0	0	110.3	M309 A442 L443 V444 R448 S449 Y450	M309-T446 HydrophobicContact CE-CG2 3.8Å; M309-T446 HydrophobicContact SD-CG2 3.98Å; A442-T446 WeakPolarHBondContact O-CB 3.49Å; A442-T446 PolarHBondContact O-N 2.96Å; A442-T446 PolarHBondContact O-OG1 2.97Å; L443-T446 WeakPolarHBondContact O-CB 3.12Å; L443-T446 PolarHBondContact O-N 2.96Å; V444-T446 VanDerWaalsContact C-N 3.34Å; V444-T446 PolarHBondContact O-N 3.33Å; T446-R448 VanDerWaalsContact C-N 3.34Å; T446-R448 PolarHBondContact O-N 2.96Å; T446-S449 PolarHBondContact O-N 3.28Å; T446-S449 VanDerWaalsContact O-N 3.13Å; T446-Y450 HydrophobicContact CG2-CD2 4.07Å; T446-Y450 WeakPolarHBondContact O-CD2 3.46Å; T446-Y450 PolarHBondContact O-N 3.04Å
447	V	98.9	Very high	98.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-43.8	178	179.4	0	0	0	0	110.6	L290 F292 T302 L306 I437 L443 V444 S449 Y450 A451	L290-V447 HydrophobicContact CD2-CB 4.23Å; L290-V447 HydrophobicContact CD2-CG1 3.91Å; F292-V447 HydrophobicContact CZ-CG1 3.78Å; T302-V447 HydrophobicContact CG2-CG2 4.01Å; L306-V447 HydrophobicContact CD2-CG2 4.25Å; L306-V447 HydrophobicContact CG-CG2 4.41Å; I437-V447 HydrophobicContact CD1-CB 4.04Å; I437-V447 HydrophobicContact CD1-CG1 3.97Å; I437-V447 HydrophobicContact CD1-CG2 3.96Å; L443-V447 HydrophobicContact CD2-CG2 4.08Å; L443-V447 WeakPolarHBondContact O-CG2 3.39Å; L443-V447 PolarHBondContact O-N 2.95Å; V444-V447 PolarHBondContact O-N 2.63Å; V447-S449 PolarHBondContact O-N 2.7Å; V447-Y450 PolarHBondContact O-N 3.15Å; V447-A451 HydrophobicContact CG1-CB 3.89Å; V447-A451 WeakPolarHBondContact O-CB 3.31Å; V447-A451 PolarHBondContact O-N 2.89Å
448	R	98.8	Very high	98.6	Very high	100 Å²	100	52.7 Å²	52.7	38%	0.377	30%	0.298	S	S	.	.	H	α-helix	trans	-55.8	-37.1	175	-174.4	-174.6	66.7	66.3	3.9	112.9	L290 V444 D445 T446 F454	L290-R448 HydrophobicContact CD1-CB 3.86Å; L290-R448 HydrophobicContact CD1-CG 3.86Å; L290-R448 HydrophobicContact CD2-CB 3.95Å; V444-R448 VanDerWaalsContact O-CB 3.3Å; V444-R448 WeakPolarHBondContact O-CB 3.41Å; V444-R448 PolarHBondContact O-N 3.13Å; D445-R448 IonicContact OD1-CZ 3.31Å; D445-R448 IonicContact OD1-NE 2.8Å; D445-R448 PolarHBondContact OD1-NE 3.17Å; D445-R448 IonicContact OD1-NH2 3.63Å; D445-R448 PolarHBondContact OD1-NH2 2.88Å; D445-R448 IonicContact OD2-CZ 3.93Å; D445-R448 IonicContact OD2-NH2 2.81Å; D445-R448 PolarHBondContact OD2-NH2 3.23Å; T446-R448 VanDerWaalsContact C-N 3.34Å; T446-R448 PolarHBondContact O-N 2.96Å; R448-F454 HydrophobicContact CB-CE1 4.35Å; R448-F454 HydrophobicContact CG-CD1 4.42Å; R448-F454 HydrophobicContact CG-CE1 3.59Å; R448-F454 HydrophobicContact CG-CZ 3.9Å; R448-F454 WeakPolarHBondContact O-CD1 3.24Å
449	S	98.8	Very high	98.6	Very high	50 Å²	50	53.4 Å²	53.4	35%	0.35	30%	0.303	S	S	.	.	H	α-helix	trans	-90.3	-21.6	-172.8	-58.4	0	0	0	0	114.3	D445 T446 V447 I455	D445-S449 VanDerWaalsContact O-CB 3.22Å; D445-S449 WeakPolarHBondContact O-CB 3.47Å; D445-S449 PolarHBondContact O-N 2.98Å; D445-S449 PolarHBondContact O-OG 2.91Å; T446-S449 PolarHBondContact O-N 3.28Å; T446-S449 VanDerWaalsContact O-N 3.13Å; V447-S449 PolarHBondContact O-N 2.7Å; S449-I455 WeakPolarHBondContact O-CD1 3.23Å
450	Y	98.8	Very high	98.6	Very high	151 Å²	151	54.2 Å²	54.2	59%	0.592	31%	0.307	S	S	*	.	H	α-helix	trans	-121.2	-19.4	-174.1	-69.1	-86.8	0	0	0	115.1	M309 T446 V447 A452	M309-Y450 HydrophobicContact CE-CD1 3.93Å; M309-Y450 HydrophobicContact CE-CD2 3.63Å; M309-Y450 HydrophobicContact CE-CE1 4.08Å; M309-Y450 HydrophobicContact CE-CE2 3.8Å; M309-Y450 HydrophobicContact CE-CG 3.7Å; M309-Y450 HydrophobicContact SD-CD1 4.15Å; M309-Y450 HydrophobicContact SD-CD2 4.04Å; M309-Y450 HydrophobicContact SD-CG 3.7Å; T446-Y450 HydrophobicContact CG2-CD2 4.07Å; T446-Y450 WeakPolarHBondContact O-CD2 3.46Å; T446-Y450 PolarHBondContact O-N 3.04Å; V447-Y450 PolarHBondContact O-N 3.15Å; Y450-A452 PolarHBondContact O-N 2.86Å; Y450-A452 VanDerWaalsContact O-N 3.15Å
451	A	98.6	Very high	98.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.295	C	S	.	.			trans	-75.1	106.4	-175.4	0	0	0	0	0	112.7	T305 V447 G453 F454 I455	T305-A451 WeakPolarHBondContact OG1-CA 3.46Å; V447-A451 HydrophobicContact CG1-CB 3.89Å; V447-A451 WeakPolarHBondContact O-CB 3.31Å; V447-A451 PolarHBondContact O-N 2.89Å; A451-G453 VanDerWaalsContact C-N 3.27Å; A451-G453 PolarHBondContact O-N 3.3Å; A451-F454 HydrophobicContact CB-CB 4.1Å; A451-F454 WeakPolarHBondContact O-CB 3.3Å; A451-F454 PolarHBondContact O-N 3.32Å; A451-I455 WeakPolarHBondContact O-CG1 3.33Å; A451-I455 PolarHBondContact O-N 2.97Å
452	A	98.4	Very high	98.6	Very high	57 Å²	57	49.4 Å²	49.4	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-55.8	-38.1	-179.8	0	0	0	0	0	113.6	Y450 F454 I455 F456	Y450-A452 PolarHBondContact O-N 2.86Å; Y450-A452 VanDerWaalsContact O-N 3.15Å; A452-F454 PolarHBondContact O-N 3.35Å; A452-I455 PolarHBondContact O-N 3.36Å; A452-F456 HydrophobicContact CB-CD2 4.01Å; A452-F456 HydrophobicContact CB-CE2 4.35Å; A452-F456 PolarHBondContact O-N 2.84Å
453	G	97.1	Very high	98.6	Very high	29 Å²	29	47.6 Å²	47.6	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-68.7	-12.6	176.7	0	0	0	0	0	115.1	A451 T457	A451-G453 VanDerWaalsContact C-N 3.27Å; A451-G453 PolarHBondContact O-N 3.3Å; G453-T457 WeakPolarHBondContact O-CG2 3.16Å
454	F	98.8	Very high	98.5	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.057	26%	0.261	C	S	.	.	H	α-helix	trans	-93.1	-45.4	168.7	173.7	-96.8	0	0	0	111.8	R264 L290 L291 F292 R448 A451 A452	R264-F454 HydrophobicContact CB-CE1 4.3Å; R264-F454 HydrophobicContact CB-CZ 4.08Å; R264-F454 HydrophobicContact CG-CE1 4.28Å; R264-F454 HydrophobicContact CG-CE2 3.97Å; R264-F454 HydrophobicContact CG-CZ 3.67Å; L290-F454 HydrophobicContact CD1-CD2 4.21Å; L290-F454 HydrophobicContact CD1-CE1 4.4Å; L290-F454 HydrophobicContact CD1-CE2 3.46Å; L290-F454 VanDerWaalsContact CD1-CE2 3.46Å; L290-F454 HydrophobicContact CD1-CZ 3.58Å; L290-F454 HydrophobicContact CD2-CD2 4.05Å; L290-F454 HydrophobicContact CD2-CE2 4.14Å; L290-F454 HydrophobicContact CD2-CG 4.4Å; L290-F454 HydrophobicContact CG-CD2 3.99Å; L290-F454 HydrophobicContact CG-CE2 3.69Å; L290-F454 HydrophobicContact CG-CZ 4.27Å; L291-F454 WeakPolarHBondContact O-CD2 3.35Å; L291-F454 VanDerWaalsContact O-CE2 3.31Å; L291-F454 WeakPolarHBondContact O-CE2 3.48Å; F292-F454 HydrophobicContact CD1-CB 4.14Å; F292-F454 HydrophobicContact CD1-CD2 4.42Å; F292-F454 HydrophobicContact CE1-CB 3.72Å; F292-F454 HydrophobicContact CE1-CD2 4.37Å; F292-F454 HydrophobicContact CE1-CG 4.49Å; F292-F454 HydrophobicContact CZ-CB 4.44Å; R448-F454 HydrophobicContact CB-CE1 4.35Å; R448-F454 HydrophobicContact CG-CD1 4.42Å; R448-F454 HydrophobicContact CG-CE1 3.59Å; R448-F454 HydrophobicContact CG-CZ 3.9Å; R448-F454 WeakPolarHBondContact O-CD1 3.24Å; A451-F454 HydrophobicContact CB-CB 4.1Å; A451-F454 WeakPolarHBondContact O-CB 3.3Å; A451-F454 PolarHBondContact O-N 3.32Å; A452-F454 PolarHBondContact O-N 3.35Å
455	I	98.6	Very high	98.5	Very high	47 Å²	47	48 Å²	48	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-74.2	-45.2	-169.6	-61.5	166.5	0	0	0	112.1	S449 A451 A452 T457	S449-I455 WeakPolarHBondContact O-CD1 3.23Å; A451-I455 WeakPolarHBondContact O-CG1 3.33Å; A451-I455 PolarHBondContact O-N 2.97Å; A452-I455 PolarHBondContact O-N 3.36Å; I455-T457 PolarHBondContact O-N 2.7Å
456	F	98.1	Very high	98.5	Very high	166 Å²	166	44.9 Å²	44.9	73%	0.728	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	37.3	-168.2	-57.2	-69.9	0	0	0	113.1	A452	A452-F456 HydrophobicContact CB-CD2 4.01Å; A452-F456 HydrophobicContact CB-CE2 4.35Å; A452-F456 PolarHBondContact O-N 2.84Å
457	T	98.2	Very high	98.6	Very high	50 Å²	50	42.6 Å²	42.6	31%	0.307	23%	0.228	S	C	.	.	S	Bend	trans	-135.1	150.5	176.2	-170.1	0	0	0	0	111.7	T263 T293 G453 I455	T263-T457 WeakPolarHBondContact CA-O 3.29Å; T263-T457 WeakPolarHBondContact CB-O 3.41Å; T263-T457 WeakPolarHBondContact CG2-O 3.47Å; T293-T457 HydrophobicContact CG2-CG2 3.98Å; G453-T457 WeakPolarHBondContact O-CG2 3.16Å; I455-T457 PolarHBondContact O-N 2.7Å
458	T	98.5	Very high	98.6	Very high	84 Å²	84	42.6 Å²	42.6	52%	0.515	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-63.5	136.8	171.8	-55.1	0	0	0	0	109.5
459	S	98.3	Very high	98.6	Very high	14 Å²	14	41.3 Å²	41.3	10%	0.098	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-71.3	159.5	-178.3	-148.4	0	0	0	0	112.8	A260 G262 R264 G268 H273	A260-S459 WeakPolarHBondContact CB-O 3.27Å; G262-S459 PolarHBondContact O-N 3.14Å; R264-S459 WeakPolarHBondContact CD-OG 3.37Å; G268-S459 WeakPolarHBondContact O-CB 3.47Å; H273-S459 PolarHBondContact CD2-OG 2.69Å; H273-S459 VanDerWaalsContact CD2-OG 3.26Å; H273-S459 PolarHBondContact NE2-OG 2.97Å
460	L	98.5	Very high	98.6	Very high	18 Å²	18	41 Å²	41	9%	0.094	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-63.4	141	-179.4	-79.4	173.1	0	0	0	112	H273 F292 L465	H273-L460 PolarHBondContact CE1-O 3.3Å; H273-L460 PolarHBondContact NE2-O 2.86Å; F292-L460 WeakPolarHBondContact O-CD1 3.31Å; L460-L465 HydrophobicContact CB-CD1 4.33Å; L460-L465 HydrophobicContact CB-CD2 3.7Å; L460-L465 HydrophobicContact CB-CG 4.19Å; L460-L465 HydrophobicContact CD1-CD2 3.73Å; L460-L465 HydrophobicContact CG-CD2 4.37Å
461	P	98.8	Very high	98.6	Very high	29 Å²	29	33.9 Å²	33.9	19%	0.188	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-47.6	123.5	172.5	-34.6	39.9	0	0	0	113.5	S258 M463 L464 L465	S258-P461 VanDerWaalsContact O-CB 3.27Å; S258-P461 WeakPolarHBondContact O-CB 3.2Å; P461-M463 HydrophobicContact CB-CE 4.07Å; P461-M463 HydrophobicContact CB-CG 4.08Å; P461-M463 PolarHBondContact O-N 2.95Å; P461-M463 VanDerWaalsContact O-N 3.11Å; P461-L464 HydrophobicContact CB-CB 4.37Å; P461-L464 HydrophobicContact CB-CD1 3.79Å; P461-L464 HydrophobicContact CB-CG 3.91Å; P461-L464 HydrophobicContact CG-CD1 3.79Å; P461-L464 HydrophobicContact CG-CG 4.47Å; P461-L464 PolarHBondContact O-N 3.18Å; P461-L465 PolarHBondContact O-N 3.09Å
462	P	98.8	Very high	98.6	Very high	11 Å²	11	33.9 Å²	33.9	7%	0.071	19%	0.189	C	C	.	.	H	α-helix	trans	-54.2	-35.3	-179	-28.9	36.1	0	0	0	114	T252 F272 L464 L465 A466	T252-P462 HydrophobicContact CG2-CB 4.36Å; F272-P462 HydrophobicContact CD2-CB 3.84Å; F272-P462 HydrophobicContact CE2-CB 4.39Å; F272-P462 HydrophobicContact CG-CB 4.42Å; P462-L464 VanDerWaalsContact C-N 3.31Å; P462-L464 PolarHBondContact O-N 3.28Å; P462-L465 PolarHBondContact O-N 2.94Å; P462-A466 PolarHBondContact O-N 3.2Å
463	M	98.7	Very high	98.6	Very high	26 Å²	26	34.5 Å²	34.5	13%	0.128	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-37.6	175.7	66	179.6	177.8	0	0	113.4	I249 T252 L253 P461 G467	I249-M463 WeakPolarHBondContact CG1-O 3.15Å; I249-M463 HydrophobicContact CG2-CB 4.18Å; I249-M463 HydrophobicContact CG2-CG 4.38Å; I249-M463 HydrophobicContact CG2-SD 4.49Å; T252-M463 HydrophobicContact CG2-CB 4.18Å; L253-M463 HydrophobicContact CB-CB 4.15Å; L253-M463 HydrophobicContact CB-SD 3.86Å; L253-M463 HydrophobicContact CD1-SD 3.77Å; L253-M463 HydrophobicContact CD2-SD 4.18Å; L253-M463 HydrophobicContact CG-SD 4.13Å; P461-M463 HydrophobicContact CB-CE 4.07Å; P461-M463 HydrophobicContact CB-CG 4.08Å; P461-M463 PolarHBondContact O-N 2.95Å; P461-M463 VanDerWaalsContact O-N 3.11Å; M463-G467 PolarHBondContact O-N 3.04Å; M463-G467 VanDerWaalsContact O-N 3.11Å
464	L	98.5	Very high	98.7	Very high	42 Å²	42	33.3 Å²	33.3	22%	0.22	17%	0.169	C	C	.	.	H	α-helix	trans	-76	-30.6	-179.2	-60.3	175.4	0	0	0	111.1	V433 P461 P462 A468	V433-L464 HydrophobicContact CG1-CD1 3.67Å; P461-L464 HydrophobicContact CB-CB 4.37Å; P461-L464 HydrophobicContact CB-CD1 3.79Å; P461-L464 HydrophobicContact CB-CG 3.91Å; P461-L464 HydrophobicContact CG-CD1 3.79Å; P461-L464 HydrophobicContact CG-CG 4.47Å; P461-L464 PolarHBondContact O-N 3.18Å; P462-L464 VanDerWaalsContact C-N 3.31Å; P462-L464 PolarHBondContact O-N 3.28Å; L464-A468 WeakPolarHBondContact O-CB 3.24Å; L464-A468 PolarHBondContact O-N 3.25Å
465	L	98.9	Very high	98.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-72.2	-39.2	174.9	-53.5	-173.5	0	0	0	111.8	F272 H273 L276 L291 L460 P461 P462 G467 A468 R469	F272-L465 HydrophobicContact CB-CB 4.05Å; H273-L465 HydrophobicContact CB-CD1 4.22Å; H273-L465 VanDerWaalsContact CD2-CD1 3.42Å; H273-L465 WeakPolarHBondContact CD2-CD1 3.3Å; H273-L465 VanDerWaalsContact CE1-CD1 3.46Å; H273-L465 WeakPolarHBondContact CE1-CD1 3.27Å; H273-L465 VanDerWaalsContact CG-CD1 3.46Å; H273-L465 WeakPolarHBondContact ND1-CD1 3.35Å; H273-L465 WeakPolarHBondContact NE2-CD1 3.36Å; L276-L465 HydrophobicContact CD2-CB 3.97Å; L276-L465 HydrophobicContact CD2-CD2 3.83Å; L276-L465 HydrophobicContact CD2-CG 4.42Å; L291-L465 HydrophobicContact CD1-CD1 4.24Å; L291-L465 HydrophobicContact CD1-CD2 4.32Å; L460-L465 HydrophobicContact CB-CD1 4.33Å; L460-L465 HydrophobicContact CB-CD2 3.7Å; L460-L465 HydrophobicContact CB-CG 4.19Å; L460-L465 HydrophobicContact CD1-CD2 3.73Å; L460-L465 HydrophobicContact CG-CD2 4.37Å; P461-L465 PolarHBondContact O-N 3.09Å; P462-L465 PolarHBondContact O-N 2.94Å; L465-G467 VanDerWaalsContact C-N 3.34Å; L465-A468 PolarHBondContact O-N 3.48Å; L465-R469 WeakPolarHBondContact O-CB 3.38Å; L465-R469 PolarHBondContact O-N 3.24Å
466	A	98.9	Very high	98.7	Very high	7 Å²	7	31.7 Å²	31.7	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-41.2	172.3	0	0	0	0	0	112.1	S248 T252 F272 P462 Q470	S248-A466 PolarHBondContact OG-O 3.32Å; T252-A466 HydrophobicContact CG2-CB 4.02Å; T252-A466 WeakPolarHBondContact OG1-CB 3.14Å; F272-A466 HydrophobicContact CD1-CB 3.73Å; F272-A466 HydrophobicContact CE1-CB 3.93Å; P462-A466 PolarHBondContact O-N 3.2Å; A466-Q470 WeakPolarHBondContact O-CB 3.45Å; A466-Q470 PolarHBondContact O-N 3.48Å; A466-Q470 VanDerWaalsContact O-N 3.11Å
467	G	98.9	Very high	98.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.9	-50.1	171.1	0	0	0	0	0	112.6	M463 L465 R469 Q470 S471	M463-G467 PolarHBondContact O-N 3.04Å; M463-G467 VanDerWaalsContact O-N 3.11Å; L465-G467 VanDerWaalsContact C-N 3.34Å; G467-R469 PolarHBondContact O-N 3.43Å; G467-Q470 PolarHBondContact O-N 3.39Å; G467-S471 PolarHBondContact O-N 3.35Å
468	A	98.9	Very high	98.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-44.2	-179.4	0	0	0	0	0	112.3	L276 L426 C432 L464 L465 Q470 S471 I472	L276-A468 HydrophobicContact CD2-CB 4.07Å; L426-A468 HydrophobicContact CB-CB 4.4Å; L426-A468 HydrophobicContact CD1-CB 3.91Å; L426-A468 HydrophobicContact CD2-CB 4.29Å; L426-A468 HydrophobicContact CG-CB 4.43Å; C432-A468 HydrophobicContact CB-CB 3.92Å; C432-A468 VanDerWaalsContact SG-CA 3.57Å; C432-A468 PolarHBondContact SG-N 3.37Å; C432-A468 VanDerWaalsContact SG-N 3.4Å; L464-A468 WeakPolarHBondContact O-CB 3.24Å; L464-A468 PolarHBondContact O-N 3.25Å; L465-A468 PolarHBondContact O-N 3.48Å; A468-Q470 PolarHBondContact O-N 3.06Å; A468-S471 WeakPolarHBondContact O-CB 3.13Å; A468-S471 PolarHBondContact O-N 3.07Å; A468-I472 WeakPolarHBondContact O-CD1 3.37Å; A468-I472 WeakPolarHBondContact O-CG1 3.46Å; A468-I472 PolarHBondContact O-N 2.82Å
469	R	98.9	Very high	98.6	Very high	73 Å²	73	25.4 Å²	25.4	28%	0.275	13%	0.131	S	C	.	.	H	α-helix	trans	-58.9	-47.3	174.9	-172.5	179.4	177.6	-151	-6.7	111.4	E275 L276 E279 L465 G467 S471 I472 Q473	E275-R469 VanDerWaalsContact CD-NH1 3.31Å; E275-R469 IonicContact OE2-CZ 2.73Å; E275-R469 IonicContact OE2-NH1 3.49Å; E275-R469 PolarHBondContact OE2-NH1 2.94Å; L276-R469 HydrophobicContact CD1-CB 4.06Å; E279-R469 HydrophobicContact CB-CG 4.32Å; E279-R469 HydrophobicContact CG-CG 4.12Å; E279-R469 IonicContact OE2-CZ 3.12Å; E279-R469 IonicContact OE2-NE 2.73Å; E279-R469 PolarHBondContact OE2-NE 2.96Å; E279-R469 IonicContact OE2-NH2 2.91Å; L465-R469 WeakPolarHBondContact O-CB 3.38Å; L465-R469 PolarHBondContact O-N 3.24Å; G467-R469 PolarHBondContact O-N 3.43Å; R469-S471 VanDerWaalsContact C-N 3.29Å; R469-S471 PolarHBondContact O-N 3.34Å; R469-I472 PolarHBondContact O-N 2.79Å; R469-Q473 WeakPolarHBondContact O-CG 3.34Å; R469-Q473 PolarHBondContact O-N 3.37Å
470	Q	98.9	Very high	98.6	Very high	45 Å²	45	24.7 Å²	24.7	21%	0.21	13%	0.126	C	C	.	.	H	α-helix	trans	-62.2	-37.1	176.6	-179.6	58.6	82.6	0	0	112.1	R244 V245 A466 G467 A468 T474	R244-Q470 HydrophobicContact CB-CG 3.96Å; V245-Q470 HydrophobicContact CG2-CG 4.38Å; A466-Q470 WeakPolarHBondContact O-CB 3.45Å; A466-Q470 PolarHBondContact O-N 3.48Å; A466-Q470 VanDerWaalsContact O-N 3.11Å; G467-Q470 PolarHBondContact O-N 3.39Å; A468-Q470 PolarHBondContact O-N 3.06Å; Q470-T474 PolarHBondContact NE2-OG1 3.07Å; Q470-T474 PolarHBondContact O-N 2.92Å; Q470-T474 PolarHBondContact O-OG1 3.08Å; Q470-T474 VanDerWaalsContact O-OG1 3.13Å
471	S	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-66.4	-44.1	175.9	-169.1	0	0	0	0	112	M239 F430 G467 A468 R469 T474 L475	M239-S471 VanDerWaalsContact CE-OG 3.31Å; M239-S471 WeakPolarHBondContact CE-OG 3.34Å; F430-S471 WeakPolarHBondContact CA-OG 3.23Å; F430-S471 WeakPolarHBondContact O-CB 3.37Å; F430-S471 PolarHBondContact O-OG 3.14Å; F430-S471 VanDerWaalsContact O-OG 3.1Å; G467-S471 PolarHBondContact O-N 3.35Å; A468-S471 WeakPolarHBondContact O-CB 3.13Å; A468-S471 PolarHBondContact O-N 3.07Å; R469-S471 VanDerWaalsContact C-N 3.29Å; R469-S471 PolarHBondContact O-N 3.34Å; S471-T474 PolarHBondContact O-N 2.82Å; S471-L475 WeakPolarHBondContact O-CG 3.33Å; S471-L475 PolarHBondContact O-N 3.47Å
472	I	98.9	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-47.4	176.7	-70.2	157.6	0	0	0	110.3	L276 E279 L280 L283 L426 F430 A468 R469 T474 L475 K476	L276-I472 HydrophobicContact CD1-CD1 3.49Å; L276-I472 VanDerWaalsContact CD1-CD1 3.49Å; E279-I472 HydrophobicContact CG-CB 4.37Å; E279-I472 HydrophobicContact CG-CG2 3.77Å; L280-I472 HydrophobicContact CD2-CD1 3.67Å; L280-I472 HydrophobicContact CG-CD1 4.24Å; L283-I472 HydrophobicContact CD2-CG2 4.21Å; L426-I472 HydrophobicContact CD2-CD1 4.16Å; F430-I472 HydrophobicContact CD1-CB 4.41Å; F430-I472 HydrophobicContact CD1-CG1 3.55Å; F430-I472 HydrophobicContact CD2-CG1 4.25Å; F430-I472 HydrophobicContact CE1-CB 4.2Å; F430-I472 HydrophobicContact CE1-CG1 3.48Å; F430-I472 VanDerWaalsContact CE1-CG1 3.48Å; F430-I472 HydrophobicContact CE2-CG1 4.17Å; F430-I472 HydrophobicContact CG-CG1 3.98Å; F430-I472 HydrophobicContact CZ-CG1 3.81Å; A468-I472 WeakPolarHBondContact O-CD1 3.37Å; A468-I472 WeakPolarHBondContact O-CG1 3.46Å; A468-I472 PolarHBondContact O-N 2.82Å; R469-I472 PolarHBondContact O-N 2.79Å; I472-T474 VanDerWaalsContact C-N 3.33Å; I472-T474 PolarHBondContact O-N 2.74Å; I472-L475 PolarHBondContact O-N 2.69Å; I472-L475 VanDerWaalsContact O-N 3.14Å; I472-K476 HydrophobicContact CG2-CD 3.58Å; I472-K476 HydrophobicContact CG2-CG 4.31Å; I472-K476 VanDerWaalsContact O-CG 3.3Å; I472-K476 WeakPolarHBondContact O-CG 3.38Å; I472-K476 PolarHBondContact O-N 3.14Å
473	Q	98.8	Very high	98.5	Very high	71 Å²	71	30 Å²	30	33%	0.332	15%	0.145	S	C	.	.	H	α-helix	trans	-60.2	-40.6	177.7	-72.1	175.5	-11.9	0	0	112.6	E279 R469 G477	E279-Q473 HydrophobicContact CG-CG 4.42Å; E279-Q473 WeakPolarHBondContact OE1-CG 3.42Å; E279-Q473 PolarHBondContact OE2-NE2 2.98Å; R469-Q473 WeakPolarHBondContact O-CG 3.34Å; R469-Q473 PolarHBondContact O-N 3.37Å; Q473-G477 PolarHBondContact O-N 3.39Å
474	T	98.8	Very high	98.5	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-45.8	172.7	-66.6	0	0	0	0	111.8	M239 R244 Q470 S471 I472 K476 G477 E479 G480	M239-T474 HydrophobicContact CE-CG2 3.76Å; R244-T474 PolarHBondContact NH2-OG1 2.79Å; Q470-T474 PolarHBondContact NE2-OG1 3.07Å; Q470-T474 PolarHBondContact O-N 2.92Å; Q470-T474 PolarHBondContact O-OG1 3.08Å; Q470-T474 VanDerWaalsContact O-OG1 3.13Å; S471-T474 PolarHBondContact O-N 2.82Å; I472-T474 VanDerWaalsContact C-N 3.33Å; I472-T474 PolarHBondContact O-N 2.74Å; T474-K476 VanDerWaalsContact C-N 3.33Å; T474-K476 PolarHBondContact O-N 3.33Å; T474-G477 PolarHBondContact O-N 2.97Å; T474-E479 HydrophobicContact CG2-CB 4.27Å; T474-E479 HydrophobicContact CG2-CG 4.16Å; T474-E479 VanDerWaalsContact CG2-OE2 3.28Å; T474-E479 WeakPolarHBondContact CG2-OE2 3.49Å; T474-G480 PolarHBondContact O-N 3.31Å
475	L	98.8	Very high	98.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-73.6	-19.1	-177.6	-66.5	-168.8	0	0	0	114.6	L237 M239 A429 F430 S471 I472 G480 L483 R484	L237-L475 HydrophobicContact CD1-CD1 3.77Å; L237-L475 HydrophobicContact CD1-CD2 3.6Å; L237-L475 HydrophobicContact CD1-CG 4.37Å; M239-L475 HydrophobicContact CE-CD2 4.29Å; M239-L475 HydrophobicContact CE-CG 4.38Å; M239-L475 HydrophobicContact CG-CD1 4.24Å; M239-L475 HydrophobicContact CG-CD2 4.19Å; M239-L475 HydrophobicContact CG-CG 4.39Å; M239-L475 HydrophobicContact SD-CD2 3.93Å; M239-L475 HydrophobicContact SD-CG 4.49Å; A429-L475 HydrophobicContact CB-CD1 4.49Å; F430-L475 HydrophobicContact CD1-CD1 3.68Å; F430-L475 HydrophobicContact CD1-CG 4.49Å; F430-L475 HydrophobicContact CE1-CB 4.36Å; F430-L475 HydrophobicContact CE1-CD1 3.85Å; S471-L475 WeakPolarHBondContact O-CG 3.33Å; S471-L475 PolarHBondContact O-N 3.47Å; I472-L475 PolarHBondContact O-N 2.69Å; I472-L475 VanDerWaalsContact O-N 3.14Å; L475-G480 WeakPolarHBondContact O-CA 3.08Å; L475-L483 HydrophobicContact CD2-CD1 4.01Å; L475-R484 PolarHBondContact O-NH1 2.84Å; L475-R484 PolarHBondContact O-NH2 3.48Å
476	K	98.5	Very high	98.3	Very high	26 Å²	26	36.5 Å²	36.5	11%	0.113	17%	0.167	C	C	.	.	H	α-helix	trans	-75.2	-24.6	169.5	-72.8	164.6	71.2	172.6	0	113.3	E279 D282 L283 R405 I472 T474 R481	E279-K476 IonicContact OE1-NZ 3.26Å; E279-K476 PolarHBondContact OE1-NZ 2.84Å; D282-K476 IonicContact OD2-NZ 3.91Å; D282-K476 PolarHBondContact OD2-NZ 3.23Å; L283-K476 HydrophobicContact CD1-CD 4.02Å; L283-K476 HydrophobicContact CD1-CG 3.83Å; R405-K476 HydrophobicContact CB-CG 4.38Å; R405-K476 VanDerWaalsContact O-CA 3.31Å; R405-K476 WeakPolarHBondContact O-CA 3.12Å; R405-K476 WeakPolarHBondContact O-CG 3.46Å; I472-K476 HydrophobicContact CG2-CD 3.58Å; I472-K476 HydrophobicContact CG2-CG 4.31Å; I472-K476 VanDerWaalsContact O-CG 3.3Å; I472-K476 WeakPolarHBondContact O-CG 3.38Å; I472-K476 PolarHBondContact O-N 3.14Å; T474-K476 VanDerWaalsContact C-N 3.33Å; T474-K476 PolarHBondContact O-N 3.33Å; K476-R481 PolarHBondContact O-NH1 3.47Å
477	G	97.7	Very high	98.3	Very high	28 Å²	28	36.1 Å²	36.1	29%	0.289	16%	0.164	S	C	.	.	S	Bend	trans	-82.1	-171.9	-179.3	0	0	0	0	0	114.6	Q473 T474 G480 R481	Q473-G477 PolarHBondContact O-N 3.39Å; T474-G477 PolarHBondContact O-N 2.97Å; G477-G480 PolarHBondContact O-N 3.06Å; G477-R481 PolarHBondContact O-N 3.14Å
478	E	97.4	Very high	98.1	Very high	76 Å²	76	38.1 Å²	38.1	36%	0.355	17%	0.173	S	C	.	.	H	α-helix	trans	-64.2	-39.4	176.9	-172.2	56.3	-129	0	0	112.3	G480 R481 M482 R485	E478-G480 PolarHBondContact O-N 3.23Å; E478-R481 WeakPolarHBondContact O-CA 3.46Å; E478-R481 WeakPolarHBondContact O-CB 3.48Å; E478-R481 PolarHBondContact O-N 2.66Å; E478-R481 IonicContact OE1-NE 2.68Å; E478-R481 IonicContact OE2-CZ 3.72Å; E478-R481 IonicContact OE2-NE 2.73Å; E478-R481 PolarHBondContact OE2-NE 3.12Å; E478-R481 IonicContact OE2-NH2 2.73Å; E478-R481 PolarHBondContact OE2-NH2 3.32Å; E478-M482 PolarHBondContact O-N 3.46Å; E478-R485 IonicContact OE1-CZ 3.68Å; E478-R485 IonicContact OE1-NH1 2.6Å; E478-R485 PolarHBondContact OE1-NH1 2.93Å; E478-R485 IonicContact OE1-NH2 3.47Å; E478-R485 PolarHBondContact OE1-NH2 2.83Å
479	E	98.4	Very high	97.9	Very high	63 Å²	63	41.3 Å²	41.3	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-54.8	-41.4	175.7	-173	-179.9	175.7	0	0	111.2	H242 R244 T474 M482 L483	H242-E479 IonicContact CD2-OE1 3.13Å; H242-E479 PolarHBondContact CD2-OE1 3.37Å; H242-E479 IonicContact CE1-OE2 3.76Å; H242-E479 CovalentContact NE2-OE1 1.75Å; H242-E479 IonicContact NE2-OE1 2.8Å; H242-E479 PolarHBondContact NE2-OE1 2.88Å; H242-E479 IonicContact NE2-OE2 2.69Å; H242-E479 PolarHBondContact NE2-OE2 2.95Å; R244-E479 IonicContact CZ-OE2 3.58Å; R244-E479 IonicContact NE-OE2 3.34Å; R244-E479 IonicContact NH2-OE2 3.47Å; R244-E479 PolarHBondContact NH2-OE2 2.9Å; T474-E479 HydrophobicContact CG2-CB 4.27Å; T474-E479 HydrophobicContact CG2-CG 4.16Å; T474-E479 VanDerWaalsContact CG2-OE2 3.28Å; T474-E479 WeakPolarHBondContact CG2-OE2 3.49Å; E479-M482 PolarHBondContact O-N 2.8Å; E479-L483 HydrophobicContact CG-CD1 4.14Å; E479-L483 WeakPolarHBondContact O-CB 3.26Å; E479-L483 VanDerWaalsContact O-CG 3.27Å; E479-L483 WeakPolarHBondContact O-CG 3.23Å; E479-L483 PolarHBondContact O-N 2.75Å
480	G	98.4	Very high	97.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.1	-44.4	173	0	0	0	0	0	114	T474 L475 G477 E478 R484	T474-G480 PolarHBondContact O-N 3.31Å; L475-G480 WeakPolarHBondContact O-CA 3.08Å; G477-G480 PolarHBondContact O-N 3.06Å; E478-G480 PolarHBondContact O-N 3.23Å; G480-R484 WeakPolarHBondContact O-CB 3.42Å; G480-R484 WeakPolarHBondContact O-CG 3.43Å; G480-R484 PolarHBondContact O-N 2.61Å; G480-R484 PolarHBondContact O-NH1 2.92Å
481	R	97.8	Very high	97.6	Very high	86 Å²	86	36 Å²	36	33%	0.325	16%	0.164	S	C	.	.	H	α-helix	trans	-63.4	-44	175.9	-69.9	-173.8	-73	-87.8	7.2	111.3	A404 K476 G477 E478 R484 R485	A404-R481 WeakPolarHBondContact O-CG 3Å; K476-R481 PolarHBondContact O-NH1 3.47Å; G477-R481 PolarHBondContact O-N 3.14Å; E478-R481 WeakPolarHBondContact O-CA 3.46Å; E478-R481 WeakPolarHBondContact O-CB 3.48Å; E478-R481 PolarHBondContact O-N 2.66Å; E478-R481 IonicContact OE1-NE 2.68Å; E478-R481 IonicContact OE2-CZ 3.72Å; E478-R481 IonicContact OE2-NE 2.73Å; E478-R481 PolarHBondContact OE2-NE 3.12Å; E478-R481 IonicContact OE2-NH2 2.73Å; E478-R481 PolarHBondContact OE2-NH2 3.32Å; R481-R484 WeakPolarHBondContact O-CB 3.26Å; R481-R484 PolarHBondContact O-N 3.2Å; R481-R485 WeakPolarHBondContact O-CG 3.32Å; R481-R485 PolarHBondContact O-N 2.86Å
482	M	97.4	Very high	97.3	Very high	64 Å²	64	38.8 Å²	38.8	32%	0.315	18%	0.177	S	C	.	.	H	α-helix	trans	-66.1	-41.7	179.2	-163.3	-116.7	-80.2	0	0	111.8	E478 E479 R484 R485 K486	E478-M482 PolarHBondContact O-N 3.46Å; E479-M482 PolarHBondContact O-N 2.8Å; M482-R484 PolarHBondContact O-N 2.89Å; M482-R485 PolarHBondContact O-N 3.39Å; M482-K486 WeakPolarHBondContact O-CB 3.39Å; M482-K486 PolarHBondContact O-N 3.3Å
483	L	98.4	Very high	97	Very high	19 Å²	19	38.8 Å²	38.8	10%	0.099	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-42.2	170.3	-75.4	170.4	0	0	0	112.1	L237 M239 L475 E479 K486 H487 P559	L237-L483 HydrophobicContact CD1-CB 4.44Å; L237-L483 HydrophobicContact CD2-CB 4.39Å; M239-L483 HydrophobicContact SD-CD1 4.15Å; L475-L483 HydrophobicContact CD2-CD1 4.01Å; E479-L483 HydrophobicContact CG-CD1 4.14Å; E479-L483 WeakPolarHBondContact O-CB 3.26Å; E479-L483 VanDerWaalsContact O-CG 3.27Å; E479-L483 WeakPolarHBondContact O-CG 3.23Å; E479-L483 PolarHBondContact O-N 2.75Å; L483-K486 PolarHBondContact O-N 2.91Å; L483-H487 VanDerWaalsContact O-CB 3.24Å; L483-H487 WeakPolarHBondContact O-CB 3.14Å; L483-H487 PolarHBondContact O-N 3.31Å; L483-P559 HydrophobicContact CD2-CB 4.11Å; L483-P559 HydrophobicContact CD2-CG 4.14Å; L483-P559 WeakPolarHBondContact O-CG 3.47Å
484	R	98.3	Very high	96.8	Very high	16 Å²	16	35.4 Å²	35.4	6%	0.06	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-46.4	174.3	-76.8	-171.8	-75.3	-72.9	2.9	111.8	G400 L401 G403 A404 L475 G480 R481 M482 H487 Q488	G400-R484 WeakPolarHBondContact O-CD 3.36Å; G400-R484 WeakPolarHBondContact O-CG 3.47Å; G400-R484 PolarHBondContact O-NH1 3.02Å; L401-R484 WeakPolarHBondContact O-CD 3.4Å; L401-R484 WeakPolarHBondContact O-CG 3.26Å; G403-R484 PolarHBondContact O-NE 3.14Å; A404-R484 PolarHBondContact O-NH2 3.34Å; L475-R484 PolarHBondContact O-NH1 2.84Å; L475-R484 PolarHBondContact O-NH2 3.48Å; G480-R484 WeakPolarHBondContact O-CB 3.42Å; G480-R484 WeakPolarHBondContact O-CG 3.43Å; G480-R484 PolarHBondContact O-N 2.61Å; G480-R484 PolarHBondContact O-NH1 2.92Å; R481-R484 WeakPolarHBondContact O-CB 3.26Å; R481-R484 PolarHBondContact O-N 3.2Å; M482-R484 PolarHBondContact O-N 2.89Å; R484-H487 WeakPolarHBondContact O-CB 3.38Å; R484-H487 PolarHBondContact O-N 3.31Å; R484-Q488 WeakPolarHBondContact O-CG 3.31Å; R484-Q488 PolarHBondContact O-N 3.16Å
485	R	96	Very high	96.5	Very high	123 Å²	123	35.6 Å²	35.6	46%	0.464	16%	0.161	S	C	.	.	H	α-helix	trans	-56.2	-52	174.9	-68.5	-171.8	-64.3	-94.8	10.1	111.1	E119 E478 R481 M482 H487 Q488 R489	E119-R485 IonicContact OE2-NH2 3.65Å; E478-R485 IonicContact OE1-CZ 3.68Å; E478-R485 IonicContact OE1-NH1 2.6Å; E478-R485 PolarHBondContact OE1-NH1 2.93Å; E478-R485 IonicContact OE1-NH2 3.47Å; E478-R485 PolarHBondContact OE1-NH2 2.83Å; R481-R485 WeakPolarHBondContact O-CG 3.32Å; R481-R485 PolarHBondContact O-N 2.86Å; M482-R485 PolarHBondContact O-N 3.39Å; R485-H487 VanDerWaalsContact C-N 3.33Å; R485-H487 PolarHBondContact O-N 2.84Å; R485-Q488 PolarHBondContact O-N 3.1Å; R485-R489 PolarHBondContact O-N 3.32Å; R485-R489 VanDerWaalsContact O-N 3.11Å
486	K	96.9	Very high	96	Very high	65 Å²	65	36.8 Å²	36.8	28%	0.283	17%	0.167	S	C	.	.	H	α-helix	trans	-63.1	-36.5	179.6	-165.5	170.5	-176.2	175.4	0	112.6	M482 L483 N490 P559	M482-K486 WeakPolarHBondContact O-CB 3.39Å; M482-K486 PolarHBondContact O-N 3.3Å; L483-K486 PolarHBondContact O-N 2.91Å; K486-N490 WeakPolarHBondContact O-CB 3.4Å; K486-N490 VanDerWaalsContact O-CG 3.3Å; K486-N490 PolarHBondContact O-N 3.15Å; K486-N490 VanDerWaalsContact O-N 3.14Å; K486-N490 PolarHBondContact O-OD1 2.92Å; K486-P559 HydrophobicContact CB-CB 4.13Å; K486-P559 HydrophobicContact CD-CB 4.05Å; K486-P559 VanDerWaalsContact CE-O 3.23Å; K486-P559 WeakPolarHBondContact CE-O 3.2Å; K486-P559 HydrophobicContact CG-CB 3.94Å
487	H	98.6	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-54.4	175	-176.9	-147.3	0	0	0	111.9	L237 L483 R484 R485 R489 N490 V491 H511 P557 P559	L237-H487 HydrophobicContact CD2-CB 3.9Å; L483-H487 VanDerWaalsContact O-CB 3.24Å; L483-H487 WeakPolarHBondContact O-CB 3.14Å; L483-H487 PolarHBondContact O-N 3.31Å; R484-H487 WeakPolarHBondContact O-CB 3.38Å; R484-H487 PolarHBondContact O-N 3.31Å; R485-H487 VanDerWaalsContact C-N 3.33Å; R485-H487 PolarHBondContact O-N 2.84Å; H487-R489 VanDerWaalsContact C-N 3.34Å; H487-R489 PolarHBondContact O-N 3.06Å; H487-N490 PolarHBondContact O-N 3Å; H487-N490 VanDerWaalsContact O-N 3.17Å; H487-V491 WeakPolarHBondContact O-CG2 3.34Å; H487-V491 PolarHBondContact O-N 3.25Å; H487-H511 WeakPolarHBondContact CE1-CB 3.27Å; H487-H511 AromaticContact CE1-CD2 3.75Å; H487-H511 AromaticContact CE1-CG 3.55Å; H487-P557 PolarHBondContact CD2-O 2.95Å; H487-P557 PolarHBondContact NE2-O 2.9Å; H487-P559 HydrophobicContact CB-CG 3.82Å
488	Q	95.6	Very high	95.6	Very high	42 Å²	42	34.9 Å²	34.9	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-39	-177.2	-61.4	-59.3	-18.5	0	0	111.9	R484 R485 N490 V491 Q492	R484-Q488 WeakPolarHBondContact O-CG 3.31Å; R484-Q488 PolarHBondContact O-N 3.16Å; R485-Q488 PolarHBondContact O-N 3.1Å; Q488-N490 PolarHBondContact O-N 3.44Å; Q488-V491 WeakPolarHBondContact O-CB 3.19Å; Q488-V491 PolarHBondContact O-N 2.81Å; Q488-Q492 VanDerWaalsContact O-CG 3.3Å; Q488-Q492 WeakPolarHBondContact O-CG 3.21Å; Q488-Q492 PolarHBondContact O-N 2.91Å
489	R	93.9	Very high	95.3	Very high	66 Å²	66	31.6 Å²	31.6	25%	0.249	14%	0.136	C	C	.	.	H	α-helix	trans	-59	-44	173.3	-174.4	172.4	62.3	114.9	-5	112.3	R485 H487 Q492 L493 E608 F612	R485-R489 PolarHBondContact O-N 3.32Å; R485-R489 VanDerWaalsContact O-N 3.11Å; H487-R489 VanDerWaalsContact C-N 3.34Å; H487-R489 PolarHBondContact O-N 3.06Å; R489-Q492 PolarHBondContact O-N 3.4Å; R489-L493 WeakPolarHBondContact O-CB 3.4Å; R489-L493 PolarHBondContact O-N 3.33Å; R489-E608 VanDerWaalsContact CD-OE1 3.23Å; R489-E608 WeakPolarHBondContact CD-OE1 3.36Å; R489-F612 HydrophobicContact CG-CE2 4.01Å; R489-F612 HydrophobicContact CG-CZ 4.06Å
490	N	96.8	Very high	94.7	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.032	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-36.1	177	-75.8	8.5	0	0	0	112.7	K486 H487 Q488 L494 T558 H561 M566	K486-N490 WeakPolarHBondContact O-CB 3.4Å; K486-N490 VanDerWaalsContact O-CG 3.3Å; K486-N490 PolarHBondContact O-N 3.15Å; K486-N490 VanDerWaalsContact O-N 3.14Å; K486-N490 PolarHBondContact O-OD1 2.92Å; H487-N490 PolarHBondContact O-N 3Å; H487-N490 VanDerWaalsContact O-N 3.17Å; Q488-N490 PolarHBondContact O-N 3.44Å; N490-L494 WeakPolarHBondContact O-CB 3.49Å; N490-L494 PolarHBondContact O-N 3.13Å; N490-L494 VanDerWaalsContact O-N 3.07Å; N490-T558 PolarHBondContact ND2-O 3.41Å; N490-H561 PolarHBondContact ND2-O 3.35Å; N490-M566 HydrophobicContact CB-CE 3.67Å; N490-M566 VanDerWaalsContact CG-CE 3.48Å
491	V	96.1	Very high	94.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-61.3	-51.2	172.6	170.1	0	0	0	0	110.6	H487 Q488 L494 R495 H511 I513 P557	H487-V491 WeakPolarHBondContact O-CG2 3.34Å; H487-V491 PolarHBondContact O-N 3.25Å; Q488-V491 WeakPolarHBondContact O-CB 3.19Å; Q488-V491 PolarHBondContact O-N 2.81Å; V491-L494 PolarHBondContact O-N 2.87Å; V491-R495 VanDerWaalsContact O-CB 3.28Å; V491-R495 WeakPolarHBondContact O-CB 3.3Å; V491-R495 PolarHBondContact O-N 3.16Å; V491-H511 HydrophobicContact CG2-CB 3.76Å; V491-I513 HydrophobicContact CG1-CD1 4.27Å; V491-I513 HydrophobicContact CG1-CG1 4.32Å; V491-P557 HydrophobicContact CB-CG 4.37Å; V491-P557 HydrophobicContact CG2-CG 3.79Å
492	Q	91.3	Very high	94.2	Very high	58 Å²	58	29.1 Å²	29.1	27%	0.271	14%	0.137	S	C	.	.	H	α-helix	trans	-60.1	-48.7	-178.5	-72	167.9	-5.1	0	0	111.3	Q488 R489 R495 Q496 F601	Q488-Q492 VanDerWaalsContact O-CG 3.3Å; Q488-Q492 WeakPolarHBondContact O-CG 3.21Å; Q488-Q492 PolarHBondContact O-N 2.91Å; R489-Q492 PolarHBondContact O-N 3.4Å; Q492-R495 PolarHBondContact O-N 3.1Å; Q492-Q496 PolarHBondContact O-N 3.37Å; Q492-F601 HydrophobicContact CG-CD1 4.31Å; Q492-F601 HydrophobicContact CG-CE1 4.35Å
493	L	92.2	Very high	94	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.4	-53.7	177.1	178.8	64.5	0	0	0	111.5	R489 R495 Q496 M497 P563 M566 F612	R489-L493 WeakPolarHBondContact O-CB 3.4Å; R489-L493 PolarHBondContact O-N 3.33Å; L493-R495 VanDerWaalsContact C-N 3.33Å; L493-R495 PolarHBondContact O-N 3.06Å; L493-Q496 PolarHBondContact O-N 3.11Å; L493-M497 HydrophobicContact CD1-CG 4.32Å; L493-M497 HydrophobicContact CD1-SD 4.08Å; L493-M497 HydrophobicContact CG-SD 3.88Å; L493-M497 VanDerWaalsContact O-CG 3.26Å; L493-M497 WeakPolarHBondContact O-CG 3.36Å; L493-M497 PolarHBondContact O-N 3.38Å; L493-P563 HydrophobicContact CD2-CB 4.31Å; L493-P563 HydrophobicContact CD2-CG 4.39Å; L493-M566 HydrophobicContact CB-SD 4.46Å; L493-M566 HydrophobicContact CD2-CE 4.44Å; L493-M566 HydrophobicContact CD2-SD 3.92Å; L493-M566 HydrophobicContact CG-SD 4.22Å; L493-F612 HydrophobicContact CD1-CD1 4.25Å; L493-F612 HydrophobicContact CD1-CG 4.35Å; L493-F612 HydrophobicContact CD2-CD1 3.84Å; L493-F612 HydrophobicContact CD2-CE1 3.55Å; L493-F612 HydrophobicContact CD2-CZ 4.11Å
494	L	95.7	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.9	-39.8	-178.7	-178.6	58.4	0	0	0	112	W231 N490 V491 M497 L498 I513 I555 P557 M566 F569 V570	W231-L494 HydrophobicContact CE3-CD2 4.19Å; W231-L494 HydrophobicContact CZ3-CD2 3.85Å; N490-L494 WeakPolarHBondContact O-CB 3.49Å; N490-L494 PolarHBondContact O-N 3.13Å; N490-L494 VanDerWaalsContact O-N 3.07Å; V491-L494 PolarHBondContact O-N 2.87Å; L494-M497 PolarHBondContact O-N 2.92Å; L494-L498 HydrophobicContact CD1-CD1 4.05Å; L494-L498 HydrophobicContact CD1-CG 4.1Å; L494-L498 HydrophobicContact CG-CD1 3.82Å; L494-L498 HydrophobicContact CG-CG 4.36Å; L494-L498 WeakPolarHBondContact O-CB 3.47Å; L494-L498 WeakPolarHBondContact O-CD1 3.49Å; L494-L498 WeakPolarHBondContact O-CG 3.17Å; L494-L498 PolarHBondContact O-N 2.99Å; L494-I513 HydrophobicContact CB-CD1 4.13Å; L494-I513 HydrophobicContact CD2-CD1 4.18Å; L494-I513 HydrophobicContact CG-CD1 4.12Å; L494-I555 HydrophobicContact CD2-CG2 3.84Å; L494-P557 HydrophobicContact CD2-CB 3.78Å; L494-P557 HydrophobicContact CD2-CG 3.99Å; L494-M566 HydrophobicContact CB-CG 4.39Å; L494-M566 HydrophobicContact CB-SD 3.89Å; L494-M566 HydrophobicContact CD1-CB 4.08Å; L494-M566 HydrophobicContact CD1-CG 4.21Å; L494-F569 HydrophobicContact CD1-CD1 4.25Å; L494-V570 HydrophobicContact CD1-CG2 3.7Å
495	R	93.2	Very high	93.4	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-59.3	-47.6	176	-179.2	174.6	-64.9	144	4.7	111	V491 Q492 L493 L498 M499 V505 C508 S510 I512 I513	V491-R495 VanDerWaalsContact O-CB 3.28Å; V491-R495 WeakPolarHBondContact O-CB 3.3Å; V491-R495 PolarHBondContact O-N 3.16Å; Q492-R495 PolarHBondContact O-N 3.1Å; L493-R495 VanDerWaalsContact C-N 3.33Å; L493-R495 PolarHBondContact O-N 3.06Å; R495-L498 PolarHBondContact O-N 2.69Å; R495-M499 HydrophobicContact CG-SD 3.86Å; R495-M499 WeakPolarHBondContact O-CG 3.4Å; R495-M499 PolarHBondContact O-N 2.89Å; R495-V505 HydrophobicContact CG-CG1 4.37Å; R495-C508 PolarHBondContact NH1-O 3.21Å; R495-C508 PolarHBondContact NH2-O 3.33Å; R495-S510 PolarHBondContact NH2-O 3.17Å; R495-I512 PolarHBondContact NH2-O 3.26Å; R495-I512 VanDerWaalsContact NH2-O 3.07Å; R495-I513 HydrophobicContact CB-CD1 4.06Å
496	Q	88.3	Confident	92.8	Very high	26 Å²	26	21.4 Å²	21.4	12%	0.121	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-49.7	178.1	-168.1	62.9	48.7	0	0	110.9	Q492 L493 L498 M499 D500 H617 I619	Q492-Q496 PolarHBondContact O-N 3.37Å; L493-Q496 PolarHBondContact O-N 3.11Å; Q496-L498 VanDerWaalsContact C-N 3.28Å; Q496-L498 PolarHBondContact O-N 2.94Å; Q496-M499 PolarHBondContact O-N 3.38Å; Q496-M499 VanDerWaalsContact O-N 3.08Å; Q496-D500 PolarHBondContact NE2-OD1 3.41Å; Q496-D500 WeakPolarHBondContact O-CB 3.35Å; Q496-D500 PolarHBondContact O-N 3.28Å; Q496-H617 PolarHBondContact NE2-O 3.3Å; Q496-I619 VanDerWaalsContact NE2-CD1 3.33Å
497	M	93.1	Very high	91.9	Very high	14 Å²	14	18.4 Å²	18.4	7%	0.069	10%	0.098	C	C	.	.	H	α-helix	trans	-57.9	-37.5	178.6	-64.5	171.8	74.8	0	0	113.1	L493 L494 A501 M566 K567 V570 L615	L493-M497 HydrophobicContact CD1-CG 4.32Å; L493-M497 HydrophobicContact CD1-SD 4.08Å; L493-M497 HydrophobicContact CG-SD 3.88Å; L493-M497 VanDerWaalsContact O-CG 3.26Å; L493-M497 WeakPolarHBondContact O-CG 3.36Å; L493-M497 PolarHBondContact O-N 3.38Å; L494-M497 PolarHBondContact O-N 2.92Å; M497-A501 VanDerWaalsContact O-CB 3.29Å; M497-A501 WeakPolarHBondContact O-CB 3.47Å; M497-A501 PolarHBondContact O-N 3.33Å; M497-A501 VanDerWaalsContact O-N 3.16Å; M497-M566 HydrophobicContact CE-CB 4.42Å; M497-M566 HydrophobicContact SD-CB 4.13Å; M497-K567 HydrophobicContact CE-CB 3.9Å; M497-V570 HydrophobicContact CB-CG2 3.98Å; M497-L615 WeakPolarHBondContact CG-O 3.47Å
498	L	94.1	Very high	90.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.8	-38	176.6	-69.5	164.7	0	0	0	112.4	L494 R495 Q496 L503 V505 I513 I515 I555 F569 V570 L573	L494-L498 HydrophobicContact CD1-CD1 4.05Å; L494-L498 HydrophobicContact CD1-CG 4.1Å; L494-L498 HydrophobicContact CG-CD1 3.82Å; L494-L498 HydrophobicContact CG-CG 4.36Å; L494-L498 WeakPolarHBondContact O-CB 3.47Å; L494-L498 WeakPolarHBondContact O-CD1 3.49Å; L494-L498 WeakPolarHBondContact O-CG 3.17Å; L494-L498 PolarHBondContact O-N 2.99Å; R495-L498 PolarHBondContact O-N 2.69Å; Q496-L498 VanDerWaalsContact C-N 3.28Å; Q496-L498 PolarHBondContact O-N 2.94Å; L498-L503 HydrophobicContact CB-CD1 4.49Å; L498-L503 HydrophobicContact CD2-CD1 3.49Å; L498-L503 VanDerWaalsContact CD2-CD1 3.49Å; L498-L503 WeakPolarHBondContact O-CB 3.33Å; L498-L503 PolarHBondContact O-N 3.04Å; L498-L503 VanDerWaalsContact O-N 3.15Å; L498-V505 HydrophobicContact CB-CG2 3.59Å; L498-I513 HydrophobicContact CD1-CG2 3.8Å; L498-I515 HydrophobicContact CD1-CD1 4.12Å; L498-I515 HydrophobicContact CD2-CD1 3.9Å; L498-I555 HydrophobicContact CD1-CD1 3.89Å; L498-F569 HydrophobicContact CD2-CE1 4.2Å; L498-V570 HydrophobicContact CD2-CG1 4.49Å; L498-V570 HydrophobicContact CD2-CG2 3.77Å; L498-V570 HydrophobicContact CG-CG2 4.05Å; L498-L573 HydrophobicContact CD2-CD2 3.98Å
499	M	90.3	Very high	90.4	Very high	7 Å²	7	19.4 Å²	19.4	3%	0.034	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-43.8	176.5	-69.8	174	65.8	0	0	111.7	R495 Q496 A501 G502 V505 H507 H587 I619	R495-M499 HydrophobicContact CG-SD 3.86Å; R495-M499 WeakPolarHBondContact O-CG 3.4Å; R495-M499 PolarHBondContact O-N 2.89Å; Q496-M499 PolarHBondContact O-N 3.38Å; Q496-M499 VanDerWaalsContact O-N 3.08Å; M499-A501 PolarHBondContact O-N 3.17Å; M499-G502 WeakPolarHBondContact O-CA 3.49Å; M499-G502 PolarHBondContact O-N 3.35Å; M499-V505 HydrophobicContact CG-CB 4.06Å; M499-V505 HydrophobicContact CG-CG2 3.99Å; M499-H507 WeakPolarHBondContact CE-ND1 3.19Å; M499-H507 VanDerWaalsContact SD-CE1 3.56Å; M499-H507 PolarHBondContact SD-ND1 2.79Å; M499-H507 VanDerWaalsContact SD-ND1 3.42Å; M499-H587 HydrophobicContact CE-CB 4.03Å; M499-I619 HydrophobicContact CB-CD1 3.85Å; M499-I619 HydrophobicContact CE-CD1 3.88Å
500	D	87.1	Confident	90.4	Very high	59 Å²	59	16.2 Å²	16.2	32%	0.316	10%	0.095	S	C	.	.	H	α-helix	trans	-58.6	-35.9	174.9	-66.3	-6.2	0	0	0	111.7	Q496 G502 S616 H617	Q496-D500 PolarHBondContact NE2-OD1 3.41Å; Q496-D500 WeakPolarHBondContact O-CB 3.35Å; Q496-D500 PolarHBondContact O-N 3.28Å; D500-G502 PolarHBondContact O-N 3.3Å; D500-S616 WeakPolarHBondContact OD2-CA 3.47Å; D500-S616 VanDerWaalsContact OD2-CB 3.3Å; D500-S616 WeakPolarHBondContact OD2-CB 3.48Å; D500-H617 VanDerWaalsContact OD1-O 3.1Å; D500-H617 PolarHBondContact OD2-N 3.29Å
501	A	92	Very high	90.4	Very high	30 Å²	30	16 Å²	16	25%	0.248	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-3.9	174.9	0	0	0	0	0	114.4	M497 M499 V570 V574	M497-A501 VanDerWaalsContact O-CB 3.29Å; M497-A501 WeakPolarHBondContact O-CB 3.47Å; M497-A501 PolarHBondContact O-N 3.33Å; M497-A501 VanDerWaalsContact O-N 3.16Å; M499-A501 PolarHBondContact O-N 3.17Å; A501-V570 HydrophobicContact CB-CG1 3.86Å; A501-V574 HydrophobicContact CB-CG2 3.68Å
502	G	92.4	Very high	90.4	Very high	9 Å²	9	15.9 Å²	15.9	9%	0.093	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	24.2	180	0	0	0	0	0	114.5	M499 D500 L584 K585	M499-G502 WeakPolarHBondContact O-CA 3.49Å; M499-G502 PolarHBondContact O-N 3.35Å; D500-G502 PolarHBondContact O-N 3.3Å; G502-L584 CarbonylContact O-C 3.5Å; G502-L584 VanDerWaalsContact O-CA 3.31Å; G502-L584 WeakPolarHBondContact O-CA 3.42Å; G502-L584 WeakPolarHBondContact O-CB 3.39Å; G502-L584 WeakPolarHBondContact O-CD2 3.3Å; G502-K585 CarbonylContact C-O 3.56Å; G502-K585 PolarHBondContact O-N 3.14Å; G502-K585 VanDerWaalsContact O-O 3.09Å
503	L	93.8	Very high	90.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.081	C	C	.	.			trans	-79.1	147.3	173.5	-70.8	161.3	0	0	0	110.7	L498 V505 I515 L573 V574 W577 L584	L498-L503 HydrophobicContact CB-CD1 4.49Å; L498-L503 HydrophobicContact CD2-CD1 3.49Å; L498-L503 VanDerWaalsContact CD2-CD1 3.49Å; L498-L503 WeakPolarHBondContact O-CB 3.33Å; L498-L503 PolarHBondContact O-N 3.04Å; L498-L503 VanDerWaalsContact O-N 3.15Å; L503-V505 HydrophobicContact CB-CG2 4.48Å; L503-V505 PolarHBondContact O-N 3.35Å; L503-I515 HydrophobicContact CB-CG2 4.44Å; L503-I515 HydrophobicContact CD1-CD1 4.4Å; L503-L573 HydrophobicContact CD1-CD2 3.79Å; L503-L573 HydrophobicContact CD1-CG 4.05Å; L503-L573 HydrophobicContact CD2-CG 4.48Å; L503-V574 HydrophobicContact CD1-CG2 4.04Å; L503-V574 HydrophobicContact CG-CG2 4.36Å; L503-W577 HydrophobicContact CD2-CB 4.19Å; L503-W577 HydrophobicContact CD2-CD2 3.57Å; L503-W577 HydrophobicContact CD2-CE3 3.85Å; L503-W577 HydrophobicContact CD2-CG 3.73Å; L503-W577 HydrophobicContact CD2-CZ3 4.49Å; L503-L584 HydrophobicContact CD2-CD2 3.7Å; L503-L584 HydrophobicContact CG-CD2 4.05Å
504	P	92.1	Very high	90.8	Very high	33 Å²	33	13.1 Å²	13.1	21%	0.214	8%	0.081	C	C	.	.			trans	-78.7	65.3	179	33.9	-36.6	0	0	0	111.5	I515 R516 W577	P504-I515 HydrophobicContact CG-CG2 4Å; P504-I515 WeakPolarHBondContact O-CA 3.49Å; P504-R516 VanDerWaalsContact CG-O 3.22Å; P504-R516 WeakPolarHBondContact CG-O 3.27Å; P504-R516 PolarHBondContact O-N 3.33Å; P504-W577 HydrophobicContact CG-CH2 3.83Å; P504-W577 HydrophobicContact CG-CZ2 3.42Å; P504-W577 VanDerWaalsContact CG-CZ2 3.42Å
505	V	91.1	Very high	90.8	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.024	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-61.6	134	170.5	-175.8	0	0	0	0	109.3	R495 L498 M499 L503 I513 P514 I515 H587	R495-V505 HydrophobicContact CG-CG1 4.37Å; L498-V505 HydrophobicContact CB-CG2 3.59Å; M499-V505 HydrophobicContact CG-CB 4.06Å; M499-V505 HydrophobicContact CG-CG2 3.99Å; L503-V505 HydrophobicContact CB-CG2 4.48Å; L503-V505 PolarHBondContact O-N 3.35Å; V505-I513 HydrophobicContact CG1-CG2 3.77Å; V505-P514 CarbonylContact C-O 3.38Å; V505-P514 WeakPolarHBondContact CA-O 3.37Å; V505-I515 HydrophobicContact CG2-CG1 4.27Å; V505-H587 PolarHBondContact O-CE1 3.38Å; V505-H587 PolarHBondContact O-NE2 2.97Å
506	V	85.3	Confident	90.8	Very high	22 Å²	22	17.6 Å²	17.6	13%	0.133	10%	0.098	C	C	.	.			trans	-78.7	120.7	168.7	176.9	0	0	0	0	107.5	C508 P514 R516 F594	V506-C508 PolarHBondContact O-N 3.19Å; V506-P514 HydrophobicContact CB-CB 4Å; V506-P514 HydrophobicContact CB-CG 3.94Å; V506-P514 HydrophobicContact CG1-CG 4.46Å; V506-P514 HydrophobicContact CG2-CB 4.06Å; V506-P514 PolarHBondContact N-O 3.21Å; V506-R516 HydrophobicContact CG2-CB 4.3Å; V506-F594 HydrophobicContact CG1-CE2 3.92Å; V506-F594 HydrophobicContact CG1-CZ 4.5Å
507	H	76.8	Confident	91.2	Very high	3 Å²	3	17 Å²	17	1%	0.014	10%	0.096	C	C	.	.			trans	-81.7	107.2	-174.7	-151.3	99.5	0	0	0	112.1	M499 C592 N593 L599 F601	M499-H507 WeakPolarHBondContact CE-ND1 3.19Å; M499-H507 VanDerWaalsContact SD-CE1 3.56Å; M499-H507 PolarHBondContact SD-ND1 2.79Å; M499-H507 VanDerWaalsContact SD-ND1 3.42Å; H507-C592 PolarHBondContact O-SG 3.18Å; H507-N593 WeakPolarHBondContact CB-OD1 3.43Å; H507-N593 PolarHBondContact N-ND2 3.13Å; H507-N593 PolarHBondContact O-N 3.32Å; H507-L599 WeakPolarHBondContact CD2-CD2 3.38Å; H507-L599 WeakPolarHBondContact CE1-CD1 3.45Å; H507-L599 WeakPolarHBondContact NE2-CD2 3.43Å; H507-F601 AromaticContact CE1-CZ 3.89Å; H507-F601 AromaticContact NE2-CZ 3.87Å
508	C	78.1	Confident	91.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.			trans	-139.5	147.8	-173.6	64.3	0	0	0	0	112.1	D371 G372 R495 V506 S510 I512	D371-C508 WeakPolarHBondContact O-CB 3.38Å; D371-C508 PolarHBondContact O-SG 2.82Å; G372-C508 VanDerWaalsContact C-CB 3.49Å; G372-C508 WeakPolarHBondContact O-CB 3.32Å; R495-C508 PolarHBondContact NH1-O 3.21Å; R495-C508 PolarHBondContact NH2-O 3.33Å; V506-C508 PolarHBondContact O-N 3.19Å; C508-S510 PolarHBondContact O-N 3.08Å; C508-I512 PolarHBondContact SG-O 3.16Å
509	P	83.9	Confident	91.1	Very high	62 Å²	62	21.9 Å²	21.9	40%	0.403	13%	0.128	S	C	.	.	S	Bend	trans	-81.9	-8.9	-169.7	31.3	-34.3	0	0	0	115	V374	V374-P509 HydrophobicContact CB-CG 3.91Å; V374-P509 HydrophobicContact CG2-CG 3.85Å
510	S	94.3	Very high	91.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-80.4	-175.1	-178.6	76.8	0	0	0	0	114.2	G372 Y402 R495 C508 I512	G372-S510 VanDerWaalsContact C-OG 3.32Å; G372-S510 WeakPolarHBondContact CA-OG 3.41Å; G372-S510 WeakPolarHBondContact O-CB 3.25Å; G372-S510 PolarHBondContact O-N 3.42Å; G372-S510 PolarHBondContact O-OG 3.12Å; Y402-S510 WeakPolarHBondContact OH-CA 3.4Å; R495-S510 PolarHBondContact NH2-O 3.17Å; C508-S510 PolarHBondContact O-N 3.08Å; S510-I512 VanDerWaalsContact C-N 3.26Å; S510-I512 PolarHBondContact O-N 3.25Å; S510-I512 PolarHBondContact OG-N 3.17Å
511	H	96.8	Very high	91.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-76.9	-7.7	174.1	65.6	-76.9	0	0	0	114.3	Y236 H397 L401 Y402 H487 V491	Y236-H511 AromaticContact CD1-CD2 3.71Å; Y236-H511 AromaticContact CD1-NE2 3.81Å; Y236-H511 AromaticContact CE1-CD2 3.67Å; Y236-H511 AromaticContact CE1-NE2 3.4Å; Y236-H511 WeakPolarHBondContact CE1-NE2 3.3Å; Y236-H511 AromaticContact CE2-NE2 3.64Å; Y236-H511 AromaticContact CZ-NE2 3.29Å; Y236-H511 VanDerWaalsContact CZ-NE2 3.29Å; H397-H511 PolarHBondContact O-CE1 3.4Å; L401-H511 VanDerWaalsContact CD1-CE1 3.43Å; L401-H511 WeakPolarHBondContact CD1-CE1 3.11Å; Y402-H511 AromaticContact CE2-ND1 3.75Å; Y402-H511 AromaticContact CZ-ND1 3.83Å; Y402-H511 PolarHBondContact OH-N 3.13Å; Y402-H511 PolarHBondContact OH-ND1 3.46Å; H487-H511 WeakPolarHBondContact CE1-CB 3.27Å; H487-H511 AromaticContact CE1-CD2 3.75Å; H487-H511 AromaticContact CE1-CG 3.55Å; V491-H511 HydrophobicContact CG2-CB 3.76Å
512	I	97.3	Very high	91.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.142	C	C	.	.			trans	-84.5	139.7	178.6	-56.3	166.9	0	0	0	107.6	V367 H368 R495 C508 S510 P514 R554	V367-I512 HydrophobicContact CG1-CD1 4.08Å; H368-I512 WeakPolarHBondContact O-CD1 3.15Å; R495-I512 PolarHBondContact NH2-O 3.26Å; R495-I512 VanDerWaalsContact NH2-O 3.07Å; C508-I512 PolarHBondContact SG-O 3.16Å; S510-I512 VanDerWaalsContact C-N 3.26Å; S510-I512 PolarHBondContact O-N 3.25Å; S510-I512 PolarHBondContact OG-N 3.17Å; I512-P514 HydrophobicContact CG2-CG 4.37Å; I512-R554 VanDerWaalsContact CD1-NH2 3.28Å; I512-R554 HydrophobicContact CG2-CG 3.86Å
513	I	96.4	Very high	91.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	94.9	176.2	-52.9	173	0	0	0	108	V491 L494 R495 L498 V505 I555 P557	V491-I513 HydrophobicContact CG1-CD1 4.27Å; V491-I513 HydrophobicContact CG1-CG1 4.32Å; L494-I513 HydrophobicContact CB-CD1 4.13Å; L494-I513 HydrophobicContact CD2-CD1 4.18Å; L494-I513 HydrophobicContact CG-CD1 4.12Å; R495-I513 HydrophobicContact CB-CD1 4.06Å; L498-I513 HydrophobicContact CD1-CG2 3.8Å; V505-I513 HydrophobicContact CG1-CG2 3.77Å; I513-I555 HydrophobicContact CB-CB 4.26Å; I513-I555 PolarHBondContact N-O 2.73Å; I513-I555 WeakPolarHBondContact O-CB 3.39Å; I513-I555 PolarHBondContact O-N 3.05Å; I513-P557 HydrophobicContact CD1-CG 4.01Å
514	P	95.3	Very high	92	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	140.4	174.5	-0.4	18.5	0	0	0	110.2	M370 D371 V505 V506 I512 L552 L553	M370-P514 WeakPolarHBondContact O-CG 3.09Å; D371-P514 WeakPolarHBondContact O-CG 3.17Å; V505-P514 CarbonylContact C-O 3.38Å; V505-P514 WeakPolarHBondContact CA-O 3.37Å; V506-P514 HydrophobicContact CB-CB 4Å; V506-P514 HydrophobicContact CB-CG 3.94Å; V506-P514 HydrophobicContact CG1-CG 4.46Å; V506-P514 HydrophobicContact CG2-CB 4.06Å; V506-P514 PolarHBondContact N-O 3.21Å; I512-P514 HydrophobicContact CG2-CG 4.37Å; P514-L552 HydrophobicContact CB-CD1 4.27Å; P514-L552 HydrophobicContact CB-CD2 4.08Å; P514-L553 CarbonylContact C-O 3.59Å; P514-L553 WeakPolarHBondContact CA-O 3.41Å
515	I	95.5	Very high	92.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.7	169.9	-57.4	-179.9	0	0	0	108.2	L498 L503 P504 V505 V517 L552 L553 I555 L573 W577	L498-I515 HydrophobicContact CD1-CD1 4.12Å; L498-I515 HydrophobicContact CD2-CD1 3.9Å; L503-I515 HydrophobicContact CB-CG2 4.44Å; L503-I515 HydrophobicContact CD1-CD1 4.4Å; P504-I515 HydrophobicContact CG-CG2 4Å; P504-I515 WeakPolarHBondContact O-CA 3.49Å; V505-I515 HydrophobicContact CG2-CG1 4.27Å; I515-V517 PolarHBondContact O-N 2.75Å; I515-L552 CarbonylContact O-C 3.57Å; I515-L552 WeakPolarHBondContact O-CA 3.45Å; I515-L552 VanDerWaalsContact O-CB 3.3Å; I515-L552 WeakPolarHBondContact O-CB 3.35Å; I515-L553 HydrophobicContact CB-CB 4.43Å; I515-L553 PolarHBondContact N-O 3.37Å; I515-L553 PolarHBondContact O-N 3.22Å; I515-I555 HydrophobicContact CD1-CD1 3.43Å; I515-I555 VanDerWaalsContact CD1-CD1 3.43Å; I515-I555 HydrophobicContact CG1-CD1 4.01Å; I515-L573 HydrophobicContact CD1-CD2 3.62Å; I515-W577 HydrophobicContact CG2-CH2 3.72Å; I515-W577 HydrophobicContact CG2-CZ3 3.83Å
516	R	94	Very high	92.6	Very high	101 Å²	101	29.5 Å²	29.5	38%	0.381	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.6	-172.9	-175.4	174.5	178.6	145.6	7	111.2	P504 V506 A518 G549 E550	P504-R516 VanDerWaalsContact CG-O 3.22Å; P504-R516 WeakPolarHBondContact CG-O 3.27Å; P504-R516 PolarHBondContact O-N 3.33Å; V506-R516 HydrophobicContact CG2-CB 4.3Å; R516-A518 HydrophobicContact CG-CB 4.22Å; R516-G549 PolarHBondContact NE-O 2.98Å; R516-G549 PolarHBondContact NH2-O 3.33Å; R516-E550 IonicContact CZ-OE1 2.69Å; R516-E550 IonicContact CZ-OE2 3.13Å; R516-E550 IonicContact NE-OE2 3.38Å; R516-E550 IonicContact NH1-OE1 3.83Å; R516-E550 PolarHBondContact NH1-OE1 2.97Å; R516-E550 IonicContact NH1-OE2 2.92Å; R516-E550 PolarHBondContact NH1-OE2 2.77Å; R516-E550 IonicContact NH2-OE1 2.82Å; R516-E550 PolarHBondContact NH2-OE1 3.28Å; R516-E550 IonicContact NH2-OE2 2.77Å; R516-E550 PolarHBondContact NH2-OE2 3.12Å
517	V	94.7	Very high	93.1	Very high	13 Å²	13	28.5 Å²	28.5	8%	0.079	15%	0.15	C	C	.	.			trans	-101.2	-31.7	174	-173	0	0	0	0	111.5	I515 N519 K522 N523 E551 L553 W577 L582	I515-V517 PolarHBondContact O-N 2.75Å; V517-N519 PolarHBondContact O-N 2.93Å; V517-N519 VanDerWaalsContact O-N 3.1Å; V517-K522 HydrophobicContact CG1-CB 3.97Å; V517-N523 HydrophobicContact CB-CB 3.99Å; V517-N523 HydrophobicContact CG1-CB 3.94Å; V517-N523 HydrophobicContact CG2-CB 4.17Å; V517-N523 WeakPolarHBondContact CG2-OD1 3.45Å; V517-E551 CarbonylContact C-O 3.44Å; V517-E551 WeakPolarHBondContact CA-O 3.36Å; V517-E551 PolarHBondContact N-O 2.92Å; V517-L553 HydrophobicContact CG2-CG 4.24Å; V517-W577 HydrophobicContact CB-CH2 4.43Å; V517-W577 HydrophobicContact CG2-CH2 3.74Å; V517-W577 HydrophobicContact CG2-CZ3 3.85Å; V517-L582 HydrophobicContact CG1-CD1 4.01Å; V517-L582 HydrophobicContact CG1-CD2 4.46Å
518	A	92.6	Very high	94.1	Very high	45 Å²	45	30 Å²	30	37%	0.372	16%	0.158	S	C	.	.			trans	56.9	19.3	178.4	0	0	0	0	0	115.7	R516 G549 E551	R516-A518 HydrophobicContact CG-CB 4.22Å; A518-G549 WeakPolarHBondContact CA-O 3.33Å; A518-G549 WeakPolarHBondContact CB-O 3.38Å; A518-E551 PolarHBondContact N-O 3.4Å
519	N	94	Very high	95	Very high	71 Å²	71	31.3 Å²	31.3	38%	0.38	17%	0.165	S	C	.	.			trans	-153.2	122.5	175.1	178.9	-69.7	0	0	0	110	V517 E521 K522 N523 E551	V517-N519 PolarHBondContact O-N 2.93Å; V517-N519 VanDerWaalsContact O-N 3.1Å; N519-E521 PolarHBondContact O-N 2.9Å; N519-E521 WeakPolarHBondContact OD1-CB 3.38Å; N519-E521 PolarHBondContact OD1-N 3.49Å; N519-K522 HydrophobicContact CB-CB 4.17Å; N519-K522 HydrophobicContact CB-CG 4.38Å; N519-K522 PolarHBondContact OD1-N 3.37Å; N519-N523 VanDerWaalsContact O-CB 3.26Å; N519-N523 WeakPolarHBondContact O-CB 3.31Å; N519-N523 PolarHBondContact O-N 2.69Å; N519-E551 PolarHBondContact N-OE2 2.88Å
520	A	91.3	Very high	95.7	Very high	14 Å²	14	28.3 Å²	28.3	12%	0.116	15%	0.146	C	C	.	.	H	α-helix	trans	-65.4	-35.9	-174.3	0	0	0	0	0	114.5	H197 T524 N542 E551	H197-A520 HydrophobicContact CB-CB 4.32Å; A520-T524 WeakPolarHBondContact O-CB 3.49Å; A520-T524 PolarHBondContact O-N 2.96Å; A520-T524 VanDerWaalsContact O-N 3.16Å; A520-T524 PolarHBondContact O-OG1 3.19Å; A520-N542 HydrophobicContact CB-CB 4.34Å; A520-N542 PolarHBondContact O-ND2 3.24Å; A520-E551 HydrophobicContact CB-CG 4.02Å
521	E	94.1	Very high	95.8	Very high	109 Å²	109	28.4 Å²	28.4	51%	0.509	15%	0.146	S	C	.	.	H	α-helix	trans	-68.9	-52	178.3	-177.8	175.4	-138.5	0	0	110.2	H197 N519 N523 T524 E525	H197-E521 IonicContact CE1-OE1 3.51Å; N519-E521 PolarHBondContact O-N 2.9Å; N519-E521 WeakPolarHBondContact OD1-CB 3.38Å; N519-E521 PolarHBondContact OD1-N 3.49Å; E521-N523 VanDerWaalsContact C-N 3.33Å; E521-N523 PolarHBondContact O-N 2.87Å; E521-T524 WeakPolarHBondContact O-CB 3.46Å; E521-T524 PolarHBondContact O-N 2.95Å; E521-T524 VanDerWaalsContact O-N 3.12Å; E521-E525 PolarHBondContact O-N 3.17Å
522	K	95.8	Very high	95.7	Very high	63 Å²	63	30.9 Å²	30.9	27%	0.274	16%	0.159	S	C	.	.	H	α-helix	trans	-61.7	-36.9	176.6	-68.4	-52.5	-162.8	179	0	113.2	V517 N519 T524 E525 V526 S580 L582	V517-K522 HydrophobicContact CG1-CB 3.97Å; N519-K522 HydrophobicContact CB-CB 4.17Å; N519-K522 HydrophobicContact CB-CG 4.38Å; N519-K522 PolarHBondContact OD1-N 3.37Å; K522-T524 VanDerWaalsContact C-N 3.31Å; K522-T524 PolarHBondContact O-N 3.47Å; K522-E525 WeakPolarHBondContact CD-OE2 3.03Å; K522-E525 WeakPolarHBondContact CE-OE2 3.31Å; K522-E525 IonicContact NZ-OE1 3.77Å; K522-E525 IonicContact NZ-OE2 2.67Å; K522-E525 PolarHBondContact NZ-OE2 3.31Å; K522-E525 PolarHBondContact O-N 3.42Å; K522-V526 WeakPolarHBondContact O-CG2 3.33Å; K522-V526 PolarHBondContact O-N 3.28Å; K522-S580 WeakPolarHBondContact CE-O 3.35Å; K522-S580 PolarHBondContact NZ-O 3.09Å; K522-L582 HydrophobicContact CB-CD2 4.13Å; K522-L582 HydrophobicContact CG-CD2 4.21Å
523	N	96.9	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-42.6	175.1	-163.9	17.6	0	0	0	110.9	V517 N519 E521 C527 A540 I541 N542 E551 L552 L553	V517-N523 HydrophobicContact CB-CB 3.99Å; V517-N523 HydrophobicContact CG1-CB 3.94Å; V517-N523 HydrophobicContact CG2-CB 4.17Å; V517-N523 WeakPolarHBondContact CG2-OD1 3.45Å; N519-N523 VanDerWaalsContact O-CB 3.26Å; N519-N523 WeakPolarHBondContact O-CB 3.31Å; N519-N523 PolarHBondContact O-N 2.69Å; E521-N523 VanDerWaalsContact C-N 3.33Å; E521-N523 PolarHBondContact O-N 2.87Å; N523-C527 WeakPolarHBondContact O-CB 3.09Å; N523-C527 PolarHBondContact O-N 2.97Å; N523-C527 VanDerWaalsContact O-N 3.08Å; N523-A540 HydrophobicContact CB-CB 4.14Å; N523-A540 WeakPolarHBondContact O-CB 3.36Å; N523-I541 PolarHBondContact ND2-N 3.28Å; N523-I541 PolarHBondContact ND2-O 3.29Å; N523-I541 VanDerWaalsContact ND2-O 3.16Å; N523-N542 PolarHBondContact ND2-OD1 3.45Å; N523-E551 HydrophobicContact CB-CB 4.38Å; N523-L552 PolarHBondContact ND2-N 3.18Å; N523-L552 PolarHBondContact ND2-O 3.45Å; N523-L552 PolarHBondContact OD1-O 2.98Å; N523-L553 VanDerWaalsContact OD1-CD2 3.28Å; N523-L553 WeakPolarHBondContact OD1-CD2 3.42Å
524	T	95.8	Very high	95.7	Very high	49 Å²	49	37.3 Å²	37.3	30%	0.301	18%	0.184	S	C	.	.	H	α-helix	trans	-67.5	-42.1	176.6	-50.3	0	0	0	0	111.7	A520 E521 K522 C527 D528 N542	A520-T524 WeakPolarHBondContact O-CB 3.49Å; A520-T524 PolarHBondContact O-N 2.96Å; A520-T524 VanDerWaalsContact O-N 3.16Å; A520-T524 PolarHBondContact O-OG1 3.19Å; E521-T524 WeakPolarHBondContact O-CB 3.46Å; E521-T524 PolarHBondContact O-N 2.95Å; E521-T524 VanDerWaalsContact O-N 3.12Å; K522-T524 VanDerWaalsContact C-N 3.31Å; K522-T524 PolarHBondContact O-N 3.47Å; T524-C527 WeakPolarHBondContact O-CB 3.41Å; T524-C527 PolarHBondContact O-N 3.23Å; T524-D528 WeakPolarHBondContact O-CB 3.41Å; T524-D528 PolarHBondContact O-N 3.31Å; T524-N542 PolarHBondContact OG1-ND2 3.49Å
525	E	96.7	Very high	95.8	Very high	68 Å²	68	40.9 Å²	40.9	32%	0.318	20%	0.203	S	C	.	.	H	α-helix	trans	-57.6	-49.3	175.2	-178.1	179.7	-150.6	0	0	111.9	E521 K522 D528 I529	E521-E525 PolarHBondContact O-N 3.17Å; K522-E525 WeakPolarHBondContact CD-OE2 3.03Å; K522-E525 WeakPolarHBondContact CE-OE2 3.31Å; K522-E525 IonicContact NZ-OE1 3.77Å; K522-E525 IonicContact NZ-OE2 2.67Å; K522-E525 PolarHBondContact NZ-OE2 3.31Å; K522-E525 PolarHBondContact O-N 3.42Å; E525-D528 PolarHBondContact O-N 3.25Å; E525-I529 HydrophobicContact CG-CD1 3.85Å; E525-I529 WeakPolarHBondContact O-CG1 3.38Å; E525-I529 PolarHBondContact O-N 2.97Å
526	V	98	Very high	95.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-47.1	177.8	173.9	0	0	0	0	111.1	K522 D528 I529 M530 L553 L573 T576 S580 L582	K522-V526 WeakPolarHBondContact O-CG2 3.33Å; K522-V526 PolarHBondContact O-N 3.28Å; V526-D528 VanDerWaalsContact C-N 3.3Å; V526-D528 PolarHBondContact O-N 3.19Å; V526-I529 PolarHBondContact O-N 3.3Å; V526-M530 HydrophobicContact CG1-CG 4.25Å; V526-M530 WeakPolarHBondContact O-CB 3.39Å; V526-M530 WeakPolarHBondContact O-CG 3.34Å; V526-M530 PolarHBondContact O-N 3.23Å; V526-L553 HydrophobicContact CG1-CD1 3.8Å; V526-L573 HydrophobicContact CG1-CD1 3.83Å; V526-T576 HydrophobicContact CB-CG2 4.18Å; V526-T576 HydrophobicContact CG1-CG2 3.86Å; V526-T576 HydrophobicContact CG2-CG2 4.25Å; V526-S580 WeakPolarHBondContact CG2-OG 3.17Å; V526-L582 HydrophobicContact CG2-CD1 3.8Å
527	C	97.6	Very high	96.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-55.2	-44.4	174.3	169.6	0	0	0	0	111.9	N523 T524 M531 V538 A540	N523-C527 WeakPolarHBondContact O-CB 3.09Å; N523-C527 PolarHBondContact O-N 2.97Å; N523-C527 VanDerWaalsContact O-N 3.08Å; T524-C527 WeakPolarHBondContact O-CB 3.41Å; T524-C527 PolarHBondContact O-N 3.23Å; C527-M531 VanDerWaalsContact O-CB 3.27Å; C527-M531 WeakPolarHBondContact O-CB 3.39Å; C527-M531 PolarHBondContact O-N 3.32Å; C527-V538 PolarHBondContact SG-O 2.91Å; C527-A540 HydrophobicContact CB-CB 3.78Å
528	D	96.4	Very high	96.3	Very high	33 Å²	33	37 Å²	37	18%	0.176	19%	0.187	C	C	.	.	H	α-helix	trans	-71.9	-36.2	-178	-77.8	-8.3	0	0	0	112.9	L153 K203 T524 E525 V526 N532	L153-D528 WeakPolarHBondContact CD2-OD2 3.47Å; K203-D528 WeakPolarHBondContact CE-OD1 3.35Å; K203-D528 IonicContact NZ-OD1 3.73Å; K203-D528 PolarHBondContact NZ-OD1 3.36Å; T524-D528 WeakPolarHBondContact O-CB 3.41Å; T524-D528 PolarHBondContact O-N 3.31Å; E525-D528 PolarHBondContact O-N 3.25Å; V526-D528 VanDerWaalsContact C-N 3.3Å; V526-D528 PolarHBondContact O-N 3.19Å; D528-N532 WeakPolarHBondContact O-CB 3.37Å; D528-N532 PolarHBondContact O-N 3.48Å; D528-N532 PolarHBondContact O-ND2 2.9Å
529	I	97.6	Very high	96.6	Very high	28 Å²	28	37.4 Å²	37.4	14%	0.144	18%	0.181	C	C	.	.	H	α-helix	trans	-68.6	-48.6	174.9	-68.7	166.1	0	0	0	110.4	E525 V526 M531 N532 R533 T576	E525-I529 HydrophobicContact CG-CD1 3.85Å; E525-I529 WeakPolarHBondContact O-CG1 3.38Å; E525-I529 PolarHBondContact O-N 2.97Å; V526-I529 PolarHBondContact O-N 3.3Å; I529-M531 VanDerWaalsContact C-N 3.29Å; I529-M531 PolarHBondContact O-N 3.08Å; I529-N532 PolarHBondContact O-N 2.98Å; I529-R533 HydrophobicContact CG2-CB 4.49Å; I529-R533 WeakPolarHBondContact O-CB 3.49Å; I529-R533 PolarHBondContact O-N 3.32Å; I529-T576 HydrophobicContact CB-CG2 3.59Å; I529-T576 HydrophobicContact CD1-CG2 4.09Å; I529-T576 HydrophobicContact CG1-CG2 4.45Å; I529-T576 HydrophobicContact CG2-CG2 3.49Å; I529-T576 VanDerWaalsContact CG2-CG2 3.49Å
530	M	98.4	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-56	-44.8	177.5	-69.5	-65.4	-77.7	0	0	111.3	V526 H534 N535 I536 V538 F569 K572 L573 T576	V526-M530 HydrophobicContact CG1-CG 4.25Å; V526-M530 WeakPolarHBondContact O-CB 3.39Å; V526-M530 WeakPolarHBondContact O-CG 3.34Å; V526-M530 PolarHBondContact O-N 3.23Å; M530-H534 CarbonylContact O-C 3.54Å; M530-H534 WeakPolarHBondContact O-CA 3.27Å; M530-H534 WeakPolarHBondContact O-CB 3.46Å; M530-H534 PolarHBondContact O-N 3.42Å; M530-N535 PolarHBondContact O-N 2.94Å; M530-I536 CarbonylContact C-O 3.58Å; M530-I536 HydrophobicContact CB-CB 4.33Å; M530-I536 HydrophobicContact CB-CG2 4.42Å; M530-I536 HydrophobicContact CE-CB 4.02Å; M530-I536 HydrophobicContact CE-CD1 3.59Å; M530-I536 HydrophobicContact CE-CG1 4.41Å; M530-I536 HydrophobicContact CE-CG2 3.67Å; M530-I536 PolarHBondContact O-N 2.74Å; M530-V538 HydrophobicContact CB-CG1 4.25Å; M530-V538 HydrophobicContact CG-CG1 4.35Å; M530-F569 HydrophobicContact CE-CD2 4.38Å; M530-F569 HydrophobicContact CE-CE2 4.27Å; M530-K572 HydrophobicContact CE-CB 4.27Å; M530-K572 VanDerWaalsContact SD-C 3.55Å; M530-K572 HydrophobicContact SD-CB 4.21Å; M530-K572 VanDerWaalsContact SD-O 3.41Å; M530-L573 HydrophobicContact CE-CB 3.79Å; M530-L573 HydrophobicContact CE-CD1 4.33Å; M530-L573 HydrophobicContact SD-CB 4.33Å; M530-L573 HydrophobicContact SD-CD1 4.39Å; M530-T576 HydrophobicContact CG-CG2 4.22Å; M530-T576 HydrophobicContact SD-CG2 4.44Å; M530-T576 PolarHBondContact SD-OG1 3.12Å; M530-T576 VanDerWaalsContact SD-OG1 3.32Å
531	M	95.9	Very high	96.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-64.9	-52.5	177.2	-169.1	76.3	-177.1	0	0	112	V205 D217 V228 C527 I529 N535 I536 Y537	V205-M531 HydrophobicContact CG1-CE 3.92Å; D217-M531 HydrophobicContact CB-CE 3.58Å; D217-M531 VanDerWaalsContact OD1-CE 3.29Å; D217-M531 WeakPolarHBondContact OD1-CE 3.11Å; V228-M531 HydrophobicContact CB-CE 4.48Å; V228-M531 HydrophobicContact CG1-CE 4.05Å; V228-M531 HydrophobicContact CG1-SD 4.45Å; V228-M531 HydrophobicContact CG2-CE 3.96Å; C527-M531 VanDerWaalsContact O-CB 3.27Å; C527-M531 WeakPolarHBondContact O-CB 3.39Å; C527-M531 PolarHBondContact O-N 3.32Å; I529-M531 VanDerWaalsContact C-N 3.29Å; I529-M531 PolarHBondContact O-N 3.08Å; M531-N535 PolarHBondContact O-N 3.35Å; M531-I536 VanDerWaalsContact CA-O 3.31Å; M531-I536 WeakPolarHBondContact CA-O 3.39Å; M531-I536 PolarHBondContact N-O 3.46Å; M531-I536 VanDerWaalsContact N-O 3.13Å; M531-Y537 HydrophobicContact CE-CG 4.43Å; M531-Y537 VanDerWaalsContact SD-CB 3.52Å; M531-Y537 HydrophobicContact SD-CD2 3.77Å; M531-Y537 HydrophobicContact SD-CG 3.83Å
532	N	94.8	Very high	96.8	Very high	52 Å²	52	30.4 Å²	30.4	28%	0.278	15%	0.146	S	C	.	.	H	α-helix	trans	-85.9	-26.6	-165.9	-70.3	-59	0	0	0	115.2	R226 D528 I529	R226-N532 PolarHBondContact NH1-O 2.91Å; R226-N532 PolarHBondContact NH1-OD1 3.14Å; R226-N532 PolarHBondContact NH2-OD1 3.39Å; D528-N532 WeakPolarHBondContact O-CB 3.37Å; D528-N532 PolarHBondContact O-N 3.48Å; D528-N532 PolarHBondContact O-ND2 2.9Å; I529-N532 PolarHBondContact O-N 2.98Å
533	R	96	Very high	96.2	Very high	123 Å²	123	32 Å²	32	46%	0.464	15%	0.151	S	C	.	.	H	α-helix	trans	-111.1	-18.8	-176.1	-71.2	173.5	59.7	-152.4	-2.3	113.5	I529 E579	I529-R533 HydrophobicContact CG2-CB 4.49Å; I529-R533 WeakPolarHBondContact O-CB 3.49Å; I529-R533 PolarHBondContact O-N 3.32Å; R533-E579 IonicContact CZ-OE2 2.7Å; R533-E579 VanDerWaalsContact CZ-OE2 3.26Å; R533-E579 IonicContact NH1-OE2 3.53Å; R533-E579 PolarHBondContact NH1-OE2 2.88Å; R533-E579 IonicContact NH2-OE1 3.98Å; R533-E579 IonicContact NH2-OE2 3.42Å; R533-E579 PolarHBondContact NH2-OE2 3.28Å
534	H	97.9	Very high	95.6	Very high	13 Å²	13	36 Å²	36	6%	0.06	18%	0.177	C	C	.	.	H	α-helix	trans	-125.8	0.7	-174.1	-55.9	-40.2	0	0	0	113.9	M530 I536 Y568 K572 T576	M530-H534 CarbonylContact O-C 3.54Å; M530-H534 WeakPolarHBondContact O-CA 3.27Å; M530-H534 WeakPolarHBondContact O-CB 3.46Å; M530-H534 PolarHBondContact O-N 3.42Å; H534-I536 HydrophobicContact CB-CD1 4.08Å; H534-I536 PolarHBondContact O-N 1.75Å; H534-Y568 PolarHBondContact O-OH 3.43Å; H534-K572 HydrophobicContact CB-CB 4.05Å; H534-K572 HydrophobicContact CB-CG 4.09Å; H534-T576 PolarHBondContact CD2-OG1 3.49Å; H534-T576 PolarHBondContact NE2-OG1 2.93Å
535	N	97.9	Very high	94.8	Very high	74 Å²	74	36.3 Å²	36.3	40%	0.396	18%	0.179	S	C	.	.			trans	54.4	37.6	-179.7	-61.4	-14.2	0	0	0	112.9	E227 V228 S229 M530 M531	E227-N535 WeakPolarHBondContact O-CB 3.44Å; V228-N535 CarbonylContact C-O 3.41Å; V228-N535 VanDerWaalsContact CA-O 3.29Å; V228-N535 WeakPolarHBondContact CA-O 3.48Å; V228-N535 HydrophobicContact CG1-CB 4.14Å; S229-N535 PolarHBondContact N-O 3.03Å; S229-N535 PolarHBondContact OG-O 2.66Å; M530-N535 PolarHBondContact O-N 2.94Å; M531-N535 PolarHBondContact O-N 3.35Å
536	I	98.6	Very high	94.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	114.2	178.9	-69.7	161.9	0	0	0	108.9	W231 M530 M531 H534 V538 Y568 F569 K572	W231-I536 HydrophobicContact CG-CG2 4.41Å; M530-I536 CarbonylContact C-O 3.58Å; M530-I536 HydrophobicContact CB-CB 4.33Å; M530-I536 HydrophobicContact CB-CG2 4.42Å; M530-I536 HydrophobicContact CE-CB 4.02Å; M530-I536 HydrophobicContact CE-CD1 3.59Å; M530-I536 HydrophobicContact CE-CG1 4.41Å; M530-I536 HydrophobicContact CE-CG2 3.67Å; M530-I536 PolarHBondContact O-N 2.74Å; M531-I536 VanDerWaalsContact CA-O 3.31Å; M531-I536 WeakPolarHBondContact CA-O 3.39Å; M531-I536 PolarHBondContact N-O 3.46Å; M531-I536 VanDerWaalsContact N-O 3.13Å; H534-I536 HydrophobicContact CB-CD1 4.08Å; H534-I536 PolarHBondContact O-N 1.75Å; I536-V538 HydrophobicContact CG2-CG1 4.29Å; I536-V538 PolarHBondContact O-N 2.82Å; I536-Y568 HydrophobicContact CD1-CD1 3.9Å; I536-Y568 HydrophobicContact CD1-CE1 3.73Å; I536-Y568 HydrophobicContact CG1-CD1 4.47Å; I536-Y568 HydrophobicContact CG1-CE1 4.18Å; I536-F569 HydrophobicContact CD1-CD2 4.37Å; I536-F569 HydrophobicContact CG2-CD2 3.53Å; I536-F569 HydrophobicContact CG2-CE2 3.58Å; I536-K572 HydrophobicContact CD1-CB 3.89Å; I536-K572 HydrophobicContact CD1-CG 4.37Å
537	Y	98.6	Very high	93.4	Very high	32 Å²	32	36.8 Å²	36.8	13%	0.125	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	103.1	171.9	-176.1	-151.3	0	0	0	110.9	K203 V205 S229 V230 W231 M531 Q539	K203-Y537 HydrophobicContact CB-CE2 4.05Å; K203-Y537 HydrophobicContact CG-CD2 4.32Å; K203-Y537 HydrophobicContact CG-CE2 3.66Å; V205-Y537 HydrophobicContact CG1-CD1 4.2Å; V205-Y537 HydrophobicContact CG1-CE1 4.35Å; V205-Y537 HydrophobicContact CG2-CD1 4.26Å; V205-Y537 HydrophobicContact CG2-CE1 3.84Å; S229-Y537 PolarHBondContact O-N 3.45Å; V230-Y537 HydrophobicContact CG1-CD1 3.89Å; V230-Y537 HydrophobicContact CG2-CD1 4.21Å; W231-Y537 PolarHBondContact N-O 3.27Å; M531-Y537 HydrophobicContact CE-CG 4.43Å; M531-Y537 VanDerWaalsContact SD-CB 3.52Å; M531-Y537 HydrophobicContact SD-CD2 3.77Å; M531-Y537 HydrophobicContact SD-CG 3.83Å; Y537-Q539 HydrophobicContact CE2-CB 4.07Å; Y537-Q539 PolarHBondContact OH-OE1 3.34Å
538	V	98.3	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.			trans	-127.3	118	165.8	58.1	0	0	0	0	108.8	W231 C527 M530 I536 L553 I555 F569	W231-V538 HydrophobicContact CB-CB 4.41Å; C527-V538 PolarHBondContact SG-O 2.91Å; M530-V538 HydrophobicContact CB-CG1 4.25Å; M530-V538 HydrophobicContact CG-CG1 4.35Å; I536-V538 HydrophobicContact CG2-CG1 4.29Å; I536-V538 PolarHBondContact O-N 2.82Å; V538-L553 HydrophobicContact CG1-CD2 4.42Å; V538-L553 HydrophobicContact CG2-CB 4.18Å; V538-L553 HydrophobicContact CG2-CD2 4.31Å; V538-I555 HydrophobicContact CG2-CG1 3.97Å; V538-F569 HydrophobicContact CB-CE2 4.2Å; V538-F569 HydrophobicContact CB-CZ 4.49Å; V538-F569 HydrophobicContact CG1-CE2 4.22Å; V538-F569 HydrophobicContact CG1-CZ 4.46Å
539	Q	98	Very high	92.2	Very high	54 Å²	54	42.7 Å²	42.7	25%	0.252	22%	0.221	S	C	.	.			trans	-79.5	131	-172	179.6	57.8	58.9	0	0	112.4	C232 Y537 I541	C232-Q539 HydrophobicContact CB-CB 4.12Å; C232-Q539 PolarHBondContact SG-N 3.03Å; C232-Q539 VanDerWaalsContact SG-N 3.44Å; Y537-Q539 HydrophobicContact CE2-CB 4.07Å; Y537-Q539 PolarHBondContact OH-OE1 3.34Å; Q539-I541 HydrophobicContact CG-CD1 4.08Å; Q539-I541 PolarHBondContact O-N 2.74Å
540	A	97.3	Very high	91.7	Very high	8 Å²	8	45 Å²	45	7%	0.066	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	119.8	164.8	0	0	0	0	0	111.3	N523 C527	N523-A540 HydrophobicContact CB-CB 4.14Å; N523-A540 WeakPolarHBondContact O-CB 3.36Å; C527-A540 HydrophobicContact CB-CB 3.78Å
541	I	95.3	Very high	91.5	Very high	26 Å²	26	45.4 Å²	45.4	13%	0.133	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	110.2	174.6	-51.1	-57.1	0	0	0	109.6	M370 N523 Q539 T545 V546 E551 L552 R554	M370-I541 HydrophobicContact SD-CG2 3.92Å; N523-I541 PolarHBondContact ND2-N 3.28Å; N523-I541 PolarHBondContact ND2-O 3.29Å; N523-I541 VanDerWaalsContact ND2-O 3.16Å; Q539-I541 HydrophobicContact CG-CD1 4.08Å; Q539-I541 PolarHBondContact O-N 2.74Å; I541-T545 HydrophobicContact CG2-CG2 3.54Å; I541-V546 HydrophobicContact CG2-CG1 3.88Å; I541-V546 HydrophobicContact CG2-CG2 4.15Å; I541-V546 WeakPolarHBondContact O-CG2 3.48Å; I541-E551 WeakPolarHBondContact O-CA 3.39Å; I541-L552 WeakPolarHBondContact CA-O 3.3Å; I541-L552 HydrophobicContact CB-CD1 3.87Å; I541-L552 HydrophobicContact CB-CG 4.32Å; I541-L552 WeakPolarHBondContact CB-O 3.28Å; I541-L552 HydrophobicContact CG1-CD1 3.95Å; I541-L552 HydrophobicContact CG2-CD1 4.47Å; I541-L552 PolarHBondContact N-O 3.13Å; I541-L552 PolarHBondContact O-N 2.88Å; I541-L552 VanDerWaalsContact O-N 3.13Å; I541-R554 HydrophobicContact CD1-CB 4.4Å; I541-R554 HydrophobicContact CG1-CB 3.69Å
542	N	90.3	Very high	91.5	Very high	14 Å²	14	45.9 Å²	45.9	8%	0.075	24%	0.235	C	C	.	.			trans	-120.3	169.4	179.1	-60.6	-16.2	0	0	0	110.8	R200 A520 N523 T524 T545 E551	R200-N542 PolarHBondContact NH2-O 2.98Å; A520-N542 HydrophobicContact CB-CB 4.34Å; A520-N542 PolarHBondContact O-ND2 3.24Å; N523-N542 PolarHBondContact ND2-OD1 3.45Å; T524-N542 PolarHBondContact OG1-ND2 3.49Å; N542-T545 PolarHBondContact O-N 3.24Å; N542-T545 VanDerWaalsContact O-N 3.15Å; N542-E551 HydrophobicContact CB-CG 4.27Å
543	Y	84	Confident	91.6	Very high	97 Å²	97	43.4 Å²	43.4	38%	0.38	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	140.3	172.7	-179.2	-90.8	0	0	0	112.8	T198 V546 R548	T198-Y543 HydrophobicContact CG2-CD1 4.08Å; T198-Y543 HydrophobicContact CG2-CG 4.48Å; Y543-V546 WeakPolarHBondContact CA-O 3.38Å; Y543-R548 HydrophobicContact CD2-CG 4.15Å; Y543-R548 HydrophobicContact CG-CG 4.28Å
544	P	83.7	Confident	91.7	Very high	82 Å²	82	38 Å²	38	53%	0.532	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.4	15	4.3	38.2	-38.8	0	0	0	115.4
545	T	80.3	Confident	91.7	Very high	56 Å²	56	37.3 Å²	37.3	34%	0.344	20%	0.199	S	C	.	.	S	Bend	trans	-77	-28.6	180	-63.6	0	0	0	0	112.4	R200 M370 I541 N542	R200-T545 PolarHBondContact NH1-OG1 3.39Å; R200-T545 PolarHBondContact NH2-OG1 2.88Å; M370-T545 HydrophobicContact CE-CG2 3.85Å; M370-T545 HydrophobicContact CG-CG2 4.08Å; M370-T545 HydrophobicContact SD-CG2 3.56Å; M370-T545 VanDerWaalsContact SD-CG2 3.56Å; I541-T545 HydrophobicContact CG2-CG2 3.54Å; N542-T545 PolarHBondContact O-N 3.24Å; N542-T545 VanDerWaalsContact O-N 3.15Å
546	V	82.3	Confident	91.7	Very high	19 Å²	19	33.8 Å²	33.8	12%	0.115	18%	0.18	C	C	.	.	S	Bend	trans	-130.7	165.2	169.1	-67.5	0	0	0	0	108.9	M370 I541 Y543 E550 L552	M370-V546 HydrophobicContact CB-CG1 3.99Å; M370-V546 HydrophobicContact CG-CG1 4.01Å; I541-V546 HydrophobicContact CG2-CG1 3.88Å; I541-V546 HydrophobicContact CG2-CG2 4.15Å; I541-V546 WeakPolarHBondContact O-CG2 3.48Å; Y543-V546 WeakPolarHBondContact CA-O 3.38Å; V546-E550 HydrophobicContact CB-CB 4.41Å; V546-E550 WeakPolarHBondContact CG2-O 3.37Å; V546-L552 HydrophobicContact CG1-CD2 4.1Å; V546-L552 HydrophobicContact CG1-CG 4.42Å
547	A	82.6	Confident	91.7	Very high	60 Å²	60	33.8 Å²	33.8	50%	0.496	18%	0.18	S	C	.	.			trans	-65.3	161.4	173.7	0	0	0	0	0	111.7	E550	A547-E550 HydrophobicContact CB-CB 4.26Å; A547-E550 HydrophobicContact CB-CG 4.01Å; A547-E550 WeakPolarHBondContact O-CB 3.31Å; A547-E550 PolarHBondContact O-N 3.26Å; A547-E550 VanDerWaalsContact O-N 3.16Å
548	R	82.5	Confident	91.7	Very high	131 Å²	131	32.3 Å²	32.3	49%	0.494	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	135.7	174.2	-62.9	-179.5	178.7	-77.6	3.7	109.8	D196 Y543 E550 E551	D196-R548 IonicContact OD1-CZ 2.67Å; D196-R548 IonicContact OD1-NH1 3.54Å; D196-R548 PolarHBondContact OD1-NH1 2.84Å; D196-R548 IonicContact OD1-NH2 2.93Å; D196-R548 PolarHBondContact OD1-NH2 2.9Å; D196-R548 IonicContact OD2-CZ 3.54Å; D196-R548 IonicContact OD2-NH1 3.59Å; D196-R548 PolarHBondContact OD2-NH1 3.46Å; D196-R548 IonicContact OD2-NH2 3.26Å; D196-R548 PolarHBondContact OD2-NH2 3.38Å; Y543-R548 HydrophobicContact CD2-CG 4.15Å; Y543-R548 HydrophobicContact CG-CG 4.28Å; R548-E550 PolarHBondContact O-N 2.87Å; R548-E551 WeakPolarHBondContact CA-OE1 3.43Å
549	G	86	Confident	91.7	Very high	27 Å²	27	32.6 Å²	32.6	28%	0.278	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-5.4	-171.1	0	0	0	0	0	114	R516 A518 E551	R516-G549 PolarHBondContact NE-O 2.98Å; R516-G549 PolarHBondContact NH2-O 3.33Å; A518-G549 WeakPolarHBondContact CA-O 3.33Å; A518-G549 WeakPolarHBondContact CB-O 3.38Å; G549-E551 VanDerWaalsContact C-OE2 3.3Å; G549-E551 WeakPolarHBondContact CA-OE2 3.43Å; G549-E551 VanDerWaalsContact N-CD 3.3Å; G549-E551 PolarHBondContact N-OE1 3.49Å; G549-E551 VanDerWaalsContact N-OE1 3.07Å; G549-E551 PolarHBondContact N-OE2 3.18Å
550	E	87.9	Confident	91.7	Very high	75 Å²	75	32.5 Å²	32.5	35%	0.35	18%	0.175	S	C	.	.			trans	-106.5	18.5	172.7	-60.3	-60.2	150.8	0	0	111.5	R516 V546 A547 R548 L552	R516-E550 IonicContact CZ-OE1 2.69Å; R516-E550 IonicContact CZ-OE2 3.13Å; R516-E550 IonicContact NE-OE2 3.38Å; R516-E550 IonicContact NH1-OE1 3.83Å; R516-E550 PolarHBondContact NH1-OE1 2.97Å; R516-E550 IonicContact NH1-OE2 2.92Å; R516-E550 PolarHBondContact NH1-OE2 2.77Å; R516-E550 IonicContact NH2-OE1 2.82Å; R516-E550 PolarHBondContact NH2-OE1 3.28Å; R516-E550 IonicContact NH2-OE2 2.77Å; R516-E550 PolarHBondContact NH2-OE2 3.12Å; V546-E550 HydrophobicContact CB-CB 4.41Å; V546-E550 WeakPolarHBondContact CG2-O 3.37Å; A547-E550 HydrophobicContact CB-CB 4.26Å; A547-E550 HydrophobicContact CB-CG 4.01Å; A547-E550 WeakPolarHBondContact O-CB 3.31Å; A547-E550 PolarHBondContact O-N 3.26Å; A547-E550 VanDerWaalsContact O-N 3.16Å; R548-E550 PolarHBondContact O-N 2.87Å; E550-L552 PolarHBondContact O-N 3.47Å
551	E	93.3	Very high	91.8	Very high	9 Å²	9	32.2 Å²	32.2	4%	0.042	17%	0.172	C	C	.	.			trans	-60.6	134.5	177.6	-61.2	82.6	-174.9	0	0	111	V517 A518 N519 A520 N523 I541 N542 R548 G549	V517-E551 CarbonylContact C-O 3.44Å; V517-E551 WeakPolarHBondContact CA-O 3.36Å; V517-E551 PolarHBondContact N-O 2.92Å; A518-E551 PolarHBondContact N-O 3.4Å; N519-E551 PolarHBondContact N-OE2 2.88Å; A520-E551 HydrophobicContact CB-CG 4.02Å; N523-E551 HydrophobicContact CB-CB 4.38Å; I541-E551 WeakPolarHBondContact O-CA 3.39Å; N542-E551 HydrophobicContact CB-CG 4.27Å; R548-E551 WeakPolarHBondContact CA-OE1 3.43Å; G549-E551 VanDerWaalsContact C-OE2 3.3Å; G549-E551 WeakPolarHBondContact CA-OE2 3.43Å; G549-E551 VanDerWaalsContact N-CD 3.3Å; G549-E551 PolarHBondContact N-OE1 3.49Å; G549-E551 VanDerWaalsContact N-OE1 3.07Å; G549-E551 PolarHBondContact N-OE2 3.18Å
552	L	95.7	Very high	91.9	Very high	11 Å²	11	33.6 Å²	33.6	6%	0.058	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	156.9	-170.6	59.8	84.4	0	0	0	112.7	P514 I515 N523 I541 V546 E550 R554	P514-L552 HydrophobicContact CB-CD1 4.27Å; P514-L552 HydrophobicContact CB-CD2 4.08Å; I515-L552 CarbonylContact O-C 3.57Å; I515-L552 WeakPolarHBondContact O-CA 3.45Å; I515-L552 VanDerWaalsContact O-CB 3.3Å; I515-L552 WeakPolarHBondContact O-CB 3.35Å; N523-L552 PolarHBondContact ND2-N 3.18Å; N523-L552 PolarHBondContact ND2-O 3.45Å; N523-L552 PolarHBondContact OD1-O 2.98Å; I541-L552 WeakPolarHBondContact CA-O 3.3Å; I541-L552 HydrophobicContact CB-CD1 3.87Å; I541-L552 HydrophobicContact CB-CG 4.32Å; I541-L552 WeakPolarHBondContact CB-O 3.28Å; I541-L552 HydrophobicContact CG1-CD1 3.95Å; I541-L552 HydrophobicContact CG2-CD1 4.47Å; I541-L552 PolarHBondContact N-O 3.13Å; I541-L552 PolarHBondContact O-N 2.88Å; I541-L552 VanDerWaalsContact O-N 3.13Å; V546-L552 HydrophobicContact CG1-CD2 4.1Å; V546-L552 HydrophobicContact CG1-CG 4.42Å; E550-L552 PolarHBondContact O-N 3.47Å; L552-R554 HydrophobicContact CD1-CB 3.77Å
553	L	97.8	Very high	92.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.7	158.9	-64.3	173	0	0	0	107.8	P514 I515 V517 N523 V526 V538 L573 W577	P514-L553 CarbonylContact C-O 3.59Å; P514-L553 WeakPolarHBondContact CA-O 3.41Å; I515-L553 HydrophobicContact CB-CB 4.43Å; I515-L553 PolarHBondContact N-O 3.37Å; I515-L553 PolarHBondContact O-N 3.22Å; V517-L553 HydrophobicContact CG2-CG 4.24Å; N523-L553 VanDerWaalsContact OD1-CD2 3.28Å; N523-L553 WeakPolarHBondContact OD1-CD2 3.42Å; V526-L553 HydrophobicContact CG1-CD1 3.8Å; V538-L553 HydrophobicContact CG1-CD2 4.42Å; V538-L553 HydrophobicContact CG2-CB 4.18Å; V538-L553 HydrophobicContact CG2-CD2 4.31Å; L553-L573 HydrophobicContact CD1-CD1 3.73Å; L553-W577 HydrophobicContact CD1-CZ3 4.31Å
554	R	97.6	Very high	92.8	Very high	9 Å²	9	35.6 Å²	35.6	3%	0.034	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	105.9	177.5	-173.7	-178.4	175.5	-78	0.1	110.3	N234 Y236 S369 H397 I512 I541 L552	N234-R554 PolarHBondContact OD1-NH1 3.42Å; Y236-R554 PolarHBondContact OH-NH2 2.56Å; S369-R554 PolarHBondContact O-NE 3.41Å; S369-R554 PolarHBondContact O-NH2 3.04Å; H397-R554 PolarHBondContact CE1-NH2 3.19Å; H397-R554 PolarHBondContact ND1-NH2 3.14Å; I512-R554 VanDerWaalsContact CD1-NH2 3.28Å; I512-R554 HydrophobicContact CG2-CG 3.86Å; I541-R554 HydrophobicContact CD1-CB 4.4Å; I541-R554 HydrophobicContact CG1-CB 3.69Å; L552-R554 HydrophobicContact CD1-CB 3.77Å
555	I	98.3	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	136.8	179.8	-51.5	162.5	0	0	0	109.1	W231 L494 L498 I513 I515 V538 F569	W231-I555 HydrophobicContact CB-CG2 4.45Å; W231-I555 HydrophobicContact CE3-CG2 4.3Å; L494-I555 HydrophobicContact CD2-CG2 3.84Å; L498-I555 HydrophobicContact CD1-CD1 3.89Å; I513-I555 HydrophobicContact CB-CB 4.26Å; I513-I555 PolarHBondContact N-O 2.73Å; I513-I555 WeakPolarHBondContact O-CB 3.39Å; I513-I555 PolarHBondContact O-N 3.05Å; I515-I555 HydrophobicContact CD1-CD1 3.43Å; I515-I555 VanDerWaalsContact CD1-CD1 3.43Å; I515-I555 HydrophobicContact CG1-CD1 4.01Å; V538-I555 HydrophobicContact CG2-CG1 3.97Å; I555-F569 HydrophobicContact CD1-CE1 3.58Å; I555-F569 HydrophobicContact CD1-CZ 3.58Å; I555-F569 HydrophobicContact CG1-CE1 4.31Å; I555-F569 HydrophobicContact CG1-CZ 3.85Å; I555-F569 HydrophobicContact CG2-CZ 4.33Å
556	A	98.1	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.			trans	-134.1	82.4	178.8	0	0	0	0	0	108.2	W231 S233 Y236	W231-A556 PolarHBondContact O-N 2.99Å; S233-A556 WeakPolarHBondContact O-CB 3.44Å; Y236-A556 HydrophobicContact CD1-CB 4.04Å; Y236-A556 HydrophobicContact CE1-CB 3.79Å
557	P	97.9	Very high	95.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.179	C	C	.	.			trans	-64.9	164	173.9	31.3	-33.8	0	0	0	109.9	H487 V491 L494 I513	H487-P557 PolarHBondContact CD2-O 2.95Å; H487-P557 PolarHBondContact NE2-O 2.9Å; V491-P557 HydrophobicContact CB-CG 4.37Å; V491-P557 HydrophobicContact CG2-CG 3.79Å; L494-P557 HydrophobicContact CD2-CB 3.78Å; L494-P557 HydrophobicContact CD2-CG 3.99Å; I513-P557 HydrophobicContact CD1-CG 4.01Å
558	T	98.7	Very high	95.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	17%	0.174	C	C	.	.			trans	-137.6	166.7	-175.6	71.8	0	0	0	0	109.3	F212 Y236 N490 H560 H561	F212-T558 HydrophobicContact CE1-CG2 4.36Å; F212-T558 HydrophobicContact CZ-CG2 4.08Å; Y236-T558 WeakPolarHBondContact O-CA 3.3Å; Y236-T558 WeakPolarHBondContact O-CB 3.45Å; Y236-T558 VanDerWaalsContact O-CG2 3.28Å; Y236-T558 WeakPolarHBondContact O-CG2 3.21Å; N490-T558 PolarHBondContact ND2-O 3.41Å; T558-H560 PolarHBondContact O-N 2.73Å; T558-H560 PolarHBondContact OG1-N 2.71Å; T558-H561 PolarHBondContact N-ND1 3.19Å; T558-H561 VanDerWaalsContact N-ND1 3.2Å; T558-H561 PolarHBondContact O-N 2.86Å; T558-H561 PolarHBondContact OG1-ND1 3.48Å
559	P	98.4	Very high	96.6	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.032	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-14	171.1	-28	35.9	0	0	0	115.6	Y236 L237 L483 K486 H487	Y236-P559 WeakPolarHBondContact O-CD 3.26Å; L237-P559 HydrophobicContact CD2-CG 3.82Å; L483-P559 HydrophobicContact CD2-CB 4.11Å; L483-P559 HydrophobicContact CD2-CG 4.14Å; L483-P559 WeakPolarHBondContact O-CG 3.47Å; K486-P559 HydrophobicContact CB-CB 4.13Å; K486-P559 HydrophobicContact CD-CB 4.05Å; K486-P559 VanDerWaalsContact CE-O 3.23Å; K486-P559 WeakPolarHBondContact CE-O 3.2Å; K486-P559 HydrophobicContact CG-CB 3.94Å; H487-P559 HydrophobicContact CB-CG 3.82Å
560	H	98.2	Very high	97.2	Very high	52 Å²	52	29.7 Å²	29.7	24%	0.241	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-5.6	-172.1	-50.6	-85	0	0	0	113.3	F212 L237 R241 T558	F212-H560 HydrophobicContact CD1-CB 3.64Å; F212-H560 AromaticContact CD1-CD2 3.73Å; F212-H560 AromaticContact CD1-CG 3.73Å; F212-H560 HydrophobicContact CE1-CB 3.78Å; F212-H560 AromaticContact CE1-CD2 3.47Å; F212-H560 VanDerWaalsContact CE1-CD2 3.47Å; F212-H560 WeakPolarHBondContact CE1-CD2 3.36Å; F212-H560 AromaticContact CE1-CG 3.84Å; L237-H560 PolarHBondContact O-CD2 2.99Å; L237-H560 PolarHBondContact O-NE2 2.84Å; R241-H560 PolarHBondContact NH2-CE1 2.69Å; R241-H560 PolarHBondContact NH2-ND1 3.34Å; T558-H560 PolarHBondContact O-N 2.73Å; T558-H560 PolarHBondContact OG1-N 2.71Å
561	H	98.6	Very high	97.7	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	15%	0.145	C	C	.	.	S	Bend	trans	-76.2	120.6	164.1	-71.3	92	0	0	0	108.1	P213 V230 W231 N490 T558 M566	P213-H561 WeakPolarHBondContact CG-NE2 3.34Å; V230-H561 PolarHBondContact O-CE1 3.42Å; V230-H561 PolarHBondContact O-NE2 3.11Å; W231-H561 AromaticContact CD2-CD2 3.62Å; W231-H561 AromaticContact CD2-NE2 3.57Å; W231-H561 AromaticContact CE2-CD2 3.54Å; W231-H561 AromaticContact CE2-NE2 3.79Å; W231-H561 AromaticContact CE3-CD2 3.54Å; W231-H561 AromaticContact CE3-NE2 3.72Å; W231-H561 AromaticContact CG-NE2 4Å; W231-H561 HydrophobicContact CH2-CB 4.01Å; W231-H561 AromaticContact CH2-CD2 3.36Å; W231-H561 WeakPolarHBondContact CH2-CD2 3.49Å; W231-H561 AromaticContact CH2-CG 3.93Å; W231-H561 AromaticContact CZ2-CD2 3.45Å; W231-H561 VanDerWaalsContact CZ2-CD2 3.45Å; W231-H561 WeakPolarHBondContact CZ2-CD2 3.43Å; W231-H561 HydrophobicContact CZ3-CB 4.02Å; W231-H561 AromaticContact CZ3-CD2 3.39Å; W231-H561 WeakPolarHBondContact CZ3-CD2 3.37Å; W231-H561 AromaticContact CZ3-CG 3.76Å; N490-H561 PolarHBondContact ND2-O 3.35Å; T558-H561 PolarHBondContact N-ND1 3.19Å; T558-H561 VanDerWaalsContact N-ND1 3.2Å; T558-H561 PolarHBondContact O-N 2.86Å; T558-H561 PolarHBondContact OG1-ND1 3.48Å; H561-M566 HydrophobicContact CB-CE 4.38Å; H561-M566 WeakPolarHBondContact O-CE 3.49Å
562	T	97.6	Very high	98	Very high	56 Å²	56	32.4 Å²	32.4	34%	0.344	15%	0.153	S	C	.	.			trans	-83.2	161.9	-179.4	81.1	0	0	0	0	111.6	E564 M565 M566	T562-E564 WeakPolarHBondContact CB-OE2 3.07Å; T562-E564 PolarHBondContact O-N 2.89Å; T562-E564 PolarHBondContact OG1-N 3.45Å; T562-E564 PolarHBondContact OG1-OE2 3.11Å; T562-M565 HydrophobicContact CG2-SD 4.23Å; T562-M565 WeakPolarHBondContact O-CB 2.87Å; T562-M565 PolarHBondContact O-N 3.23Å; T562-M565 VanDerWaalsContact O-N 3.12Å; T562-M565 WeakPolarHBondContact OG1-CG 3.22Å; T562-M565 PolarHBondContact OG1-N 2.87Å; T562-M566 WeakPolarHBondContact O-CG 3.4Å; T562-M566 PolarHBondContact O-N 3.04Å
563	P	95.8	Very high	98.1	Very high	21 Å²	21	31.9 Å²	31.9	14%	0.136	15%	0.15	C	C	.	.	H	α-helix	trans	-57	-33.3	175.3	-25.3	36.2	0	0	0	113.5	L493 M566 K567 F612 L615	L493-P563 HydrophobicContact CD2-CB 4.31Å; L493-P563 HydrophobicContact CD2-CG 4.39Å; P563-M566 PolarHBondContact O-N 3.22Å; P563-K567 WeakPolarHBondContact O-CB 3.23Å; P563-K567 PolarHBondContact O-N 3.01Å; P563-F612 HydrophobicContact CG-CE1 4.2Å; P563-L615 HydrophobicContact CB-CD1 3.94Å
564	E	97.4	Very high	98.1	Very high	131 Å²	131	33 Å²	33	61%	0.612	16%	0.157	S	C	*	.	H	α-helix	trans	-68.2	-41.9	176.3	-54.3	70	-149.1	0	0	111.1	T562 M566 K567 Y568	T562-E564 WeakPolarHBondContact CB-OE2 3.07Å; T562-E564 PolarHBondContact O-N 2.89Å; T562-E564 PolarHBondContact OG1-N 3.45Å; T562-E564 PolarHBondContact OG1-OE2 3.11Å; E564-M566 VanDerWaalsContact C-N 3.34Å; E564-K567 PolarHBondContact O-N 2.99Å; E564-Y568 WeakPolarHBondContact O-CB 3.21Å; E564-Y568 PolarHBondContact O-N 2.63Å
565	M	98.4	Very high	98.2	Very high	43 Å²	43	35.8 Å²	35.8	21%	0.212	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-42.1	172.9	-63.1	179.1	76.4	0	0	111.2	P213 M214 W231 T562 Y568 F569	P213-M565 HydrophobicContact CG-CE 3.83Å; M214-M565 HydrophobicContact SD-CE 4.05Å; W231-M565 HydrophobicContact CH2-CB 4.05Å; W231-M565 HydrophobicContact CZ2-CB 3.88Å; W231-M565 WeakPolarHBondContact CZ2-O 3.29Å; T562-M565 HydrophobicContact CG2-SD 4.23Å; T562-M565 WeakPolarHBondContact O-CB 2.87Å; T562-M565 PolarHBondContact O-N 3.23Å; T562-M565 VanDerWaalsContact O-N 3.12Å; T562-M565 WeakPolarHBondContact OG1-CG 3.22Å; T562-M565 PolarHBondContact OG1-N 2.87Å; M565-Y568 PolarHBondContact O-N 3.39Å; M565-F569 VanDerWaalsContact O-CB 3.31Å; M565-F569 WeakPolarHBondContact O-CB 3.44Å; M565-F569 PolarHBondContact O-N 3.1Å
566	M	98.6	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.3	-45.1	176.7	-68.4	-179.9	-137.8	0	0	111.4	W231 N490 L493 L494 M497 H561 T562 P563 E564 F569 V570	W231-M566 HydrophobicContact CH2-CB 4.39Å; W231-M566 HydrophobicContact CH2-CG 3.91Å; W231-M566 HydrophobicContact CZ3-CG 4.1Å; N490-M566 HydrophobicContact CB-CE 3.67Å; N490-M566 VanDerWaalsContact CG-CE 3.48Å; L493-M566 HydrophobicContact CB-SD 4.46Å; L493-M566 HydrophobicContact CD2-CE 4.44Å; L493-M566 HydrophobicContact CD2-SD 3.92Å; L493-M566 HydrophobicContact CG-SD 4.22Å; L494-M566 HydrophobicContact CB-CG 4.39Å; L494-M566 HydrophobicContact CB-SD 3.89Å; L494-M566 HydrophobicContact CD1-CB 4.08Å; L494-M566 HydrophobicContact CD1-CG 4.21Å; M497-M566 HydrophobicContact CE-CB 4.42Å; M497-M566 HydrophobicContact SD-CB 4.13Å; H561-M566 HydrophobicContact CB-CE 4.38Å; H561-M566 WeakPolarHBondContact O-CE 3.49Å; T562-M566 WeakPolarHBondContact O-CG 3.4Å; T562-M566 PolarHBondContact O-N 3.04Å; P563-M566 PolarHBondContact O-N 3.22Å; E564-M566 VanDerWaalsContact C-N 3.34Å; M566-F569 WeakPolarHBondContact O-CB 3.37Å; M566-F569 PolarHBondContact O-N 3.41Å; M566-V570 VanDerWaalsContact O-CG2 3.31Å; M566-V570 WeakPolarHBondContact O-CG2 3.5Å; M566-V570 PolarHBondContact O-N 3.49Å
567	K	97.8	Very high	98.1	Very high	97 Å²	97	36 Å²	36	42%	0.422	17%	0.171	S	C	.	.	H	α-helix	trans	-59.1	-49.8	176.2	-179.1	171	176.3	172.1	0	111.6	M497 P563 E564 F569 V570 E571 L615	M497-K567 HydrophobicContact CE-CB 3.9Å; P563-K567 WeakPolarHBondContact O-CB 3.23Å; P563-K567 PolarHBondContact O-N 3.01Å; E564-K567 PolarHBondContact O-N 2.99Å; K567-F569 VanDerWaalsContact C-N 3.32Å; K567-F569 PolarHBondContact O-N 2.89Å; K567-V570 PolarHBondContact O-N 3.48Å; K567-E571 WeakPolarHBondContact CE-OE1 3.4Å; K567-E571 HydrophobicContact CG-CG 4.49Å; K567-E571 WeakPolarHBondContact CG-OE1 3.45Å; K567-E571 WeakPolarHBondContact O-CB 3.41Å; K567-E571 WeakPolarHBondContact O-CG 3.25Å; K567-E571 PolarHBondContact O-N 3.01Å; K567-L615 HydrophobicContact CD-CD2 4.31Å
568	Y	98.5	Very high	98.1	Very high	98 Å²	98	42.3 Å²	42.3	38%	0.384	20%	0.199	S	C	.	.	H	α-helix	trans	-59.8	-42.2	176.1	-178.5	-99.6	0	0	0	112.1	H534 I536 E564 M565 K572	H534-Y568 PolarHBondContact O-OH 3.43Å; I536-Y568 HydrophobicContact CD1-CD1 3.9Å; I536-Y568 HydrophobicContact CD1-CE1 3.73Å; I536-Y568 HydrophobicContact CG1-CD1 4.47Å; I536-Y568 HydrophobicContact CG1-CE1 4.18Å; E564-Y568 WeakPolarHBondContact O-CB 3.21Å; E564-Y568 PolarHBondContact O-N 2.63Å; M565-Y568 PolarHBondContact O-N 3.39Å; Y568-K572 HydrophobicContact CD1-CG 4.36Å; Y568-K572 HydrophobicContact CD2-CG 4.25Å; Y568-K572 HydrophobicContact CE1-CG 3.96Å; Y568-K572 HydrophobicContact CE2-CD 4.38Å; Y568-K572 HydrophobicContact CE2-CG 3.86Å; Y568-K572 HydrophobicContact CG-CG 4.49Å; Y568-K572 WeakPolarHBondContact O-CB 3.45Å; Y568-K572 WeakPolarHBondContact O-CG 3.44Å; Y568-K572 PolarHBondContact O-N 3.25Å
569	F	98.8	Very high	98	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.4	-50.2	175.8	176.9	-84.9	0	0	0	112	W231 L494 L498 M530 I536 V538 I555 M565 M566 K567 K572 L573	W231-F569 HydrophobicContact CB-CD2 4.33Å; W231-F569 HydrophobicContact CB-CE2 3.87Å; W231-F569 AromaticContact CD1-CD2 3.74Å; W231-F569 HydrophobicContact CD2-CB 4.45Å; W231-F569 AromaticContact CD2-CD2 3.43Å; W231-F569 HydrophobicContact CD2-CD2 3.43Å; W231-F569 VanDerWaalsContact CD2-CD2 3.43Å; W231-F569 AromaticContact CD2-CE2 3.87Å; W231-F569 HydrophobicContact CD2-CE2 3.87Å; W231-F569 HydrophobicContact CD2-CG 4.02Å; W231-F569 AromaticContact CE2-CD2 3.49Å; W231-F569 VanDerWaalsContact CE2-CD2 3.49Å; W231-F569 AromaticContact CE2-CG 3.97Å; W231-F569 HydrophobicContact CE3-CD2 4.01Å; W231-F569 HydrophobicContact CE3-CE2 4.38Å; W231-F569 HydrophobicContact CE3-CG 4.22Å; W231-F569 AromaticContact CG-CD2 3.57Å; W231-F569 HydrophobicContact CG-CD2 3.57Å; W231-F569 AromaticContact CG-CE2 3.63Å; W231-F569 HydrophobicContact CG-CE2 3.63Å; W231-F569 HydrophobicContact CH2-CB 3.89Å; W231-F569 HydrophobicContact CH2-CG 4.31Å; W231-F569 HydrophobicContact CZ2-CB 3.61Å; W231-F569 HydrophobicContact CZ2-CD2 4.09Å; W231-F569 HydrophobicContact CZ2-CG 4.09Å; W231-F569 HydrophobicContact CZ3-CB 4.41Å; W231-F569 HydrophobicContact CZ3-CG 4.37Å; W231-F569 AromaticContact NE1-CD2 3.66Å; L494-F569 HydrophobicContact CD1-CD1 4.25Å; L498-F569 HydrophobicContact CD2-CE1 4.2Å; M530-F569 HydrophobicContact CE-CD2 4.38Å; M530-F569 HydrophobicContact CE-CE2 4.27Å; I536-F569 HydrophobicContact CD1-CD2 4.37Å; I536-F569 HydrophobicContact CG2-CD2 3.53Å; I536-F569 HydrophobicContact CG2-CE2 3.58Å; V538-F569 HydrophobicContact CB-CE2 4.2Å; V538-F569 HydrophobicContact CB-CZ 4.49Å; V538-F569 HydrophobicContact CG1-CE2 4.22Å; V538-F569 HydrophobicContact CG1-CZ 4.46Å; I555-F569 HydrophobicContact CD1-CE1 3.58Å; I555-F569 HydrophobicContact CD1-CZ 3.58Å; I555-F569 HydrophobicContact CG1-CE1 4.31Å; I555-F569 HydrophobicContact CG1-CZ 3.85Å; I555-F569 HydrophobicContact CG2-CZ 4.33Å; M565-F569 VanDerWaalsContact O-CB 3.31Å; M565-F569 WeakPolarHBondContact O-CB 3.44Å; M565-F569 PolarHBondContact O-N 3.1Å; M566-F569 WeakPolarHBondContact O-CB 3.37Å; M566-F569 PolarHBondContact O-N 3.41Å; K567-F569 VanDerWaalsContact C-N 3.32Å; K567-F569 PolarHBondContact O-N 2.89Å; F569-K572 PolarHBondContact O-N 3.48Å; F569-L573 HydrophobicContact CE1-CB 4.45Å; F569-L573 HydrophobicContact CE1-CD2 3.75Å; F569-L573 HydrophobicContact CZ-CD2 4.09Å; F569-L573 VanDerWaalsContact O-CB 3.26Å; F569-L573 WeakPolarHBondContact O-CB 3.46Å; F569-L573 PolarHBondContact O-N 3.14Å
570	V	98.5	Very high	97.8	Very high	13 Å²	13	46.3 Å²	46.3	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-46.7	-179.2	175.9	0	0	0	0	110.7	L494 M497 L498 A501 M566 K567 K572 L573 V574	L494-V570 HydrophobicContact CD1-CG2 3.7Å; M497-V570 HydrophobicContact CB-CG2 3.98Å; L498-V570 HydrophobicContact CD2-CG1 4.49Å; L498-V570 HydrophobicContact CD2-CG2 3.77Å; L498-V570 HydrophobicContact CG-CG2 4.05Å; A501-V570 HydrophobicContact CB-CG1 3.86Å; M566-V570 VanDerWaalsContact O-CG2 3.31Å; M566-V570 WeakPolarHBondContact O-CG2 3.5Å; M566-V570 PolarHBondContact O-N 3.49Å; K567-V570 PolarHBondContact O-N 3.48Å; V570-K572 VanDerWaalsContact C-N 3.35Å; V570-K572 PolarHBondContact O-N 3.16Å; V570-L573 PolarHBondContact O-N 2.92Å; V570-V574 HydrophobicContact CG1-CG2 4.3Å; V570-V574 WeakPolarHBondContact O-CB 3.48Å; V570-V574 VanDerWaalsContact O-CG2 3.24Å; V570-V574 WeakPolarHBondContact O-CG2 3.42Å; V570-V574 PolarHBondContact O-N 3.3Å
571	E	98.3	Very high	97.7	Very high	94 Å²	94	47.1 Å²	47.1	44%	0.439	24%	0.239	S	C	.	.	H	α-helix	trans	-56.8	-45.5	177.2	-74.5	175.7	-170.8	0	0	112.3	K567 Q575	K567-E571 WeakPolarHBondContact CE-OE1 3.4Å; K567-E571 HydrophobicContact CG-CG 4.49Å; K567-E571 WeakPolarHBondContact CG-OE1 3.45Å; K567-E571 WeakPolarHBondContact O-CB 3.41Å; K567-E571 WeakPolarHBondContact O-CG 3.25Å; K567-E571 PolarHBondContact O-N 3.01Å; E571-Q575 WeakPolarHBondContact O-CB 3.35Å; E571-Q575 PolarHBondContact O-N 2.77Å
572	K	98.7	Very high	97.5	Very high	47 Å²	47	48.5 Å²	48.5	20%	0.204	25%	0.247	C	C	.	.	H	α-helix	trans	-75.4	-32.3	-179.8	-65.6	-40.1	-176.2	-165.3	0	113.7	M530 H534 I536 Y568 F569 V570 T576	M530-K572 HydrophobicContact CE-CB 4.27Å; M530-K572 VanDerWaalsContact SD-C 3.55Å; M530-K572 HydrophobicContact SD-CB 4.21Å; M530-K572 VanDerWaalsContact SD-O 3.41Å; H534-K572 HydrophobicContact CB-CB 4.05Å; H534-K572 HydrophobicContact CB-CG 4.09Å; I536-K572 HydrophobicContact CD1-CB 3.89Å; I536-K572 HydrophobicContact CD1-CG 4.37Å; Y568-K572 HydrophobicContact CD1-CG 4.36Å; Y568-K572 HydrophobicContact CD2-CG 4.25Å; Y568-K572 HydrophobicContact CE1-CG 3.96Å; Y568-K572 HydrophobicContact CE2-CD 4.38Å; Y568-K572 HydrophobicContact CE2-CG 3.86Å; Y568-K572 HydrophobicContact CG-CG 4.49Å; Y568-K572 WeakPolarHBondContact O-CB 3.45Å; Y568-K572 WeakPolarHBondContact O-CG 3.44Å; Y568-K572 PolarHBondContact O-N 3.25Å; F569-K572 PolarHBondContact O-N 3.48Å; V570-K572 VanDerWaalsContact C-N 3.35Å; V570-K572 PolarHBondContact O-N 3.16Å; K572-T576 WeakPolarHBondContact O-CB 3.34Å; K572-T576 PolarHBondContact O-N 3.18Å; K572-T576 PolarHBondContact O-OG1 3.48Å
573	L	98.5	Very high	97.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-46.9	172.2	-177.5	57.5	0	0	0	110.9	L498 L503 I515 V526 M530 L553 F569 V570 Q575 T576 W577	L498-L573 HydrophobicContact CD2-CD2 3.98Å; L503-L573 HydrophobicContact CD1-CD2 3.79Å; L503-L573 HydrophobicContact CD1-CG 4.05Å; L503-L573 HydrophobicContact CD2-CG 4.48Å; I515-L573 HydrophobicContact CD1-CD2 3.62Å; V526-L573 HydrophobicContact CG1-CD1 3.83Å; M530-L573 HydrophobicContact CE-CB 3.79Å; M530-L573 HydrophobicContact CE-CD1 4.33Å; M530-L573 HydrophobicContact SD-CB 4.33Å; M530-L573 HydrophobicContact SD-CD1 4.39Å; L553-L573 HydrophobicContact CD1-CD1 3.73Å; F569-L573 HydrophobicContact CE1-CB 4.45Å; F569-L573 HydrophobicContact CE1-CD2 3.75Å; F569-L573 HydrophobicContact CZ-CD2 4.09Å; F569-L573 VanDerWaalsContact O-CB 3.26Å; F569-L573 WeakPolarHBondContact O-CB 3.46Å; F569-L573 PolarHBondContact O-N 3.14Å; V570-L573 PolarHBondContact O-N 2.92Å; L573-Q575 VanDerWaalsContact C-N 3.34Å; L573-Q575 PolarHBondContact O-N 3.16Å; L573-T576 PolarHBondContact O-N 2.94Å; L573-W577 HydrophobicContact CD1-CE3 4.33Å; L573-W577 VanDerWaalsContact O-CB 3.23Å; L573-W577 WeakPolarHBondContact O-CB 3.18Å; L573-W577 PolarHBondContact O-N 3.33Å
574	V	98.1	Very high	97	Very high	23 Å²	23	50.4 Å²	50.4	14%	0.139	27%	0.267	C	S	.	.	H	α-helix	trans	-60.6	-42.4	176.6	170.8	0	0	0	0	111.9	A501 L503 V570 K578 L584	A501-V574 HydrophobicContact CB-CG2 3.68Å; L503-V574 HydrophobicContact CD1-CG2 4.04Å; L503-V574 HydrophobicContact CG-CG2 4.36Å; V570-V574 HydrophobicContact CG1-CG2 4.3Å; V570-V574 WeakPolarHBondContact O-CB 3.48Å; V570-V574 VanDerWaalsContact O-CG2 3.24Å; V570-V574 WeakPolarHBondContact O-CG2 3.42Å; V570-V574 PolarHBondContact O-N 3.3Å; V574-K578 HydrophobicContact CG1-CD 4.46Å; V574-K578 WeakPolarHBondContact O-CG 3.27Å; V574-K578 PolarHBondContact O-N 2.85Å; V574-L584 HydrophobicContact CG1-CD1 4.25Å
575	Q	98	Very high	96.1	Very high	68 Å²	68	51.5 Å²	51.5	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-58.1	-54	173.9	177.8	176.6	-6	0	0	110.6	E571 L573 W577 K578 E579	E571-Q575 WeakPolarHBondContact O-CB 3.35Å; E571-Q575 PolarHBondContact O-N 2.77Å; L573-Q575 VanDerWaalsContact C-N 3.34Å; L573-Q575 PolarHBondContact O-N 3.16Å; Q575-W577 VanDerWaalsContact C-N 3.33Å; Q575-W577 PolarHBondContact O-N 2.85Å; Q575-K578 PolarHBondContact O-N 3.29Å; Q575-E579 VanDerWaalsContact CG-OE1 3.23Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.44Å; Q575-E579 PolarHBondContact NE2-OE1 2.92Å; Q575-E579 WeakPolarHBondContact O-CG 3.45Å; Q575-E579 PolarHBondContact O-N 3.4Å
576	T	98.2	Very high	94.7	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-38.8	-179.2	-58.9	0	0	0	0	112.7	V526 I529 M530 H534 K572 L573 E579 S580	V526-T576 HydrophobicContact CB-CG2 4.18Å; V526-T576 HydrophobicContact CG1-CG2 3.86Å; V526-T576 HydrophobicContact CG2-CG2 4.25Å; I529-T576 HydrophobicContact CB-CG2 3.59Å; I529-T576 HydrophobicContact CD1-CG2 4.09Å; I529-T576 HydrophobicContact CG1-CG2 4.45Å; I529-T576 HydrophobicContact CG2-CG2 3.49Å; I529-T576 VanDerWaalsContact CG2-CG2 3.49Å; M530-T576 HydrophobicContact CG-CG2 4.22Å; M530-T576 HydrophobicContact SD-CG2 4.44Å; M530-T576 PolarHBondContact SD-OG1 3.12Å; M530-T576 VanDerWaalsContact SD-OG1 3.32Å; H534-T576 PolarHBondContact CD2-OG1 3.49Å; H534-T576 PolarHBondContact NE2-OG1 2.93Å; K572-T576 WeakPolarHBondContact O-CB 3.34Å; K572-T576 PolarHBondContact O-N 3.18Å; K572-T576 PolarHBondContact O-OG1 3.48Å; L573-T576 PolarHBondContact O-N 2.94Å; T576-E579 PolarHBondContact O-N 3.04Å; T576-S580 WeakPolarHBondContact O-CB 3.35Å; T576-S580 PolarHBondContact O-N 2.97Å; T576-S580 PolarHBondContact O-OG 3.41Å
577	W	97.6	Very high	93.1	Very high	6 Å²	6	57.2 Å²	57.2	2%	0.023	31%	0.306	C	S	.	.	H	α-helix	trans	-59.7	-48.6	179.4	-162.2	-92.5	0	0	0	111.1	L503 P504 I515 V517 L553 L573 Q575 S580 G581 L582 G583 L584	L503-W577 HydrophobicContact CD2-CB 4.19Å; L503-W577 HydrophobicContact CD2-CD2 3.57Å; L503-W577 HydrophobicContact CD2-CE3 3.85Å; L503-W577 HydrophobicContact CD2-CG 3.73Å; L503-W577 HydrophobicContact CD2-CZ3 4.49Å; P504-W577 HydrophobicContact CG-CH2 3.83Å; P504-W577 HydrophobicContact CG-CZ2 3.42Å; P504-W577 VanDerWaalsContact CG-CZ2 3.42Å; I515-W577 HydrophobicContact CG2-CH2 3.72Å; I515-W577 HydrophobicContact CG2-CZ3 3.83Å; V517-W577 HydrophobicContact CB-CH2 4.43Å; V517-W577 HydrophobicContact CG2-CH2 3.74Å; V517-W577 HydrophobicContact CG2-CZ3 3.85Å; L553-W577 HydrophobicContact CD1-CZ3 4.31Å; L573-W577 HydrophobicContact CD1-CE3 4.33Å; L573-W577 VanDerWaalsContact O-CB 3.23Å; L573-W577 WeakPolarHBondContact O-CB 3.18Å; L573-W577 PolarHBondContact O-N 3.33Å; Q575-W577 VanDerWaalsContact C-N 3.33Å; Q575-W577 PolarHBondContact O-N 2.85Å; W577-S580 PolarHBondContact O-N 2.82Å; W577-G581 PolarHBondContact O-N 3.32Å; W577-L582 HydrophobicContact CD2-CB 3.93Å; W577-L582 HydrophobicContact CD2-CD1 3.82Å; W577-L582 HydrophobicContact CE3-CD1 3.92Å; W577-L582 HydrophobicContact CG-CB 3.88Å; W577-L582 HydrophobicContact CG-CD1 4.39Å; W577-L582 HydrophobicContact CH2-CD1 4.09Å; W577-L582 HydrophobicContact CZ2-CB 4.15Å; W577-L582 HydrophobicContact CZ2-CD1 3.98Å; W577-L582 HydrophobicContact CZ3-CD1 4.07Å; W577-L582 VanDerWaalsContact NE1-CB 3.32Å; W577-L582 WeakPolarHBondContact O-CB 3.26Å; W577-L582 PolarHBondContact O-N 3.41Å; W577-G583 PolarHBondContact NE1-O 3.31Å; W577-L584 HydrophobicContact CG-CD2 4.25Å
578	K	96.7	Very high	90.9	Very high	132 Å²	132	58.4 Å²	58.4	57%	0.574	33%	0.326	S	S	*	.	H	α-helix	trans	-65.6	-44.7	175.7	-67.4	176.3	-175.5	178.6	0	112	V574 Q575 S580 G581	V574-K578 HydrophobicContact CG1-CD 4.46Å; V574-K578 WeakPolarHBondContact O-CG 3.27Å; V574-K578 PolarHBondContact O-N 2.85Å; Q575-K578 PolarHBondContact O-N 3.29Å; K578-S580 PolarHBondContact O-N 2.84Å; K578-G581 PolarHBondContact O-N 3.38Å
579	E	96.6	Very high	89.1	Confident	88 Å²	88	55.9 Å²	55.9	41%	0.411	32%	0.323	S	S	.	.	H	α-helix	trans	-60.3	-34.3	177	-73.9	-177.5	-154.3	0	0	112.1	R533 Q575 T576 G581	R533-E579 IonicContact CZ-OE2 2.7Å; R533-E579 VanDerWaalsContact CZ-OE2 3.26Å; R533-E579 IonicContact NH1-OE2 3.53Å; R533-E579 PolarHBondContact NH1-OE2 2.88Å; R533-E579 IonicContact NH2-OE1 3.98Å; R533-E579 IonicContact NH2-OE2 3.42Å; R533-E579 PolarHBondContact NH2-OE2 3.28Å; Q575-E579 VanDerWaalsContact CG-OE1 3.23Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.44Å; Q575-E579 PolarHBondContact NE2-OE1 2.92Å; Q575-E579 WeakPolarHBondContact O-CG 3.45Å; Q575-E579 PolarHBondContact O-N 3.4Å; T576-E579 PolarHBondContact O-N 3.04Å; E579-G581 PolarHBondContact O-N 3.16Å
580	S	95.6	Very high	87.3	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.014	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.2	176.7	-50.5	0	0	0	0	113.6	K522 V526 T576 W577 K578 L582	K522-S580 WeakPolarHBondContact CE-O 3.35Å; K522-S580 PolarHBondContact NZ-O 3.09Å; V526-S580 WeakPolarHBondContact CG2-OG 3.17Å; T576-S580 WeakPolarHBondContact O-CB 3.35Å; T576-S580 PolarHBondContact O-N 2.97Å; T576-S580 PolarHBondContact O-OG 3.41Å; W577-S580 PolarHBondContact O-N 2.82Å; K578-S580 PolarHBondContact O-N 2.84Å; S580-L582 VanDerWaalsContact C-N 3.35Å
581	G	95.7	Very high	85.8	Confident	68 Å²	68	61.3 Å²	61.3	70%	0.701	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	17.1	-178.4	0	0	0	0	0	114.7	W577 K578 E579	W577-G581 PolarHBondContact O-N 3.32Å; K578-G581 PolarHBondContact O-N 3.38Å; E579-G581 PolarHBondContact O-N 3.16Å
582	L	94.9	Very high	84.2	Confident	32 Å²	32	57.1 Å²	57.1	17%	0.168	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-87.1	134.6	178.4	-60.7	171.7	0	0	0	110.6	V517 K522 V526 W577 S580	V517-L582 HydrophobicContact CG1-CD1 4.01Å; V517-L582 HydrophobicContact CG1-CD2 4.46Å; K522-L582 HydrophobicContact CB-CD2 4.13Å; K522-L582 HydrophobicContact CG-CD2 4.21Å; V526-L582 HydrophobicContact CG2-CD1 3.8Å; W577-L582 HydrophobicContact CD2-CB 3.93Å; W577-L582 HydrophobicContact CD2-CD1 3.82Å; W577-L582 HydrophobicContact CE3-CD1 3.92Å; W577-L582 HydrophobicContact CG-CB 3.88Å; W577-L582 HydrophobicContact CG-CD1 4.39Å; W577-L582 HydrophobicContact CH2-CD1 4.09Å; W577-L582 HydrophobicContact CZ2-CB 4.15Å; W577-L582 HydrophobicContact CZ2-CD1 3.98Å; W577-L582 HydrophobicContact CZ3-CD1 4.07Å; W577-L582 VanDerWaalsContact NE1-CB 3.32Å; W577-L582 WeakPolarHBondContact O-CB 3.26Å; W577-L582 PolarHBondContact O-N 3.41Å; S580-L582 VanDerWaalsContact C-N 3.35Å
583	G	91.3	Very high	82.9	Confident	58 Å²	58	59.3 Å²	59.3	60%	0.598	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-74.1	141.1	177.9	0	0	0	0	0	112.5	W577	W577-G583 PolarHBondContact NE1-O 3.31Å
584	L	90.8	Very high	81.5	Confident	58 Å²	58	63.2 Å²	63.2	30%	0.304	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-84.7	144.5	162.4	-63.6	176	0	0	0	109.2	G502 L503 V574 W577	G502-L584 CarbonylContact O-C 3.5Å; G502-L584 VanDerWaalsContact O-CA 3.31Å; G502-L584 WeakPolarHBondContact O-CA 3.42Å; G502-L584 WeakPolarHBondContact O-CB 3.39Å; G502-L584 WeakPolarHBondContact O-CD2 3.3Å; L503-L584 HydrophobicContact CD2-CD2 3.7Å; L503-L584 HydrophobicContact CG-CD2 4.05Å; V574-L584 HydrophobicContact CG1-CD1 4.25Å; W577-L584 HydrophobicContact CG-CD2 4.25Å
585	K	79.4	Confident	79.8	Confident	154 Å²	154	65.1 Å²	65.1	67%	0.67	38%	0.38	S	S	*	.			trans	-132.8	119.8	176.3	-67.5	-174.5	179.3	-177.5	0	108.5	G502 H587	G502-K585 CarbonylContact C-O 3.56Å; G502-K585 PolarHBondContact O-N 3.14Å; G502-K585 VanDerWaalsContact O-O 3.09Å; K585-H587 PolarHBondContact O-N 2.98Å
586	P	67.3	Low	78.3	Confident	118 Å²	118	68.9 Å²	68.9	77%	0.766	40%	0.397	S	S	*	.			trans	-54.4	137.6	169.5	-23	33.7	0	0	0	110.2	S588	P586-S588 PolarHBondContact O-N 3.23Å
587	H	65.6	Low	76.3	Confident	46 Å²	46	74.9 Å²	74.9	21%	0.213	43%	0.425	C	S	.	.			trans	-73.2	124.6	172.4	-106	73.1	0	0	0	109.7	M499 V505 K585	M499-H587 HydrophobicContact CE-CB 4.03Å; V505-H587 PolarHBondContact O-CE1 3.38Å; V505-H587 PolarHBondContact O-NE2 2.97Å; K585-H587 PolarHBondContact O-N 2.98Å
588	S	52.8	Low	74.1	Confident	121 Å²	121	78.4 Å²	78.4	85%	0.846	45%	0.449	S	S	*	.			trans	-105.5	3.5	-178.7	65	0	0	0	0	113.9	P586	P586-S588 PolarHBondContact O-N 3.23Å
589	S	60.1	Low	72	Confident	46 Å²	46	74.2 Å²	74.2	32%	0.322	43%	0.433	S	S	.	.			trans	-119.3	136.6	179.8	-178.3	0	0	0	0	111.2	E591	S589-E591 PolarHBondContact OG-N 3.48Å
590	A	61.5	Low	69.5	Low	37 Å²	37	76.5 Å²	76.5	31%	0.306	44%	0.443	S	S	.	.	S	Bend	trans	-103.7	31.1	172.1	0	0	0	0	0	111.6	L599 A621	A590-L599 VanDerWaalsContact C-CG 3.45Å; A590-L599 WeakPolarHBondContact O-CB 3.37Å; A590-L599 VanDerWaalsContact O-CG 3.3Å; A590-L599 WeakPolarHBondContact O-CG 3.41Å; A590-L599 PolarHBondContact O-N 3.13Å; A590-A621 HydrophobicContact CB-CB 3.73Å
591	E	67.1	Low	67.2	Low	89 Å²	89	80.2 Å²	80.2	42%	0.416	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-132.7	159.1	-179.6	-67	173	-177.1	0	0	111.9	S589 Q597	S589-E591 PolarHBondContact OG-N 3.48Å; E591-Q597 WeakPolarHBondContact CA-O 3.44Å
592	C	64.8	Low	64.4	Low	7 Å²	7	83.4 Å²	83.4	5%	0.047	46%	0.456	C	S	.	.			trans	-74.7	135.3	173.4	175.2	0	0	0	0	112.5	H507 F594 C595 Q596 Q597	H507-C592 PolarHBondContact O-SG 3.18Å; C592-F594 PolarHBondContact O-N 3.38Å; C592-F594 PolarHBondContact SG-N 2.68Å; C592-C595 VanDerWaalsContact SG-SG 3.66Å; C592-Q596 WeakPolarHBondContact O-CA 3.44Å; C592-Q596 PolarHBondContact O-N 3.01Å; C592-Q597 PolarHBondContact N-O 3.43Å
593	N	70.8	Confident	61.7	Low	92 Å²	92	89 Å²	89	49%	0.492	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.3	-179	-68.1	13.3	0	0	0	115	H507	H507-N593 WeakPolarHBondContact CB-OD1 3.43Å; H507-N593 PolarHBondContact N-ND2 3.13Å; H507-N593 PolarHBondContact O-N 3.32Å
594	F	68.1	Low	59.3	Low	83 Å²	83	88.4 Å²	88.4	36%	0.364	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-51.1	-174.1	-68.6	-82	0	0	0	113.3	D371 A373 V506 C592	D371-F594 HydrophobicContact CB-CE2 3.98Å; D371-F594 HydrophobicContact CB-CZ 3.59Å; D371-F594 VanDerWaalsContact CG-CZ 3.46Å; A373-F594 HydrophobicContact CB-CB 4.4Å; A373-F594 HydrophobicContact CB-CD1 4.16Å; A373-F594 HydrophobicContact CB-CD2 3.93Å; A373-F594 HydrophobicContact CB-CE1 4.45Å; A373-F594 HydrophobicContact CB-CE2 4.23Å; A373-F594 HydrophobicContact CB-CG 3.89Å; A373-F594 HydrophobicContact CB-CZ 4.49Å; V506-F594 HydrophobicContact CG1-CE2 3.92Å; V506-F594 HydrophobicContact CG1-CZ 4.5Å; C592-F594 PolarHBondContact O-N 3.38Å; C592-F594 PolarHBondContact SG-N 2.68Å
595	C	61.9	Low	57.2	Low	63 Å²	63	88.2 Å²	88.2	43%	0.426	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-0.5	-176.6	61	0	0	0	0	114.4	C592 Q597	C592-C595 VanDerWaalsContact SG-SG 3.66Å; C595-Q597 HydrophobicContact CB-CG 4.19Å; C595-Q597 PolarHBondContact O-N 2.72Å
596	Q	66.6	Low	55.8	Low	147 Å²	147	88.6 Å²	88.6	69%	0.687	48%	0.475	S	S	*	.			trans	53.7	14	-177.4	-62.3	-178	-21.3	0	0	114.8	C592	C592-Q596 WeakPolarHBondContact O-CA 3.44Å; C592-Q596 PolarHBondContact O-N 3.01Å
597	Q	56.9	Low	54.6	Low	125 Å²	125	89.9 Å²	89.9	58%	0.584	47%	0.465	S	S	*	.			trans	-69.4	137.5	176.6	-68.5	-62	-41	0	0	110	E591 C592 C595	E591-Q597 WeakPolarHBondContact CA-O 3.44Å; C592-Q597 PolarHBondContact N-O 3.43Å; C595-Q597 HydrophobicContact CB-CG 4.19Å; C595-Q597 PolarHBondContact O-N 2.72Å
598	P	52.5	Low	53.6	Low	81 Å²	81	90.3 Å²	90.3	53%	0.526	47%	0.467	S	S	.	.	B	Isolated β-bridge	trans	-55.3	145.5	173.9	-26.2	34.7	0	0	0	111.9	H600	P598-H600 PolarHBondContact O-N 2.8Å
599	L	52.6	Low	53.5	Low	44 Å²	44	90.3 Å²	90.3	23%	0.23	45%	0.451	C	S	.	.			trans	-78.2	66.4	176.3	-60.7	-178.4	0	0	0	111.1	H507 A590 F601	H507-L599 WeakPolarHBondContact CD2-CD2 3.38Å; H507-L599 WeakPolarHBondContact CE1-CD1 3.45Å; H507-L599 WeakPolarHBondContact NE2-CD2 3.43Å; A590-L599 VanDerWaalsContact C-CG 3.45Å; A590-L599 WeakPolarHBondContact O-CB 3.37Å; A590-L599 VanDerWaalsContact O-CG 3.3Å; A590-L599 WeakPolarHBondContact O-CG 3.41Å; A590-L599 PolarHBondContact O-N 3.13Å; L599-F601 HydrophobicContact CB-CD2 4.14Å; L599-F601 HydrophobicContact CB-CE2 3.86Å; L599-F601 HydrophobicContact CD1-CE2 4.21Å; L599-F601 HydrophobicContact CG-CE2 4.43Å; L599-F601 PolarHBondContact O-N 2.83Å
600	H	42.7	Very low	53	Low	136 Å²	136	92 Å²	92	63%	0.63	46%	0.464	S	S	*	.			trans	-71.2	77.6	166.7	-123.9	-97.7	0	0	0	109.4	P598 E602	P598-H600 PolarHBondContact O-N 2.8Å; H600-E602 IonicContact CE1-OE1 3.63Å; H600-E602 PolarHBondContact CE1-OE1 3.06Å; H600-E602 VanDerWaalsContact CE1-OE1 3.26Å; H600-E602 IonicContact CE1-OE2 2.59Å; H600-E602 WeakPolarHBondContact ND1-CG 3.31Å; H600-E602 IonicContact ND1-OE1 2.72Å; H600-E602 IonicContact ND1-OE2 3.13Å; H600-E602 PolarHBondContact ND1-OE2 3.49Å; H600-E602 PolarHBondContact O-N 3.13Å
601	F	47	Very low	52.1	Low	80 Å²	80	98.1 Å²	98.1	35%	0.351	48%	0.48	S	S	.	.			trans	-72.1	53.9	158.5	-62	-66.6	0	0	0	109.8	Q492 H507 L599	Q492-F601 HydrophobicContact CG-CD1 4.31Å; Q492-F601 HydrophobicContact CG-CE1 4.35Å; H507-F601 AromaticContact CE1-CZ 3.89Å; H507-F601 AromaticContact NE2-CZ 3.87Å; L599-F601 HydrophobicContact CB-CD2 4.14Å; L599-F601 HydrophobicContact CB-CE2 3.86Å; L599-F601 HydrophobicContact CD1-CE2 4.21Å; L599-F601 HydrophobicContact CG-CE2 4.43Å; L599-F601 PolarHBondContact O-N 2.83Å
602	E	37.3	Very low	51.2	Low	135 Å²	135	94.1 Å²	94.1	63%	0.631	46%	0.461	S	S	*	.			trans	-64.1	144	164.2	-121.7	170.8	-167.4	0	0	108.4	H600	H600-E602 IonicContact CE1-OE1 3.63Å; H600-E602 PolarHBondContact CE1-OE1 3.06Å; H600-E602 VanDerWaalsContact CE1-OE1 3.26Å; H600-E602 IonicContact CE1-OE2 2.59Å; H600-E602 WeakPolarHBondContact ND1-CG 3.31Å; H600-E602 IonicContact ND1-OE1 2.72Å; H600-E602 IonicContact ND1-OE2 3.13Å; H600-E602 PolarHBondContact ND1-OE2 3.49Å; H600-E602 PolarHBondContact O-N 3.13Å
603	L	38.8	Very low	50.3	Low	150 Å²	150	98.5 Å²	98.5	79%	0.785	49%	0.492	S	S	*	.			trans	74.3	51.7	178.5	-45.3	170.7	0	0	0	116.2
604	M	41.8	Very low	49.6	Very low	45 Å²	45	97.1 Å²	97.1	22%	0.222	50%	0.499	C	S	.	.				-86.7	118.1	119.9	-71.9	-168.4	-161.9	0	0	107.8	E608 K609 F612	M604-E608 HydrophobicContact CB-CB 4.09Å; M604-E608 HydrophobicContact CG-CB 4.39Å; M604-K609 HydrophobicContact CB-CG 3.92Å; M604-K609 WeakPolarHBondContact O-CE 3.46Å; M604-F612 HydrophobicContact CE-CD2 4.45Å; M604-F612 HydrophobicContact SD-CD2 4.03Å
605	S	45.6	Very low	48.7	Very low	54 Å²	54	95.7 Å²	95.7	38%	0.378	50%	0.495	S	S	.	.			trans	-56.2	156.7	167.6	61.4	0	0	0	0	110.7	R607 E608 K609	S605-R607 PolarHBondContact O-N 2.97Å; S605-R607 VanDerWaalsContact O-N 3.1Å; S605-E608 WeakPolarHBondContact CB-OE2 3.29Å; S605-E608 PolarHBondContact N-OE2 3.31Å; S605-E608 PolarHBondContact O-N 2.98Å; S605-E608 WeakPolarHBondContact OG-CG 3.47Å; S605-E608 PolarHBondContact OG-N 2.64Å; S605-E608 VanDerWaalsContact OG-N 3.12Å; S605-E608 PolarHBondContact OG-OE2 2.7Å; S605-K609 WeakPolarHBondContact O-CG 3.41Å; S605-K609 PolarHBondContact O-N 2.73Å
606	E	49.1	Very low	48.1	Very low	162 Å²	162	94 Å²	94	76%	0.757	48%	0.484	S	S	*	.	H	α-helix	trans	-57	-29.4	174.8	-66.4	-134.7	131.3	0	0	112.3	K609 S610	E606-K609 PolarHBondContact O-N 3.26Å; E606-S610 PolarHBondContact O-N 2.91Å
607	R	42.6	Very low	47.3	Very low	145 Å²	145	93.7 Å²	93.7	55%	0.547	48%	0.482	S	S	.	.	H	α-helix	trans	-66.1	-46.3	173.5	-162.5	178.8	-169.5	-173.5	3.7	111.8	S605 S610 Y611	S605-R607 PolarHBondContact O-N 2.97Å; S605-R607 VanDerWaalsContact O-N 3.1Å; R607-S610 PolarHBondContact O-N 2.73Å; R607-S610 PolarHBondContact O-OG 3.23Å; R607-Y611 PolarHBondContact O-N 2.85Å
608	E	45.8	Very low	46.6	Very low	54 Å²	54	93.5 Å²	93.5	25%	0.252	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-39.7	173.7	-74.1	162.7	118.7	0	0	112.4	R489 M604 S605 S610 Y611 F612	R489-E608 VanDerWaalsContact CD-OE1 3.23Å; R489-E608 WeakPolarHBondContact CD-OE1 3.36Å; M604-E608 HydrophobicContact CB-CB 4.09Å; M604-E608 HydrophobicContact CG-CB 4.39Å; S605-E608 WeakPolarHBondContact CB-OE2 3.29Å; S605-E608 PolarHBondContact N-OE2 3.31Å; S605-E608 PolarHBondContact O-N 2.98Å; S605-E608 WeakPolarHBondContact OG-CG 3.47Å; S605-E608 PolarHBondContact OG-N 2.64Å; S605-E608 VanDerWaalsContact OG-N 3.12Å; S605-E608 PolarHBondContact OG-OE2 2.7Å; E608-S610 PolarHBondContact O-N 3.35Å; E608-Y611 PolarHBondContact O-N 3.06Å; E608-Y611 VanDerWaalsContact O-N 3.12Å; E608-F612 HydrophobicContact CB-CD2 4.27Å; E608-F612 HydrophobicContact CB-CE2 4.37Å; E608-F612 VanDerWaalsContact O-CD2 3.25Å; E608-F612 WeakPolarHBondContact O-CD2 3.24Å; E608-F612 PolarHBondContact O-N 2.81Å
609	K	49.6	Very low	46.1	Very low	121 Å²	121	92.8 Å²	92.8	53%	0.526	48%	0.483	S	S	.	.	H	α-helix	trans	-58.3	-38	172	-66.2	177.4	-175.6	172.6	0	111.6	M604 S605 E606 S613	M604-K609 HydrophobicContact CB-CG 3.92Å; M604-K609 WeakPolarHBondContact O-CE 3.46Å; S605-K609 WeakPolarHBondContact O-CG 3.41Å; S605-K609 PolarHBondContact O-N 2.73Å; E606-K609 PolarHBondContact O-N 3.26Å; K609-S613 WeakPolarHBondContact O-CA 3.31Å; K609-S613 PolarHBondContact O-N 2.98Å; K609-S613 VanDerWaalsContact O-N 3.07Å
610	S	50.7	Low	45.3	Very low	83 Å²	83	95.1 Å²	95.1	58%	0.58	50%	0.503	S	S	*	.	H	α-helix	trans	-70	-38.6	173.9	80.3	0	0	0	0	113.2	E606 R607 E608 S613	E606-S610 PolarHBondContact O-N 2.91Å; R607-S610 PolarHBondContact O-N 2.73Å; R607-S610 PolarHBondContact O-OG 3.23Å; E608-S610 PolarHBondContact O-N 3.35Å; S610-S613 VanDerWaalsContact O-CB 3.26Å; S610-S613 WeakPolarHBondContact O-CB 3.45Å; S610-S613 PolarHBondContact O-N 2.92Å
611	Y	42.3	Very low	44.8	Very low	164 Å²	164	92.3 Å²	92.3	64%	0.643	50%	0.503	S	S	*	.	H	α-helix	trans	-70.4	-33.9	179.6	-172.7	-93.5	0	0	0	112.8	R607 E608	R607-Y611 PolarHBondContact O-N 2.85Å; E608-Y611 PolarHBondContact O-N 3.06Å; E608-Y611 VanDerWaalsContact O-N 3.12Å
612	F	47.5	Very low	43.8	Very low	6 Å²	6	93.7 Å²	93.7	3%	0.026	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	10.6	176.1	-60.2	-56.9	0	0	0	113.7	R489 L493 P563 M604 E608 G614 L615	R489-F612 HydrophobicContact CG-CE2 4.01Å; R489-F612 HydrophobicContact CG-CZ 4.06Å; L493-F612 HydrophobicContact CD1-CD1 4.25Å; L493-F612 HydrophobicContact CD1-CG 4.35Å; L493-F612 HydrophobicContact CD2-CD1 3.84Å; L493-F612 HydrophobicContact CD2-CE1 3.55Å; L493-F612 HydrophobicContact CD2-CZ 4.11Å; P563-F612 HydrophobicContact CG-CE1 4.2Å; M604-F612 HydrophobicContact CE-CD2 4.45Å; M604-F612 HydrophobicContact SD-CD2 4.03Å; E608-F612 HydrophobicContact CB-CD2 4.27Å; E608-F612 HydrophobicContact CB-CE2 4.37Å; E608-F612 VanDerWaalsContact O-CD2 3.25Å; E608-F612 WeakPolarHBondContact O-CD2 3.24Å; E608-F612 PolarHBondContact O-N 2.81Å; F612-G614 PolarHBondContact O-N 3.29Å; F612-L615 HydrophobicContact CD1-CD1 4.09Å; F612-L615 WeakPolarHBondContact O-CB 3.44Å; F612-L615 PolarHBondContact O-N 3.06Å
613	S	47	Very low	43.5	Very low	99 Å²	99	95.5 Å²	95.5	69%	0.692	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	119.7	-179.4	-176.8	0	0	0	0	111.1	K609 S610	K609-S613 WeakPolarHBondContact O-CA 3.31Å; K609-S613 PolarHBondContact O-N 2.98Å; K609-S613 VanDerWaalsContact O-N 3.07Å; S610-S613 VanDerWaalsContact O-CB 3.26Å; S610-S613 WeakPolarHBondContact O-CB 3.45Å; S610-S613 PolarHBondContact O-N 2.92Å
614	G	54.8	Low	43.8	Very low	62 Å²	62	92.8 Å²	92.8	64%	0.639	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	7.4	-178.5	0	0	0	0	0	116	F612	F612-G614 PolarHBondContact O-N 3.29Å
615	L	49.3	Very low	43.9	Very low	53 Å²	53	95.3 Å²	95.3	28%	0.277	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.5	-22.2	173.2	-67.2	175	0	0	0	114.1	M497 P563 K567 F612	M497-L615 WeakPolarHBondContact CG-O 3.47Å; P563-L615 HydrophobicContact CB-CD1 3.94Å; K567-L615 HydrophobicContact CD-CD2 4.31Å; F612-L615 HydrophobicContact CD1-CD1 4.09Å; F612-L615 WeakPolarHBondContact O-CB 3.44Å; F612-L615 PolarHBondContact O-N 3.06Å
616	S	49.3	Very low	43.8	Very low	27 Å²	27	97.6 Å²	97.6	19%	0.189	58%	0.575	C	S	.	*			trans	-152.9	160.6	174.6	54.5	0	0	0	0	110.5	D500	D500-S616 WeakPolarHBondContact OD2-CA 3.47Å; D500-S616 VanDerWaalsContact OD2-CB 3.3Å; D500-S616 WeakPolarHBondContact OD2-CB 3.48Å
617	H	50.1	Low	43.5	Very low	142 Å²	142	93.8 Å²	93.8	66%	0.657	57%	0.565	S	S	*	*			trans	-117	136.7	173.9	-67.6	-54.1	0	0	0	110	Q496 D500 I619	Q496-H617 PolarHBondContact NE2-O 3.3Å; D500-H617 VanDerWaalsContact OD1-O 3.1Å; D500-H617 PolarHBondContact OD2-N 3.29Å; H617-I619 PolarHBondContact O-N 3.32Å
618	P	43.3	Very low	43.5	Very low	120 Å²	120	90.6 Å²	90.6	78%	0.779	57%	0.566	S	S	*	*			trans	-65.4	123.8	177.3	26.6	-33	0	0	0	110.1	S620	P618-S620 PolarHBondContact O-N 3.31Å; P618-S620 VanDerWaalsContact O-N 3.13Å
619	I	41.1	Very low	43.4	Very low	67 Å²	67	93 Å²	93	34%	0.344	59%	0.587	S	S	.	*			trans	-65.3	112.7	170.6	-68.5	164.5	0	0	0	107.9	Q496 M499 H617	Q496-I619 VanDerWaalsContact NE2-CD1 3.33Å; M499-I619 HydrophobicContact CB-CD1 3.85Å; M499-I619 HydrophobicContact CE-CD1 3.88Å; H617-I619 PolarHBondContact O-N 3.32Å
620	S	35.2	Very low	42.9	Very low	93 Å²	93	91 Å²	91	65%	0.65	59%	0.591	S	S	*	*			trans	-72.8	128	169.3	-170.9	0	0	0	0	108.8	P618 C622	P618-S620 PolarHBondContact O-N 3.31Å; P618-S620 VanDerWaalsContact O-N 3.13Å; S620-C622 PolarHBondContact O-N 2.63Å
621	A	32.1	Very low	42.3	Very low	77 Å²	77	91.6 Å²	91.6	64%	0.636	59%	0.592	S	S	*	*	S	Bend	trans	-75	60.7	174.5	0	0	0	0	0	111.3	A590	A590-A621 HydrophobicContact CB-CB 3.73Å
622	C	27.4	Very low	42.3	Very low	108 Å²	108	85.6 Å²	85.6	73%	0.73	59%	0.588	S	S	*	*			trans	-151.5	91.1	-177.9	-88.9	0	0	0	0	111.8	S620	S620-C622 PolarHBondContact O-N 2.63Å
623	A	30.8	Very low	41.8	Very low	173 Å²	173	92.8 Å²	92.8	100%	1.43	64%	0.639	S	S	*	*			trans	-169.5	0	146.9	0	0	0	0	0	109.9

Retrieved 623 of 623 residues in 1116.5 ms (Link to these results)

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