A0A096M731_POEFO Loading...

6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3

AlphaFold DB , UniProt , Accession A0A096M731, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 524 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	62.6	Low	86.1	Confident	227 Å²	227	104.5 Å²	104.5	100%	1.118	51%	0.505	S	S	*	.				0	128.8	0	-64.7	-76.4	-111.3	0	0	107.6
2	P	74.5	Confident	86.7	Confident	127 Å²	127	97.7 Å²	97.7	83%	0.825	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-57.2	138.7	167.4	-0.8	10.2	0	0	0	108.7
3	R	79.9	Confident	86.9	Confident	186 Å²	186	95.7 Å²	95.7	70%	0.702	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-71.4	131.5	179.1	-69	-176.4	178.1	167.8	1.2	109.3
4	E	89	Confident	87.1	Confident	145 Å²	145	100.4 Å²	100.4	68%	0.678	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-68	148.5	170.8	-179.1	179.9	-157.8	0	0	109.9	P16 T17	E4-P16 WeakPolarHBondContact O-CA 3.4Å; E4-T17 HydrophobicContact CB-CG2 4.37Å; E4-T17 WeakPolarHBondContact CB-OG1 3.49Å; E4-T17 HydrophobicContact CG-CG2 3.94Å; E4-T17 PolarHBondContact O-N 2.86Å; E4-T17 PolarHBondContact O-OG1 3.34Å
5	L	90.5	Very high	87	Confident	91 Å²	91	97.9 Å²	97.9	48%	0.476	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	145.2	-177.3	-57.6	-178.9	0	0	0	110	W14 V15 P16	L5-W14 HydrophobicContact CB-CE3 3.91Å; L5-W14 HydrophobicContact CD1-CB 4.47Å; L5-V15 CarbonylContact C-O 3.52Å; L5-V15 WeakPolarHBondContact CA-O 3.45Å; L5-P16 HydrophobicContact CD2-CB 4.42Å; L5-P16 HydrophobicContact CD2-CG 4.31Å
6	T	91.8	Very high	87	Confident	69 Å²	69	95.8 Å²	95.8	42%	0.423	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151	170.3	-175.1	0	0	0	0	109.3	V15 T17	T6-V15 HydrophobicContact CG2-CG2 3.92Å; T6-V15 PolarHBondContact N-O 3.2Å; T6-V15 WeakPolarHBondContact O-CG2 3.41Å; T6-V15 PolarHBondContact O-N 2.97Å; T6-T17 HydrophobicContact CG2-CG2 3.93Å
7	Q	90.5	Very high	86.7	Confident	78 Å²	78	92.7 Å²	92.7	36%	0.364	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.6	-179.2	-161.2	179.1	33.7	0	0	110.4	R9 K12 I13 W14	Q7-R9 PolarHBondContact O-N 3.42Å; Q7-K12 VanDerWaalsContact CG-C 3.44Å; Q7-K12 HydrophobicContact CG-CB 4.44Å; Q7-K12 PolarHBondContact NE2-O 2.7Å; Q7-I13 WeakPolarHBondContact CA-O 3.38Å; Q7-W14 HydrophobicContact CB-CD2 4.1Å; Q7-W14 HydrophobicContact CB-CE3 3.96Å; Q7-W14 HydrophobicContact CB-CH2 4.24Å; Q7-W14 HydrophobicContact CB-CZ2 4.36Å; Q7-W14 HydrophobicContact CB-CZ3 4.03Å; Q7-W14 HydrophobicContact CG-CD2 4.29Å
8	N	91.4	Very high	85.6	Confident	51 Å²	51	98.2 Å²	98.2	27%	0.273	47%	0.474	S	S	.	.			trans	-62.8	130.3	171.9	176.7	-81.8	0	0	0	110.2	I10 Q11 K12 I13	N8-I10 PolarHBondContact O-N 2.86Å; N8-I10 PolarHBondContact OD1-N 3.42Å; N8-Q11 PolarHBondContact OD1-N 3.27Å; N8-K12 WeakPolarHBondContact O-CA 3.26Å; N8-K12 PolarHBondContact O-N 3.27Å; N8-I13 PolarHBondContact N-O 3.14Å
9	R	92.8	Very high	84	Confident	144 Å²	144	100.4 Å²	100.4	54%	0.543	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-33.6	-173.7	-67.8	172.8	70.3	-154.9	1	114.3	Q7 K12 E342 L346	Q7-R9 PolarHBondContact O-N 3.42Å; R9-K12 WeakPolarHBondContact O-CE 3.37Å; R9-K12 PolarHBondContact O-NZ 2.85Å; R9-E342 IonicContact CZ-OE1 2.82Å; R9-E342 IonicContact NE-OE1 3.8Å; R9-E342 PolarHBondContact NE-OE1 2.85Å; R9-E342 VanDerWaalsContact NH2-CG 3.33Å; R9-E342 IonicContact NH2-OE1 3.71Å; R9-E342 PolarHBondContact NH2-OE1 3.4Å; R9-L346 HydrophobicContact CB-CD1 3.98Å; R9-L346 HydrophobicContact CB-CD2 4.29Å
10	I	92.1	Very high	82.3	Confident	8 Å²	8	103.2 Å²	103.2	4%	0.041	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-58.8	-177.6	-65.8	-179.4	0	0	0	110.6	N8 K12 L346 D350 R355 I456	N8-I10 PolarHBondContact O-N 2.86Å; N8-I10 PolarHBondContact OD1-N 3.42Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.18Å; I10-L346 HydrophobicContact CG1-CD2 4.04Å; I10-D350 HydrophobicContact CD1-CB 4.12Å; I10-D350 HydrophobicContact CG2-CB 4.25Å; I10-R355 PolarHBondContact O-N 2.85Å; I10-I456 HydrophobicContact CD1-CD1 3.63Å
11	Q	91.4	Very high	80.6	Confident	23 Å²	23	107.2 Å²	107.2	11%	0.107	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.7	-171.9	-59.2	-173.5	-74.8	0	0	113.5	N8 I13 R355	N8-Q11 PolarHBondContact OD1-N 3.27Å; Q11-I13 HydrophobicContact CB-CD1 3.76Å; Q11-I13 HydrophobicContact CB-CG1 3.84Å; Q11-I13 PolarHBondContact O-N 3Å; Q11-R355 PolarHBondContact O-NH1 3.44Å
12	K	93.5	Very high	79.9	Confident	23 Å²	23	107.8 Å²	107.8	10%	0.1	51%	0.51	C	S	.	.			trans	57.1	34.8	-175.9	-52.4	-57.2	-167	-63.9	0	113.1	Q7 N8 R9 I10 E343 R355	Q7-K12 VanDerWaalsContact CG-C 3.44Å; Q7-K12 HydrophobicContact CG-CB 4.44Å; Q7-K12 PolarHBondContact NE2-O 2.7Å; N8-K12 WeakPolarHBondContact O-CA 3.26Å; N8-K12 PolarHBondContact O-N 3.27Å; R9-K12 WeakPolarHBondContact O-CE 3.37Å; R9-K12 PolarHBondContact O-NZ 2.85Å; I10-K12 VanDerWaalsContact C-N 3.34Å; I10-K12 PolarHBondContact O-N 3.18Å; K12-E343 WeakPolarHBondContact CE-OE1 3.27Å; K12-E343 WeakPolarHBondContact CE-OE2 3.32Å; K12-E343 IonicContact NZ-OE1 2.76Å; K12-E343 PolarHBondContact NZ-OE1 2.79Å; K12-E343 IonicContact NZ-OE2 3.6Å; K12-E343 PolarHBondContact NZ-OE2 3.45Å; K12-R355 HydrophobicContact CB-CB 4.45Å; K12-R355 HydrophobicContact CG-CB 4.17Å; K12-R355 WeakPolarHBondContact CG-O 3.48Å; K12-R355 PolarHBondContact NZ-O 2.88Å; K12-R355 VanDerWaalsContact NZ-O 3.12Å
13	I	89.6	Confident	78.7	Confident	72 Å²	72	112.8 Å²	112.8	37%	0.369	51%	0.513	S	S	.	.			trans	-96.2	131.4	178.6	-61.3	173	0	0	0	110.1	Q7 N8 Q11 V15	Q7-I13 WeakPolarHBondContact CA-O 3.38Å; N8-I13 PolarHBondContact N-O 3.14Å; Q11-I13 HydrophobicContact CB-CD1 3.76Å; Q11-I13 HydrophobicContact CB-CG1 3.84Å; Q11-I13 PolarHBondContact O-N 3Å; I13-V15 HydrophobicContact CG2-CG1 4.38Å; I13-V15 PolarHBondContact O-N 2.75Å
14	W	89.1	Confident	77	Confident	161 Å²	161	107 Å²	107	61%	0.61	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	124.4	173	-67.5	100.7	0	0	0	111.3	L5 Q7	L5-W14 HydrophobicContact CB-CE3 3.91Å; L5-W14 HydrophobicContact CD1-CB 4.47Å; Q7-W14 HydrophobicContact CB-CD2 4.1Å; Q7-W14 HydrophobicContact CB-CE3 3.96Å; Q7-W14 HydrophobicContact CB-CH2 4.24Å; Q7-W14 HydrophobicContact CB-CZ2 4.36Å; Q7-W14 HydrophobicContact CB-CZ3 4.03Å; Q7-W14 HydrophobicContact CG-CD2 4.29Å
15	V	86.9	Confident	74.8	Confident	63 Å²	63	107.2 Å²	107.2	38%	0.382	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.2	176.7	-63	0	0	0	0	109.6	L5 T6 I13 T17	L5-V15 CarbonylContact C-O 3.52Å; L5-V15 WeakPolarHBondContact CA-O 3.45Å; T6-V15 HydrophobicContact CG2-CG2 3.92Å; T6-V15 PolarHBondContact N-O 3.2Å; T6-V15 WeakPolarHBondContact O-CG2 3.41Å; T6-V15 PolarHBondContact O-N 2.97Å; I13-V15 HydrophobicContact CG2-CG1 4.38Å; I13-V15 PolarHBondContact O-N 2.75Å; V15-T17 PolarHBondContact O-N 3.5Å
16	P	86.6	Confident	72.6	Confident	65 Å²	65	105.5 Å²	105.5	42%	0.422	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	137	173.7	-23.2	33.7	0	0	0	111.3	E4 L5 K18	E4-P16 WeakPolarHBondContact O-CA 3.4Å; L5-P16 HydrophobicContact CD2-CB 4.42Å; L5-P16 HydrophobicContact CD2-CG 4.31Å; P16-K18 PolarHBondContact O-N 2.93Å
17	T	81.6	Confident	70.6	Confident	43 Å²	43	106.3 Å²	106.3	26%	0.264	54%	0.54	S	S	.	.			trans	-57.9	134.7	168.4	44.7	0	0	0	0	108.3	E4 T6 V15 D19	E4-T17 HydrophobicContact CB-CG2 4.37Å; E4-T17 WeakPolarHBondContact CB-OG1 3.49Å; E4-T17 HydrophobicContact CG-CG2 3.94Å; E4-T17 PolarHBondContact O-N 2.86Å; E4-T17 PolarHBondContact O-OG1 3.34Å; T6-T17 HydrophobicContact CG2-CG2 3.93Å; V15-T17 PolarHBondContact O-N 3.5Å; T17-D19 PolarHBondContact O-N 3.1Å
18	K	67.1	Low	68.8	Low	191 Å²	191	106.3 Å²	106.3	83%	0.83	55%	0.547	S	S	*	.			trans	-67.6	104.2	-180	-73.7	-178.2	178.3	178	0	108.6	P16 D20	P16-K18 PolarHBondContact O-N 2.93Å; K18-D20 PolarHBondContact O-N 3.44Å
19	D	55.2	Low	66.4	Low	141 Å²	141	112.7 Å²	112.7	75%	0.754	58%	0.575	S	S	*	*			trans	-68.5	112	152	-81.6	-34.3	0	0	0	106.6	T17 K21	T17-D19 PolarHBondContact O-N 3.1Å; D19-K21 PolarHBondContact O-N 3.3Å
20	D	49.6	Very low	64.4	Low	156 Å²	156	108.7 Å²	108.7	83%	0.834	56%	0.562	S	S	*	*	S	Bend	trans	-71.4	32.5	-168	-138.1	6.9	0	0	0	114.4	K18	K18-D20 PolarHBondContact O-N 3.44Å
21	K	47.2	Very low	62.8	Low	187 Å²	187	113.1 Å²	113.1	81%	0.813	60%	0.6	S	S	*	*	S	Bend	trans	-125	104.8	179	-71.3	-175.5	179.7	176.1	0	110.7	D19	D19-K21 PolarHBondContact O-N 3.3Å
22	R	48.4	Very low	61.8	Low	240 Å²	240	116 Å²	116	91%	0.906	62%	0.615	S	S	*	*			trans	74.3	90.9	166.7	-57.1	178.5	177.1	179.5	-1.3	115.7
23	R	48.3	Very low	61.6	Low	231 Å²	231	117.8 Å²	117.8	87%	0.872	63%	0.629	S	S	*	*			trans	-125.6	104.6	133.7	-75.5	-173.1	179.4	-178.3	-0.4	108
24	G	43.7	Very low	61.8	Low	66 Å²	66	115.2 Å²	115.2	68%	0.68	62%	0.618	S	S	*	*			trans	-50.2	146.4	153.4	0	0	0	0	0	107.9	G26	G24-G26 PolarHBondContact O-N 2.9Å
25	T	43.4	Very low	62.2	Low	149 Å²	149	107.6 Å²	107.6	91%	0.914	59%	0.589	S	S	*	*			trans	-62.6	67.4	173.4	46.9	0	0	0	0	109.8	A27	T25-A27 PolarHBondContact O-N 3.25Å
26	G	44.7	Very low	62.7	Low	54 Å²	54	104.6 Å²	104.6	56%	0.557	57%	0.57	S	S	*	*			trans	-64.4	122.9	171.3	0	0	0	0	0	107.4	G24	G24-G26 PolarHBondContact O-N 2.9Å
27	A	48.9	Very low	63.3	Low	86 Å²	86	101.5 Å²	101.5	71%	0.711	55%	0.55	S	S	*	*			trans	-46.2	143.7	167.8	0	0	0	0	0	109.2	T25 H29	T25-A27 PolarHBondContact O-N 3.25Å; A27-H29 PolarHBondContact O-N 3.46Å
28	P	52.5	Low	64.1	Low	78 Å²	78	99.4 Å²	99.4	51%	0.506	54%	0.538	S	S	.	.			trans	-56.9	107.4	176	25	-31.5	0	0	0	108.4	F30	P28-F30 PolarHBondContact O-N 2.94Å; P28-F30 VanDerWaalsContact O-N 3.13Å
29	H	42.8	Very low	65.6	Low	186 Å²	186	90.3 Å²	90.3	86%	0.861	50%	0.498	S	S	*	.			trans	-74.6	105.4	170.9	-151.3	-40.2	0	0	0	105.6	A27 A31	A27-H29 PolarHBondContact O-N 3.46Å; H29-A31 PolarHBondContact O-N 2.74Å
30	F	50.8	Low	67.7	Low	60 Å²	60	83.6 Å²	83.6	26%	0.263	46%	0.462	S	S	.	.			trans	-60.8	129.2	169.9	-67.6	-80.1	0	0	0	107.5	P28 N32 Q119	P28-F30 PolarHBondContact O-N 2.94Å; P28-F30 VanDerWaalsContact O-N 3.13Å; F30-N32 VanDerWaalsContact CB-O 3.22Å; F30-N32 WeakPolarHBondContact CB-O 3.49Å; F30-N32 PolarHBondContact O-N 3.15Å; F30-Q119 HydrophobicContact CE1-CG 4.21Å
31	A	56.7	Low	69.9	Low	101 Å²	101	76.2 Å²	76.2	84%	0.835	42%	0.423	S	S	*	.	S	Bend	trans	-64.9	-19.5	174	0	0	0	0	0	111.5	H29	H29-A31 PolarHBondContact O-N 2.74Å
32	N	70.8	Confident	72.2	Confident	82 Å²	82	67.9 Å²	67.9	44%	0.439	39%	0.387	S	S	.	.	S	Bend	trans	-127.3	135.1	176.6	-70.9	-43.1	0	0	0	110.6	F30	F30-N32 VanDerWaalsContact CB-O 3.22Å; F30-N32 WeakPolarHBondContact CB-O 3.49Å; F30-N32 PolarHBondContact O-N 3.15Å
33	P	88.9	Confident	74.3	Confident	61 Å²	61	56.9 Å²	56.9	40%	0.396	35%	0.347	S	S	.	.			trans	-57.7	140	172	-22	31.4	0	0	0	111.8	D144 K146	P33-D144 WeakPolarHBondContact CB-O 3.49Å; P33-K146 HydrophobicContact CB-CG 4.33Å
34	P	94.8	Very high	76.2	Confident	19 Å²	19	46.1 Å²	46.1	12%	0.123	31%	0.307	C	S	.	.			trans	-58.7	156.8	173.8	-22	32.4	0	0	0	112.8	L113 Q119 F145 K146	P34-L113 HydrophobicContact CB-CB 4.12Å; P34-L113 HydrophobicContact CB-CD1 4.1Å; P34-L113 HydrophobicContact CB-CD2 3.97Å; P34-L113 HydrophobicContact CB-CG 4.27Å; P34-L113 HydrophobicContact CG-CB 4.44Å; P34-Q119 WeakPolarHBondContact CA-O 3.44Å; P34-Q119 WeakPolarHBondContact CB-O 3.45Å; P34-F145 HydrophobicContact CB-CD1 4.14Å; P34-F145 HydrophobicContact CB-CE1 4.44Å; P34-F145 HydrophobicContact CG-CD1 4.29Å; P34-F145 HydrophobicContact CG-CE1 4.34Å; P34-F145 WeakPolarHBondContact O-CA 3.38Å; P34-K146 PolarHBondContact O-N 3.31Å
35	T	97.1	Very high	78.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133	-176.8	-59.4	0	0	0	0	111.9	I37 Q119 V120 A121 K146 F148	T35-I37 HydrophobicContact CG2-CG1 4.35Å; T35-Q119 PolarHBondContact N-O 2.87Å; T35-V120 CarbonylContact O-C 3.53Å; T35-V120 VanDerWaalsContact O-CA 3.28Å; T35-V120 WeakPolarHBondContact O-CA 3.39Å; T35-A121 PolarHBondContact O-N 2.79Å; T35-K146 CarbonylContact C-O 3.55Å; T35-K146 WeakPolarHBondContact CA-O 3.45Å; T35-K146 HydrophobicContact CG2-CB 4.36Å; T35-F148 HydrophobicContact CG2-CB 4.14Å
36	V	98.5	Very high	80.6	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.3	166.3	-174.6	0	0	0	0	108.5	V38 V109 L113 A121 F123 F139 F145 K146 I147 F148	V36-V38 HydrophobicContact CG1-CG2 4.08Å; V36-V109 HydrophobicContact CG2-CG1 3.88Å; V36-L113 HydrophobicContact CG2-CD1 3.77Å; V36-A121 CarbonylContact C-O 3.43Å; V36-A121 WeakPolarHBondContact CA-O 2.86Å; V36-F123 HydrophobicContact CG1-CB 4.2Å; V36-F139 HydrophobicContact CG2-CE1 4.46Å; V36-F145 HydrophobicContact CG2-CB 4.07Å; V36-F145 HydrophobicContact CG2-CD2 4.07Å; V36-F145 HydrophobicContact CG2-CG 4.33Å; V36-K146 PolarHBondContact N-O 2.84Å; V36-I147 HydrophobicContact CB-CD1 3.74Å; V36-I147 HydrophobicContact CG1-CD1 4.44Å; V36-I147 HydrophobicContact CG2-CD1 4.19Å; V36-I147 WeakPolarHBondContact O-CA 3.41Å; V36-F148 PolarHBondContact O-N 3.42Å
37	I	98.7	Very high	82.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.8	171.2	-62.3	179	0	0	0	108.2	T35 M39 L54 L58 V120 A121 V122 F123 F148 I150 I234	T35-I37 HydrophobicContact CG2-CG1 4.35Å; I37-M39 HydrophobicContact CG2-SD 4.17Å; I37-L54 HydrophobicContact CD1-CD2 3.71Å; I37-L58 HydrophobicContact CD1-CD1 4.41Å; I37-V120 HydrophobicContact CD1-CG1 3.51Å; I37-V120 HydrophobicContact CG1-CG1 3.81Å; I37-A121 PolarHBondContact N-O 2.76Å; I37-V122 HydrophobicContact CB-CG2 4.27Å; I37-V122 HydrophobicContact CD1-CG2 4.24Å; I37-V122 HydrophobicContact CG2-CG1 4.35Å; I37-V122 CarbonylContact O-C 3.58Å; I37-F123 PolarHBondContact O-N 3.48Å; I37-F148 CarbonylContact C-O 3.51Å; I37-F148 VanDerWaalsContact CA-O 3.26Å; I37-F148 WeakPolarHBondContact CA-O 3.46Å; I37-I150 HydrophobicContact CG2-CD1 3.36Å; I37-I150 HydrophobicContact CG2-CG1 3.84Å; I37-I234 HydrophobicContact CD1-CD1 3.48Å; I37-I234 VanDerWaalsContact CD1-CD1 3.48Å; I37-I234 HydrophobicContact CD1-CG1 4.33Å; I37-I234 HydrophobicContact CG1-CD1 4.26Å
38	V	98.7	Very high	84.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112	-177.1	-177	0	0	0	0	109.3	V36 V40 N127 I136 I147 F148 F149 I150	V36-V38 HydrophobicContact CG1-CG2 4.08Å; V38-V40 HydrophobicContact CG1-CG2 4.43Å; V38-N127 HydrophobicContact CG1-CB 4.25Å; V38-N127 WeakPolarHBondContact CG1-ND2 3.11Å; V38-I136 HydrophobicContact CG1-CD1 3.92Å; V38-I136 HydrophobicContact CG2-CG2 3.61Å; V38-I147 HydrophobicContact CG2-CG2 3.86Å; V38-F148 PolarHBondContact N-O 3.33Å; V38-F149 HydrophobicContact CB-CD1 3.54Å; V38-F149 HydrophobicContact CB-CE1 3.84Å; V38-F149 HydrophobicContact CB-CG 4.37Å; V38-F149 HydrophobicContact CG1-CD1 3.69Å; V38-F149 HydrophobicContact CG1-CE1 3.78Å; V38-F149 HydrophobicContact CG2-CD1 4.32Å; V38-F149 HydrophobicContact CG2-CE1 4.21Å; V38-F149 WeakPolarHBondContact O-CA 3.32Å; V38-I150 PolarHBondContact O-N 3.46Å
39	M	98.5	Very high	86.6	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.4	176.2	-56.3	-54.7	-61.8	0	0	110.1	I37 K47 I50 S51 V122 F123 D124 A125 N127 I150	I37-M39 HydrophobicContact CG2-SD 4.17Å; M39-K47 HydrophobicContact CB-CB 4.35Å; M39-K47 HydrophobicContact CB-CD 4.09Å; M39-K47 HydrophobicContact CB-CG 4.49Å; M39-K47 HydrophobicContact CE-CB 4.15Å; M39-K47 HydrophobicContact CE-CG 4.45Å; M39-I50 HydrophobicContact CE-CB 3.97Å; M39-I50 HydrophobicContact CE-CG2 3.85Å; M39-S51 VanDerWaalsContact CG-OG 3.3Å; M39-S51 WeakPolarHBondContact CG-OG 3.4Å; M39-V122 HydrophobicContact CG-CG1 4.07Å; M39-V122 HydrophobicContact SD-CG1 4.12Å; M39-F123 PolarHBondContact N-O 2.6Å; M39-F123 VanDerWaalsContact N-O 3.09Å; M39-D124 HydrophobicContact CG-CB 4.35Å; M39-A125 VanDerWaalsContact O-O 3.13Å; M39-N127 WeakPolarHBondContact O-CB 3.3Å; M39-N127 PolarHBondContact O-ND2 3.32Å; M39-I150 CarbonylContact C-O 3.53Å; M39-I150 WeakPolarHBondContact CA-O 3.11Å; M39-I150 HydrophobicContact CE-CB 4.04Å; M39-I150 HydrophobicContact CE-CG2 3.85Å; M39-I150 HydrophobicContact SD-CB 3.93Å; M39-I150 HydrophobicContact SD-CD1 4.18Å; M39-I150 HydrophobicContact SD-CG2 4.37Å
40	V	98.4	Very high	89	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.8	179.4	-177.6	0	0	0	0	109.9	V38 T126 N127 F149 I150 E151 S152	V38-V40 HydrophobicContact CG1-CG2 4.43Å; V40-T126 CarbonylContact C-O 3.22Å; V40-T126 WeakPolarHBondContact CA-O 3.24Å; V40-N127 HydrophobicContact CG2-CB 4.23Å; V40-F149 HydrophobicContact CG2-CB 4.38Å; V40-F149 HydrophobicContact CG2-CD1 3.84Å; V40-I150 PolarHBondContact N-O 2.76Å; V40-E151 HydrophobicContact CB-CB 3.94Å; V40-E151 HydrophobicContact CB-CG 4.05Å; V40-E151 HydrophobicContact CG1-CB 4.3Å; V40-E151 HydrophobicContact CG1-CG 3.95Å; V40-E151 WeakPolarHBondContact O-CA 3.42Å; V40-S152 PolarHBondContact O-N 3.5Å
41	G	96.5	Very high	91	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	134.3	170.2	169.1	0	0	0	0	0	113.9	K47 T126	G41-K47 WeakPolarHBondContact O-CE 3.33Å; G41-K47 PolarHBondContact O-NZ 3.44Å; G41-T126 PolarHBondContact N-O 2.83Å
42	L	95.3	Very high	92.7	Very high	12 Å²	12	18.8 Å²	18.8	6%	0.063	10%	0.103	C	C	.	.			trans	-63	159.5	-177.6	-65.1	176.3	0	0	0	112.9	R45 K47 T128 Y197	L42-R45 HydrophobicContact CB-CG 4.01Å; L42-R45 WeakPolarHBondContact O-CB 3.47Å; L42-R45 WeakPolarHBondContact O-CG 3.46Å; L42-K47 PolarHBondContact O-NZ 3.49Å; L42-T128 HydrophobicContact CD2-CG2 4.28Å; L42-Y197 HydrophobicContact CD1-CD1 4.07Å; L42-Y197 HydrophobicContact CD1-CE1 4.38Å; L42-Y197 HydrophobicContact CD2-CD1 4.01Å; L42-Y197 HydrophobicContact CD2-CG 4.03Å; L42-Y197 HydrophobicContact CG-CD1 3.86Å; L42-Y197 HydrophobicContact CG-CE1 4.13Å; L42-Y197 HydrophobicContact CG-CG 4.33Å
43	P	92.6	Very high	93.7	Very high	9 Å²	9	15.3 Å²	15.3	6%	0.058	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	155.8	171	-20.9	32.1	0	0	0	112.5	R45 T126 F186 I190 Y193	P43-R45 VanDerWaalsContact C-N 3.25Å; P43-R45 PolarHBondContact O-N 3Å; P43-T126 HydrophobicContact CG-CG2 4.19Å; P43-F186 HydrophobicContact CB-CE1 3.74Å; P43-F186 HydrophobicContact CB-CZ 3.75Å; P43-I190 HydrophobicContact CB-CG1 3.93Å; P43-I190 HydrophobicContact CG-CG1 4.29Å; P43-Y193 HydrophobicContact CG-CD2 3.64Å; P43-Y193 HydrophobicContact CG-CE2 4.07Å; P43-Y193 HydrophobicContact CG-CG 4.27Å
44	A	88.8	Confident	94	Very high	6 Å²	6	12.4 Å²	12.4	5%	0.05	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	23.2	-177.1	0	0	0	0	0	116.6	N163 I164 F186 I190	A44-N163 HydrophobicContact CB-CB 4.32Å; A44-N163 PolarHBondContact O-ND2 3.42Å; A44-I164 HydrophobicContact CB-CD1 4.36Å; A44-I164 HydrophobicContact CB-CG1 3.65Å; A44-F186 HydrophobicContact CB-CE1 3.76Å; A44-I190 HydrophobicContact CB-CD1 4.29Å
45	R	90.5	Very high	94.1	Very high	12 Å²	12	11.5 Å²	11.5	5%	0.045	6%	0.06	C	C	.	.	S	Bend	trans	-97.6	22	173.8	-54.6	-60.4	171.9	-172.8	4.3	114.8	L42 P43 K47 S152 C154 I160	L42-R45 HydrophobicContact CB-CG 4.01Å; L42-R45 WeakPolarHBondContact O-CB 3.47Å; L42-R45 WeakPolarHBondContact O-CG 3.46Å; P43-R45 VanDerWaalsContact C-N 3.25Å; P43-R45 PolarHBondContact O-N 3Å; R45-K47 VanDerWaalsContact C-N 3.26Å; R45-K47 PolarHBondContact O-N 3.05Å; R45-S152 VanDerWaalsContact O-CB 3.26Å; R45-S152 WeakPolarHBondContact O-CB 3.29Å; R45-S152 PolarHBondContact O-OG 3.04Å; R45-C154 PolarHBondContact NE-O 3.26Å; R45-C154 VanDerWaalsContact NH1-C 3.3Å; R45-C154 PolarHBondContact NH1-O 3.22Å; R45-C154 PolarHBondContact NH2-O 2.72Å; R45-C154 VanDerWaalsContact NH2-O 3.13Å; R45-I160 VanDerWaalsContact CZ-CD1 3.44Å; R45-I160 VanDerWaalsContact CZ-CG1 3.45Å
46	G	88.1	Confident	94	Very high	23 Å²	23	12.6 Å²	12.6	24%	0.237	6%	0.064	C	C	.	.	S	Bend	trans	70.5	11.3	177.5	0	0	0	0	0	116.1	T48 Y49 I50	G46-T48 PolarHBondContact O-N 3.06Å; G46-Y49 VanDerWaalsContact O-CB 3.31Å; G46-Y49 WeakPolarHBondContact O-CB 3.27Å; G46-Y49 PolarHBondContact O-N 2.7Å; G46-Y49 VanDerWaalsContact O-N 3.1Å; G46-I50 WeakPolarHBondContact O-CG1 3.38Å; G46-I50 PolarHBondContact O-N 2.83Å
47	K	92.2	Very high	93.8	Very high	16 Å²	16	12.6 Å²	12.6	7%	0.07	6%	0.064	C	C	.	.	H	α-helix	trans	-52.6	-55.5	178.5	-64.4	-171.2	-57.6	-76.3	0	112.8	M39 G41 L42 R45 Y49 I50 S51 A125	M39-K47 HydrophobicContact CB-CB 4.35Å; M39-K47 HydrophobicContact CB-CD 4.09Å; M39-K47 HydrophobicContact CB-CG 4.49Å; M39-K47 HydrophobicContact CE-CB 4.15Å; M39-K47 HydrophobicContact CE-CG 4.45Å; G41-K47 WeakPolarHBondContact O-CE 3.33Å; G41-K47 PolarHBondContact O-NZ 3.44Å; L42-K47 PolarHBondContact O-NZ 3.49Å; R45-K47 VanDerWaalsContact C-N 3.26Å; R45-K47 PolarHBondContact O-N 3.05Å; K47-Y49 PolarHBondContact O-N 3.21Å; K47-I50 PolarHBondContact O-N 2.97Å; K47-I50 VanDerWaalsContact O-N 3.1Å; K47-S51 PolarHBondContact O-N 3.39Å; K47-S51 PolarHBondContact O-OG 2.91Å; K47-A125 WeakPolarHBondContact CD-O 3.43Å; K47-A125 WeakPolarHBondContact CE-O 3.45Å
48	T	89.9	Confident	93.7	Very high	18 Å²	18	12.6 Å²	12.6	11%	0.11	6%	0.064	C	C	.	.	H	α-helix	trans	-61.4	-31.9	178.8	-49.8	0	0	0	0	112.8	G46 K52 D124 Y424	G46-T48 PolarHBondContact O-N 3.06Å; T48-K52 WeakPolarHBondContact O-CG 3.46Å; T48-K52 PolarHBondContact O-N 2.77Å; T48-K52 VanDerWaalsContact O-N 3.08Å; T48-D124 VanDerWaalsContact CA-OD2 3.32Å; T48-D124 WeakPolarHBondContact CA-OD2 3.35Å; T48-D124 VanDerWaalsContact CB-OD2 3.32Å; T48-D124 WeakPolarHBondContact CB-OD2 3.11Å; T48-D124 WeakPolarHBondContact CG2-OD2 3.42Å; T48-D124 PolarHBondContact OG1-OD2 3.34Å; T48-Y424 HydrophobicContact CG2-CE1 3.68Å
49	Y	89.3	Confident	93.5	Very high	46 Å²	46	12.7 Å²	12.7	18%	0.18	6%	0.064	C	C	.	.	H	α-helix	trans	-63.2	-52.8	172.8	171.7	-88.8	0	0	0	110.2	G46 K47 S51 K52 K53 H242 V243 A423	G46-Y49 VanDerWaalsContact O-CB 3.31Å; G46-Y49 WeakPolarHBondContact O-CB 3.27Å; G46-Y49 PolarHBondContact O-N 2.7Å; G46-Y49 VanDerWaalsContact O-N 3.1Å; K47-Y49 PolarHBondContact O-N 3.21Å; Y49-S51 PolarHBondContact O-N 3.27Å; Y49-K52 PolarHBondContact O-N 2.89Å; Y49-K53 HydrophobicContact CE1-CD 3.88Å; Y49-K53 VanDerWaalsContact O-CB 3.31Å; Y49-K53 WeakPolarHBondContact O-CB 3.45Å; Y49-K53 PolarHBondContact O-N 3.35Å; Y49-K53 PolarHBondContact OH-NZ 2.82Å; Y49-H242 PolarHBondContact OH-O 2.93Å; Y49-V243 HydrophobicContact CD1-CG1 4.3Å; Y49-V243 HydrophobicContact CE1-CG1 3.83Å; Y49-A423 VanDerWaalsContact CD2-O 3.31Å; Y49-A423 WeakPolarHBondContact CD2-O 3.45Å
50	I	93	Very high	93.3	Very high	12 Å²	12	13 Å²	13	6%	0.062	7%	0.066	C	C	.	.	H	α-helix	trans	-57.7	-48.2	177	-66.5	169.2	0	0	0	110.4	M39 G46 K47 K52 K53 L54 I150 L238	M39-I50 HydrophobicContact CE-CB 3.97Å; M39-I50 HydrophobicContact CE-CG2 3.85Å; G46-I50 WeakPolarHBondContact O-CG1 3.38Å; G46-I50 PolarHBondContact O-N 2.83Å; K47-I50 PolarHBondContact O-N 2.97Å; K47-I50 VanDerWaalsContact O-N 3.1Å; I50-K52 PolarHBondContact O-N 3.09Å; I50-K53 PolarHBondContact O-N 2.82Å; I50-L54 WeakPolarHBondContact O-CB 3.42Å; I50-L54 PolarHBondContact O-N 3.31Å; I50-I150 HydrophobicContact CG2-CG2 4.37Å; I50-L238 HydrophobicContact CG2-CD2 3.53Å
51	S	94.1	Very high	93.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-54.6	-53.9	-180	-58.3	0	0	0	0	111.9	M39 K47 Y49 T55	M39-S51 VanDerWaalsContact CG-OG 3.3Å; M39-S51 WeakPolarHBondContact CG-OG 3.4Å; K47-S51 PolarHBondContact O-N 3.39Å; K47-S51 PolarHBondContact O-OG 2.91Å; Y49-S51 PolarHBondContact O-N 3.27Å; S51-T55 WeakPolarHBondContact O-CB 3.39Å; S51-T55 PolarHBondContact O-N 3.42Å; S51-T55 PolarHBondContact O-OG1 2.85Å
52	K	91.8	Very high	92.8	Very high	78 Å²	78	13.5 Å²	13.5	34%	0.339	7%	0.068	S	C	.	.	H	α-helix	trans	-66.3	-43.9	-178.2	-72.3	-170.2	178.9	-173	0	112	T48 Y49 I50 L54 T55 R56 Y424	T48-K52 WeakPolarHBondContact O-CG 3.46Å; T48-K52 PolarHBondContact O-N 2.77Å; T48-K52 VanDerWaalsContact O-N 3.08Å; Y49-K52 PolarHBondContact O-N 2.89Å; I50-K52 PolarHBondContact O-N 3.09Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-L54 PolarHBondContact O-N 3.28Å; K52-T55 PolarHBondContact O-N 3.29Å; K52-R56 WeakPolarHBondContact O-CB 3.49Å; K52-R56 PolarHBondContact O-N 3.36Å; K52-Y424 HydrophobicContact CD-CD1 3.68Å; K52-Y424 HydrophobicContact CD-CE1 4.33Å; K52-Y424 HydrophobicContact CD-CG 4.32Å
53	K	93.1	Very high	92.7	Very high	10 Å²	10	13.6 Å²	13.6	4%	0.043	7%	0.069	C	C	.	.	H	α-helix	trans	-67	-37.2	-178.5	-147	-167.8	178.5	173.1	0	112	Y49 I50 Y57 Y237 I241 E377	Y49-K53 HydrophobicContact CE1-CD 3.88Å; Y49-K53 VanDerWaalsContact O-CB 3.31Å; Y49-K53 WeakPolarHBondContact O-CB 3.45Å; Y49-K53 PolarHBondContact O-N 3.35Å; Y49-K53 PolarHBondContact OH-NZ 2.82Å; I50-K53 PolarHBondContact O-N 2.82Å; K53-Y57 PolarHBondContact O-N 2.84Å; K53-Y57 VanDerWaalsContact O-N 3.12Å; K53-Y237 VanDerWaalsContact CG-OH 3.32Å; K53-Y237 WeakPolarHBondContact CG-OH 3.26Å; K53-Y237 PolarHBondContact O-OH 3.2Å; K53-I241 HydrophobicContact CD-CB 4.48Å; K53-I241 HydrophobicContact CD-CD1 4.33Å; K53-I241 HydrophobicContact CD-CG2 4.13Å; K53-E377 WeakPolarHBondContact CE-OE1 3.44Å; K53-E377 WeakPolarHBondContact CE-OE2 3.49Å; K53-E377 IonicContact NZ-OE1 3.7Å; K53-E377 IonicContact NZ-OE2 2.95Å; K53-E377 PolarHBondContact NZ-OE2 3.08Å
54	L	95.2	Very high	92.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-69.9	-45.1	175.5	-179.3	63.8	0	0	0	111.2	I37 I50 K52 R56 Y57 L58 I150 I234 Y237	I37-L54 HydrophobicContact CD1-CD2 3.71Å; I50-L54 WeakPolarHBondContact O-CB 3.42Å; I50-L54 PolarHBondContact O-N 3.31Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-L54 PolarHBondContact O-N 3.28Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.43Å; L54-Y57 HydrophobicContact CD1-CD1 4.31Å; L54-Y57 PolarHBondContact O-N 3.1Å; L54-L58 HydrophobicContact CD1-CD1 4.12Å; L54-L58 HydrophobicContact CD1-CG 4.09Å; L54-L58 HydrophobicContact CD2-CD1 4.5Å; L54-L58 HydrophobicContact CG-CD1 3.91Å; L54-L58 HydrophobicContact CG-CG 4.28Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.49Å; L54-L58 PolarHBondContact O-N 2.75Å; L54-I150 HydrophobicContact CD2-CD1 3.77Å; L54-I234 HydrophobicContact CD1-CB 4.39Å; L54-I234 HydrophobicContact CD1-CG1 4.07Å; L54-I234 HydrophobicContact CD1-CG2 4.04Å; L54-I234 HydrophobicContact CD2-CG1 4.36Å; L54-I234 HydrophobicContact CD2-CG2 3.79Å; L54-Y237 HydrophobicContact CB-CE1 4.36Å; L54-Y237 HydrophobicContact CD1-CD1 3.6Å; L54-Y237 HydrophobicContact CD1-CE1 4.11Å; L54-Y237 HydrophobicContact CD1-CG 4.47Å
55	T	95.6	Very high	93	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.3	-44.1	174.9	-66.8	0	0	0	0	111.7	S51 K52 L58 N59 T65 V67 V122	S51-T55 WeakPolarHBondContact O-CB 3.39Å; S51-T55 PolarHBondContact O-N 3.42Å; S51-T55 PolarHBondContact O-OG1 2.85Å; K52-T55 PolarHBondContact O-N 3.29Å; T55-L58 PolarHBondContact O-N 2.99Å; T55-N59 WeakPolarHBondContact CG2-ND2 3.32Å; T55-N59 VanDerWaalsContact O-CB 3.31Å; T55-N59 WeakPolarHBondContact O-CB 3.46Å; T55-N59 PolarHBondContact O-N 2.66Å; T55-N59 PolarHBondContact O-ND2 3.13Å; T55-T65 HydrophobicContact CG2-CG2 3.88Å; T55-T65 WeakPolarHBondContact CG2-O 3.49Å; T55-T65 WeakPolarHBondContact OG1-CG2 3.36Å; T55-V67 HydrophobicContact CG2-CG2 4.13Å; T55-V67 WeakPolarHBondContact OG1-CG2 3.22Å; T55-V122 WeakPolarHBondContact OG1-CG2 3.48Å
56	R	94.5	Very high	93.3	Very high	23 Å²	23	14.6 Å²	14.6	9%	0.087	7%	0.073	C	C	.	.	H	α-helix	trans	-59	-47.3	175.3	-175.8	171.5	75	-178.1	-3.2	112.4	K52 L54 W60 Y397 F398 D400	K52-R56 WeakPolarHBondContact O-CB 3.49Å; K52-R56 PolarHBondContact O-N 3.36Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.43Å; R56-W60 VanDerWaalsContact O-CB 3.23Å; R56-W60 WeakPolarHBondContact O-CB 3.29Å; R56-W60 PolarHBondContact O-N 3.04Å; R56-Y397 WeakPolarHBondContact CD-O 3.43Å; R56-Y397 WeakPolarHBondContact CG-O 3.42Å; R56-Y397 PolarHBondContact NE-O 3.07Å; R56-F398 PolarHBondContact NH1-O 2.98Å; R56-D400 HydrophobicContact CG-CB 4.01Å
57	Y	95.8	Very high	93.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.1	-51.4	176.7	165.2	-113.6	0	0	0	112.3	K53 L54 N59 W60 I61 Y237 E370 M374 Y397	K53-Y57 PolarHBondContact O-N 2.84Å; K53-Y57 VanDerWaalsContact O-N 3.12Å; L54-Y57 HydrophobicContact CD1-CD1 4.31Å; L54-Y57 PolarHBondContact O-N 3.1Å; Y57-N59 VanDerWaalsContact C-N 3.35Å; Y57-N59 PolarHBondContact O-N 3.29Å; Y57-W60 PolarHBondContact O-N 3.15Å; Y57-W60 VanDerWaalsContact O-N 3.13Å; Y57-I61 HydrophobicContact CD2-CG2 4.03Å; Y57-I61 HydrophobicContact CE1-CD1 4.14Å; Y57-I61 HydrophobicContact CE2-CD1 4.34Å; Y57-I61 HydrophobicContact CE2-CG2 3.55Å; Y57-I61 WeakPolarHBondContact O-CG1 3.27Å; Y57-I61 PolarHBondContact O-N 3.34Å; Y57-Y237 AromaticContact CD1-CD1 3.95Å; Y57-Y237 HydrophobicContact CD1-CD1 3.95Å; Y57-Y237 AromaticContact CD1-CD2 3.7Å; Y57-Y237 HydrophobicContact CD1-CD2 3.7Å; Y57-Y237 HydrophobicContact CD1-CE1 4.3Å; Y57-Y237 HydrophobicContact CD1-CE2 4.1Å; Y57-Y237 AromaticContact CD1-CG 3.59Å; Y57-Y237 HydrophobicContact CD1-CG 3.59Å; Y57-Y237 HydrophobicContact CD2-CD2 4.04Å; Y57-Y237 HydrophobicContact CD2-CE2 4.04Å; Y57-Y237 HydrophobicContact CE1-CD2 4.02Å; Y57-Y237 AromaticContact CE1-CG 3.89Å; Y57-Y237 HydrophobicContact CE1-CG 3.89Å; Y57-Y237 HydrophobicContact CE2-CD2 4.36Å; Y57-Y237 HydrophobicContact CG-CD1 4.39Å; Y57-Y237 AromaticContact CG-CD2 3.7Å; Y57-Y237 HydrophobicContact CG-CD2 3.7Å; Y57-Y237 HydrophobicContact CG-CE1 4.35Å; Y57-Y237 AromaticContact CG-CE2 3.67Å; Y57-Y237 HydrophobicContact CG-CE2 3.67Å; Y57-Y237 HydrophobicContact CG-CG 4.04Å; Y57-Y237 AromaticContact CG-CZ 3.98Å; Y57-E370 HydrophobicContact CE2-CG 4.26Å; Y57-E370 PolarHBondContact OH-OE1 3.12Å; Y57-M374 HydrophobicContact CD2-CE 3.66Å; Y57-M374 HydrophobicContact CE2-CE 3.37Å; Y57-M374 HydrophobicContact CE2-SD 4.13Å; Y57-Y397 HydrophobicContact CD2-CE2 4.4Å
58	L	95.8	Very high	93.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.9	-46	-179.5	-70.3	176.5	0	0	0	110.9	I37 L54 T55 W60 I61 G62 I63 T65 V120 I234	I37-L58 HydrophobicContact CD1-CD1 4.41Å; L54-L58 HydrophobicContact CD1-CD1 4.12Å; L54-L58 HydrophobicContact CD1-CG 4.09Å; L54-L58 HydrophobicContact CD2-CD1 4.5Å; L54-L58 HydrophobicContact CG-CD1 3.91Å; L54-L58 HydrophobicContact CG-CG 4.28Å; L54-L58 WeakPolarHBondContact O-CB 3.48Å; L54-L58 WeakPolarHBondContact O-CG 3.49Å; L54-L58 PolarHBondContact O-N 2.75Å; T55-L58 PolarHBondContact O-N 2.99Å; L58-W60 PolarHBondContact O-N 3.3Å; L58-I61 HydrophobicContact CD2-CD1 4.3Å; L58-I61 WeakPolarHBondContact O-CG1 3.36Å; L58-I61 PolarHBondContact O-N 2.79Å; L58-G62 PolarHBondContact O-N 3.46Å; L58-I63 CarbonylContact C-O 3.56Å; L58-I63 VanDerWaalsContact C-O 3.27Å; L58-I63 HydrophobicContact CB-CB 4.19Å; L58-I63 HydrophobicContact CD2-CD1 4.09Å; L58-I63 WeakPolarHBondContact O-CA 3.47Å; L58-I63 WeakPolarHBondContact O-CB 3.48Å; L58-I63 PolarHBondContact O-N 2.94Å; L58-T65 HydrophobicContact CB-CG2 4.43Å; L58-T65 WeakPolarHBondContact CB-OG1 3.44Å; L58-T65 HydrophobicContact CD1-CG2 4.02Å; L58-V120 HydrophobicContact CD1-CB 4.5Å; L58-V120 HydrophobicContact CD1-CG1 4.12Å; L58-I234 HydrophobicContact CD1-CG1 4.39Å; L58-I234 HydrophobicContact CD2-CG1 4.36Å
59	N	94.4	Very high	94.1	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-60.2	-47.3	174	-80.6	-38.8	0	0	0	111.4	T55 Y57 I61 G62 I63 T65 P463 L464	T55-N59 WeakPolarHBondContact CG2-ND2 3.32Å; T55-N59 VanDerWaalsContact O-CB 3.31Å; T55-N59 WeakPolarHBondContact O-CB 3.46Å; T55-N59 PolarHBondContact O-N 2.66Å; T55-N59 PolarHBondContact O-ND2 3.13Å; Y57-N59 VanDerWaalsContact C-N 3.35Å; Y57-N59 PolarHBondContact O-N 3.29Å; N59-I61 VanDerWaalsContact C-N 3.3Å; N59-I61 PolarHBondContact O-N 2.91Å; N59-G62 WeakPolarHBondContact O-CA 3.3Å; N59-G62 PolarHBondContact O-N 3.04Å; N59-I63 PolarHBondContact N-O 3.28Å; N59-I63 PolarHBondContact OD1-O 3.49Å; N59-T65 PolarHBondContact ND2-O 2.91Å; N59-T65 PolarHBondContact OD1-N 2.89Å; N59-T65 PolarHBondContact OD1-O 3.27Å; N59-P463 WeakPolarHBondContact O-CA 3.08Å; N59-P463 WeakPolarHBondContact O-CB 3.31Å; N59-P463 WeakPolarHBondContact O-CG 3.48Å; N59-L464 VanDerWaalsContact CB-O 3.26Å; N59-L464 WeakPolarHBondContact CB-O 3.49Å
60	W	95.3	Very high	94.4	Very high	7 Å²	7	12.9 Å²	12.9	3%	0.027	6%	0.063	C	C	.	.	H	α-helix	trans	-58.3	-38.6	-178.5	-179	83.2	0	0	0	113.1	R56 Y57 L58 G62 V366 V369 E370 I373 C393 Y397 P463	R56-W60 VanDerWaalsContact O-CB 3.23Å; R56-W60 WeakPolarHBondContact O-CB 3.29Å; R56-W60 PolarHBondContact O-N 3.04Å; Y57-W60 PolarHBondContact O-N 3.15Å; Y57-W60 VanDerWaalsContact O-N 3.13Å; L58-W60 PolarHBondContact O-N 3.3Å; W60-G62 PolarHBondContact O-N 3.41Å; W60-V366 HydrophobicContact CD2-CG1 4.15Å; W60-V366 HydrophobicContact CE3-CG1 4.16Å; W60-V366 HydrophobicContact CH2-CG1 4.06Å; W60-V366 VanDerWaalsContact CH2-O 3.24Å; W60-V366 WeakPolarHBondContact CH2-O 3.35Å; W60-V366 HydrophobicContact CZ2-CB 4.36Å; W60-V366 HydrophobicContact CZ2-CG1 4.08Å; W60-V366 HydrophobicContact CZ2-CG2 4.22Å; W60-V366 HydrophobicContact CZ3-CG1 4.11Å; W60-V366 WeakPolarHBondContact O-CG1 3.36Å; W60-V369 HydrophobicContact CH2-CB 4.32Å; W60-V369 HydrophobicContact CH2-CG1 4.32Å; W60-V369 HydrophobicContact CZ2-CG1 4.4Å; W60-E370 HydrophobicContact CH2-CB 4.47Å; W60-E370 HydrophobicContact CZ3-CB 4.04Å; W60-E370 HydrophobicContact CZ3-CG 4.39Å; W60-I373 HydrophobicContact CE3-CG1 4.5Å; W60-I373 HydrophobicContact CH2-CG1 3.57Å; W60-I373 HydrophobicContact CZ2-CG1 3.95Å; W60-I373 HydrophobicContact CZ3-CB 4.43Å; W60-I373 HydrophobicContact CZ3-CG1 3.88Å; W60-C393 PolarHBondContact NE1-O 3.22Å; W60-Y397 HydrophobicContact CB-CD2 4Å; W60-Y397 HydrophobicContact CD2-CD2 4.01Å; W60-Y397 HydrophobicContact CD2-CG 4.46Å; W60-Y397 HydrophobicContact CE3-CD2 4.29Å; W60-Y397 AromaticContact CG-CD2 3.87Å; W60-Y397 HydrophobicContact CG-CD2 3.87Å; W60-Y397 HydrophobicContact CG-CG 4.41Å; W60-P463 VanDerWaalsContact O-CG 3.3Å; W60-P463 WeakPolarHBondContact O-CG 3.41Å
61	I	93.9	Very high	94.3	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.041	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.6	174.3	65.2	171.2	0	0	0	114.1	Y57 L58 N59 I63 K233 Q367 E370	Y57-I61 HydrophobicContact CD2-CG2 4.03Å; Y57-I61 HydrophobicContact CE1-CD1 4.14Å; Y57-I61 HydrophobicContact CE2-CD1 4.34Å; Y57-I61 HydrophobicContact CE2-CG2 3.55Å; Y57-I61 WeakPolarHBondContact O-CG1 3.27Å; Y57-I61 PolarHBondContact O-N 3.34Å; L58-I61 HydrophobicContact CD2-CD1 4.3Å; L58-I61 WeakPolarHBondContact O-CG1 3.36Å; L58-I61 PolarHBondContact O-N 2.79Å; N59-I61 VanDerWaalsContact C-N 3.3Å; N59-I61 PolarHBondContact O-N 2.91Å; I61-I63 HydrophobicContact CD1-CD1 3.75Å; I61-I63 HydrophobicContact CD1-CG1 4.22Å; I61-I63 HydrophobicContact CG1-CD1 4.25Å; I61-I63 HydrophobicContact CG1-CG1 4.16Å; I61-K233 HydrophobicContact CD1-CD 4.16Å; I61-Q367 PolarHBondContact O-NE2 3.02Å; I61-Q367 VanDerWaalsContact O-NE2 3.12Å; I61-E370 HydrophobicContact CG2-CG 4.06Å
62	G	89.8	Confident	94.2	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	38.9	-179.2	0	0	0	0	0	113.9	L58 N59 W60 V461	L58-G62 PolarHBondContact O-N 3.46Å; N59-G62 WeakPolarHBondContact O-CA 3.3Å; N59-G62 PolarHBondContact O-N 3.04Å; W60-G62 PolarHBondContact O-N 3.41Å; G62-V461 WeakPolarHBondContact CA-O 3.15Å; G62-V461 WeakPolarHBondContact O-CA 3.48Å; G62-V461 VanDerWaalsContact O-CG1 3.23Å; G62-V461 WeakPolarHBondContact O-CG1 3.49Å
63	I	92.4	Very high	94.3	Very high	15 Å²	15	13 Å²	13	8%	0.077	7%	0.069	C	C	.	.			trans	-115.8	102.7	169.2	-60.4	178.9	0	0	0	107.5	L58 N59 I61 T65 Q119 V120 I230	L58-I63 CarbonylContact C-O 3.56Å; L58-I63 VanDerWaalsContact C-O 3.27Å; L58-I63 HydrophobicContact CB-CB 4.19Å; L58-I63 HydrophobicContact CD2-CD1 4.09Å; L58-I63 WeakPolarHBondContact O-CA 3.47Å; L58-I63 WeakPolarHBondContact O-CB 3.48Å; L58-I63 PolarHBondContact O-N 2.94Å; N59-I63 PolarHBondContact N-O 3.28Å; N59-I63 PolarHBondContact OD1-O 3.49Å; I61-I63 HydrophobicContact CD1-CD1 3.75Å; I61-I63 HydrophobicContact CD1-CG1 4.22Å; I61-I63 HydrophobicContact CG1-CD1 4.25Å; I61-I63 HydrophobicContact CG1-CG1 4.16Å; I63-T65 PolarHBondContact O-N 3.45Å; I63-T65 PolarHBondContact O-OG1 3.24Å; I63-Q119 HydrophobicContact CG2-CB 4.14Å; I63-V120 HydrophobicContact CG2-CG2 3.71Å; I63-I230 HydrophobicContact CD1-CG1 4.45Å
64	P	92.6	Very high	94.3	Very high	10 Å²	10	13 Å²	13	7%	0.065	7%	0.069	C	C	.	.			trans	-54.9	109.5	-178.9	-27.8	34.9	0	0	0	111.2	Y112 Q119 V120 S460 L464	P64-Y112 PolarHBondContact O-OH 3.42Å; P64-Q119 HydrophobicContact CG-CG 4.49Å; P64-Q119 PolarHBondContact O-N 2.76Å; P64-V120 PolarHBondContact O-N 2.79Å; P64-S460 WeakPolarHBondContact CD-O 3.43Å; P64-S460 WeakPolarHBondContact CG-O 3.48Å; P64-L464 HydrophobicContact CB-CD1 4.1Å
65	T	95.6	Very high	94.1	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.012	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.6	-173	-54.6	0	0	0	0	111	T55 L58 N59 I63 Y112 V120 V122	T55-T65 HydrophobicContact CG2-CG2 3.88Å; T55-T65 WeakPolarHBondContact CG2-O 3.49Å; T55-T65 WeakPolarHBondContact OG1-CG2 3.36Å; L58-T65 HydrophobicContact CB-CG2 4.43Å; L58-T65 WeakPolarHBondContact CB-OG1 3.44Å; L58-T65 HydrophobicContact CD1-CG2 4.02Å; N59-T65 PolarHBondContact ND2-O 2.91Å; N59-T65 PolarHBondContact OD1-N 2.89Å; N59-T65 PolarHBondContact OD1-O 3.27Å; I63-T65 PolarHBondContact O-N 3.45Å; I63-T65 PolarHBondContact O-OG1 3.24Å; T65-Y112 PolarHBondContact N-OH 3.03Å; T65-V120 VanDerWaalsContact CA-O 3.24Å; T65-V120 WeakPolarHBondContact CA-O 3.45Å; T65-V120 HydrophobicContact CG2-CB 3.95Å; T65-V120 HydrophobicContact CG2-CG1 3.92Å; T65-V122 HydrophobicContact CG2-CG2 3.9Å
66	K	96	Very high	93.8	Very high	36 Å²	36	20.3 Å²	20.3	16%	0.157	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	140.8	177.2	-174.7	170.6	179.6	-170.4	0	111.8	F68 Y112 V120 V122 P467	K66-F68 HydrophobicContact CB-CE2 3.91Å; K66-F68 HydrophobicContact CB-CZ 4.26Å; K66-F68 HydrophobicContact CD-CE1 4.3Å; K66-F68 HydrophobicContact CD-CE2 4.24Å; K66-F68 HydrophobicContact CD-CZ 3.77Å; K66-F68 HydrophobicContact CG-CE2 3.93Å; K66-F68 HydrophobicContact CG-CZ 3.98Å; K66-Y112 HydrophobicContact CB-CD1 4.07Å; K66-Y112 HydrophobicContact CB-CD2 4.34Å; K66-Y112 HydrophobicContact CB-CE1 3.6Å; K66-Y112 HydrophobicContact CB-CE2 3.91Å; K66-Y112 HydrophobicContact CB-CG 4.42Å; K66-Y112 HydrophobicContact CD-CD2 3.89Å; K66-Y112 HydrophobicContact CD-CE2 4.01Å; K66-Y112 HydrophobicContact CD-CG 4.25Å; K66-V120 PolarHBondContact N-O 3.31Å; K66-V120 VanDerWaalsContact N-O 3.16Å; K66-V122 PolarHBondContact O-N 3.42Å; K66-P467 HydrophobicContact CD-CG 4.17Å; K66-P467 HydrophobicContact CG-CG 3.99Å
67	V	96.3	Very high	93.5	Very high	29 Å²	29	21.7 Å²	21.7	18%	0.176	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.6	173.2	-175.5	0	0	0	0	110.1	T55 V122 D124	T55-V67 HydrophobicContact CG2-CG2 4.13Å; T55-V67 WeakPolarHBondContact OG1-CG2 3.22Å; V67-V122 CarbonylContact C-O 3.52Å; V67-V122 WeakPolarHBondContact CA-O 3.3Å; V67-V122 HydrophobicContact CG2-CB 4.24Å; V67-D124 HydrophobicContact CG1-CB 4Å
68	F	96.9	Very high	93	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.013	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	94.2	172.4	-61.6	-95.1	0	0	0	107.9	K66 V70 D108 V109 Y112 A121 V122 F123 D124	K66-F68 HydrophobicContact CB-CE2 3.91Å; K66-F68 HydrophobicContact CB-CZ 4.26Å; K66-F68 HydrophobicContact CD-CE1 4.3Å; K66-F68 HydrophobicContact CD-CE2 4.24Å; K66-F68 HydrophobicContact CD-CZ 3.77Å; K66-F68 HydrophobicContact CG-CE2 3.93Å; K66-F68 HydrophobicContact CG-CZ 3.98Å; F68-V70 PolarHBondContact O-N 3.17Å; F68-D108 HydrophobicContact CD1-CB 4Å; F68-D108 HydrophobicContact CE1-CB 3.72Å; F68-V109 HydrophobicContact CB-CG2 4.09Å; F68-V109 HydrophobicContact CD1-CG2 3.93Å; F68-V109 HydrophobicContact CD2-CG2 3.52Å; F68-V109 HydrophobicContact CE1-CG2 4.23Å; F68-V109 HydrophobicContact CE2-CG2 3.86Å; F68-V109 HydrophobicContact CG-CG2 3.56Å; F68-V109 HydrophobicContact CZ-CG2 4.2Å; F68-Y112 HydrophobicContact CE2-CD1 4.01Å; F68-Y112 HydrophobicContact CE2-CG 4.37Å; F68-Y112 AromaticContact CZ-CD1 3.96Å; F68-Y112 HydrophobicContact CZ-CD1 3.96Å; F68-Y112 AromaticContact CZ-CG 3.86Å; F68-Y112 HydrophobicContact CZ-CG 3.86Å; F68-A121 HydrophobicContact CD2-CB 4.07Å; F68-A121 HydrophobicContact CE2-CB 3.72Å; F68-V122 PolarHBondContact N-O 2.93Å; F68-F123 HydrophobicContact CB-CD2 4.49Å; F68-D124 PolarHBondContact O-N 3.48Å
69	N	94.6	Very high	92.1	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.102	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.8	-177.2	-174.2	-63.8	0	0	0	110.4	G71 E72 Y73 D124	N69-G71 PolarHBondContact O-N 2.87Å; N69-G71 WeakPolarHBondContact OD1-CA 3.47Å; N69-G71 PolarHBondContact OD1-N 3.33Å; N69-E72 HydrophobicContact CB-CG 4.07Å; N69-E72 WeakPolarHBondContact O-CB 3.37Å; N69-E72 PolarHBondContact O-N 2.56Å; N69-E72 PolarHBondContact OD1-N 2.85Å; N69-Y73 WeakPolarHBondContact O-CD2 3.18Å; N69-D124 HydrophobicContact CB-CB 4.45Å; N69-D124 PolarHBondContact ND2-OD2 3.49Å
70	V	95	Very high	91.2	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.097	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-23	-177.6	-179.4	0	0	0	0	112.3	F68 E72 Y73 R74 C101 A102 A105 F123 D124 A125	F68-V70 PolarHBondContact O-N 3.17Å; V70-E72 VanDerWaalsContact C-N 3.31Å; V70-E72 PolarHBondContact O-N 2.91Å; V70-Y73 PolarHBondContact O-N 3.29Å; V70-R74 WeakPolarHBondContact O-CB 3.5Å; V70-R74 PolarHBondContact O-N 3.19Å; V70-C101 HydrophobicContact CG1-CB 4.13Å; V70-A102 HydrophobicContact CG1-CB 4.26Å; V70-A105 HydrophobicContact CG2-CB 4.08Å; V70-F123 HydrophobicContact CG2-CD2 4.45Å; V70-F123 HydrophobicContact CG2-CE1 4.1Å; V70-F123 HydrophobicContact CG2-CE2 3.72Å; V70-F123 HydrophobicContact CG2-CZ 3.51Å; V70-D124 PolarHBondContact N-O 3.45Å; V70-A125 HydrophobicContact CB-CB 3.93Å; V70-A125 HydrophobicContact CG2-CB 3.74Å
71	G	91.5	Very high	90.7	Very high	19 Å²	19	40.5 Å²	40.5	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-65.4	-29.7	172.5	0	0	0	0	0	113.9	N69 R75	N69-G71 PolarHBondContact O-N 2.87Å; N69-G71 WeakPolarHBondContact OD1-CA 3.47Å; N69-G71 PolarHBondContact OD1-N 3.33Å; G71-R75 WeakPolarHBondContact O-CG 3.48Å; G71-R75 VanDerWaalsContact O-CZ 3.28Å; G71-R75 PolarHBondContact O-N 2.98Å; G71-R75 VanDerWaalsContact O-N 3.12Å; G71-R75 PolarHBondContact O-NH1 2.95Å
72	E	91.3	Very high	90	Very high	58 Å²	58	45 Å²	45	27%	0.271	24%	0.239	S	C	.	.	H	α-helix	trans	-70.3	-49.7	173.8	-68.8	173	177.1	0	0	110.8	N69 V70 R74 R75 E76	N69-E72 HydrophobicContact CB-CG 4.07Å; N69-E72 WeakPolarHBondContact O-CB 3.37Å; N69-E72 PolarHBondContact O-N 2.56Å; N69-E72 PolarHBondContact OD1-N 2.85Å; V70-E72 VanDerWaalsContact C-N 3.31Å; V70-E72 PolarHBondContact O-N 2.91Å; E72-R74 PolarHBondContact O-N 3.33Å; E72-R75 PolarHBondContact O-N 3.4Å; E72-E76 PolarHBondContact O-N 2.77Å
73	Y	94	Very high	90	Very high	15 Å²	15	46 Å²	46	6%	0.059	25%	0.246	C	C	.	.	H	α-helix	trans	-53.8	-42.2	173.2	-69.3	-96.8	0	0	0	111.9	N69 V70 E76 A77 A104 A105 D108 P474	N69-Y73 WeakPolarHBondContact O-CD2 3.18Å; V70-Y73 PolarHBondContact O-N 3.29Å; Y73-E76 PolarHBondContact O-N 2.99Å; Y73-A77 WeakPolarHBondContact O-CB 3.29Å; Y73-A77 PolarHBondContact O-N 2.93Å; Y73-A104 HydrophobicContact CD1-CB 4.13Å; Y73-A104 HydrophobicContact CE1-CB 4.48Å; Y73-A105 HydrophobicContact CD1-CB 4.38Å; Y73-A105 HydrophobicContact CD2-CB 3.86Å; Y73-A105 HydrophobicContact CE1-CB 4.21Å; Y73-A105 HydrophobicContact CE2-CB 3.68Å; Y73-A105 HydrophobicContact CG-CB 4.23Å; Y73-D108 WeakPolarHBondContact CE1-OD2 3.43Å; Y73-D108 VanDerWaalsContact CZ-OD2 3.3Å; Y73-D108 WeakPolarHBondContact OH-CB 3.26Å; Y73-D108 PolarHBondContact OH-OD2 2.87Å; Y73-P474 HydrophobicContact CE1-CB 4.17Å
74	R	93.8	Very high	89.9	Confident	10 Å²	10	47.8 Å²	47.8	4%	0.038	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-43.8	176.2	-176.6	-86.2	-63.2	179.7	-4.3	112.6	V70 E72 E76 A77 V78 F86 D173	V70-R74 WeakPolarHBondContact O-CB 3.5Å; V70-R74 PolarHBondContact O-N 3.19Å; E72-R74 PolarHBondContact O-N 3.33Å; R74-E76 PolarHBondContact O-N 3.48Å; R74-A77 PolarHBondContact O-N 3.01Å; R74-V78 WeakPolarHBondContact O-CB 3.36Å; R74-V78 PolarHBondContact O-N 2.91Å; R74-F86 HydrophobicContact CG-CE1 3.88Å; R74-F86 HydrophobicContact CG-CZ 4.04Å; R74-D173 IonicContact CZ-OD1 3.67Å; R74-D173 IonicContact CZ-OD2 3.44Å; R74-D173 IonicContact NH1-OD1 2.67Å; R74-D173 PolarHBondContact NH1-OD1 3.36Å; R74-D173 IonicContact NH1-OD2 3.54Å; R74-D173 IonicContact NH2-OD1 2.8Å; R74-D173 PolarHBondContact NH2-OD1 3.08Å; R74-D173 IonicContact NH2-OD2 3.63Å; R74-D173 PolarHBondContact NH2-OD2 3.47Å
75	R	90.4	Very high	89.9	Confident	67 Å²	67	50.2 Å²	50.2	25%	0.253	26%	0.264	S	S	.	.	H	α-helix	trans	-66.1	-29	179.7	-79.8	-174.2	-66.7	-85.1	-2.1	112.3	G71 E72 V78 D173	G71-R75 WeakPolarHBondContact O-CG 3.48Å; G71-R75 VanDerWaalsContact O-CZ 3.28Å; G71-R75 PolarHBondContact O-N 2.98Å; G71-R75 VanDerWaalsContact O-N 3.12Å; G71-R75 PolarHBondContact O-NH1 2.95Å; E72-R75 PolarHBondContact O-N 3.4Å; R75-V78 CarbonylContact O-C 3.58Å; R75-V78 VanDerWaalsContact O-O 3.06Å; R75-D173 WeakPolarHBondContact CD-OD1 3.26Å; R75-D173 VanDerWaalsContact CG-OD1 3.32Å; R75-D173 WeakPolarHBondContact CG-OD1 3.37Å; R75-D173 IonicContact NH1-OD2 2.66Å
76	E	89.3	Confident	89.7	Confident	86 Å²	86	51.3 Å²	51.3	40%	0.402	27%	0.269	S	S	.	.	H	α-helix	trans	-76.4	-41.3	174.7	-172.1	158	178.7	0	0	112.4	E72 Y73 R74 P474	E72-E76 PolarHBondContact O-N 2.77Å; Y73-E76 PolarHBondContact O-N 2.99Å; R74-E76 PolarHBondContact O-N 3.48Å; E76-P474 VanDerWaalsContact CD-CD 3.45Å; E76-P474 HydrophobicContact CG-CG 4.4Å; E76-P474 VanDerWaalsContact OE1-CD 3.27Å; E76-P474 WeakPolarHBondContact OE1-CD 3.42Å; E76-P474 WeakPolarHBondContact OE1-CG 3.47Å; E76-P474 WeakPolarHBondContact OE2-CD 3.46Å; E76-P474 WeakPolarHBondContact OE2-CG 3.45Å
77	A	88.4	Confident	89.5	Confident	53 Å²	53	49.9 Å²	49.9	44%	0.438	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-33.9	175.3	0	0	0	0	0	112.8	Y73 R74	Y73-A77 WeakPolarHBondContact O-CB 3.29Å; Y73-A77 PolarHBondContact O-N 2.93Å; R74-A77 PolarHBondContact O-N 3.01Å
78	V	86.5	Confident	89.2	Confident	35 Å²	35	51.5 Å²	51.5	21%	0.212	27%	0.268	C	S	.	.	S	Bend	trans	-122.9	93	-178.3	-173	0	0	0	0	108.8	R74 R75 N80 F86 I97	R74-V78 WeakPolarHBondContact O-CB 3.36Å; R74-V78 PolarHBondContact O-N 2.91Å; R75-V78 CarbonylContact O-C 3.58Å; R75-V78 VanDerWaalsContact O-O 3.06Å; V78-N80 VanDerWaalsContact C-N 3.29Å; V78-N80 PolarHBondContact O-N 2.93Å; V78-F86 HydrophobicContact CG2-CE2 4.06Å; V78-F86 HydrophobicContact CG2-CZ 4.16Å; V78-I97 HydrophobicContact CG2-CG2 3.79Å
79	K	75.1	Confident	88.8	Confident	191 Å²	191	55.1 Å²	55.1	83%	0.83	29%	0.291	S	S	*	.	S	Bend	trans	-57.5	-36.1	-171	-68.9	-176.5	178.3	175.5	0	114.1
80	N	77.6	Confident	88.6	Confident	141 Å²	141	60.1 Å²	60.1	75%	0.754	32%	0.318	S	S	*	.			trans	-121.1	119.7	-178.2	-65	-16.8	0	0	0	110.2	V78	V78-N80 VanDerWaalsContact C-N 3.29Å; V78-N80 PolarHBondContact O-N 2.93Å
81	Y	82.9	Confident	88.5	Confident	35 Å²	35	61.4 Å²	61.4	14%	0.137	33%	0.325	C	S	.	.			trans	-82.9	127.7	168	177.7	-103.5	0	0	0	109.1	S83 Y84 F87 D173 Y174 D185	Y81-S83 WeakPolarHBondContact CE2-O 3.44Å; Y81-S83 VanDerWaalsContact CZ-C 3.4Å; Y81-S83 PolarHBondContact OH-O 3.34Å; Y81-Y84 WeakPolarHBondContact OH-CA 3.32Å; Y81-Y84 PolarHBondContact OH-N 3.18Å; Y81-Y84 VanDerWaalsContact OH-N 3.11Å; Y81-F87 HydrophobicContact CD2-CE2 4.29Å; Y81-F87 HydrophobicContact CE2-CD2 4.11Å; Y81-F87 AromaticContact CE2-CE2 3.36Å; Y81-F87 HydrophobicContact CE2-CE2 3.36Å; Y81-F87 HydrophobicContact CE2-CZ 4.16Å; Y81-F87 AromaticContact CZ-CE2 3.93Å; Y81-D173 HydrophobicContact CD1-CB 3.88Å; Y81-D173 VanDerWaalsContact CD1-O 3.29Å; Y81-D173 WeakPolarHBondContact CD1-O 3.28Å; Y81-D173 HydrophobicContact CE1-CB 4.48Å; Y81-D173 HydrophobicContact CG-CB 4.03Å; Y81-Y174 HydrophobicContact CD1-CE1 4.46Å; Y81-Y174 HydrophobicContact CE1-CD1 4.43Å; Y81-Y174 AromaticContact CE1-CE1 3.72Å; Y81-Y174 HydrophobicContact CE1-CE1 3.72Å; Y81-Y174 AromaticContact CE1-CZ 3.84Å; Y81-Y174 PolarHBondContact OH-OH 2.66Å; Y81-D185 WeakPolarHBondContact CE1-OD2 3.4Å; Y81-D185 PolarHBondContact OH-OD2 2.8Å
82	S	81.1	Confident	88.5	Confident	102 Å²	102	67.2 Å²	67.2	71%	0.713	35%	0.347	S	S	*	.			trans	-98.4	-62.7	177.4	51.4	0	0	0	0	111.7
83	S	89.5	Confident	88.5	Confident	23 Å²	23	68 Å²	68	16%	0.161	36%	0.359	C	S	.	.			trans	-154.4	172.6	-173.8	74.3	0	0	0	0	112.6	Y81 D85 F86 D185	Y81-S83 WeakPolarHBondContact CE2-O 3.44Å; Y81-S83 VanDerWaalsContact CZ-C 3.4Å; Y81-S83 PolarHBondContact OH-O 3.34Å; S83-D85 PolarHBondContact O-N 3.48Å; S83-D85 WeakPolarHBondContact OG-CB 3.48Å; S83-D85 VanDerWaalsContact OG-CG 3.31Å; S83-D85 PolarHBondContact OG-N 3.06Å; S83-D85 PolarHBondContact OG-OD2 2.89Å; S83-F86 PolarHBondContact O-N 3.42Å; S83-D185 WeakPolarHBondContact CA-OD1 3.48Å
84	Y	90.5	Very high	88.4	Confident	54 Å²	54	67.4 Å²	67.4	21%	0.212	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-56.7	-15.6	172.5	76.6	-78.6	0	0	0	114.2	Y81 F86 F87 D185 K188	Y81-Y84 WeakPolarHBondContact OH-CA 3.32Å; Y81-Y84 PolarHBondContact OH-N 3.18Å; Y81-Y84 VanDerWaalsContact OH-N 3.11Å; Y84-F86 PolarHBondContact O-N 3.29Å; Y84-F87 WeakPolarHBondContact O-CB 3.37Å; Y84-F87 PolarHBondContact O-N 3.4Å; Y84-D185 WeakPolarHBondContact CB-OD1 3.38Å; Y84-D185 WeakPolarHBondContact CD1-OD1 3.11Å; Y84-D185 PolarHBondContact N-OD1 2.98Å; Y84-K188 HydrophobicContact CD1-CB 3.93Å; Y84-K188 HydrophobicContact CD1-CD 3.82Å; Y84-K188 HydrophobicContact CD2-CB 3.58Å; Y84-K188 HydrophobicContact CD2-CD 4.44Å; Y84-K188 HydrophobicContact CE1-CB 4.29Å; Y84-K188 HydrophobicContact CE1-CD 3.48Å; Y84-K188 VanDerWaalsContact CE1-CD 3.48Å; Y84-K188 HydrophobicContact CE2-CB 3.91Å; Y84-K188 HydrophobicContact CE2-CD 4.1Å; Y84-K188 HydrophobicContact CG-CB 3.59Å; Y84-K188 HydrophobicContact CG-CD 4.31Å
85	D	91.3	Very high	88.2	Confident	60 Å²	60	69.2 Å²	69.2	32%	0.321	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-59.1	-27.8	178.1	-64.8	-50.3	0	0	0	112.5	S83 F87 K88 N91	S83-D85 PolarHBondContact O-N 3.48Å; S83-D85 WeakPolarHBondContact OG-CB 3.48Å; S83-D85 VanDerWaalsContact OG-CG 3.31Å; S83-D85 PolarHBondContact OG-N 3.06Å; S83-D85 PolarHBondContact OG-OD2 2.89Å; D85-F87 PolarHBondContact O-N 2.82Å; D85-K88 HydrophobicContact CB-CD 4.46Å; D85-K88 PolarHBondContact O-N 2.94Å; D85-K88 WeakPolarHBondContact OD1-CE 3.35Å; D85-K88 IonicContact OD1-NZ 3.06Å; D85-K88 PolarHBondContact OD1-NZ 3Å; D85-N91 PolarHBondContact O-ND2 3.38Å
86	F	91.5	Very high	88.3	Confident	26 Å²	26	72.3 Å²	72.3	11%	0.114	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-61.4	-24.3	172	-177.7	-94.3	0	0	0	112.8	R74 V78 S83 Y84 A94 I97 R98	R74-F86 HydrophobicContact CG-CE1 3.88Å; R74-F86 HydrophobicContact CG-CZ 4.04Å; V78-F86 HydrophobicContact CG2-CE2 4.06Å; V78-F86 HydrophobicContact CG2-CZ 4.16Å; S83-F86 PolarHBondContact O-N 3.42Å; Y84-F86 PolarHBondContact O-N 3.29Å; F86-A94 HydrophobicContact CD1-CB 4.5Å; F86-A94 HydrophobicContact CD2-CB 3.57Å; F86-A94 HydrophobicContact CE2-CB 3.64Å; F86-A94 HydrophobicContact CG-CB 4.03Å; F86-A94 HydrophobicContact CZ-CB 4.15Å; F86-A94 WeakPolarHBondContact O-CB 3.38Å; F86-I97 HydrophobicContact CE2-CD1 4.41Å; F86-I97 HydrophobicContact CZ-CB 4.45Å; F86-I97 HydrophobicContact CZ-CG2 4.1Å; F86-R98 HydrophobicContact CE1-CG 3.68Å; F86-R98 HydrophobicContact CZ-CG 4.03Å
87	F	92.1	Very high	88.5	Confident	5 Å²	5	70.7 Å²	70.7	2%	0.022	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-98	-5.1	-176.7	-63.2	-66	0	0	0	114.3	Y81 Y84 D85 R98 R189 C192 Y193	Y81-F87 HydrophobicContact CD2-CE2 4.29Å; Y81-F87 HydrophobicContact CE2-CD2 4.11Å; Y81-F87 AromaticContact CE2-CE2 3.36Å; Y81-F87 HydrophobicContact CE2-CE2 3.36Å; Y81-F87 HydrophobicContact CE2-CZ 4.16Å; Y81-F87 AromaticContact CZ-CE2 3.93Å; Y84-F87 WeakPolarHBondContact O-CB 3.37Å; Y84-F87 PolarHBondContact O-N 3.4Å; D85-F87 PolarHBondContact O-N 2.82Å; F87-R98 PolarHBondContact O-NH2 3.37Å; F87-R189 HydrophobicContact CB-CG 4.33Å; F87-R189 HydrophobicContact CD2-CB 4.32Å; F87-R189 HydrophobicContact CD2-CG 3.54Å; F87-R189 VanDerWaalsContact CE2-CD 3.43Å; F87-R189 HydrophobicContact CE2-CG 4.01Å; F87-R189 HydrophobicContact CG-CG 4Å; F87-C192 HydrophobicContact CB-CB 4.25Å; F87-Y193 HydrophobicContact CB-CE2 4.06Å; F87-Y193 AromaticContact CD1-CE2 3.93Å; F87-Y193 HydrophobicContact CD1-CE2 3.93Å; F87-Y193 AromaticContact CD1-CZ 3.87Å; F87-Y193 WeakPolarHBondContact CD1-OH 3.38Å; F87-Y193 WeakPolarHBondContact CE1-OH 3.37Å; F87-Y193 HydrophobicContact CG-CE2 4.08Å
88	K	90.6	Very high	88.7	Confident	64 Å²	64	70.2 Å²	70.2	28%	0.278	36%	0.364	S	S	.	.			trans	-61.9	145.3	177.9	-68	177	166.1	168.2	0	111.4	D85 D90 N91 R98	D85-K88 HydrophobicContact CB-CD 4.46Å; D85-K88 PolarHBondContact O-N 2.94Å; D85-K88 WeakPolarHBondContact OD1-CE 3.35Å; D85-K88 IonicContact OD1-NZ 3.06Å; D85-K88 PolarHBondContact OD1-NZ 3Å; K88-D90 VanDerWaalsContact C-N 3.35Å; K88-D90 WeakPolarHBondContact CB-OD1 3.48Å; K88-N91 HydrophobicContact CB-CB 4.45Å; K88-N91 PolarHBondContact O-N 3.39Å; K88-R98 PolarHBondContact O-NH2 2.99Å
89	P	87.8	Confident	89.1	Confident	78 Å²	78	72.6 Å²	72.6	51%	0.506	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-25.8	-177.3	28.5	-34.2	0	0	0	113.5	N91	P89-N91 VanDerWaalsContact C-N 3.3Å
90	D	90.9	Very high	90	Very high	124 Å²	124	68.7 Å²	68.7	66%	0.663	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.6	177	60.1	-12	0	0	0	113.4	K88 E92	K88-D90 VanDerWaalsContact C-N 3.35Å; K88-D90 WeakPolarHBondContact CB-OD1 3.48Å; D90-E92 PolarHBondContact O-N 3.35Å
91	N	92.2	Very high	90.9	Very high	44 Å²	44	62.3 Å²	62.3	24%	0.235	32%	0.324	C	S	.	.			trans	-81.6	82.1	175.7	-170.2	-20.2	0	0	0	111	D85 K88 P89 S93 A94 V95	D85-N91 PolarHBondContact O-ND2 3.38Å; K88-N91 HydrophobicContact CB-CB 4.45Å; K88-N91 PolarHBondContact O-N 3.39Å; P89-N91 VanDerWaalsContact C-N 3.3Å; N91-S93 VanDerWaalsContact C-N 3.31Å; N91-S93 PolarHBondContact O-N 3.03Å; N91-S93 PolarHBondContact OD1-OG 3.03Å; N91-A94 HydrophobicContact CB-CB 4.1Å; N91-A94 VanDerWaalsContact CG-CB 3.43Å; N91-A94 PolarHBondContact O-N 3.44Å; N91-A94 WeakPolarHBondContact OD1-CB 3.47Å; N91-A94 PolarHBondContact OD1-N 3.44Å; N91-A94 VanDerWaalsContact OD1-N 3.17Å; N91-V95 WeakPolarHBondContact O-CG2 3.35Å; N91-V95 PolarHBondContact O-N 3.23Å
92	E	91.9	Very high	91.5	Very high	141 Å²	141	60.8 Å²	60.8	66%	0.659	32%	0.319	S	S	*	.	H	α-helix	trans	-55.8	-40.7	-175.4	-67.1	-171.2	-179.7	0	0	113.8	D90 V95 K96	D90-E92 PolarHBondContact O-N 3.35Å; E92-V95 PolarHBondContact O-N 3.48Å; E92-K96 WeakPolarHBondContact O-CG 3.42Å; E92-K96 PolarHBondContact O-N 3.37Å
93	S	91.5	Very high	92.2	Very high	75 Å²	75	59.5 Å²	59.5	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-44.3	179.9	64	0	0	0	0	110.9	N91 K96 I97	N91-S93 VanDerWaalsContact C-N 3.31Å; N91-S93 PolarHBondContact O-N 3.03Å; N91-S93 PolarHBondContact OD1-OG 3.03Å; S93-K96 PolarHBondContact O-N 3.31Å; S93-I97 VanDerWaalsContact O-CG1 3.32Å; S93-I97 WeakPolarHBondContact O-CG1 3.18Å; S93-I97 PolarHBondContact O-N 3.39Å
94	A	90.9	Very high	92.5	Very high	1 Å²	1	59 Å²	59	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-70.2	-32.6	177.4	0	0	0	0	0	113	F86 N91 R98	F86-A94 HydrophobicContact CD1-CB 4.5Å; F86-A94 HydrophobicContact CD2-CB 3.57Å; F86-A94 HydrophobicContact CE2-CB 3.64Å; F86-A94 HydrophobicContact CG-CB 4.03Å; F86-A94 HydrophobicContact CZ-CB 4.15Å; F86-A94 WeakPolarHBondContact O-CB 3.38Å; N91-A94 HydrophobicContact CB-CB 4.1Å; N91-A94 VanDerWaalsContact CG-CB 3.43Å; N91-A94 PolarHBondContact O-N 3.44Å; N91-A94 WeakPolarHBondContact OD1-CB 3.47Å; N91-A94 PolarHBondContact OD1-N 3.44Å; N91-A94 VanDerWaalsContact OD1-N 3.17Å; A94-R98 WeakPolarHBondContact O-CB 3.42Å; A94-R98 VanDerWaalsContact O-CG 3.27Å; A94-R98 WeakPolarHBondContact O-CG 3.46Å; A94-R98 PolarHBondContact O-N 2.99Å; A94-R98 PolarHBondContact O-NE 2.86Å
95	V	90.5	Very high	92.8	Very high	49 Å²	49	56.5 Å²	56.5	30%	0.297	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-48.2	170.8	171.5	0	0	0	0	110.4	N91 E92 I97 R98 Q99	N91-V95 WeakPolarHBondContact O-CG2 3.35Å; N91-V95 PolarHBondContact O-N 3.23Å; E92-V95 PolarHBondContact O-N 3.48Å; V95-I97 PolarHBondContact O-N 3.16Å; V95-R98 PolarHBondContact O-N 2.98Å; V95-Q99 WeakPolarHBondContact O-CB 3.34Å; V95-Q99 PolarHBondContact O-N 3.22Å
96	K	92.6	Very high	93.2	Very high	131 Å²	131	53.8 Å²	53.8	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-58.6	-47.1	176.8	-74.2	174.6	-176.4	173	0	111.8	E92 S93 R98 Q99 Q100	E92-K96 WeakPolarHBondContact O-CG 3.42Å; E92-K96 PolarHBondContact O-N 3.37Å; S93-K96 PolarHBondContact O-N 3.31Å; K96-R98 PolarHBondContact O-N 2.94Å; K96-Q99 WeakPolarHBondContact O-CB 3.45Å; K96-Q99 PolarHBondContact O-N 3.17Å; K96-Q100 WeakPolarHBondContact O-CG 3.47Å; K96-Q100 PolarHBondContact O-N 3.46Å
97	I	93.5	Very high	93.4	Very high	53 Å²	53	59.1 Å²	59.1	27%	0.272	30%	0.296	S	S	.	.	H	α-helix	trans	-59.8	-47.6	177.3	-67.6	165.2	0	0	0	111	V78 F86 S93 V95 Q99 Q100 C101	V78-I97 HydrophobicContact CG2-CG2 3.79Å; F86-I97 HydrophobicContact CE2-CD1 4.41Å; F86-I97 HydrophobicContact CZ-CB 4.45Å; F86-I97 HydrophobicContact CZ-CG2 4.1Å; S93-I97 VanDerWaalsContact O-CG1 3.32Å; S93-I97 WeakPolarHBondContact O-CG1 3.18Å; S93-I97 PolarHBondContact O-N 3.39Å; V95-I97 PolarHBondContact O-N 3.16Å; I97-Q99 VanDerWaalsContact C-N 3.26Å; I97-Q99 PolarHBondContact O-N 3.43Å; I97-Q100 PolarHBondContact O-N 2.98Å; I97-C101 PolarHBondContact O-N 3.32Å; I97-C101 PolarHBondContact O-SG 3.29Å
98	R	93	Very high	93.7	Very high	42 Å²	42	61.1 Å²	61.1	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-32.6	178.3	-73.7	-176	-65.6	167.8	-8.3	112.6	F86 F87 K88 A94 V95 K96 A102 Y193	F86-R98 HydrophobicContact CE1-CG 3.68Å; F86-R98 HydrophobicContact CZ-CG 4.03Å; F87-R98 PolarHBondContact O-NH2 3.37Å; K88-R98 PolarHBondContact O-NH2 2.99Å; A94-R98 WeakPolarHBondContact O-CB 3.42Å; A94-R98 VanDerWaalsContact O-CG 3.27Å; A94-R98 WeakPolarHBondContact O-CG 3.46Å; A94-R98 PolarHBondContact O-N 2.99Å; A94-R98 PolarHBondContact O-NE 2.86Å; V95-R98 PolarHBondContact O-N 2.98Å; K96-R98 PolarHBondContact O-N 2.94Å; R98-A102 PolarHBondContact O-N 3.48Å; R98-Y193 PolarHBondContact NH1-OH 3.49Å; R98-Y193 VanDerWaalsContact NH1-OH 3.16Å
99	Q	93.8	Very high	94	Very high	85 Å²	85	58 Å²	58	40%	0.397	29%	0.294	S	S	.	.	H	α-helix	trans	-69.8	-45.8	174.6	-174.8	168.4	-1.5	0	0	111.4	V95 K96 I97 C101 A102 L103	V95-Q99 WeakPolarHBondContact O-CB 3.34Å; V95-Q99 PolarHBondContact O-N 3.22Å; K96-Q99 WeakPolarHBondContact O-CB 3.45Å; K96-Q99 PolarHBondContact O-N 3.17Å; I97-Q99 VanDerWaalsContact C-N 3.26Å; I97-Q99 PolarHBondContact O-N 3.43Å; Q99-C101 VanDerWaalsContact C-N 3.34Å; Q99-C101 PolarHBondContact O-N 2.92Å; Q99-A102 PolarHBondContact O-N 3.25Å; Q99-A102 VanDerWaalsContact O-N 3.17Å; Q99-L103 HydrophobicContact CG-CD1 4.47Å; Q99-L103 WeakPolarHBondContact O-CG 3.36Å; Q99-L103 PolarHBondContact O-N 3.26Å
100	Q	94.8	Very high	94.4	Very high	109 Å²	109	58.7 Å²	58.7	51%	0.509	29%	0.288	S	S	.	.	H	α-helix	trans	-59.9	-42.2	175	-72.4	173.2	-26.3	0	0	112.2	K96 I97 A102 L103 A104	K96-Q100 WeakPolarHBondContact O-CG 3.47Å; K96-Q100 PolarHBondContact O-N 3.46Å; I97-Q100 PolarHBondContact O-N 2.98Å; Q100-A102 VanDerWaalsContact C-N 3.3Å; Q100-A102 PolarHBondContact O-N 2.84Å; Q100-L103 PolarHBondContact O-N 2.99Å; Q100-A104 WeakPolarHBondContact O-CB 3.48Å; Q100-A104 PolarHBondContact O-N 2.85Å
101	C	95.8	Very high	94.6	Very high	7 Å²	7	54.6 Å²	54.6	5%	0.047	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-40.4	175.5	-66	0	0	0	0	112.2	V70 I97 Q99 A104 A105	V70-C101 HydrophobicContact CG1-CB 4.13Å; I97-C101 PolarHBondContact O-N 3.32Å; I97-C101 PolarHBondContact O-SG 3.29Å; Q99-C101 VanDerWaalsContact C-N 3.34Å; Q99-C101 PolarHBondContact O-N 2.92Å; C101-A104 PolarHBondContact O-N 3.4Å; C101-A105 PolarHBondContact O-N 2.96Å
102	A	95.7	Very high	94.7	Very high	3 Å²	3	53.1 Å²	53.1	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-39.9	177.2	0	0	0	0	0	112.3	V70 R98 Q99 Q100 A105 L106 F123	V70-A102 HydrophobicContact CG1-CB 4.26Å; R98-A102 PolarHBondContact O-N 3.48Å; Q99-A102 PolarHBondContact O-N 3.25Å; Q99-A102 VanDerWaalsContact O-N 3.17Å; Q100-A102 VanDerWaalsContact C-N 3.3Å; Q100-A102 PolarHBondContact O-N 2.84Å; A102-A105 PolarHBondContact O-N 3.22Å; A102-L106 WeakPolarHBondContact O-CG 3.41Å; A102-L106 PolarHBondContact O-N 3.46Å; A102-F123 HydrophobicContact CB-CZ 4.18Å
103	L	96	Very high	94.8	Very high	76 Å²	76	46.5 Å²	46.5	40%	0.398	23%	0.23	S	C	.	.	H	α-helix	trans	-65.2	-39.2	174.7	-68.1	173.8	0	0	0	111.9	Q99 Q100 L106 R107 L135	Q99-L103 HydrophobicContact CG-CD1 4.47Å; Q99-L103 WeakPolarHBondContact O-CG 3.36Å; Q99-L103 PolarHBondContact O-N 3.26Å; Q100-L103 PolarHBondContact O-N 2.99Å; L103-L106 PolarHBondContact O-N 3.04Å; L103-R107 WeakPolarHBondContact O-CG 3.44Å; L103-R107 PolarHBondContact O-N 2.78Å; L103-L135 HydrophobicContact CD2-CD1 4.37Å; L103-L135 HydrophobicContact CD2-CD2 4.17Å
104	A	96.4	Very high	94.8	Very high	13 Å²	13	47.6 Å²	47.6	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-47.6	173	0	0	0	0	0	111.5	Y73 Q100 C101 L106 R107 D108	Y73-A104 HydrophobicContact CD1-CB 4.13Å; Y73-A104 HydrophobicContact CE1-CB 4.48Å; Q100-A104 WeakPolarHBondContact O-CB 3.48Å; Q100-A104 PolarHBondContact O-N 2.85Å; C101-A104 PolarHBondContact O-N 3.4Å; A104-L106 VanDerWaalsContact C-N 3.33Å; A104-L106 PolarHBondContact O-N 3.24Å; A104-R107 WeakPolarHBondContact O-CB 3.3Å; A104-R107 PolarHBondContact O-N 2.88Å; A104-R107 VanDerWaalsContact O-N 3.16Å; A104-D108 PolarHBondContact O-N 2.73Å; A104-D108 VanDerWaalsContact O-N 3.15Å
105	A	97.1	Very high	94.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-39	175.1	0	0	0	0	0	112.7	V70 Y73 C101 A102 D108 V109 F123	V70-A105 HydrophobicContact CG2-CB 4.08Å; Y73-A105 HydrophobicContact CD1-CB 4.38Å; Y73-A105 HydrophobicContact CD2-CB 3.86Å; Y73-A105 HydrophobicContact CE1-CB 4.21Å; Y73-A105 HydrophobicContact CE2-CB 3.68Å; Y73-A105 HydrophobicContact CG-CB 4.23Å; C101-A105 PolarHBondContact O-N 2.96Å; A102-A105 PolarHBondContact O-N 3.22Å; A105-D108 PolarHBondContact O-N 2.95Å; A105-V109 WeakPolarHBondContact O-CG2 3.42Å; A105-V109 PolarHBondContact O-N 3.43Å; A105-F123 HydrophobicContact CB-CD2 4.46Å; A105-F123 HydrophobicContact CB-CE2 3.7Å
106	L	97.9	Very high	94.6	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-33.6	175.2	-71.8	174.2	0	0	0	113	A102 L103 A104 D108 V109 K110 F123 L135 I136 F139	A102-L106 WeakPolarHBondContact O-CG 3.41Å; A102-L106 PolarHBondContact O-N 3.46Å; L103-L106 PolarHBondContact O-N 3.04Å; A104-L106 VanDerWaalsContact C-N 3.33Å; A104-L106 PolarHBondContact O-N 3.24Å; L106-D108 VanDerWaalsContact C-N 3.34Å; L106-V109 WeakPolarHBondContact O-CB 3.44Å; L106-V109 PolarHBondContact O-N 3.38Å; L106-K110 PolarHBondContact O-N 2.88Å; L106-F123 HydrophobicContact CD2-CD2 3.98Å; L106-F123 HydrophobicContact CD2-CE2 3.77Å; L106-F123 HydrophobicContact CD2-CZ 4.16Å; L106-F123 HydrophobicContact CG-CE2 3.85Å; L106-F123 HydrophobicContact CG-CZ 4.09Å; L106-L135 HydrophobicContact CD1-CD2 3.67Å; L106-I136 HydrophobicContact CD1-CG1 4.37Å; L106-F139 HydrophobicContact CB-CD2 4.18Å; L106-F139 HydrophobicContact CB-CE2 3.99Å; L106-F139 HydrophobicContact CB-CZ 4.21Å; L106-F139 HydrophobicContact CD1-CG 4.36Å; L106-F139 HydrophobicContact CD2-CD1 3.84Å; L106-F139 HydrophobicContact CD2-CE1 3.89Å; L106-F139 HydrophobicContact CD2-CG 4.24Å; L106-F139 HydrophobicContact CD2-CZ 4.32Å; L106-F139 WeakPolarHBondContact O-CE2 3.32Å; L106-F139 WeakPolarHBondContact O-CZ 3.27Å
107	R	97.4	Very high	94.3	Very high	138 Å²	138	51.9 Å²	51.9	52%	0.521	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-44.1	171.4	-73.5	-174.4	-72.6	163.9	-2.4	111.1	L103 A104 K110 S111	L103-R107 WeakPolarHBondContact O-CG 3.44Å; L103-R107 PolarHBondContact O-N 2.78Å; A104-R107 WeakPolarHBondContact O-CB 3.3Å; A104-R107 PolarHBondContact O-N 2.88Å; A104-R107 VanDerWaalsContact O-N 3.16Å; R107-K110 WeakPolarHBondContact O-CB 3.28Å; R107-K110 PolarHBondContact O-N 3.19Å; R107-S111 PolarHBondContact O-N 2.95Å
108	D	96.6	Very high	94.1	Very high	46 Å²	46	49.3 Å²	49.3	25%	0.246	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-34.8	177.6	-67.6	-11.5	0	0	0	112.3	F68 Y73 A104 A105 L106 K110 S111 Y112	F68-D108 HydrophobicContact CD1-CB 4Å; F68-D108 HydrophobicContact CE1-CB 3.72Å; Y73-D108 WeakPolarHBondContact CE1-OD2 3.43Å; Y73-D108 VanDerWaalsContact CZ-OD2 3.3Å; Y73-D108 WeakPolarHBondContact OH-CB 3.26Å; Y73-D108 PolarHBondContact OH-OD2 2.87Å; A104-D108 PolarHBondContact O-N 2.73Å; A104-D108 VanDerWaalsContact O-N 3.15Å; A105-D108 PolarHBondContact O-N 2.95Å; L106-D108 VanDerWaalsContact C-N 3.34Å; D108-K110 VanDerWaalsContact C-N 3.31Å; D108-K110 PolarHBondContact O-N 2.92Å; D108-S111 PolarHBondContact O-N 2.84Å; D108-Y112 WeakPolarHBondContact O-CB 3.39Å; D108-Y112 PolarHBondContact O-N 3.47Å
109	V	97.5	Very high	94.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.5	-46.4	170.1	166.6	0	0	0	0	110.4	V36 F68 A105 L106 Y112 L113 A121 F123 F139	V36-V109 HydrophobicContact CG2-CG1 3.88Å; F68-V109 HydrophobicContact CB-CG2 4.09Å; F68-V109 HydrophobicContact CD1-CG2 3.93Å; F68-V109 HydrophobicContact CD2-CG2 3.52Å; F68-V109 HydrophobicContact CE1-CG2 4.23Å; F68-V109 HydrophobicContact CE2-CG2 3.86Å; F68-V109 HydrophobicContact CG-CG2 3.56Å; F68-V109 HydrophobicContact CZ-CG2 4.2Å; A105-V109 WeakPolarHBondContact O-CG2 3.42Å; A105-V109 PolarHBondContact O-N 3.43Å; L106-V109 WeakPolarHBondContact O-CB 3.44Å; L106-V109 PolarHBondContact O-N 3.38Å; V109-Y112 PolarHBondContact O-N 2.89Å; V109-L113 HydrophobicContact CG1-CD1 3.88Å; V109-L113 HydrophobicContact CG1-CG 4.42Å; V109-L113 WeakPolarHBondContact O-CG 3.37Å; V109-L113 PolarHBondContact O-N 2.79Å; V109-A121 HydrophobicContact CB-CB 4.44Å; V109-A121 HydrophobicContact CG1-CB 3.7Å; V109-A121 HydrophobicContact CG2-CB 4.17Å; V109-F123 HydrophobicContact CG2-CD2 4.29Å; V109-F139 HydrophobicContact CB-CZ 4.39Å; V109-F139 HydrophobicContact CG1-CE1 3.99Å; V109-F139 HydrophobicContact CG1-CZ 4.11Å
110	K	96.6	Very high	94.3	Very high	91 Å²	91	45.1 Å²	45.1	40%	0.396	23%	0.226	S	C	.	.	H	α-helix	trans	-60.8	-48.7	178.2	179.8	178.1	175	165.3	0	111.6	L106 R107 D108 Y112 L113 K114 F139 N143	L106-K110 PolarHBondContact O-N 2.88Å; R107-K110 WeakPolarHBondContact O-CB 3.28Å; R107-K110 PolarHBondContact O-N 3.19Å; D108-K110 VanDerWaalsContact C-N 3.31Å; D108-K110 PolarHBondContact O-N 2.92Å; K110-Y112 VanDerWaalsContact C-N 3.32Å; K110-Y112 PolarHBondContact O-N 3.28Å; K110-L113 PolarHBondContact O-N 3.09Å; K110-K114 HydrophobicContact CG-CD 4.24Å; K110-K114 WeakPolarHBondContact O-CB 3.37Å; K110-K114 PolarHBondContact O-N 2.77Å; K110-F139 HydrophobicContact CB-CE2 4.09Å; K110-F139 HydrophobicContact CB-CZ 3.95Å; K110-N143 VanDerWaalsContact CD-OD1 3.29Å; K110-N143 WeakPolarHBondContact CD-OD1 3.08Å; K110-N143 WeakPolarHBondContact CE-OD1 3.41Å; K110-N143 PolarHBondContact NZ-OD1 3.34Å; K110-N143 VanDerWaalsContact NZ-OD1 3.15Å
111	S	95.3	Very high	94.5	Very high	39 Å²	39	39.9 Å²	39.9	27%	0.273	20%	0.202	S	C	.	.	H	α-helix	trans	-55.8	-47.8	176.3	176.5	0	0	0	0	111.1	R107 D108 L113 D115 E116	R107-S111 PolarHBondContact O-N 2.95Å; D108-S111 PolarHBondContact O-N 2.84Å; S111-L113 PolarHBondContact O-N 2.91Å; S111-D115 WeakPolarHBondContact O-CA 3.24Å; S111-D115 VanDerWaalsContact O-CB 3.3Å; S111-D115 WeakPolarHBondContact O-CB 3.33Å; S111-D115 PolarHBondContact O-N 3.1Å; S111-E116 PolarHBondContact O-N 3.36Å; S111-E116 PolarHBondContact OG-OE1 3.19Å
112	Y	95	Very high	94.6	Very high	13 Å²	13	39.6 Å²	39.6	5%	0.051	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-44.7	-178.3	176.2	-110.5	0	0	0	113.2	P64 T65 K66 F68 D108 V109 K110 E116 G117 G118 V120 A121	P64-Y112 PolarHBondContact O-OH 3.42Å; T65-Y112 PolarHBondContact N-OH 3.03Å; K66-Y112 HydrophobicContact CB-CD1 4.07Å; K66-Y112 HydrophobicContact CB-CD2 4.34Å; K66-Y112 HydrophobicContact CB-CE1 3.6Å; K66-Y112 HydrophobicContact CB-CE2 3.91Å; K66-Y112 HydrophobicContact CB-CG 4.42Å; K66-Y112 HydrophobicContact CD-CD2 3.89Å; K66-Y112 HydrophobicContact CD-CE2 4.01Å; K66-Y112 HydrophobicContact CD-CG 4.25Å; F68-Y112 HydrophobicContact CE2-CD1 4.01Å; F68-Y112 HydrophobicContact CE2-CG 4.37Å; F68-Y112 AromaticContact CZ-CD1 3.96Å; F68-Y112 HydrophobicContact CZ-CD1 3.96Å; F68-Y112 AromaticContact CZ-CG 3.86Å; F68-Y112 HydrophobicContact CZ-CG 3.86Å; D108-Y112 WeakPolarHBondContact O-CB 3.39Å; D108-Y112 PolarHBondContact O-N 3.47Å; V109-Y112 PolarHBondContact O-N 2.89Å; K110-Y112 VanDerWaalsContact C-N 3.32Å; K110-Y112 PolarHBondContact O-N 3.28Å; Y112-E116 HydrophobicContact CD2-CB 4.04Å; Y112-E116 PolarHBondContact O-N 3.02Å; Y112-G117 PolarHBondContact O-N 3.08Å; Y112-G118 VanDerWaalsContact CZ-CA 3.44Å; Y112-G118 PolarHBondContact O-N 2.82Å; Y112-V120 WeakPolarHBondContact CE1-O 3.24Å; Y112-A121 HydrophobicContact CD1-CB 4.44Å
113	L	92.9	Very high	94.7	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-78.2	-31.9	-176.8	-63.5	-179.5	0	0	0	113.4	P34 V36 V109 K110 S111 A121 F145	P34-L113 HydrophobicContact CB-CB 4.12Å; P34-L113 HydrophobicContact CB-CD1 4.1Å; P34-L113 HydrophobicContact CB-CD2 3.97Å; P34-L113 HydrophobicContact CB-CG 4.27Å; P34-L113 HydrophobicContact CG-CB 4.44Å; V36-L113 HydrophobicContact CG2-CD1 3.77Å; V109-L113 HydrophobicContact CG1-CD1 3.88Å; V109-L113 HydrophobicContact CG1-CG 4.42Å; V109-L113 WeakPolarHBondContact O-CG 3.37Å; V109-L113 PolarHBondContact O-N 2.79Å; K110-L113 PolarHBondContact O-N 3.09Å; S111-L113 PolarHBondContact O-N 2.91Å; L113-A121 HydrophobicContact CD1-CB 3.95Å; L113-A121 HydrophobicContact CD2-CB 4.03Å; L113-A121 HydrophobicContact CG-CB 4.1Å; L113-F145 HydrophobicContact CB-CD1 4.49Å; L113-F145 HydrophobicContact CB-CE1 3.73Å; L113-F145 HydrophobicContact CB-CE2 4.43Å; L113-F145 HydrophobicContact CB-CZ 3.68Å; L113-F145 HydrophobicContact CD1-CD1 4.11Å; L113-F145 HydrophobicContact CD1-CD2 4.04Å; L113-F145 HydrophobicContact CD1-CE1 4.06Å; L113-F145 HydrophobicContact CD1-CE2 3.99Å; L113-F145 HydrophobicContact CD1-CG 4.09Å; L113-F145 HydrophobicContact CD1-CZ 3.99Å; L113-F145 HydrophobicContact CG-CZ 4.46Å
114	K	91.4	Very high	94.8	Very high	97 Å²	97	36 Å²	36	42%	0.422	18%	0.18	S	C	.	.	H	α-helix	trans	-91.7	-40.5	-179.7	-74.2	-172.6	172.4	-175.8	0	113.5	K110 N143 F145	K110-K114 HydrophobicContact CG-CD 4.24Å; K110-K114 WeakPolarHBondContact O-CB 3.37Å; K110-K114 PolarHBondContact O-N 2.77Å; K114-N143 VanDerWaalsContact CE-O 3.27Å; K114-N143 WeakPolarHBondContact CE-O 3.41Å; K114-N143 PolarHBondContact NZ-O 3.21Å; K114-N143 PolarHBondContact NZ-OD1 3.12Å; K114-F145 HydrophobicContact CD-CZ 4.31Å; K114-F145 HydrophobicContact CG-CE1 4.1Å; K114-F145 HydrophobicContact CG-CZ 3.92Å
115	D	89.7	Confident	94.8	Very high	127 Å²	127	36.1 Å²	36.1	68%	0.679	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-31.6	-165.4	-51.3	-44.2	0	0	0	112.8	S111	S111-D115 WeakPolarHBondContact O-CA 3.24Å; S111-D115 VanDerWaalsContact O-CB 3.3Å; S111-D115 WeakPolarHBondContact O-CB 3.33Å; S111-D115 PolarHBondContact O-N 3.1Å
116	E	87.6	Confident	94.7	Very high	111 Å²	111	37.6 Å²	37.6	52%	0.519	19%	0.19	S	C	.	.	S	Bend	trans	-96.1	-2.6	-175.2	-58	174.2	-140.2	0	0	113.9	S111 Y112	S111-E116 PolarHBondContact O-N 3.36Å; S111-E116 PolarHBondContact OG-OE1 3.19Å; Y112-E116 HydrophobicContact CD2-CB 4.04Å; Y112-E116 PolarHBondContact O-N 3.02Å
117	G	85.9	Confident	94.7	Very high	33 Å²	33	37.5 Å²	37.5	34%	0.34	19%	0.19	S	C	.	.			trans	77	19.8	-179.9	0	0	0	0	0	114.6	Y112	Y112-G117 PolarHBondContact O-N 3.08Å
118	G	90.9	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.167	C	C	.	.			trans	-66	144.7	172.6	0	0	0	0	0	112.6	Y112	Y112-G118 VanDerWaalsContact CZ-CA 3.44Å; Y112-G118 PolarHBondContact O-N 2.82Å
119	Q	93.6	Very high	94.6	Very high	38 Å²	38	31 Å²	31	18%	0.178	17%	0.167	C	C	.	.	S	Bend	trans	-104.9	-35.5	176.4	-68.9	-162.1	40.3	0	0	112.6	F30 P34 T35 I63 P64 S460	F30-Q119 HydrophobicContact CE1-CG 4.21Å; P34-Q119 WeakPolarHBondContact CA-O 3.44Å; P34-Q119 WeakPolarHBondContact CB-O 3.45Å; T35-Q119 PolarHBondContact N-O 2.87Å; I63-Q119 HydrophobicContact CG2-CB 4.14Å; P64-Q119 HydrophobicContact CG-CG 4.49Å; P64-Q119 PolarHBondContact O-N 2.76Å; Q119-S460 PolarHBondContact NE2-O 2.75Å
120	V	97.1	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	128.5	-177.9	-178.6	0	0	0	0	110.8	T35 I37 L58 I63 P64 T65 K66 Y112 I230	T35-V120 CarbonylContact O-C 3.53Å; T35-V120 VanDerWaalsContact O-CA 3.28Å; T35-V120 WeakPolarHBondContact O-CA 3.39Å; I37-V120 HydrophobicContact CD1-CG1 3.51Å; I37-V120 HydrophobicContact CG1-CG1 3.81Å; L58-V120 HydrophobicContact CD1-CB 4.5Å; L58-V120 HydrophobicContact CD1-CG1 4.12Å; I63-V120 HydrophobicContact CG2-CG2 3.71Å; P64-V120 PolarHBondContact O-N 2.79Å; T65-V120 VanDerWaalsContact CA-O 3.24Å; T65-V120 WeakPolarHBondContact CA-O 3.45Å; T65-V120 HydrophobicContact CG2-CB 3.95Å; T65-V120 HydrophobicContact CG2-CG1 3.92Å; K66-V120 PolarHBondContact N-O 3.31Å; K66-V120 VanDerWaalsContact N-O 3.16Å; Y112-V120 WeakPolarHBondContact CE1-O 3.24Å; V120-I230 HydrophobicContact CG2-CG2 4.13Å
121	A	98.1	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.6	172.9	0	0	0	0	0	110.1	T35 V36 I37 F68 V109 Y112 L113	T35-A121 PolarHBondContact O-N 2.79Å; V36-A121 CarbonylContact C-O 3.43Å; V36-A121 WeakPolarHBondContact CA-O 2.86Å; I37-A121 PolarHBondContact N-O 2.76Å; F68-A121 HydrophobicContact CD2-CB 4.07Å; F68-A121 HydrophobicContact CE2-CB 3.72Å; V109-A121 HydrophobicContact CB-CB 4.44Å; V109-A121 HydrophobicContact CG1-CB 3.7Å; V109-A121 HydrophobicContact CG2-CB 4.17Å; Y112-A121 HydrophobicContact CD1-CB 4.44Å; L113-A121 HydrophobicContact CD1-CB 3.95Å; L113-A121 HydrophobicContact CD2-CB 4.03Å; L113-A121 HydrophobicContact CG-CB 4.1Å
122	V	98.5	Very high	94.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	105.5	175.7	-174.4	0	0	0	0	109.4	I37 M39 T55 T65 K66 V67 F68 D124	I37-V122 HydrophobicContact CB-CG2 4.27Å; I37-V122 HydrophobicContact CD1-CG2 4.24Å; I37-V122 HydrophobicContact CG2-CG1 4.35Å; I37-V122 CarbonylContact O-C 3.58Å; M39-V122 HydrophobicContact CG-CG1 4.07Å; M39-V122 HydrophobicContact SD-CG1 4.12Å; T55-V122 WeakPolarHBondContact OG1-CG2 3.48Å; T65-V122 HydrophobicContact CG2-CG2 3.9Å; K66-V122 PolarHBondContact O-N 3.42Å; V67-V122 CarbonylContact C-O 3.52Å; V67-V122 WeakPolarHBondContact CA-O 3.3Å; V67-V122 HydrophobicContact CG2-CB 4.24Å; F68-V122 PolarHBondContact N-O 2.93Å; V122-D124 PolarHBondContact O-N 3.16Å
123	F	98.4	Very high	94.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	94.8	176.8	-168.4	-105.5	0	0	0	110.3	V36 I37 M39 F68 V70 A102 A105 L106 V109 A125 I136	V36-F123 HydrophobicContact CG1-CB 4.2Å; I37-F123 PolarHBondContact O-N 3.48Å; M39-F123 PolarHBondContact N-O 2.6Å; M39-F123 VanDerWaalsContact N-O 3.09Å; F68-F123 HydrophobicContact CB-CD2 4.49Å; V70-F123 HydrophobicContact CG2-CD2 4.45Å; V70-F123 HydrophobicContact CG2-CE1 4.1Å; V70-F123 HydrophobicContact CG2-CE2 3.72Å; V70-F123 HydrophobicContact CG2-CZ 3.51Å; A102-F123 HydrophobicContact CB-CZ 4.18Å; A105-F123 HydrophobicContact CB-CD2 4.46Å; A105-F123 HydrophobicContact CB-CE2 3.7Å; L106-F123 HydrophobicContact CD2-CD2 3.98Å; L106-F123 HydrophobicContact CD2-CE2 3.77Å; L106-F123 HydrophobicContact CD2-CZ 4.16Å; L106-F123 HydrophobicContact CG-CE2 3.85Å; L106-F123 HydrophobicContact CG-CZ 4.09Å; V109-F123 HydrophobicContact CG2-CD2 4.29Å; F123-A125 HydrophobicContact CE1-CB 4.21Å; F123-A125 PolarHBondContact O-N 2.8Å; F123-I136 HydrophobicContact CD1-CD1 3.97Å; F123-I136 HydrophobicContact CE1-CD1 3.74Å; F123-I136 HydrophobicContact CE1-CG1 4.45Å
124	D	97.3	Very high	95	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.027	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	98.3	-176.2	-177.4	19.7	0	0	0	111.3	M39 T48 V67 F68 N69 V70 V122	M39-D124 HydrophobicContact CG-CB 4.35Å; T48-D124 VanDerWaalsContact CA-OD2 3.32Å; T48-D124 WeakPolarHBondContact CA-OD2 3.35Å; T48-D124 VanDerWaalsContact CB-OD2 3.32Å; T48-D124 WeakPolarHBondContact CB-OD2 3.11Å; T48-D124 WeakPolarHBondContact CG2-OD2 3.42Å; T48-D124 PolarHBondContact OG1-OD2 3.34Å; V67-D124 HydrophobicContact CG1-CB 4Å; F68-D124 PolarHBondContact O-N 3.48Å; N69-D124 HydrophobicContact CB-CB 4.45Å; N69-D124 PolarHBondContact ND2-OD2 3.49Å; V70-D124 PolarHBondContact N-O 3.45Å; V122-D124 PolarHBondContact O-N 3.16Å
125	A	95.7	Very high	95.3	Very high	14 Å²	14	36.1 Å²	36.1	12%	0.116	19%	0.192	C	C	.	.	S	Bend	trans	-147.9	-179.6	172	0	0	0	0	0	110.4	M39 K47 V70 F123	M39-A125 VanDerWaalsContact O-O 3.13Å; K47-A125 WeakPolarHBondContact CD-O 3.43Å; K47-A125 WeakPolarHBondContact CE-O 3.45Å; V70-A125 HydrophobicContact CB-CB 3.93Å; V70-A125 HydrophobicContact CG2-CB 3.74Å; F123-A125 HydrophobicContact CE1-CB 4.21Å; F123-A125 PolarHBondContact O-N 2.8Å
126	T	95.3	Very high	95.7	Very high	32 Å²	32	30.1 Å²	30.1	20%	0.196	16%	0.159	C	C	.	.			trans	-71.5	-42.5	176.3	50.5	0	0	0	0	112.4	V40 G41 P43 T128 Y193	V40-T126 CarbonylContact C-O 3.22Å; V40-T126 WeakPolarHBondContact CA-O 3.24Å; G41-T126 PolarHBondContact N-O 2.83Å; P43-T126 HydrophobicContact CG-CG2 4.19Å; T126-T128 PolarHBondContact O-N 2.7Å; T126-Y193 HydrophobicContact CG2-CD1 4.12Å; T126-Y193 HydrophobicContact CG2-CE1 3.95Å; T126-Y193 WeakPolarHBondContact OG1-CE1 3.46Å
127	N	97.4	Very high	96.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	15%	0.145	C	C	.	.			trans	44.2	38.8	179	-56.7	-42.3	0	0	0	113.7	V38 M39 V40 T129 R132 R133	V38-N127 HydrophobicContact CG1-CB 4.25Å; V38-N127 WeakPolarHBondContact CG1-ND2 3.11Å; M39-N127 WeakPolarHBondContact O-CB 3.3Å; M39-N127 PolarHBondContact O-ND2 3.32Å; V40-N127 HydrophobicContact CG2-CB 4.23Å; N127-T129 PolarHBondContact O-N 2.73Å; N127-R132 HydrophobicContact CB-CG 4.44Å; N127-R133 PolarHBondContact O-NH1 3.41Å
128	T	96.2	Very high	96.8	Very high	6 Å²	6	31.2 Å²	31.2	4%	0.037	16%	0.155	C	C	.	.			trans	-77.9	-16.5	-169.4	42.7	0	0	0	0	114	L42 T126 Y197 Q198	L42-T128 HydrophobicContact CD2-CG2 4.28Å; T126-T128 PolarHBondContact O-N 2.7Å; T128-Y197 HydrophobicContact CG2-CD2 3.59Å; T128-Y197 HydrophobicContact CG2-CE2 4.09Å; T128-Y197 HydrophobicContact CG2-CG 4.22Å; T128-Q198 PolarHBondContact O-N 2.69Å
129	T	96.6	Very high	97.1	Very high	40 Å²	40	32.4 Å²	32.4	25%	0.245	16%	0.16	C	C	.	.	S	Bend	trans	-102.8	149.5	179.9	63.7	0	0	0	0	111.5	N127 R132 R133	N127-T129 PolarHBondContact O-N 2.73Å; T129-R132 PolarHBondContact O-N 3.05Å; T129-R132 WeakPolarHBondContact OG1-CB 3.45Å; T129-R132 PolarHBondContact OG1-N 3.41Å; T129-R133 PolarHBondContact O-N 2.99Å
130	R	97.1	Very high	97.3	Very high	70 Å²	70	30.6 Å²	30.6	26%	0.264	15%	0.152	S	C	.	.	H	α-helix	trans	-61	-47.6	175.4	-72.5	174.7	178.2	170.3	-2.1	111.4	R132 R133 D134 Q198 D201 Y205	R130-R132 PolarHBondContact O-N 3.27Å; R130-R132 VanDerWaalsContact O-N 3.09Å; R130-R133 CarbonylContact O-C 3.53Å; R130-R133 WeakPolarHBondContact O-CA 3.42Å; R130-R133 WeakPolarHBondContact O-CB 3.04Å; R130-R133 PolarHBondContact O-N 3.16Å; R130-D134 VanDerWaalsContact O-CG 3.31Å; R130-D134 PolarHBondContact O-N 3.25Å; R130-Q198 HydrophobicContact CG-CB 4.16Å; R130-D201 IonicContact NH2-OD2 3.48Å; R130-Y205 HydrophobicContact CB-CE1 4.07Å; R130-Y205 HydrophobicContact CG-CD1 4.05Å; R130-Y205 HydrophobicContact CG-CE1 3.84Å
131	D	95.9	Very high	97.2	Very high	127 Å²	127	34.5 Å²	34.5	68%	0.679	18%	0.179	S	C	*	.	H	α-helix	trans	-52.7	-39.4	178	-55.8	-13.7	0	0	0	113.2	L135	D131-L135 WeakPolarHBondContact O-CB 3.49Å; D131-L135 PolarHBondContact O-N 3.17Å; D131-L135 VanDerWaalsContact O-N 3.1Å
132	R	95.8	Very high	97.2	Very high	51 Å²	51	40.3 Å²	40.3	19%	0.192	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-40	176.8	178.7	57.9	65.2	103	-1.2	111.3	N127 T129 R130 I136	N127-R132 HydrophobicContact CB-CG 4.44Å; T129-R132 PolarHBondContact O-N 3.05Å; T129-R132 WeakPolarHBondContact OG1-CB 3.45Å; T129-R132 PolarHBondContact OG1-N 3.41Å; R130-R132 PolarHBondContact O-N 3.27Å; R130-R132 VanDerWaalsContact O-N 3.09Å; R132-I136 HydrophobicContact CG-CD1 4.28Å; R132-I136 WeakPolarHBondContact O-CD1 3.49Å; R132-I136 VanDerWaalsContact O-CG1 3.32Å; R132-I136 WeakPolarHBondContact O-CG1 3.41Å; R132-I136 PolarHBondContact O-N 3.28Å
133	R	98.1	Very high	97.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-70	-39.4	178	-64.8	-166.1	-61.9	-95.9	14.7	111.4	N127 T129 R130 L135 I136 L137 F149 Q198 D206	N127-R133 PolarHBondContact O-NH1 3.41Å; T129-R133 PolarHBondContact O-N 2.99Å; R130-R133 CarbonylContact O-C 3.53Å; R130-R133 WeakPolarHBondContact O-CA 3.42Å; R130-R133 WeakPolarHBondContact O-CB 3.04Å; R130-R133 PolarHBondContact O-N 3.16Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 3.05Å; R133-I136 CarbonylContact O-C 3.26Å; R133-I136 PolarHBondContact O-N 3.18Å; R133-I136 VanDerWaalsContact O-N 3.08Å; R133-L137 WeakPolarHBondContact O-CG 2.9Å; R133-L137 PolarHBondContact O-N 3.49Å; R133-F149 HydrophobicContact CB-CE1 4.03Å; R133-F149 HydrophobicContact CB-CZ 4.29Å; R133-F149 HydrophobicContact CG-CE1 3.95Å; R133-Q198 PolarHBondContact NH1-O 2.57Å; R133-Q198 PolarHBondContact NH2-O 2.91Å; R133-D206 IonicContact NE-OD1 2.67Å; R133-D206 IonicContact NH2-OD1 3.83Å; R133-D206 IonicContact NH2-OD2 3.79Å
134	D	97.9	Very high	96.9	Very high	51 Å²	51	46.7 Å²	46.7	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-39.6	175.8	-60.7	-29.6	0	0	0	111.7	R130 I136 L137 K138 Y205	R130-D134 VanDerWaalsContact O-CG 3.31Å; R130-D134 PolarHBondContact O-N 3.25Å; D134-I136 VanDerWaalsContact C-N 3.31Å; D134-I136 PolarHBondContact O-N 2.98Å; D134-L137 PolarHBondContact O-N 3.01Å; D134-K138 WeakPolarHBondContact O-CB 3.09Å; D134-K138 PolarHBondContact O-N 2.9Å; D134-Y205 PolarHBondContact OD1-OH 2.99Å; D134-Y205 PolarHBondContact OD2-OH 3.25Å
135	L	97.6	Very high	96.9	Very high	52 Å²	52	47.2 Å²	47.2	27%	0.272	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-42.8	172.2	-178	153.4	0	0	0	111.8	L103 L106 D131 R133 K138 F139	L103-L135 HydrophobicContact CD2-CD1 4.37Å; L103-L135 HydrophobicContact CD2-CD2 4.17Å; L106-L135 HydrophobicContact CD1-CD2 3.67Å; D131-L135 WeakPolarHBondContact O-CB 3.49Å; D131-L135 PolarHBondContact O-N 3.17Å; D131-L135 VanDerWaalsContact O-N 3.1Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-L135 PolarHBondContact O-N 3.05Å; L135-K138 PolarHBondContact O-N 3.27Å; L135-F139 WeakPolarHBondContact O-CB 3.24Å; L135-F139 PolarHBondContact O-N 3.01Å
136	I	98.1	Very high	97	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.7	-37.7	179.4	-62.1	162.6	0	0	0	111	V38 L106 F123 R132 R133 D134 F139 G140 I147	V38-I136 HydrophobicContact CG1-CD1 3.92Å; V38-I136 HydrophobicContact CG2-CG2 3.61Å; L106-I136 HydrophobicContact CD1-CG1 4.37Å; F123-I136 HydrophobicContact CD1-CD1 3.97Å; F123-I136 HydrophobicContact CE1-CD1 3.74Å; F123-I136 HydrophobicContact CE1-CG1 4.45Å; R132-I136 HydrophobicContact CG-CD1 4.28Å; R132-I136 WeakPolarHBondContact O-CD1 3.49Å; R132-I136 VanDerWaalsContact O-CG1 3.32Å; R132-I136 WeakPolarHBondContact O-CG1 3.41Å; R132-I136 PolarHBondContact O-N 3.28Å; R133-I136 CarbonylContact O-C 3.26Å; R133-I136 PolarHBondContact O-N 3.18Å; R133-I136 VanDerWaalsContact O-N 3.08Å; D134-I136 VanDerWaalsContact C-N 3.31Å; D134-I136 PolarHBondContact O-N 2.98Å; I136-F139 WeakPolarHBondContact O-CB 3.47Å; I136-F139 PolarHBondContact O-N 3.12Å; I136-G140 PolarHBondContact O-N 3Å; I136-I147 HydrophobicContact CG2-CD1 4.35Å
137	L	98.2	Very high	97.1	Very high	40 Å²	40	47.8 Å²	47.8	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-60.7	-46	173.2	-75.1	165.5	0	0	0	111.1	R133 D134 G140 S141 I147 F149 H209	R133-L137 WeakPolarHBondContact O-CG 2.9Å; R133-L137 PolarHBondContact O-N 3.49Å; D134-L137 PolarHBondContact O-N 3.01Å; L137-G140 PolarHBondContact O-N 3.44Å; L137-S141 PolarHBondContact O-N 2.92Å; L137-I147 HydrophobicContact CD2-CB 4.06Å; L137-I147 HydrophobicContact CD2-CG1 4.2Å; L137-I147 HydrophobicContact CD2-CG2 4.03Å; L137-F149 HydrophobicContact CD1-CZ 4.24Å; L137-F149 HydrophobicContact CD2-CE2 3.97Å; L137-F149 HydrophobicContact CD2-CZ 3.93Å; L137-F149 HydrophobicContact CG-CE2 4.42Å; L137-F149 HydrophobicContact CG-CZ 3.93Å; L137-H209 WeakPolarHBondContact CD1-NE2 3.36Å
138	K	98.2	Very high	97.2	Very high	128 Å²	128	47.7 Å²	47.7	56%	0.557	24%	0.24	S	C	*	.	H	α-helix	trans	-58.7	-49.4	174.3	-177	174.8	174.7	176.5	0	111.1	D134 L135 G140 S141 E142	D134-K138 WeakPolarHBondContact O-CB 3.09Å; D134-K138 PolarHBondContact O-N 2.9Å; L135-K138 PolarHBondContact O-N 3.27Å; K138-G140 VanDerWaalsContact C-N 3.28Å; K138-G140 PolarHBondContact O-N 3.15Å; K138-S141 PolarHBondContact O-N 3.17Å; K138-S141 VanDerWaalsContact O-N 3.15Å; K138-S141 PolarHBondContact O-OG 3.02Å; K138-E142 WeakPolarHBondContact CE-OE1 3.47Å; K138-E142 HydrophobicContact CG-CG 4.37Å; K138-E142 IonicContact NZ-OE1 2.69Å; K138-E142 WeakPolarHBondContact O-CG 3.19Å; K138-E142 PolarHBondContact O-N 3.5Å
139	F	98.1	Very high	97.3	Very high	24 Å²	24	47.5 Å²	47.5	11%	0.105	24%	0.238	C	C	.	.	H	α-helix	trans	-55	-42.4	174.6	167.1	-92.6	0	0	0	112.6	V36 L106 V109 K110 L135 I136 N143 F145	V36-F139 HydrophobicContact CG2-CE1 4.46Å; L106-F139 HydrophobicContact CB-CD2 4.18Å; L106-F139 HydrophobicContact CB-CE2 3.99Å; L106-F139 HydrophobicContact CB-CZ 4.21Å; L106-F139 HydrophobicContact CD1-CG 4.36Å; L106-F139 HydrophobicContact CD2-CD1 3.84Å; L106-F139 HydrophobicContact CD2-CE1 3.89Å; L106-F139 HydrophobicContact CD2-CG 4.24Å; L106-F139 HydrophobicContact CD2-CZ 4.32Å; L106-F139 WeakPolarHBondContact O-CE2 3.32Å; L106-F139 WeakPolarHBondContact O-CZ 3.27Å; V109-F139 HydrophobicContact CB-CZ 4.39Å; V109-F139 HydrophobicContact CG1-CE1 3.99Å; V109-F139 HydrophobicContact CG1-CZ 4.11Å; K110-F139 HydrophobicContact CB-CE2 4.09Å; K110-F139 HydrophobicContact CB-CZ 3.95Å; L135-F139 WeakPolarHBondContact O-CB 3.24Å; L135-F139 PolarHBondContact O-N 3.01Å; I136-F139 WeakPolarHBondContact O-CB 3.47Å; I136-F139 PolarHBondContact O-N 3.12Å; F139-N143 PolarHBondContact O-N 3.37Å; F139-N143 PolarHBondContact O-ND2 3.14Å; F139-F145 AromaticContact CE1-CD2 3.84Å; F139-F145 HydrophobicContact CE1-CD2 3.84Å; F139-F145 AromaticContact CE1-CE2 3.99Å; F139-F145 HydrophobicContact CE1-CE2 3.99Å; F139-F145 HydrophobicContact CZ-CD2 4.26Å; F139-F145 AromaticContact CZ-CE2 3.94Å; F139-F145 HydrophobicContact CZ-CE2 3.94Å
140	G	97.1	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-49.2	175.7	0	0	0	0	0	112.2	I136 L137 K138 E142 N143 D144 F145	I136-G140 PolarHBondContact O-N 3Å; L137-G140 PolarHBondContact O-N 3.44Å; K138-G140 VanDerWaalsContact C-N 3.28Å; K138-G140 PolarHBondContact O-N 3.15Å; G140-E142 PolarHBondContact O-N 2.92Å; G140-N143 PolarHBondContact O-N 3Å; G140-D144 PolarHBondContact O-N 3.35Å; G140-D144 VanDerWaalsContact O-N 3.1Å; G140-F145 PolarHBondContact O-N 3.23Å
141	S	96.4	Very high	97.5	Very high	83 Å²	83	42.2 Å²	42.2	58%	0.58	21%	0.214	S	C	*	.	H	α-helix	trans	-62.6	-40.5	179.8	69.3	0	0	0	0	113.4	L137 K138 N143	L137-S141 PolarHBondContact O-N 2.92Å; K138-S141 PolarHBondContact O-N 3.17Å; K138-S141 VanDerWaalsContact O-N 3.15Å; K138-S141 PolarHBondContact O-OG 3.02Å; S141-N143 PolarHBondContact O-N 2.89Å
142	E	97.4	Very high	97.5	Very high	121 Å²	121	36.5 Å²	36.5	57%	0.565	18%	0.184	S	C	*	.	H	α-helix	trans	-70.7	-17.5	180	-71.7	174.9	170.7	0	0	113.4	K138 G140	K138-E142 WeakPolarHBondContact CE-OE1 3.47Å; K138-E142 HydrophobicContact CG-CG 4.37Å; K138-E142 IonicContact NZ-OE1 2.69Å; K138-E142 WeakPolarHBondContact O-CG 3.19Å; K138-E142 PolarHBondContact O-N 3.5Å; G140-E142 PolarHBondContact O-N 2.92Å
143	N	96	Very high	97.4	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-115.9	5.4	-176.6	-68.9	-79.3	0	0	0	114	K110 K114 F139 G140 S141 F145	K110-N143 VanDerWaalsContact CD-OD1 3.29Å; K110-N143 WeakPolarHBondContact CD-OD1 3.08Å; K110-N143 WeakPolarHBondContact CE-OD1 3.41Å; K110-N143 PolarHBondContact NZ-OD1 3.34Å; K110-N143 VanDerWaalsContact NZ-OD1 3.15Å; K114-N143 VanDerWaalsContact CE-O 3.27Å; K114-N143 WeakPolarHBondContact CE-O 3.41Å; K114-N143 PolarHBondContact NZ-O 3.21Å; K114-N143 PolarHBondContact NZ-OD1 3.12Å; F139-N143 PolarHBondContact O-N 3.37Å; F139-N143 PolarHBondContact O-ND2 3.14Å; G140-N143 PolarHBondContact O-N 3Å; S141-N143 PolarHBondContact O-N 2.89Å; N143-F145 VanDerWaalsContact C-N 3.34Å; N143-F145 HydrophobicContact CB-CD1 4.47Å; N143-F145 HydrophobicContact CB-CD2 3.61Å; N143-F145 HydrophobicContact CB-CE1 4.31Å; N143-F145 HydrophobicContact CB-CE2 3.42Å; N143-F145 VanDerWaalsContact CB-CE2 3.42Å; N143-F145 HydrophobicContact CB-CG 4.15Å; N143-F145 HydrophobicContact CB-CZ 3.81Å; N143-F145 WeakPolarHBondContact O-CD1 3.43Å; N143-F145 WeakPolarHBondContact O-CE1 3.36Å
144	D	95.5	Very high	97.1	Very high	126 Å²	126	36.1 Å²	36.1	67%	0.674	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	41.9	-175.5	-55.1	-60.6	0	0	0	112.9	P33 G140	P33-D144 WeakPolarHBondContact CB-O 3.49Å; G140-D144 PolarHBondContact O-N 3.35Å; G140-D144 VanDerWaalsContact O-N 3.1Å
145	F	96.6	Very high	96.6	Very high	16 Å²	16	41.1 Å²	41.1	7%	0.07	21%	0.209	C	C	.	.			trans	-105	140.5	174	-54.6	-35.3	0	0	0	111.3	P34 V36 L113 K114 F139 G140 N143	P34-F145 HydrophobicContact CB-CD1 4.14Å; P34-F145 HydrophobicContact CB-CE1 4.44Å; P34-F145 HydrophobicContact CG-CD1 4.29Å; P34-F145 HydrophobicContact CG-CE1 4.34Å; P34-F145 WeakPolarHBondContact O-CA 3.38Å; V36-F145 HydrophobicContact CG2-CB 4.07Å; V36-F145 HydrophobicContact CG2-CD2 4.07Å; V36-F145 HydrophobicContact CG2-CG 4.33Å; L113-F145 HydrophobicContact CB-CD1 4.49Å; L113-F145 HydrophobicContact CB-CE1 3.73Å; L113-F145 HydrophobicContact CB-CE2 4.43Å; L113-F145 HydrophobicContact CB-CZ 3.68Å; L113-F145 HydrophobicContact CD1-CD1 4.11Å; L113-F145 HydrophobicContact CD1-CD2 4.04Å; L113-F145 HydrophobicContact CD1-CE1 4.06Å; L113-F145 HydrophobicContact CD1-CE2 3.99Å; L113-F145 HydrophobicContact CD1-CG 4.09Å; L113-F145 HydrophobicContact CD1-CZ 3.99Å; L113-F145 HydrophobicContact CG-CZ 4.46Å; K114-F145 HydrophobicContact CD-CZ 4.31Å; K114-F145 HydrophobicContact CG-CE1 4.1Å; K114-F145 HydrophobicContact CG-CZ 3.92Å; F139-F145 AromaticContact CE1-CD2 3.84Å; F139-F145 HydrophobicContact CE1-CD2 3.84Å; F139-F145 AromaticContact CE1-CE2 3.99Å; F139-F145 HydrophobicContact CE1-CE2 3.99Å; F139-F145 HydrophobicContact CZ-CD2 4.26Å; F139-F145 AromaticContact CZ-CE2 3.94Å; F139-F145 HydrophobicContact CZ-CE2 3.94Å; G140-F145 PolarHBondContact O-N 3.23Å; N143-F145 VanDerWaalsContact C-N 3.34Å; N143-F145 HydrophobicContact CB-CD1 4.47Å; N143-F145 HydrophobicContact CB-CD2 3.61Å; N143-F145 HydrophobicContact CB-CE1 4.31Å; N143-F145 HydrophobicContact CB-CE2 3.42Å; N143-F145 VanDerWaalsContact CB-CE2 3.42Å; N143-F145 HydrophobicContact CB-CG 4.15Å; N143-F145 HydrophobicContact CB-CZ 3.81Å; N143-F145 WeakPolarHBondContact O-CD1 3.43Å; N143-F145 WeakPolarHBondContact O-CE1 3.36Å
146	K	97	Very high	96.2	Very high	41 Å²	41	41 Å²	41	18%	0.178	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	142.3	168.4	-67.7	175.9	176.4	177.8	0	109.8	P33 P34 T35 V36 D228	P33-K146 HydrophobicContact CB-CG 4.33Å; P34-K146 PolarHBondContact O-N 3.31Å; T35-K146 CarbonylContact C-O 3.55Å; T35-K146 WeakPolarHBondContact CA-O 3.45Å; T35-K146 HydrophobicContact CG2-CB 4.36Å; V36-K146 PolarHBondContact N-O 2.84Å; K146-D228 VanDerWaalsContact CD-OD2 3.27Å; K146-D228 WeakPolarHBondContact CD-OD2 3.44Å; K146-D228 IonicContact NZ-OD2 3.21Å; K146-D228 PolarHBondContact NZ-OD2 2.57Å
147	I	98.3	Very high	95.8	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.087	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.2	175.2	-56	-56.9	0	0	0	109.1	V36 V38 I136 L137 F149	V36-I147 HydrophobicContact CB-CD1 3.74Å; V36-I147 HydrophobicContact CG1-CD1 4.44Å; V36-I147 HydrophobicContact CG2-CD1 4.19Å; V36-I147 WeakPolarHBondContact O-CA 3.41Å; V38-I147 HydrophobicContact CG2-CG2 3.86Å; I136-I147 HydrophobicContact CG2-CD1 4.35Å; L137-I147 HydrophobicContact CD2-CB 4.06Å; L137-I147 HydrophobicContact CD2-CG1 4.2Å; L137-I147 HydrophobicContact CD2-CG2 4.03Å; I147-F149 HydrophobicContact CG2-CD2 4.15Å; I147-F149 HydrophobicContact CG2-CE1 4.15Å; I147-F149 HydrophobicContact CG2-CE2 3.6Å; I147-F149 HydrophobicContact CG2-CZ 3.59Å
148	F	98.7	Very high	95.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.5	175	-177.1	-116	0	0	0	110.1	T35 V36 I37 V38 I150 S210 I212 I226 Q231 I234 V235	T35-F148 HydrophobicContact CG2-CB 4.14Å; V36-F148 PolarHBondContact O-N 3.42Å; I37-F148 CarbonylContact C-O 3.51Å; I37-F148 VanDerWaalsContact CA-O 3.26Å; I37-F148 WeakPolarHBondContact CA-O 3.46Å; V38-F148 PolarHBondContact N-O 3.33Å; F148-I150 HydrophobicContact CD1-CG1 4.17Å; F148-I150 HydrophobicContact CE1-CD1 4.41Å; F148-I150 HydrophobicContact CE1-CG1 3.92Å; F148-S210 WeakPolarHBondContact CA-O 3.49Å; F148-S210 WeakPolarHBondContact CD2-O 3.32Å; F148-I212 HydrophobicContact CE1-CG2 3.93Å; F148-I212 HydrophobicContact CZ-CB 4.14Å; F148-I212 HydrophobicContact CZ-CG2 3.67Å; F148-I226 HydrophobicContact CE2-CD1 3.61Å; F148-I226 HydrophobicContact CZ-CD1 4.05Å; F148-Q231 HydrophobicContact CB-CG 4.18Å; F148-Q231 HydrophobicContact CD1-CG 4.44Å; F148-Q231 HydrophobicContact CD2-CB 4.33Å; F148-Q231 HydrophobicContact CD2-CG 3.88Å; F148-Q231 HydrophobicContact CE2-CB 4.36Å; F148-Q231 HydrophobicContact CE2-CG 4.4Å; F148-Q231 HydrophobicContact CG-CG 3.91Å; F148-I234 HydrophobicContact CD1-CD1 4.3Å; F148-I234 HydrophobicContact CD1-CG2 4.43Å; F148-I234 HydrophobicContact CE1-CB 4.29Å; F148-I234 HydrophobicContact CE1-CG2 3.76Å; F148-V235 HydrophobicContact CZ-CG2 3.98Å
149	F	98.8	Very high	94.7	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	139.5	-179.2	-56.5	-93.2	0	0	0	111.9	V38 V40 R133 L137 I147 L200 H209 S210 F211 I212	V38-F149 HydrophobicContact CB-CD1 3.54Å; V38-F149 HydrophobicContact CB-CE1 3.84Å; V38-F149 HydrophobicContact CB-CG 4.37Å; V38-F149 HydrophobicContact CG1-CD1 3.69Å; V38-F149 HydrophobicContact CG1-CE1 3.78Å; V38-F149 HydrophobicContact CG2-CD1 4.32Å; V38-F149 HydrophobicContact CG2-CE1 4.21Å; V38-F149 WeakPolarHBondContact O-CA 3.32Å; V40-F149 HydrophobicContact CG2-CB 4.38Å; V40-F149 HydrophobicContact CG2-CD1 3.84Å; R133-F149 HydrophobicContact CB-CE1 4.03Å; R133-F149 HydrophobicContact CB-CZ 4.29Å; R133-F149 HydrophobicContact CG-CE1 3.95Å; L137-F149 HydrophobicContact CD1-CZ 4.24Å; L137-F149 HydrophobicContact CD2-CE2 3.97Å; L137-F149 HydrophobicContact CD2-CZ 3.93Å; L137-F149 HydrophobicContact CG-CE2 4.42Å; L137-F149 HydrophobicContact CG-CZ 3.93Å; I147-F149 HydrophobicContact CG2-CD2 4.15Å; I147-F149 HydrophobicContact CG2-CE1 4.15Å; I147-F149 HydrophobicContact CG2-CE2 3.6Å; I147-F149 HydrophobicContact CG2-CZ 3.59Å; F149-L200 HydrophobicContact CB-CD1 3.8Å; F149-L200 HydrophobicContact CG-CD1 4.47Å; F149-L200 HydrophobicContact CG-CD2 4.46Å; F149-H209 HydrophobicContact CD2-CB 4.46Å; F149-H209 HydrophobicContact CE2-CB 4.25Å; F149-S210 PolarHBondContact N-O 3.48Å; F149-F211 HydrophobicContact CB-CB 3.69Å; F149-F211 HydrophobicContact CD2-CB 4.45Å; F149-F211 CarbonylContact O-C 3.59Å; F149-F211 WeakPolarHBondContact O-CA 3.05Å; F149-F211 WeakPolarHBondContact O-CB 3.37Å; F149-I212 PolarHBondContact O-N 2.85Å
150	I	98.6	Very high	94.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	104.8	168.4	-58.4	173.1	0	0	0	107.4	I37 V38 M39 V40 I50 L54 F148 I212 V214 I234 L238	I37-I150 HydrophobicContact CG2-CD1 3.36Å; I37-I150 HydrophobicContact CG2-CG1 3.84Å; V38-I150 PolarHBondContact O-N 3.46Å; M39-I150 CarbonylContact C-O 3.53Å; M39-I150 WeakPolarHBondContact CA-O 3.11Å; M39-I150 HydrophobicContact CE-CB 4.04Å; M39-I150 HydrophobicContact CE-CG2 3.85Å; M39-I150 HydrophobicContact SD-CB 3.93Å; M39-I150 HydrophobicContact SD-CD1 4.18Å; M39-I150 HydrophobicContact SD-CG2 4.37Å; V40-I150 PolarHBondContact N-O 2.76Å; I50-I150 HydrophobicContact CG2-CG2 4.37Å; L54-I150 HydrophobicContact CD2-CD1 3.77Å; F148-I150 HydrophobicContact CD1-CG1 4.17Å; F148-I150 HydrophobicContact CE1-CD1 4.41Å; F148-I150 HydrophobicContact CE1-CG1 3.92Å; I150-I212 WeakPolarHBondContact CA-O 3.29Å; I150-I212 HydrophobicContact CB-CG2 4.27Å; I150-I212 HydrophobicContact CG1-CG2 3.82Å; I150-I212 HydrophobicContact CG2-CG2 4.19Å; I150-V214 HydrophobicContact CG2-CG2 4.45Å; I150-I234 HydrophobicContact CD1-CG2 4Å; I150-L238 HydrophobicContact CD1-CD1 4Å; I150-L238 HydrophobicContact CG1-CD1 4.3Å; I150-L238 HydrophobicContact CG2-CD1 4.14Å
151	E	98.5	Very high	93.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.3	175.7	-175.3	173.3	-136.5	0	0	110.5	V40 V153 Y197 P199 L200 I212 K213 V214	V40-E151 HydrophobicContact CB-CB 3.94Å; V40-E151 HydrophobicContact CB-CG 4.05Å; V40-E151 HydrophobicContact CG1-CB 4.3Å; V40-E151 HydrophobicContact CG1-CG 3.95Å; V40-E151 WeakPolarHBondContact O-CA 3.42Å; E151-V153 HydrophobicContact CG-CG2 3.78Å; E151-Y197 PolarHBondContact OE1-OH 3.45Å; E151-P199 VanDerWaalsContact OE1-CA 3.29Å; E151-P199 WeakPolarHBondContact OE1-CA 3.21Å; E151-L200 HydrophobicContact CB-CD1 3.77Å; E151-L200 HydrophobicContact CB-CG 4.44Å; E151-L200 PolarHBondContact OE1-N 3.25Å; E151-L200 WeakPolarHBondContact OE2-CB 3.47Å; E151-L200 PolarHBondContact OE2-N 3.35Å; E151-I212 PolarHBondContact N-O 2.92Å; E151-K213 HydrophobicContact CB-CG 4.19Å; E151-K213 CarbonylContact O-C 3.58Å; E151-K213 WeakPolarHBondContact O-CA 3.46Å; E151-K213 WeakPolarHBondContact OE2-CD 3.24Å; E151-K213 WeakPolarHBondContact OE2-CE 3.23Å; E151-K213 WeakPolarHBondContact OE2-CG 3.17Å; E151-K213 IonicContact OE2-NZ 3.48Å; E151-V214 PolarHBondContact O-N 3.29Å
152	S	96.1	Very high	93	Very high	7 Å²	7	42.9 Å²	42.9	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	112	172.2	-174.5	0	0	0	0	110.4	V40 R45	V40-S152 PolarHBondContact O-N 3.5Å; R45-S152 VanDerWaalsContact O-CB 3.26Å; R45-S152 WeakPolarHBondContact O-CB 3.29Å; R45-S152 PolarHBondContact O-OG 3.04Å
153	V	95.1	Very high	92.4	Very high	34 Å²	34	38.9 Å²	38.9	21%	0.206	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.3	178.6	-172.1	0	0	0	0	108.3	E151 V214 I215 D216	E151-V153 HydrophobicContact CG-CG2 3.78Å; V153-V214 PolarHBondContact N-O 3.1Å; V153-I215 CarbonylContact O-C 3.54Å; V153-I215 WeakPolarHBondContact O-CA 3.31Å; V153-D216 PolarHBondContact O-N 3.39Å
154	C	91.2	Very high	91.8	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.054	22%	0.221	C	C	.	.			trans	-150.6	140.3	172.9	167.5	0	0	0	0	106.3	R45	R45-C154 PolarHBondContact NE-O 3.26Å; R45-C154 VanDerWaalsContact NH1-C 3.3Å; R45-C154 PolarHBondContact NH1-O 3.22Å; R45-C154 PolarHBondContact NH2-O 2.72Å; R45-C154 VanDerWaalsContact NH2-O 3.13Å
155	E	88.1	Confident	91.2	Very high	157 Å²	157	36.5 Å²	36.5	73%	0.734	21%	0.209	S	C	*	.			trans	-117.5	-11.4	176	-65.2	-171.5	168.9	0	0	112.7	P157 D216	E155-P157 VanDerWaalsContact O-CD 3.23Å; E155-P157 WeakPolarHBondContact O-CD 3.23Å; E155-D216 PolarHBondContact N-OD1 3.1Å
156	D	88.9	Confident	90.3	Very high	49 Å²	49	41.6 Å²	41.6	26%	0.262	23%	0.233	S	C	.	.			trans	-60.3	114.7	179.7	-169.7	-32.2	0	0	0	112.3	S158 V159 I160	D156-S158 VanDerWaalsContact C-N 3.28Å; D156-S158 VanDerWaalsContact CG-OG 3.32Å; D156-S158 PolarHBondContact O-N 3.19Å; D156-S158 WeakPolarHBondContact OD1-CB 3.47Å; D156-S158 PolarHBondContact OD1-N 3.13Å; D156-S158 PolarHBondContact OD1-OG 2.58Å; D156-S158 PolarHBondContact OD2-OG 2.61Å; D156-V159 HydrophobicContact CB-CB 4.16Å; D156-V159 HydrophobicContact CB-CG2 3.94Å; D156-V159 PolarHBondContact O-N 3.29Å; D156-I160 VanDerWaalsContact O-CG1 3.29Å; D156-I160 WeakPolarHBondContact O-CG1 3.26Å; D156-I160 PolarHBondContact O-N 3.2Å
157	P	88.2	Confident	89.4	Confident	98 Å²	98	40.5 Å²	40.5	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-61.6	-31.7	179.3	-23.9	35.3	0	0	0	114.3	E155 I160 A161	E155-P157 VanDerWaalsContact O-CD 3.23Å; E155-P157 WeakPolarHBondContact O-CD 3.23Å; P157-I160 PolarHBondContact O-N 3.12Å; P157-A161 WeakPolarHBondContact O-CB 3.49Å; P157-A161 PolarHBondContact O-N 3.01Å
158	S	87.8	Confident	88.5	Confident	77 Å²	77	41.7 Å²	41.7	54%	0.538	23%	0.234	S	C	.	.	H	α-helix	trans	-69.1	-43.2	-178.2	71	0	0	0	0	111.3	D156 A161 S162	D156-S158 VanDerWaalsContact C-N 3.28Å; D156-S158 VanDerWaalsContact CG-OG 3.32Å; D156-S158 PolarHBondContact O-N 3.19Å; D156-S158 WeakPolarHBondContact OD1-CB 3.47Å; D156-S158 PolarHBondContact OD1-N 3.13Å; D156-S158 PolarHBondContact OD1-OG 2.58Å; D156-S158 PolarHBondContact OD2-OG 2.61Å; S158-A161 PolarHBondContact O-N 3.26Å; S158-S162 PolarHBondContact O-N 3.13Å
159	V	85.5	Confident	87.5	Confident	33 Å²	33	42.4 Å²	42.4	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-42	175.2	174.7	0	0	0	0	110.7	D156 N163 V217	D156-V159 HydrophobicContact CB-CB 4.16Å; D156-V159 HydrophobicContact CB-CG2 3.94Å; D156-V159 PolarHBondContact O-N 3.29Å; V159-N163 WeakPolarHBondContact O-CB 3.49Å; V159-N163 VanDerWaalsContact O-CG 3.25Å; V159-N163 PolarHBondContact O-N 2.65Å; V159-N163 PolarHBondContact O-ND2 3.14Å; V159-V217 HydrophobicContact CB-CG2 4.45Å; V159-V217 HydrophobicContact CG1-CG2 3.6Å; V159-V217 HydrophobicContact CG2-CG2 4.13Å
160	I	86.4	Confident	86.4	Confident	24 Å²	24	46.7 Å²	46.7	12%	0.123	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-50.3	175.6	-64.6	165	0	0	0	110.5	R45 D156 P157 N163 I164 I190	R45-I160 VanDerWaalsContact CZ-CD1 3.44Å; R45-I160 VanDerWaalsContact CZ-CG1 3.45Å; D156-I160 VanDerWaalsContact O-CG1 3.29Å; D156-I160 WeakPolarHBondContact O-CG1 3.26Å; D156-I160 PolarHBondContact O-N 3.2Å; P157-I160 PolarHBondContact O-N 3.12Å; I160-N163 PolarHBondContact O-N 3.45Å; I160-I164 HydrophobicContact CG2-CD1 3.63Å; I160-I164 HydrophobicContact CG2-CG1 4.3Å; I160-I164 VanDerWaalsContact O-CG1 3.27Å; I160-I164 WeakPolarHBondContact O-CG1 3.43Å; I160-I164 PolarHBondContact O-N 3.4Å; I160-I190 HydrophobicContact CG2-CD1 4.23Å
161	A	86.1	Confident	85.5	Confident	34 Å²	34	47.6 Å²	47.6	28%	0.281	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-47.3	-176.8	0	0	0	0	0	111.1	P157 S158 N163 I164 M165 M183	P157-A161 WeakPolarHBondContact O-CB 3.49Å; P157-A161 PolarHBondContact O-N 3.01Å; S158-A161 PolarHBondContact O-N 3.26Å; A161-N163 PolarHBondContact O-N 3.25Å; A161-I164 PolarHBondContact O-N 2.92Å; A161-M165 WeakPolarHBondContact O-CB 3.26Å; A161-M165 VanDerWaalsContact O-CG 3.27Å; A161-M165 WeakPolarHBondContact O-CG 3.13Å; A161-M165 PolarHBondContact O-N 3.44Å; A161-M183 HydrophobicContact CB-CE 4.46Å
162	S	85.1	Confident	84.7	Confident	49 Å²	49	52 Å²	52	34%	0.343	30%	0.303	S	S	.	.	H	α-helix	trans	-58.3	-48.7	175.2	154.6	0	0	0	0	111.6	S158 I164 M165 E166	S158-S162 PolarHBondContact O-N 3.13Å; S162-I164 VanDerWaalsContact C-N 3.3Å; S162-I164 PolarHBondContact O-N 2.83Å; S162-M165 PolarHBondContact O-N 2.99Å; S162-M165 VanDerWaalsContact O-N 3.16Å; S162-E166 WeakPolarHBondContact O-CB 3.45Å; S162-E166 WeakPolarHBondContact O-CG 3.42Å; S162-E166 PolarHBondContact O-N 3.43Å; S162-E166 PolarHBondContact OG-OE1 2.86Å
163	N	84.1	Confident	84.1	Confident	36 Å²	36	52.4 Å²	52.4	19%	0.193	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-37.3	178.2	-76	-24.6	0	0	0	113.3	A44 V159 I160 A161 V167	A44-N163 HydrophobicContact CB-CB 4.32Å; A44-N163 PolarHBondContact O-ND2 3.42Å; V159-N163 WeakPolarHBondContact O-CB 3.49Å; V159-N163 VanDerWaalsContact O-CG 3.25Å; V159-N163 PolarHBondContact O-N 2.65Å; V159-N163 PolarHBondContact O-ND2 3.14Å; I160-N163 PolarHBondContact O-N 3.45Å; A161-N163 PolarHBondContact O-N 3.25Å; N163-V167 WeakPolarHBondContact O-CB 3.5Å; N163-V167 PolarHBondContact O-N 3.43Å
164	I	83.8	Confident	83.6	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.296	C	S	.	.	I	π-helix	trans	-66.3	-50.9	175.9	-69.4	170.2	0	0	0	109.4	A44 I160 A161 S162 K168 V169 M183 F186 I190	A44-I164 HydrophobicContact CB-CD1 4.36Å; A44-I164 HydrophobicContact CB-CG1 3.65Å; I160-I164 HydrophobicContact CG2-CD1 3.63Å; I160-I164 HydrophobicContact CG2-CG1 4.3Å; I160-I164 VanDerWaalsContact O-CG1 3.27Å; I160-I164 WeakPolarHBondContact O-CG1 3.43Å; I160-I164 PolarHBondContact O-N 3.4Å; A161-I164 PolarHBondContact O-N 2.92Å; S162-I164 VanDerWaalsContact C-N 3.3Å; S162-I164 PolarHBondContact O-N 2.83Å; I164-K168 HydrophobicContact CG2-CB 4.46Å; I164-K168 WeakPolarHBondContact O-CA 3.35Å; I164-K168 WeakPolarHBondContact O-CB 3.44Å; I164-K168 PolarHBondContact O-N 3.1Å; I164-V169 HydrophobicContact CG2-CG2 3.88Å; I164-V169 WeakPolarHBondContact O-CG2 3.44Å; I164-V169 PolarHBondContact O-N 3.37Å; I164-M183 HydrophobicContact CG2-CG 4.28Å; I164-F186 HydrophobicContact CD1-CD1 3.87Å; I164-F186 HydrophobicContact CG1-CD1 3.77Å; I164-F186 HydrophobicContact CG1-CE1 4.14Å; I164-F186 HydrophobicContact CG2-CB 4.44Å; I164-I190 HydrophobicContact CD1-CD1 4.01Å
165	M	82.5	Confident	83.2	Confident	86 Å²	86	58.9 Å²	58.9	42%	0.424	33%	0.329	S	S	.	.	I	π-helix	trans	-65.5	-42.5	-174.3	-71.5	-58.6	-65.3	0	0	113.3	A161 S162 V169 K179 M183	A161-M165 WeakPolarHBondContact O-CB 3.26Å; A161-M165 VanDerWaalsContact O-CG 3.27Å; A161-M165 WeakPolarHBondContact O-CG 3.13Å; A161-M165 PolarHBondContact O-N 3.44Å; S162-M165 PolarHBondContact O-N 2.99Å; S162-M165 VanDerWaalsContact O-N 3.16Å; M165-V169 HydrophobicContact SD-CG2 3.99Å; M165-K179 HydrophobicContact CE-CD 4.45Å; M165-M183 HydrophobicContact SD-SD 4.02Å
166	E	77.4	Confident	82.9	Confident	123 Å²	123	58.9 Å²	58.9	58%	0.575	33%	0.334	S	S	*	.	I	π-helix	trans	-71.3	-35.9	-177.8	-74.7	175.1	-154.4	0	0	112.4	S162 S170	S162-E166 WeakPolarHBondContact O-CB 3.45Å; S162-E166 WeakPolarHBondContact O-CG 3.42Å; S162-E166 PolarHBondContact O-N 3.43Å; S162-E166 PolarHBondContact OG-OE1 2.86Å; E166-S170 PolarHBondContact O-OG 2.81Å
167	V	77.9	Confident	82.6	Confident	18 Å²	18	59.1 Å²	59.1	11%	0.109	34%	0.339	C	S	.	.	I	π-helix	trans	-125.6	-32.9	-160.2	-176.6	0	0	0	0	114.3	N163 A423 Y424	N163-V167 WeakPolarHBondContact O-CB 3.5Å; N163-V167 PolarHBondContact O-N 3.43Å; V167-A423 HydrophobicContact CG2-CB 3.38Å; V167-Y424 HydrophobicContact CG1-CE1 4.09Å; V167-Y424 HydrophobicContact CG1-CE2 3.55Å; V167-Y424 WeakPolarHBondContact CG1-OH 3.18Å
168	K	80.4	Confident	82.6	Confident	42 Å²	42	58.2 Å²	58.2	18%	0.183	33%	0.329	C	S	.	.	I	π-helix	trans	-98	-36	-170.5	-58.2	-55.8	179.7	-167.8	0	112.4	I164 S170 C171 Y174 F186	I164-K168 HydrophobicContact CG2-CB 4.46Å; I164-K168 WeakPolarHBondContact O-CA 3.35Å; I164-K168 WeakPolarHBondContact O-CB 3.44Å; I164-K168 PolarHBondContact O-N 3.1Å; K168-S170 PolarHBondContact O-N 3.25Å; K168-C171 WeakPolarHBondContact O-CB 3.11Å; K168-C171 PolarHBondContact O-N 3.42Å; K168-C171 VanDerWaalsContact O-N 3.15Å; K168-C171 PolarHBondContact O-SG 2.71Å; K168-Y174 WeakPolarHBondContact O-CD2 3.27Å; K168-F186 HydrophobicContact CB-CD2 4Å; K168-F186 HydrophobicContact CB-CE2 3.78Å; K168-F186 HydrophobicContact CB-CG 4.47Å; K168-F186 HydrophobicContact CB-CZ 4.08Å; K168-F186 HydrophobicContact CD-CE2 4.05Å; K168-F186 HydrophobicContact CD-CZ 3.98Å; K168-F186 HydrophobicContact CG-CD2 4.5Å; K168-F186 HydrophobicContact CG-CE1 4.19Å; K168-F186 HydrophobicContact CG-CE2 3.85Å; K168-F186 HydrophobicContact CG-CZ 3.67Å
169	V	77.5	Confident	82.6	Confident	14 Å²	14	61.4 Å²	61.4	9%	0.085	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.8	176.3	-178.5	0	0	0	0	111.9	I164 M165 K179 A182	I164-V169 HydrophobicContact CG2-CG2 3.88Å; I164-V169 WeakPolarHBondContact O-CG2 3.44Å; I164-V169 PolarHBondContact O-N 3.37Å; M165-V169 HydrophobicContact SD-CG2 3.99Å; V169-K179 HydrophobicContact CG1-CB 3.72Å; V169-K179 HydrophobicContact CG1-CD 4.3Å; V169-K179 HydrophobicContact CG1-CG 3.59Å; V169-A182 HydrophobicContact CG1-CB 4.06Å; V169-A182 HydrophobicContact CG2-CB 4.46Å
170	S	75.4	Confident	82.6	Confident	91 Å²	91	64.5 Å²	64.5	64%	0.636	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	3.6	176.4	54.1	0	0	0	0	114.1	E166 K168	E166-S170 PolarHBondContact O-OG 2.81Å; K168-S170 PolarHBondContact O-N 3.25Å
171	C	79.4	Confident	82.7	Confident	20 Å²	20	68.6 Å²	68.6	14%	0.135	37%	0.371	C	S	.	.	S	Bend	trans	-81.2	158.3	-176.4	86.1	0	0	0	0	112.3	K168 D173 Y174	K168-C171 WeakPolarHBondContact O-CB 3.11Å; K168-C171 PolarHBondContact O-N 3.42Å; K168-C171 VanDerWaalsContact O-N 3.15Å; K168-C171 PolarHBondContact O-SG 2.71Å; C171-D173 PolarHBondContact O-N 3.37Å; C171-Y174 PolarHBondContact O-N 2.97Å
172	P	82.1	Confident	82.8	Confident	93 Å²	93	67 Å²	67	60%	0.604	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-58.2	-22.8	-176	-25.9	34.7	0	0	0	115	Y174	P172-Y174 PolarHBondContact O-N 3.35Å
173	D	83.3	Confident	82.9	Confident	14 Å²	14	67.1 Å²	67.1	8%	0.075	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-64.2	-26.3	176.8	-65.9	-36.4	0	0	0	112.4	R74 R75 Y81 C171 R189	R74-D173 IonicContact CZ-OD1 3.67Å; R74-D173 IonicContact CZ-OD2 3.44Å; R74-D173 IonicContact NH1-OD1 2.67Å; R74-D173 PolarHBondContact NH1-OD1 3.36Å; R74-D173 IonicContact NH1-OD2 3.54Å; R74-D173 IonicContact NH2-OD1 2.8Å; R74-D173 PolarHBondContact NH2-OD1 3.08Å; R74-D173 IonicContact NH2-OD2 3.63Å; R74-D173 PolarHBondContact NH2-OD2 3.47Å; R75-D173 WeakPolarHBondContact CD-OD1 3.26Å; R75-D173 VanDerWaalsContact CG-OD1 3.32Å; R75-D173 WeakPolarHBondContact CG-OD1 3.37Å; R75-D173 IonicContact NH1-OD2 2.66Å; Y81-D173 HydrophobicContact CD1-CB 3.88Å; Y81-D173 VanDerWaalsContact CD1-O 3.29Å; Y81-D173 WeakPolarHBondContact CD1-O 3.28Å; Y81-D173 HydrophobicContact CE1-CB 4.48Å; Y81-D173 HydrophobicContact CG-CB 4.03Å; C171-D173 PolarHBondContact O-N 3.37Å; D173-R189 IonicContact OD2-NH1 2.65Å
174	Y	85.4	Confident	83.1	Confident	6 Å²	6	70.4 Å²	70.4	2%	0.024	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-116.1	21.6	-173.9	-62.4	-75.5	0	0	0	113	Y81 K168 C171 P172 D176 C177 A182 D185 F186	Y81-Y174 HydrophobicContact CD1-CE1 4.46Å; Y81-Y174 HydrophobicContact CE1-CD1 4.43Å; Y81-Y174 AromaticContact CE1-CE1 3.72Å; Y81-Y174 HydrophobicContact CE1-CE1 3.72Å; Y81-Y174 AromaticContact CE1-CZ 3.84Å; Y81-Y174 PolarHBondContact OH-OH 2.66Å; K168-Y174 WeakPolarHBondContact O-CD2 3.27Å; C171-Y174 PolarHBondContact O-N 2.97Å; P172-Y174 PolarHBondContact O-N 3.35Å; Y174-D176 PolarHBondContact O-N 2.87Å; Y174-C177 HydrophobicContact CD1-CB 4.29Å; Y174-C177 PolarHBondContact O-N 3.25Å; Y174-C177 VanDerWaalsContact O-N 3.1Å; Y174-A182 HydrophobicContact CD1-CB 3.5Å; Y174-A182 HydrophobicContact CD2-CB 4.46Å; Y174-A182 HydrophobicContact CE1-CB 4.17Å; Y174-A182 HydrophobicContact CG-CB 3.67Å; Y174-D185 HydrophobicContact CE1-CB 3.94Å; Y174-D185 WeakPolarHBondContact CE1-OD2 3.4Å; Y174-D185 PolarHBondContact OH-OD2 2.77Å; Y174-F186 AromaticContact CE2-CD2 3.73Å; Y174-F186 HydrophobicContact CE2-CD2 3.73Å; Y174-F186 HydrophobicContact CE2-CE2 4.42Å; Y174-F186 AromaticContact CZ-CD2 3.94Å; Y174-F186 WeakPolarHBondContact OH-CD2 3.46Å
175	K	82.3	Confident	83.5	Confident	173 Å²	173	71.6 Å²	71.6	75%	0.752	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.1	-175.5	-172.3	-176.7	175.4	-169.6	0	113
176	D	82.1	Confident	83.9	Confident	156 Å²	156	67.7 Å²	67.7	83%	0.834	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	8.6	-176.4	-53.9	-44.2	0	0	0	112.9	Y174	Y174-D176 PolarHBondContact O-N 2.87Å
177	C	82.8	Confident	84.6	Confident	55 Å²	55	66.5 Å²	66.5	37%	0.372	35%	0.35	S	S	.	.	S	Bend	trans	-105.7	147	-180	-60	0	0	0	0	111.1	Y174 A182	Y174-C177 HydrophobicContact CD1-CB 4.29Å; Y174-C177 PolarHBondContact O-N 3.25Å; Y174-C177 VanDerWaalsContact O-N 3.1Å; C177-A182 HydrophobicContact CB-CB 4.26Å
178	N	88.1	Confident	85.3	Confident	78 Å²	78	70.3 Å²	70.3	42%	0.417	37%	0.365	S	S	.	.			trans	-72.6	160.4	167.7	71.6	54.7	0	0	0	111	T180 E181 A182	N178-T180 VanDerWaalsContact C-N 3.27Å; N178-T180 PolarHBondContact O-N 3.17Å; N178-T180 PolarHBondContact OD1-N 3.38Å; N178-E181 PolarHBondContact ND2-OE1 3.33Å; N178-E181 PolarHBondContact ND2-OE2 2.86Å; N178-E181 PolarHBondContact O-N 2.72Å; N178-E181 WeakPolarHBondContact OD1-CB 3.23Å; N178-E181 WeakPolarHBondContact OD1-CG 3.39Å; N178-E181 PolarHBondContact OD1-N 3.33Å; N178-A182 WeakPolarHBondContact O-CB 3.4Å; N178-A182 PolarHBondContact O-N 3.49Å
179	K	86	Confident	85.9	Confident	144 Å²	144	69.8 Å²	69.8	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-60.5	-36.4	-173.5	-64.5	-167.8	173.7	176.2	0	113.2	M165 V169 M183	M165-K179 HydrophobicContact CE-CD 4.45Å; V169-K179 HydrophobicContact CG1-CB 3.72Å; V169-K179 HydrophobicContact CG1-CD 4.3Å; V169-K179 HydrophobicContact CG1-CG 3.59Å; K179-M183 WeakPolarHBondContact O-CB 3.21Å; K179-M183 PolarHBondContact O-N 2.74Å
180	T	87.1	Confident	86.6	Confident	99 Å²	99	69.5 Å²	69.5	61%	0.607	36%	0.36	S	S	*	.	H	α-helix	trans	-69.7	-47.8	-178.6	-49.3	0	0	0	0	110.9	N178 M183 M184	N178-T180 VanDerWaalsContact C-N 3.27Å; N178-T180 PolarHBondContact O-N 3.17Å; N178-T180 PolarHBondContact OD1-N 3.38Å; T180-M183 WeakPolarHBondContact O-CB 3.2Å; T180-M183 PolarHBondContact O-N 3.38Å; T180-M184 WeakPolarHBondContact O-CG 3.31Å; T180-M184 PolarHBondContact O-N 3.29Å
181	E	87.8	Confident	87.5	Confident	109 Å²	109	69.3 Å²	69.3	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-62.7	-44.9	176.5	-76	167.7	-163.8	0	0	111.7	N178 M183 M184 D185	N178-E181 PolarHBondContact ND2-OE1 3.33Å; N178-E181 PolarHBondContact ND2-OE2 2.86Å; N178-E181 PolarHBondContact O-N 2.72Å; N178-E181 WeakPolarHBondContact OD1-CB 3.23Å; N178-E181 WeakPolarHBondContact OD1-CG 3.39Å; N178-E181 PolarHBondContact OD1-N 3.33Å; E181-M183 VanDerWaalsContact C-N 3.28Å; E181-M183 PolarHBondContact O-N 2.96Å; E181-M184 PolarHBondContact O-N 2.87Å; E181-D185 WeakPolarHBondContact O-CB 3.12Å; E181-D185 PolarHBondContact O-N 3.25Å
182	A	88.3	Confident	88.1	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.008	35%	0.348	C	S	.	.	H	α-helix	trans	-58.4	-41.6	175.6	0	0	0	0	0	111.7	V169 Y174 C177 N178 F186	V169-A182 HydrophobicContact CG1-CB 4.06Å; V169-A182 HydrophobicContact CG2-CB 4.46Å; Y174-A182 HydrophobicContact CD1-CB 3.5Å; Y174-A182 HydrophobicContact CD2-CB 4.46Å; Y174-A182 HydrophobicContact CE1-CB 4.17Å; Y174-A182 HydrophobicContact CG-CB 3.67Å; C177-A182 HydrophobicContact CB-CB 4.26Å; N178-A182 WeakPolarHBondContact O-CB 3.4Å; N178-A182 PolarHBondContact O-N 3.49Å; A182-F186 VanDerWaalsContact O-CB 3.26Å; A182-F186 WeakPolarHBondContact O-CB 3.33Å; A182-F186 PolarHBondContact O-N 3.04Å
183	M	87.5	Confident	88.6	Confident	52 Å²	52	65.6 Å²	65.6	26%	0.256	32%	0.323	S	S	.	.	H	α-helix	trans	-64.3	-45.8	176.1	-177.6	176.1	177.6	0	0	111.9	A161 I164 M165 K179 T180 E181 F186 Q187	A161-M183 HydrophobicContact CB-CE 4.46Å; I164-M183 HydrophobicContact CG2-CG 4.28Å; M165-M183 HydrophobicContact SD-SD 4.02Å; K179-M183 WeakPolarHBondContact O-CB 3.21Å; K179-M183 PolarHBondContact O-N 2.74Å; T180-M183 WeakPolarHBondContact O-CB 3.2Å; T180-M183 PolarHBondContact O-N 3.38Å; E181-M183 VanDerWaalsContact C-N 3.28Å; E181-M183 PolarHBondContact O-N 2.96Å; M183-F186 PolarHBondContact O-N 2.85Å; M183-Q187 WeakPolarHBondContact O-CG 3.32Å; M183-Q187 PolarHBondContact O-N 3.23Å
184	M	89	Confident	89.1	Confident	105 Å²	105	70.4 Å²	70.4	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-43.9	178.4	-70.1	179.5	74	0	0	112.2	T180 E181 Q187 K188	T180-M184 WeakPolarHBondContact O-CG 3.31Å; T180-M184 PolarHBondContact O-N 3.29Å; E181-M184 PolarHBondContact O-N 2.87Å; M184-Q187 PolarHBondContact O-N 3.19Å; M184-K188 WeakPolarHBondContact O-CG 3.48Å; M184-K188 PolarHBondContact O-N 2.81Å; M184-K188 VanDerWaalsContact O-N 3.16Å
185	D	91.6	Very high	89.3	Confident	24 Å²	24	74.7 Å²	74.7	13%	0.128	37%	0.367	C	S	.	.	H	α-helix	trans	-61.1	-45.2	174.9	-179.4	80.4	0	0	0	111.1	Y81 S83 Y84 Y174 E181 Q187 K188 R189	Y81-D185 WeakPolarHBondContact CE1-OD2 3.4Å; Y81-D185 PolarHBondContact OH-OD2 2.8Å; S83-D185 WeakPolarHBondContact CA-OD1 3.48Å; Y84-D185 WeakPolarHBondContact CB-OD1 3.38Å; Y84-D185 WeakPolarHBondContact CD1-OD1 3.11Å; Y84-D185 PolarHBondContact N-OD1 2.98Å; Y174-D185 HydrophobicContact CE1-CB 3.94Å; Y174-D185 WeakPolarHBondContact CE1-OD2 3.4Å; Y174-D185 PolarHBondContact OH-OD2 2.77Å; E181-D185 WeakPolarHBondContact O-CB 3.12Å; E181-D185 PolarHBondContact O-N 3.25Å; D185-Q187 VanDerWaalsContact C-N 3.32Å; D185-Q187 PolarHBondContact O-N 2.66Å; D185-K188 PolarHBondContact O-N 3.28Å; D185-R189 WeakPolarHBondContact O-CB 3.05Å; D185-R189 PolarHBondContact O-N 3.48Å
186	F	90.9	Very high	89.8	Confident	5 Å²	5	68.6 Å²	68.6	2%	0.022	35%	0.346	C	S	.	.	H	α-helix	trans	-65.6	-35	-179.8	-156.9	-83.9	0	0	0	112.6	P43 A44 I164 K168 Y174 A182 M183 R189 I190	P43-F186 HydrophobicContact CB-CE1 3.74Å; P43-F186 HydrophobicContact CB-CZ 3.75Å; A44-F186 HydrophobicContact CB-CE1 3.76Å; I164-F186 HydrophobicContact CD1-CD1 3.87Å; I164-F186 HydrophobicContact CG1-CD1 3.77Å; I164-F186 HydrophobicContact CG1-CE1 4.14Å; I164-F186 HydrophobicContact CG2-CB 4.44Å; K168-F186 HydrophobicContact CB-CD2 4Å; K168-F186 HydrophobicContact CB-CE2 3.78Å; K168-F186 HydrophobicContact CB-CG 4.47Å; K168-F186 HydrophobicContact CB-CZ 4.08Å; K168-F186 HydrophobicContact CD-CE2 4.05Å; K168-F186 HydrophobicContact CD-CZ 3.98Å; K168-F186 HydrophobicContact CG-CD2 4.5Å; K168-F186 HydrophobicContact CG-CE1 4.19Å; K168-F186 HydrophobicContact CG-CE2 3.85Å; K168-F186 HydrophobicContact CG-CZ 3.67Å; Y174-F186 AromaticContact CE2-CD2 3.73Å; Y174-F186 HydrophobicContact CE2-CD2 3.73Å; Y174-F186 HydrophobicContact CE2-CE2 4.42Å; Y174-F186 AromaticContact CZ-CD2 3.94Å; Y174-F186 WeakPolarHBondContact OH-CD2 3.46Å; A182-F186 VanDerWaalsContact O-CB 3.26Å; A182-F186 WeakPolarHBondContact O-CB 3.33Å; A182-F186 PolarHBondContact O-N 3.04Å; M183-F186 PolarHBondContact O-N 2.85Å; F186-R189 WeakPolarHBondContact O-CB 3.16Å; F186-R189 PolarHBondContact O-N 3.38Å; F186-I190 HydrophobicContact CD1-CD1 3.85Å; F186-I190 HydrophobicContact CD1-CG1 4.1Å; F186-I190 HydrophobicContact CE1-CD1 3.97Å; F186-I190 HydrophobicContact CE1-CG1 4.05Å; F186-I190 WeakPolarHBondContact O-CG1 3.14Å; F186-I190 PolarHBondContact O-N 2.96Å
187	Q	91.3	Very high	90.5	Very high	97 Å²	97	63.3 Å²	63.3	45%	0.453	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-45.5	172.9	-76.5	178	-9.9	0	0	111.7	M183 M184 D185 R189 I190 E191	M183-Q187 WeakPolarHBondContact O-CG 3.32Å; M183-Q187 PolarHBondContact O-N 3.23Å; M184-Q187 PolarHBondContact O-N 3.19Å; D185-Q187 VanDerWaalsContact C-N 3.32Å; D185-Q187 PolarHBondContact O-N 2.66Å; Q187-R189 VanDerWaalsContact C-N 3.3Å; Q187-R189 PolarHBondContact O-N 3.21Å; Q187-I190 WeakPolarHBondContact O-CB 3.09Å; Q187-I190 PolarHBondContact O-N 3.04Å; Q187-I190 VanDerWaalsContact O-N 3.14Å; Q187-E191 PolarHBondContact O-N 2.59Å; Q187-E191 VanDerWaalsContact O-N 3.14Å
188	K	93.1	Very high	91.1	Very high	99 Å²	99	64.2 Å²	64.2	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-63.7	-36.7	174.9	-66.5	179.6	-176.7	178.7	0	112.1	Y84 M184 D185 I190 E191 C192	Y84-K188 HydrophobicContact CD1-CB 3.93Å; Y84-K188 HydrophobicContact CD1-CD 3.82Å; Y84-K188 HydrophobicContact CD2-CB 3.58Å; Y84-K188 HydrophobicContact CD2-CD 4.44Å; Y84-K188 HydrophobicContact CE1-CB 4.29Å; Y84-K188 HydrophobicContact CE1-CD 3.48Å; Y84-K188 VanDerWaalsContact CE1-CD 3.48Å; Y84-K188 HydrophobicContact CE2-CB 3.91Å; Y84-K188 HydrophobicContact CE2-CD 4.1Å; Y84-K188 HydrophobicContact CG-CB 3.59Å; Y84-K188 HydrophobicContact CG-CD 4.31Å; M184-K188 WeakPolarHBondContact O-CG 3.48Å; M184-K188 PolarHBondContact O-N 2.81Å; M184-K188 VanDerWaalsContact O-N 3.16Å; D185-K188 PolarHBondContact O-N 3.28Å; K188-I190 VanDerWaalsContact C-N 3.34Å; K188-I190 PolarHBondContact O-N 3.04Å; K188-E191 WeakPolarHBondContact O-CB 3.36Å; K188-E191 PolarHBondContact O-N 3.3Å; K188-C192 PolarHBondContact O-N 3.3Å; K188-C192 VanDerWaalsContact O-N 3.08Å; K188-C192 PolarHBondContact O-SG 2.93Å
189	R	93.3	Very high	91.6	Very high	30 Å²	30	63.4 Å²	63.4	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-41.5	172	175.3	179.8	178.9	174.9	3	111.8	F87 D173 D185 F186 Q187 E191 C192 Y193	F87-R189 HydrophobicContact CB-CG 4.33Å; F87-R189 HydrophobicContact CD2-CB 4.32Å; F87-R189 HydrophobicContact CD2-CG 3.54Å; F87-R189 VanDerWaalsContact CE2-CD 3.43Å; F87-R189 HydrophobicContact CE2-CG 4.01Å; F87-R189 HydrophobicContact CG-CG 4Å; D173-R189 IonicContact OD2-NH1 2.65Å; D185-R189 WeakPolarHBondContact O-CB 3.05Å; D185-R189 PolarHBondContact O-N 3.48Å; F186-R189 WeakPolarHBondContact O-CB 3.16Å; F186-R189 PolarHBondContact O-N 3.38Å; Q187-R189 VanDerWaalsContact C-N 3.3Å; Q187-R189 PolarHBondContact O-N 3.21Å; R189-E191 VanDerWaalsContact C-N 3.31Å; R189-C192 WeakPolarHBondContact O-CB 3.28Å; R189-C192 PolarHBondContact O-N 3.22Å; R189-Y193 HydrophobicContact CG-CE2 4.21Å; R189-Y193 VanDerWaalsContact O-CD2 3.27Å; R189-Y193 WeakPolarHBondContact O-CD2 3.21Å
190	I	92.6	Very high	92.1	Very high	8 Å²	8	56.7 Å²	56.7	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-43.6	175	-70.3	164.9	0	0	0	110.3	P43 A44 I160 I164 F186 Q187 K188 C192 Y193 R194	P43-I190 HydrophobicContact CB-CG1 3.93Å; P43-I190 HydrophobicContact CG-CG1 4.29Å; A44-I190 HydrophobicContact CB-CD1 4.29Å; I160-I190 HydrophobicContact CG2-CD1 4.23Å; I164-I190 HydrophobicContact CD1-CD1 4.01Å; F186-I190 HydrophobicContact CD1-CD1 3.85Å; F186-I190 HydrophobicContact CD1-CG1 4.1Å; F186-I190 HydrophobicContact CE1-CD1 3.97Å; F186-I190 HydrophobicContact CE1-CG1 4.05Å; F186-I190 WeakPolarHBondContact O-CG1 3.14Å; F186-I190 PolarHBondContact O-N 2.96Å; Q187-I190 WeakPolarHBondContact O-CB 3.09Å; Q187-I190 PolarHBondContact O-N 3.04Å; Q187-I190 VanDerWaalsContact O-N 3.14Å; K188-I190 VanDerWaalsContact C-N 3.34Å; K188-I190 PolarHBondContact O-N 3.04Å; I190-C192 VanDerWaalsContact C-N 3.3Å; I190-C192 PolarHBondContact O-N 3.38Å; I190-Y193 PolarHBondContact O-N 2.92Å; I190-Y193 VanDerWaalsContact O-N 3.08Å; I190-R194 PolarHBondContact O-N 3.28Å
191	E	93	Very high	92.6	Very high	88 Å²	88	53.5 Å²	53.5	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-39.7	178.9	-167.1	55.1	-137.2	0	0	112.2	Q187 K188 R189 Y193 R194 T195	Q187-E191 PolarHBondContact O-N 2.59Å; Q187-E191 VanDerWaalsContact O-N 3.14Å; K188-E191 WeakPolarHBondContact O-CB 3.36Å; K188-E191 PolarHBondContact O-N 3.3Å; R189-E191 VanDerWaalsContact C-N 3.31Å; E191-Y193 PolarHBondContact O-N 2.84Å; E191-R194 WeakPolarHBondContact O-CB 3.49Å; E191-R194 PolarHBondContact O-N 2.91Å; E191-R194 IonicContact OE2-CZ 3.93Å; E191-R194 IonicContact OE2-NH1 3.7Å; E191-R194 PolarHBondContact OE2-NH1 3.05Å; E191-T195 PolarHBondContact O-N 3.47Å
192	C	92.8	Very high	92.9	Very high	15 Å²	15	49.1 Å²	49.1	10%	0.101	24%	0.243	C	C	.	.	H	α-helix	trans	-57.6	-33.7	175.6	-63.3	0	0	0	0	113.4	F87 K188 R189 I190 T195	F87-C192 HydrophobicContact CB-CB 4.25Å; K188-C192 PolarHBondContact O-N 3.3Å; K188-C192 VanDerWaalsContact O-N 3.08Å; K188-C192 PolarHBondContact O-SG 2.93Å; R189-C192 WeakPolarHBondContact O-CB 3.28Å; R189-C192 PolarHBondContact O-N 3.22Å; I190-C192 VanDerWaalsContact C-N 3.3Å; I190-C192 PolarHBondContact O-N 3.38Å; C192-T195 PolarHBondContact O-OG1 3.49Å; C192-T195 VanDerWaalsContact O-OG1 3.1Å
193	Y	92.6	Very high	93.2	Very high	20 Å²	20	55.5 Å²	55.5	8%	0.078	28%	0.277	C	S	.	.	H	α-helix	trans	-84.5	-27.1	176.1	-74.5	-81.7	0	0	0	112.6	P43 F87 R98 T126 R189 I190 E191 T195 S196 Y197	P43-Y193 HydrophobicContact CG-CD2 3.64Å; P43-Y193 HydrophobicContact CG-CE2 4.07Å; P43-Y193 HydrophobicContact CG-CG 4.27Å; F87-Y193 HydrophobicContact CB-CE2 4.06Å; F87-Y193 AromaticContact CD1-CE2 3.93Å; F87-Y193 HydrophobicContact CD1-CE2 3.93Å; F87-Y193 AromaticContact CD1-CZ 3.87Å; F87-Y193 WeakPolarHBondContact CD1-OH 3.38Å; F87-Y193 WeakPolarHBondContact CE1-OH 3.37Å; F87-Y193 HydrophobicContact CG-CE2 4.08Å; R98-Y193 PolarHBondContact NH1-OH 3.49Å; R98-Y193 VanDerWaalsContact NH1-OH 3.16Å; T126-Y193 HydrophobicContact CG2-CD1 4.12Å; T126-Y193 HydrophobicContact CG2-CE1 3.95Å; T126-Y193 WeakPolarHBondContact OG1-CE1 3.46Å; R189-Y193 HydrophobicContact CG-CE2 4.21Å; R189-Y193 VanDerWaalsContact O-CD2 3.27Å; R189-Y193 WeakPolarHBondContact O-CD2 3.21Å; I190-Y193 PolarHBondContact O-N 2.92Å; I190-Y193 VanDerWaalsContact O-N 3.08Å; E191-Y193 PolarHBondContact O-N 2.84Å; Y193-T195 VanDerWaalsContact C-N 3.33Å; Y193-T195 PolarHBondContact O-N 3Å; Y193-S196 PolarHBondContact O-N 3.3Å; Y193-Y197 WeakPolarHBondContact O-CB 3.33Å; Y193-Y197 PolarHBondContact O-N 3.4Å; Y193-Y197 VanDerWaalsContact O-N 3.17Å
194	R	93.1	Very high	93.5	Very high	114 Å²	114	60.3 Å²	60.3	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-63.3	-39.3	-178.6	-178.1	177.1	-79.9	135.4	-9.1	111.6	I190 E191 S196 Y197	I190-R194 PolarHBondContact O-N 3.28Å; E191-R194 WeakPolarHBondContact O-CB 3.49Å; E191-R194 PolarHBondContact O-N 2.91Å; E191-R194 IonicContact OE2-CZ 3.93Å; E191-R194 IonicContact OE2-NH1 3.7Å; E191-R194 PolarHBondContact OE2-NH1 3.05Å; R194-S196 PolarHBondContact O-N 2.88Å; R194-Y197 PolarHBondContact O-N 2.96Å
195	T	91.2	Very high	93.8	Very high	97 Å²	97	59.8 Å²	59.8	60%	0.595	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.3	-179.1	56.4	0	0	0	0	114.4	E191 C192 Y193	E191-T195 PolarHBondContact O-N 3.47Å; C192-T195 PolarHBondContact O-OG1 3.49Å; C192-T195 VanDerWaalsContact O-OG1 3.1Å; Y193-T195 VanDerWaalsContact C-N 3.33Å; Y193-T195 PolarHBondContact O-N 3Å
196	S	91.3	Very high	94.1	Very high	44 Å²	44	58.7 Å²	58.7	31%	0.308	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	8.6	-177.2	53.9	0	0	0	0	113.1	Y193 R194 Q198	Y193-S196 PolarHBondContact O-N 3.3Å; R194-S196 PolarHBondContact O-N 2.88Å; S196-Q198 PolarHBondContact O-N 3.02Å
197	Y	96.4	Very high	94.4	Very high	46 Å²	46	65.8 Å²	65.8	18%	0.18	31%	0.313	C	S	.	.			trans	-75.9	119.6	-176.4	178.7	-145.7	0	0	0	111.3	L42 T128 E151 Y193 R194 P199	L42-Y197 HydrophobicContact CD1-CD1 4.07Å; L42-Y197 HydrophobicContact CD1-CE1 4.38Å; L42-Y197 HydrophobicContact CD2-CD1 4.01Å; L42-Y197 HydrophobicContact CD2-CG 4.03Å; L42-Y197 HydrophobicContact CG-CD1 3.86Å; L42-Y197 HydrophobicContact CG-CE1 4.13Å; L42-Y197 HydrophobicContact CG-CG 4.33Å; T128-Y197 HydrophobicContact CG2-CD2 3.59Å; T128-Y197 HydrophobicContact CG2-CE2 4.09Å; T128-Y197 HydrophobicContact CG2-CG 4.22Å; E151-Y197 PolarHBondContact OE1-OH 3.45Å; Y193-Y197 WeakPolarHBondContact O-CB 3.33Å; Y193-Y197 PolarHBondContact O-N 3.4Å; Y193-Y197 VanDerWaalsContact O-N 3.17Å; R194-Y197 PolarHBondContact O-N 2.96Å; Y197-P199 HydrophobicContact CD1-CG 4.25Å; Y197-P199 HydrophobicContact CE1-CG 3.83Å; Y197-P199 HydrophobicContact CE2-CB 4.27Å; Y197-P199 HydrophobicContact CE2-CG 4.13Å
198	Q	97.3	Very high	94.6	Very high	74 Å²	74	65.4 Å²	65.4	35%	0.346	31%	0.314	S	S	.	.			trans	-114.3	96	173.2	-64.5	168.1	-41.6	0	0	107.7	T128 R130 R133 S196	T128-Q198 PolarHBondContact O-N 2.69Å; R130-Q198 HydrophobicContact CG-CB 4.16Å; R133-Q198 PolarHBondContact NH1-O 2.57Å; R133-Q198 PolarHBondContact NH2-O 2.91Å; S196-Q198 PolarHBondContact O-N 3.02Å
199	P	97.4	Very high	94.8	Very high	60 Å²	60	62.8 Å²	62.8	39%	0.39	30%	0.303	S	S	.	.			trans	-54.9	159.9	177.7	-21.9	31.3	0	0	0	111.8	E151 Y197	E151-P199 VanDerWaalsContact OE1-CA 3.29Å; E151-P199 WeakPolarHBondContact OE1-CA 3.21Å; Y197-P199 HydrophobicContact CD1-CG 4.25Å; Y197-P199 HydrophobicContact CE1-CG 3.83Å; Y197-P199 HydrophobicContact CE2-CB 4.27Å; Y197-P199 HydrophobicContact CE2-CG 4.13Å
200	L	97.8	Very high	95.1	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.016	30%	0.299	C	S	.	.			trans	-60.5	145	170.3	-66.4	170	0	0	0	109.2	F149 E151 D206 F211 K213	F149-L200 HydrophobicContact CB-CD1 3.8Å; F149-L200 HydrophobicContact CG-CD1 4.47Å; F149-L200 HydrophobicContact CG-CD2 4.46Å; E151-L200 HydrophobicContact CB-CD1 3.77Å; E151-L200 HydrophobicContact CB-CG 4.44Å; E151-L200 PolarHBondContact OE1-N 3.25Å; E151-L200 WeakPolarHBondContact OE2-CB 3.47Å; E151-L200 PolarHBondContact OE2-N 3.35Å; L200-D206 WeakPolarHBondContact CA-OD2 3.38Å; L200-D206 HydrophobicContact CD2-CB 4.29Å; L200-D206 WeakPolarHBondContact CD2-OD1 3.46Å; L200-F211 HydrophobicContact CB-CE2 4.32Å; L200-F211 HydrophobicContact CB-CZ 4.36Å; L200-F211 HydrophobicContact CD1-CB 3.88Å; L200-F211 HydrophobicContact CD1-CD1 4.42Å; L200-F211 HydrophobicContact CD1-CD2 3.85Å; L200-F211 HydrophobicContact CD1-CE2 4.43Å; L200-F211 HydrophobicContact CD1-CG 3.83Å; L200-K213 WeakPolarHBondContact O-CE 3.48Å; L200-K213 PolarHBondContact O-NZ 3.37Å
201	D	96.4	Very high	95.4	Very high	32 Å²	32	61.2 Å²	61.2	17%	0.171	30%	0.297	C	S	.	.			trans	-126.3	95.3	-176.4	-177.2	-3.7	0	0	0	110.2	R130 D203 Q204 D206	R130-D201 IonicContact NH2-OD2 3.48Å; D201-D203 PolarHBondContact O-N 3.42Å; D201-D203 PolarHBondContact OD1-N 3.37Å; D201-Q204 PolarHBondContact OD1-N 2.97Å; D201-Q204 WeakPolarHBondContact OD2-CB 2.83Å; D201-D206 PolarHBondContact N-OD2 3.01Å; D201-D206 CarbonylContact O-C 3.49Å; D201-D206 VanDerWaalsContact O-CA 3.32Å; D201-D206 WeakPolarHBondContact O-CA 3.01Å; D201-D206 WeakPolarHBondContact O-CB 3.27Å; D201-D206 PolarHBondContact O-N 2.84Å
202	P	94.4	Very high	95.6	Very high	18 Å²	18	57 Å²	57	12%	0.117	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.2	-177.8	22.2	-30.1	0	0	0	113.7	R207 F211 L222	P202-R207 VanDerWaalsContact O-CA 3.26Å; P202-R207 WeakPolarHBondContact O-CA 3.34Å; P202-R207 WeakPolarHBondContact O-CB 3.41Å; P202-R207 WeakPolarHBondContact O-CG 3.43Å; P202-F211 HydrophobicContact CB-CZ 3.71Å; P202-F211 HydrophobicContact CG-CZ 4.32Å; P202-L222 HydrophobicContact CB-CD2 3.96Å; P202-L222 HydrophobicContact CG-CD1 3.9Å; P202-L222 HydrophobicContact CG-CD2 3.99Å
203	D	94.5	Very high	95.9	Very high	134 Å²	134	57.6 Å²	57.6	72%	0.717	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-22.1	-168.2	-59.6	-46	0	0	0	111.6	D201	D201-D203 PolarHBondContact O-N 3.42Å; D201-D203 PolarHBondContact OD1-N 3.37Å
204	Q	94.8	Very high	96.1	Very high	153 Å²	153	57.1 Å²	57.1	72%	0.715	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.8	-92.5	-179.4	-46.9	179.5	10.5	0	0	111.8	D201 D206 R207	D201-Q204 PolarHBondContact OD1-N 2.97Å; D201-Q204 WeakPolarHBondContact OD2-CB 2.83Å; Q204-D206 PolarHBondContact O-N 2.95Å; Q204-R207 WeakPolarHBondContact O-CB 3.46Å; Q204-R207 PolarHBondContact O-N 3.29Å
205	Y	95.1	Very high	96.1	Very high	94 Å²	94	52.6 Å²	52.6	37%	0.369	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-43	-164.8	-170.2	-92.1	0	0	0	113.4	R130 D134	R130-Y205 HydrophobicContact CB-CE1 4.07Å; R130-Y205 HydrophobicContact CG-CD1 4.05Å; R130-Y205 HydrophobicContact CG-CE1 3.84Å; D134-Y205 PolarHBondContact OD1-OH 2.99Å; D134-Y205 PolarHBondContact OD2-OH 3.25Å
206	D	97.1	Very high	96	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	14.9	-173.5	-55.8	-84.8	0	0	0	112.3	R133 L200 D201 Q204 D208 H209 F211	R133-D206 IonicContact NE-OD1 2.67Å; R133-D206 IonicContact NH2-OD1 3.83Å; R133-D206 IonicContact NH2-OD2 3.79Å; L200-D206 WeakPolarHBondContact CA-OD2 3.38Å; L200-D206 HydrophobicContact CD2-CB 4.29Å; L200-D206 WeakPolarHBondContact CD2-OD1 3.46Å; D201-D206 PolarHBondContact N-OD2 3.01Å; D201-D206 CarbonylContact O-C 3.49Å; D201-D206 VanDerWaalsContact O-CA 3.32Å; D201-D206 WeakPolarHBondContact O-CA 3.01Å; D201-D206 WeakPolarHBondContact O-CB 3.27Å; D201-D206 PolarHBondContact O-N 2.84Å; Q204-D206 PolarHBondContact O-N 2.95Å; D206-D208 PolarHBondContact O-N 3.39Å; D206-D208 VanDerWaalsContact O-N 3.14Å; D206-H209 HydrophobicContact CB-CB 4.49Å; D206-H209 WeakPolarHBondContact O-CB 3.41Å; D206-H209 PolarHBondContact O-N 3.21Å; D206-H209 IonicContact OD1-CD2 3.66Å; D206-H209 PolarHBondContact OD1-CD2 3.28Å; D206-F211 HydrophobicContact CB-CE1 4.1Å
207	R	96.6	Very high	95.8	Very high	154 Å²	154	51 Å²	51	58%	0.581	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.7	-175.7	-172.9	-174.6	108.4	170.4	5.2	113.4	P202 Q204 N224 R225	P202-R207 VanDerWaalsContact O-CA 3.26Å; P202-R207 WeakPolarHBondContact O-CA 3.34Å; P202-R207 WeakPolarHBondContact O-CB 3.41Å; P202-R207 WeakPolarHBondContact O-CG 3.43Å; Q204-R207 WeakPolarHBondContact O-CB 3.46Å; Q204-R207 PolarHBondContact O-N 3.29Å; R207-N224 PolarHBondContact O-ND2 2.68Å; R207-R225 WeakPolarHBondContact O-CD 3.29Å
208	D	96.6	Very high	95.5	Very high	89 Å²	89	49.9 Å²	49.9	48%	0.476	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.2	-175.9	-68.9	-50.8	0	0	0	113.9	D206 R225	D206-D208 PolarHBondContact O-N 3.39Å; D206-D208 VanDerWaalsContact O-N 3.14Å; D208-R225 PolarHBondContact O-NH1 3.14Å; D208-R225 IonicContact OD1-CZ 2.77Å; D208-R225 IonicContact OD1-NH1 3.62Å; D208-R225 PolarHBondContact OD1-NH1 2.94Å; D208-R225 IonicContact OD1-NH2 3.89Å
209	H	97.4	Very high	95.1	Very high	45 Å²	45	55.5 Å²	55.5	21%	0.208	27%	0.269	C	S	.	.	S	Bend	trans	-93.9	148.6	-177.3	-59.5	-30.4	0	0	0	113.1	L137 F149 D206 F211 N224	L137-H209 WeakPolarHBondContact CD1-NE2 3.36Å; F149-H209 HydrophobicContact CD2-CB 4.46Å; F149-H209 HydrophobicContact CE2-CB 4.25Å; D206-H209 HydrophobicContact CB-CB 4.49Å; D206-H209 WeakPolarHBondContact O-CB 3.41Å; D206-H209 PolarHBondContact O-N 3.21Å; D206-H209 IonicContact OD1-CD2 3.66Å; D206-H209 PolarHBondContact OD1-CD2 3.28Å; H209-F211 HydrophobicContact CB-CD1 4.38Å; H209-F211 WeakPolarHBondContact O-CD1 3.45Å; H209-N224 PolarHBondContact O-ND2 3.49Å
210	S	98.3	Very high	95	Very high	4 Å²	4	60 Å²	60	3%	0.028	28%	0.278	C	S	.	.			trans	-88.2	118.4	179.1	-45.5	0	0	0	0	109.3	F148 F149 N224 R225 Q227	F148-S210 WeakPolarHBondContact CA-O 3.49Å; F148-S210 WeakPolarHBondContact CD2-O 3.32Å; F149-S210 PolarHBondContact N-O 3.48Å; S210-N224 WeakPolarHBondContact CA-O 3.49Å; S210-R225 VanDerWaalsContact CB-O 3.3Å; S210-R225 WeakPolarHBondContact CB-O 3.48Å; S210-R225 PolarHBondContact OG-O 3.04Å; S210-Q227 VanDerWaalsContact OG-CG 3.24Å; S210-Q227 WeakPolarHBondContact OG-CG 3.08Å; S210-Q227 PolarHBondContact OG-NE2 2.6Å
211	F	98.5	Very high	95	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.6	-178.9	67.8	-97.6	0	0	0	114.6	F149 L200 P202 D206 H209 K213 L222 N224	F149-F211 HydrophobicContact CB-CB 3.69Å; F149-F211 HydrophobicContact CD2-CB 4.45Å; F149-F211 CarbonylContact O-C 3.59Å; F149-F211 WeakPolarHBondContact O-CA 3.05Å; F149-F211 WeakPolarHBondContact O-CB 3.37Å; L200-F211 HydrophobicContact CB-CE2 4.32Å; L200-F211 HydrophobicContact CB-CZ 4.36Å; L200-F211 HydrophobicContact CD1-CB 3.88Å; L200-F211 HydrophobicContact CD1-CD1 4.42Å; L200-F211 HydrophobicContact CD1-CD2 3.85Å; L200-F211 HydrophobicContact CD1-CE2 4.43Å; L200-F211 HydrophobicContact CD1-CG 3.83Å; P202-F211 HydrophobicContact CB-CZ 3.71Å; P202-F211 HydrophobicContact CG-CZ 4.32Å; D206-F211 HydrophobicContact CB-CE1 4.1Å; H209-F211 HydrophobicContact CB-CD1 4.38Å; H209-F211 WeakPolarHBondContact O-CD1 3.45Å; F211-K213 HydrophobicContact CD2-CG 3.98Å; F211-K213 HydrophobicContact CE2-CD 4.21Å; F211-K213 HydrophobicContact CE2-CG 3.81Å; F211-L222 HydrophobicContact CE2-CD2 3.61Å; F211-L222 HydrophobicContact CZ-CD2 4.06Å; F211-N224 HydrophobicContact CD1-CB 3.78Å; F211-N224 HydrophobicContact CD2-CB 4.31Å; F211-N224 HydrophobicContact CE1-CB 3.52Å; F211-N224 HydrophobicContact CE2-CB 4.08Å; F211-N224 HydrophobicContact CG-CB 4.17Å; F211-N224 HydrophobicContact CZ-CB 3.71Å; F211-N224 PolarHBondContact N-O 3.46Å; F211-N224 PolarHBondContact O-N 2.95Å
212	I	98.6	Very high	95	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.9	164.4	-178.7	171.9	0	0	0	109.9	F148 F149 I150 E151 V214 F221 L222 V223 V235 L238	F148-I212 HydrophobicContact CE1-CG2 3.93Å; F148-I212 HydrophobicContact CZ-CB 4.14Å; F148-I212 HydrophobicContact CZ-CG2 3.67Å; F149-I212 PolarHBondContact O-N 2.85Å; I150-I212 WeakPolarHBondContact CA-O 3.29Å; I150-I212 HydrophobicContact CB-CG2 4.27Å; I150-I212 HydrophobicContact CG1-CG2 3.82Å; I150-I212 HydrophobicContact CG2-CG2 4.19Å; E151-I212 PolarHBondContact N-O 2.92Å; I212-V214 HydrophobicContact CG1-CG2 4.42Å; I212-F221 HydrophobicContact CD1-CD1 3.8Å; I212-F221 HydrophobicContact CG1-CD1 4.31Å; I212-L222 CarbonylContact C-O 3.6Å; I212-L222 VanDerWaalsContact CA-O 3.3Å; I212-L222 WeakPolarHBondContact CA-O 3.41Å; I212-V223 HydrophobicContact CB-CG2 4.47Å; I212-V223 HydrophobicContact CD1-CG2 4.08Å; I212-V223 HydrophobicContact CG1-CG2 4Å; I212-V235 HydrophobicContact CB-CG2 4.46Å; I212-V235 HydrophobicContact CD1-CB 4.42Å; I212-V235 HydrophobicContact CD1-CG1 4.14Å; I212-V235 HydrophobicContact CD1-CG2 4.18Å; I212-L238 HydrophobicContact CD1-CB 4.3Å; I212-L238 HydrophobicContact CD1-CD1 4.05Å; I212-L238 HydrophobicContact CG2-CD1 3.74Å
213	K	98	Very high	95.2	Very high	28 Å²	28	65.5 Å²	65.5	12%	0.122	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123	164.9	-58.9	-177	174	-177.5	0	109.2	E151 L200 F211 I215 F221 L222	E151-K213 HydrophobicContact CB-CG 4.19Å; E151-K213 CarbonylContact O-C 3.58Å; E151-K213 WeakPolarHBondContact O-CA 3.46Å; E151-K213 WeakPolarHBondContact OE2-CD 3.24Å; E151-K213 WeakPolarHBondContact OE2-CE 3.23Å; E151-K213 WeakPolarHBondContact OE2-CG 3.17Å; E151-K213 IonicContact OE2-NZ 3.48Å; L200-K213 WeakPolarHBondContact O-CE 3.48Å; L200-K213 PolarHBondContact O-NZ 3.37Å; F211-K213 HydrophobicContact CD2-CG 3.98Å; F211-K213 HydrophobicContact CE2-CD 4.21Å; F211-K213 HydrophobicContact CE2-CG 3.81Å; K213-I215 HydrophobicContact CB-CG1 4.25Å; K213-F221 VanDerWaalsContact O-CA 3.26Å; K213-F221 WeakPolarHBondContact O-CA 3.43Å; K213-L222 HydrophobicContact CB-CB 4.14Å; K213-L222 HydrophobicContact CD-CB 4.36Å; K213-L222 HydrophobicContact CG-CB 4.46Å; K213-L222 PolarHBondContact N-O 3.29Å; K213-L222 PolarHBondContact O-N 3.42Å
214	V	96.6	Very high	95.4	Very high	10 Å²	10	60.6 Å²	60.6	6%	0.061	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.4	171.4	-176.3	0	0	0	0	107.4	I150 E151 V153 I212 F221	I150-V214 HydrophobicContact CG2-CG2 4.45Å; E151-V214 PolarHBondContact O-N 3.29Å; V153-V214 PolarHBondContact N-O 3.1Å; I212-V214 HydrophobicContact CG1-CG2 4.42Å; V214-F221 HydrophobicContact CB-CD1 4.41Å; V214-F221 HydrophobicContact CB-CE1 4.29Å; V214-F221 HydrophobicContact CG1-CD1 4.37Å; V214-F221 HydrophobicContact CG1-CE1 3.82Å; V214-F221 HydrophobicContact CG2-CD1 4.07Å; V214-F221 HydrophobicContact CG2-CE1 3.97Å
215	I	94.5	Very high	95.5	Very high	18 Å²	18	60 Å²	60	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.6	-172.4	-54.3	172.5	0	0	0	109.2	V153 K213 V217 G218 R219 R220	V153-I215 CarbonylContact O-C 3.54Å; V153-I215 WeakPolarHBondContact O-CA 3.31Å; K213-I215 HydrophobicContact CB-CG1 4.25Å; I215-V217 PolarHBondContact O-N 3.31Å; I215-G218 PolarHBondContact O-N 3.41Å; I215-R219 PolarHBondContact O-N 3.36Å; I215-R219 VanDerWaalsContact O-N 3.12Å; I215-R220 HydrophobicContact CB-CB 4.25Å; I215-R220 WeakPolarHBondContact CB-O 3.32Å; I215-R220 PolarHBondContact N-O 3.43Å; I215-R220 PolarHBondContact O-N 3.39Å
216	D	89.3	Confident	95.6	Very high	53 Å²	53	58.6 Å²	58.6	28%	0.283	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	55.3	178.6	-61.3	-40	0	0	0	112.7	V153 E155 G218 R219	V153-D216 PolarHBondContact O-N 3.39Å; E155-D216 PolarHBondContact N-OD1 3.1Å; D216-G218 VanDerWaalsContact C-N 3.29Å; D216-G218 PolarHBondContact O-N 3.48Å; D216-R219 HydrophobicContact CB-CB 4.2Å; D216-R219 HydrophobicContact CB-CG 4.39Å; D216-R219 VanDerWaalsContact O-CG 3.29Å; D216-R219 WeakPolarHBondContact O-CG 3.47Å; D216-R219 PolarHBondContact O-N 3.33Å
217	V	86.3	Confident	95.5	Very high	54 Å²	54	63.6 Å²	63.6	33%	0.327	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	38.2	174.1	-158.3	0	0	0	0	112.4	V159 I215 V243	V159-V217 HydrophobicContact CB-CG2 4.45Å; V159-V217 HydrophobicContact CG1-CG2 3.6Å; V159-V217 HydrophobicContact CG2-CG2 4.13Å; I215-V217 PolarHBondContact O-N 3.31Å; V217-V243 HydrophobicContact CG1-CB 4.22Å; V217-V243 HydrophobicContact CG1-CG1 3.84Å; V217-V243 HydrophobicContact CG1-CG2 3.33Å
218	G	89	Confident	95.3	Very high	23 Å²	23	57.5 Å²	57.5	24%	0.237	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	11.6	176.3	0	0	0	0	0	114.6	I215 D216 R220 F221	I215-G218 PolarHBondContact O-N 3.41Å; D216-G218 VanDerWaalsContact C-N 3.29Å; D216-G218 PolarHBondContact O-N 3.48Å; G218-R220 VanDerWaalsContact C-N 3.29Å; G218-R220 PolarHBondContact O-N 3.18Å; G218-F221 VanDerWaalsContact CA-CZ 3.44Å; G218-F221 WeakPolarHBondContact O-CE2 3.26Å; G218-F221 WeakPolarHBondContact O-CZ 3.31Å
219	R	90.2	Very high	95.2	Very high	193 Å²	193	58.2 Å²	58.2	73%	0.728	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.2	171.1	-75.3	179.5	-178.2	174.3	3.6	112.5	I215 D216	I215-R219 PolarHBondContact O-N 3.36Å; I215-R219 VanDerWaalsContact O-N 3.12Å; D216-R219 HydrophobicContact CB-CB 4.2Å; D216-R219 HydrophobicContact CB-CG 4.39Å; D216-R219 VanDerWaalsContact O-CG 3.29Å; D216-R219 WeakPolarHBondContact O-CG 3.47Å; D216-R219 PolarHBondContact O-N 3.33Å
220	R	94.9	Very high	95	Very high	155 Å²	155	56.4 Å²	56.4	59%	0.585	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.4	178.6	-175.6	170.2	62.2	117.4	-3.5	110.5	I215 G218	I215-R220 HydrophobicContact CB-CB 4.25Å; I215-R220 WeakPolarHBondContact CB-O 3.32Å; I215-R220 PolarHBondContact N-O 3.43Å; I215-R220 PolarHBondContact O-N 3.39Å; G218-R220 VanDerWaalsContact C-N 3.29Å; G218-R220 PolarHBondContact O-N 3.18Å
221	F	96.9	Very high	94.9	Very high	51 Å²	51	56.2 Å²	56.2	22%	0.224	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.7	177.1	-57.1	-88.4	0	0	0	110.1	I212 K213 V214 G218 L238 M239	I212-F221 HydrophobicContact CD1-CD1 3.8Å; I212-F221 HydrophobicContact CG1-CD1 4.31Å; K213-F221 VanDerWaalsContact O-CA 3.26Å; K213-F221 WeakPolarHBondContact O-CA 3.43Å; V214-F221 HydrophobicContact CB-CD1 4.41Å; V214-F221 HydrophobicContact CB-CE1 4.29Å; V214-F221 HydrophobicContact CG1-CD1 4.37Å; V214-F221 HydrophobicContact CG1-CE1 3.82Å; V214-F221 HydrophobicContact CG2-CD1 4.07Å; V214-F221 HydrophobicContact CG2-CE1 3.97Å; G218-F221 VanDerWaalsContact CA-CZ 3.44Å; G218-F221 WeakPolarHBondContact O-CE2 3.26Å; G218-F221 WeakPolarHBondContact O-CZ 3.31Å; F221-L238 WeakPolarHBondContact CZ-O 3.38Å; F221-M239 HydrophobicContact CD1-CG 4.34Å; F221-M239 HydrophobicContact CD2-CG 3.98Å; F221-M239 HydrophobicContact CE1-CG 4.34Å; F221-M239 HydrophobicContact CE2-CB 4.34Å; F221-M239 HydrophobicContact CE2-CG 4.01Å; F221-M239 HydrophobicContact CG-CG 4.15Å; F221-M239 HydrophobicContact CZ-CB 4.41Å; F221-M239 HydrophobicContact CZ-CG 4.19Å
222	L	97.8	Very high	94.9	Very high	53 Å²	53	59.4 Å²	59.4	28%	0.277	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.9	164.7	-169.9	154.9	0	0	0	107.3	P202 F211 I212 K213	P202-L222 HydrophobicContact CB-CD2 3.96Å; P202-L222 HydrophobicContact CG-CD1 3.9Å; P202-L222 HydrophobicContact CG-CD2 3.99Å; F211-L222 HydrophobicContact CE2-CD2 3.61Å; F211-L222 HydrophobicContact CZ-CD2 4.06Å; I212-L222 CarbonylContact C-O 3.6Å; I212-L222 VanDerWaalsContact CA-O 3.3Å; I212-L222 WeakPolarHBondContact CA-O 3.41Å; K213-L222 HydrophobicContact CB-CB 4.14Å; K213-L222 HydrophobicContact CD-CB 4.36Å; K213-L222 HydrophobicContact CG-CB 4.46Å; K213-L222 PolarHBondContact N-O 3.29Å; K213-L222 PolarHBondContact O-N 3.42Å
223	V	98.4	Very high	94.7	Very high	64 Å²	64	62.2 Å²	62.2	39%	0.388	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.3	-176.3	-175.8	0	0	0	0	108.6	I212 I226 V235	I212-V223 HydrophobicContact CB-CG2 4.47Å; I212-V223 HydrophobicContact CD1-CG2 4.08Å; I212-V223 HydrophobicContact CG1-CG2 4Å; V223-I226 HydrophobicContact CG1-CD1 3.56Å; V223-I226 HydrophobicContact CG1-CG1 3.51Å; V223-V235 HydrophobicContact CG1-CG1 4.44Å; V223-V235 HydrophobicContact CG1-CG2 4.05Å; V223-V235 HydrophobicContact CG2-CG1 3.9Å
224	N	98.4	Very high	94.7	Very high	30 Å²	30	60.9 Å²	60.9	16%	0.16	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.3	-179.5	-167.1	48	0	0	0	111.5	R207 H209 S210 F211 I226	R207-N224 PolarHBondContact O-ND2 2.68Å; H209-N224 PolarHBondContact O-ND2 3.49Å; S210-N224 WeakPolarHBondContact CA-O 3.49Å; F211-N224 HydrophobicContact CD1-CB 3.78Å; F211-N224 HydrophobicContact CD2-CB 4.31Å; F211-N224 HydrophobicContact CE1-CB 3.52Å; F211-N224 HydrophobicContact CE2-CB 4.08Å; F211-N224 HydrophobicContact CG-CB 4.17Å; F211-N224 HydrophobicContact CZ-CB 3.71Å; F211-N224 PolarHBondContact N-O 3.46Å; F211-N224 PolarHBondContact O-N 2.95Å; N224-I226 PolarHBondContact O-N 3.32Å
225	R	96.9	Very high	94.8	Very high	141 Å²	141	61.1 Å²	61.1	53%	0.532	29%	0.292	S	S	.	.			trans	41.3	63.9	172.2	-57.2	-168.1	96.6	174.4	21.1	116.1	R207 D208 S210 Q227	R207-R225 WeakPolarHBondContact O-CD 3.29Å; D208-R225 PolarHBondContact O-NH1 3.14Å; D208-R225 IonicContact OD1-CZ 2.77Å; D208-R225 IonicContact OD1-NH1 3.62Å; D208-R225 PolarHBondContact OD1-NH1 2.94Å; D208-R225 IonicContact OD1-NH2 3.89Å; S210-R225 VanDerWaalsContact CB-O 3.3Å; S210-R225 WeakPolarHBondContact CB-O 3.48Å; S210-R225 PolarHBondContact OG-O 3.04Å; R225-Q227 PolarHBondContact O-N 2.88Å
226	I	97.3	Very high	94.9	Very high	64 Å²	64	65.8 Å²	65.8	33%	0.328	31%	0.309	S	S	.	.			trans	-65.4	123.7	172.1	-59.1	-57	0	0	0	110.7	F148 V223 N224 Q231 V235	F148-I226 HydrophobicContact CE2-CD1 3.61Å; F148-I226 HydrophobicContact CZ-CD1 4.05Å; V223-I226 HydrophobicContact CG1-CD1 3.56Å; V223-I226 HydrophobicContact CG1-CG1 3.51Å; N224-I226 PolarHBondContact O-N 3.32Å; I226-Q231 HydrophobicContact CD1-CB 4.25Å; I226-Q231 HydrophobicContact CG2-CB 3.81Å; I226-V235 HydrophobicContact CD1-CG2 3.63Å; I226-V235 HydrophobicContact CG1-CG2 4.35Å
227	Q	94.4	Very high	95.3	Very high	106 Å²	106	63.3 Å²	63.3	50%	0.495	30%	0.296	S	S	.	.			trans	-96.1	-26.5	-171.6	-64	178.6	-29.6	0	0	114.1	S210 R225	S210-Q227 VanDerWaalsContact OG-CG 3.24Å; S210-Q227 WeakPolarHBondContact OG-CG 3.08Å; S210-Q227 PolarHBondContact OG-NE2 2.6Å; R225-Q227 PolarHBondContact O-N 2.88Å
228	D	93.6	Very high	95.7	Very high	27 Å²	27	60.9 Å²	60.9	14%	0.144	28%	0.281	C	S	.	.	S	Bend	trans	-155.1	177.4	-174.9	63.4	42.5	0	0	0	114	K146 I230 Q231 S232	K146-D228 VanDerWaalsContact CD-OD2 3.27Å; K146-D228 WeakPolarHBondContact CD-OD2 3.44Å; K146-D228 IonicContact NZ-OD2 3.21Å; K146-D228 PolarHBondContact NZ-OD2 2.57Å; D228-I230 VanDerWaalsContact C-N 3.31Å; D228-I230 PolarHBondContact O-N 3.14Å; D228-I230 WeakPolarHBondContact OD1-CB 3.04Å; D228-I230 PolarHBondContact OD1-N 2.98Å; D228-Q231 PolarHBondContact O-N 2.88Å; D228-Q231 WeakPolarHBondContact OD1-CG 3.41Å; D228-Q231 PolarHBondContact OD1-N 3.01Å; D228-S232 PolarHBondContact O-N 2.92Å
229	H	93.3	Very high	96	Very high	103 Å²	103	64.8 Å²	64.8	48%	0.477	29%	0.294	S	S	.	.	H	α-helix	trans	-65.5	-30	-178.3	82.1	-85.9	0	0	0	113.4	S232 K233	H229-S232 PolarHBondContact O-N 2.92Å; H229-K233 WeakPolarHBondContact O-CB 3.5Å; H229-K233 PolarHBondContact O-N 2.61Å
230	I	93.9	Very high	96.2	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-69.9	-47.8	179.9	-60.6	-179.4	0	0	0	108.3	I63 V120 D228 S232 K233 I234	I63-I230 HydrophobicContact CD1-CG1 4.45Å; V120-I230 HydrophobicContact CG2-CG2 4.13Å; D228-I230 VanDerWaalsContact C-N 3.31Å; D228-I230 PolarHBondContact O-N 3.14Å; D228-I230 WeakPolarHBondContact OD1-CB 3.04Å; D228-I230 PolarHBondContact OD1-N 2.98Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3.22Å; I230-K233 PolarHBondContact O-N 3.44Å; I230-I234 HydrophobicContact CG2-CD1 3.87Å; I230-I234 HydrophobicContact CG2-CG1 4.47Å; I230-I234 WeakPolarHBondContact O-CD1 3.23Å; I230-I234 VanDerWaalsContact O-CG1 3.24Å; I230-I234 WeakPolarHBondContact O-CG1 3.49Å; I230-I234 PolarHBondContact O-N 3.34Å
231	Q	97.1	Very high	96	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-42.1	174.6	-66.9	179.4	10.2	0	0	111.5	F148 I226 D228 K233 I234 V235	F148-Q231 HydrophobicContact CB-CG 4.18Å; F148-Q231 HydrophobicContact CD1-CG 4.44Å; F148-Q231 HydrophobicContact CD2-CB 4.33Å; F148-Q231 HydrophobicContact CD2-CG 3.88Å; F148-Q231 HydrophobicContact CE2-CB 4.36Å; F148-Q231 HydrophobicContact CE2-CG 4.4Å; F148-Q231 HydrophobicContact CG-CG 3.91Å; I226-Q231 HydrophobicContact CD1-CB 4.25Å; I226-Q231 HydrophobicContact CG2-CB 3.81Å; D228-Q231 PolarHBondContact O-N 2.88Å; D228-Q231 WeakPolarHBondContact OD1-CG 3.41Å; D228-Q231 PolarHBondContact OD1-N 3.01Å; Q231-K233 PolarHBondContact O-N 3.14Å; Q231-I234 PolarHBondContact O-N 3.43Å; Q231-V235 WeakPolarHBondContact O-CG2 3.28Å; Q231-V235 PolarHBondContact O-N 2.85Å
232	S	97.1	Very high	95.4	Very high	67 Å²	67	49.5 Å²	49.5	47%	0.469	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-42	174.9	-168.7	0	0	0	0	112.8	D228 H229 I230 V235 Y236	D228-S232 PolarHBondContact O-N 2.92Å; H229-S232 PolarHBondContact O-N 2.92Å; I230-S232 VanDerWaalsContact C-N 3.31Å; I230-S232 PolarHBondContact O-N 3.22Å; S232-V235 PolarHBondContact O-N 3.36Å; S232-Y236 WeakPolarHBondContact O-CB 3.19Å; S232-Y236 PolarHBondContact O-N 3.48Å
233	K	95.8	Very high	94.6	Very high	58 Å²	58	50.5 Å²	50.5	25%	0.252	25%	0.248	S	C	.	.	H	α-helix	trans	-64	-40.4	174.9	-84.8	-174.7	169.8	-105.4	0	111.7	I61 H229 I230 Q231 Y236 Y237 E370	I61-K233 HydrophobicContact CD1-CD 4.16Å; H229-K233 WeakPolarHBondContact O-CB 3.5Å; H229-K233 PolarHBondContact O-N 2.61Å; I230-K233 PolarHBondContact O-N 3.44Å; Q231-K233 PolarHBondContact O-N 3.14Å; K233-Y236 PolarHBondContact O-N 2.98Å; K233-Y237 WeakPolarHBondContact O-CB 3.24Å; K233-Y237 PolarHBondContact O-N 3.43Å; K233-E370 VanDerWaalsContact NZ-CD 3.26Å; K233-E370 IonicContact NZ-OE1 2.7Å; K233-E370 PolarHBondContact NZ-OE1 2.97Å; K233-E370 IonicContact NZ-OE2 3.93Å; K233-E370 PolarHBondContact NZ-OE2 3.48Å
234	I	97.6	Very high	93.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.2	-49.1	175.7	-66.5	158.5	0	0	0	110.3	I37 L54 L58 F148 I150 I230 Q231 Y236 Y237 L238	I37-I234 HydrophobicContact CD1-CD1 3.48Å; I37-I234 VanDerWaalsContact CD1-CD1 3.48Å; I37-I234 HydrophobicContact CD1-CG1 4.33Å; I37-I234 HydrophobicContact CG1-CD1 4.26Å; L54-I234 HydrophobicContact CD1-CB 4.39Å; L54-I234 HydrophobicContact CD1-CG1 4.07Å; L54-I234 HydrophobicContact CD1-CG2 4.04Å; L54-I234 HydrophobicContact CD2-CG1 4.36Å; L54-I234 HydrophobicContact CD2-CG2 3.79Å; L58-I234 HydrophobicContact CD1-CG1 4.39Å; L58-I234 HydrophobicContact CD2-CG1 4.36Å; F148-I234 HydrophobicContact CD1-CD1 4.3Å; F148-I234 HydrophobicContact CD1-CG2 4.43Å; F148-I234 HydrophobicContact CE1-CB 4.29Å; F148-I234 HydrophobicContact CE1-CG2 3.76Å; I150-I234 HydrophobicContact CD1-CG2 4Å; I230-I234 HydrophobicContact CG2-CD1 3.87Å; I230-I234 HydrophobicContact CG2-CG1 4.47Å; I230-I234 WeakPolarHBondContact O-CD1 3.23Å; I230-I234 VanDerWaalsContact O-CG1 3.24Å; I230-I234 WeakPolarHBondContact O-CG1 3.49Å; I230-I234 PolarHBondContact O-N 3.34Å; Q231-I234 PolarHBondContact O-N 3.43Å; I234-Y236 PolarHBondContact O-N 3.41Å; I234-Y237 PolarHBondContact O-N 3.05Å; I234-L238 HydrophobicContact CG2-CD1 3.8Å; I234-L238 HydrophobicContact CG2-CG 4.25Å; I234-L238 VanDerWaalsContact O-CG 3.24Å; I234-L238 WeakPolarHBondContact O-CG 3.3Å; I234-L238 PolarHBondContact O-N 3.19Å
235	V	97.9	Very high	92.9	Very high	15 Å²	15	57.2 Å²	57.2	9%	0.091	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-49.9	177	170.7	0	0	0	0	110.6	F148 I212 V223 I226 Q231 S232 Y237 L238 M239	F148-V235 HydrophobicContact CZ-CG2 3.98Å; I212-V235 HydrophobicContact CB-CG2 4.46Å; I212-V235 HydrophobicContact CD1-CB 4.42Å; I212-V235 HydrophobicContact CD1-CG1 4.14Å; I212-V235 HydrophobicContact CD1-CG2 4.18Å; V223-V235 HydrophobicContact CG1-CG1 4.44Å; V223-V235 HydrophobicContact CG1-CG2 4.05Å; V223-V235 HydrophobicContact CG2-CG1 3.9Å; I226-V235 HydrophobicContact CD1-CG2 3.63Å; I226-V235 HydrophobicContact CG1-CG2 4.35Å; Q231-V235 WeakPolarHBondContact O-CG2 3.28Å; Q231-V235 PolarHBondContact O-N 2.85Å; S232-V235 PolarHBondContact O-N 3.36Å; V235-Y237 VanDerWaalsContact C-N 3.33Å; V235-Y237 PolarHBondContact O-N 3.29Å; V235-L238 PolarHBondContact O-N 3.43Å; V235-M239 HydrophobicContact CG1-CG 4.46Å; V235-M239 HydrophobicContact CG1-SD 3.82Å; V235-M239 VanDerWaalsContact O-CG 3.28Å; V235-M239 WeakPolarHBondContact O-CG 3.22Å; V235-M239 PolarHBondContact O-N 3.12Å
236	Y	97.1	Very high	92.5	Very high	117 Å²	117	51 Å²	51	46%	0.459	26%	0.261	S	S	.	.	H	α-helix	trans	-57.4	-45.2	178.4	175.6	-118	0	0	0	112.1	S232 K233 I234 M239 N240 M374	S232-Y236 WeakPolarHBondContact O-CB 3.19Å; S232-Y236 PolarHBondContact O-N 3.48Å; K233-Y236 PolarHBondContact O-N 2.98Å; I234-Y236 PolarHBondContact O-N 3.41Å; Y236-M239 PolarHBondContact O-N 3.08Å; Y236-N240 WeakPolarHBondContact CD2-ND2 3.47Å; Y236-N240 VanDerWaalsContact CE2-ND2 3.26Å; Y236-N240 WeakPolarHBondContact CE2-ND2 3.1Å; Y236-N240 PolarHBondContact O-N 2.92Å; Y236-N240 PolarHBondContact O-ND2 3.36Å; Y236-M374 HydrophobicContact CD1-SD 4.26Å; Y236-M374 HydrophobicContact CE1-CB 4.36Å; Y236-M374 HydrophobicContact CE1-CG 3.73Å; Y236-M374 HydrophobicContact CE1-SD 3.94Å
237	Y	97	Very high	92.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.2	-46.9	176.8	179.5	-109.9	0	0	0	112.5	K53 L54 Y57 K233 I234 V235 M239 N240 I241 M374 E377 Y397	K53-Y237 VanDerWaalsContact CG-OH 3.32Å; K53-Y237 WeakPolarHBondContact CG-OH 3.26Å; K53-Y237 PolarHBondContact O-OH 3.2Å; L54-Y237 HydrophobicContact CB-CE1 4.36Å; L54-Y237 HydrophobicContact CD1-CD1 3.6Å; L54-Y237 HydrophobicContact CD1-CE1 4.11Å; L54-Y237 HydrophobicContact CD1-CG 4.47Å; Y57-Y237 AromaticContact CD1-CD1 3.95Å; Y57-Y237 HydrophobicContact CD1-CD1 3.95Å; Y57-Y237 AromaticContact CD1-CD2 3.7Å; Y57-Y237 HydrophobicContact CD1-CD2 3.7Å; Y57-Y237 HydrophobicContact CD1-CE1 4.3Å; Y57-Y237 HydrophobicContact CD1-CE2 4.1Å; Y57-Y237 AromaticContact CD1-CG 3.59Å; Y57-Y237 HydrophobicContact CD1-CG 3.59Å; Y57-Y237 HydrophobicContact CD2-CD2 4.04Å; Y57-Y237 HydrophobicContact CD2-CE2 4.04Å; Y57-Y237 HydrophobicContact CE1-CD2 4.02Å; Y57-Y237 AromaticContact CE1-CG 3.89Å; Y57-Y237 HydrophobicContact CE1-CG 3.89Å; Y57-Y237 HydrophobicContact CE2-CD2 4.36Å; Y57-Y237 HydrophobicContact CG-CD1 4.39Å; Y57-Y237 AromaticContact CG-CD2 3.7Å; Y57-Y237 HydrophobicContact CG-CD2 3.7Å; Y57-Y237 HydrophobicContact CG-CE1 4.35Å; Y57-Y237 AromaticContact CG-CE2 3.67Å; Y57-Y237 HydrophobicContact CG-CE2 3.67Å; Y57-Y237 HydrophobicContact CG-CG 4.04Å; Y57-Y237 AromaticContact CG-CZ 3.98Å; K233-Y237 WeakPolarHBondContact O-CB 3.24Å; K233-Y237 PolarHBondContact O-N 3.43Å; I234-Y237 PolarHBondContact O-N 3.05Å; V235-Y237 VanDerWaalsContact C-N 3.33Å; V235-Y237 PolarHBondContact O-N 3.29Å; Y237-M239 PolarHBondContact O-N 3.16Å; Y237-N240 PolarHBondContact O-N 3.39Å; Y237-I241 HydrophobicContact CD1-CG2 4.32Å; Y237-I241 HydrophobicContact CD2-CG2 4.18Å; Y237-I241 HydrophobicContact CE1-CD1 4.44Å; Y237-I241 HydrophobicContact CE1-CG2 3.9Å; Y237-I241 HydrophobicContact CE2-CG2 3.73Å; Y237-I241 HydrophobicContact CG-CG2 4.48Å; Y237-I241 PolarHBondContact O-N 3.1Å; Y237-M374 HydrophobicContact CD2-CE 3.54Å; Y237-M374 HydrophobicContact CD2-SD 3.83Å; Y237-M374 HydrophobicContact CE2-CE 3.82Å; Y237-E377 HydrophobicContact CE2-CG 4.33Å; Y237-Y397 PolarHBondContact OH-OH 3.43Å
238	L	96	Very high	92.5	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-30.5	179.7	-68.1	173.6	0	0	0	113	I50 I150 I212 F221 I234 V235 N240 I241	I50-L238 HydrophobicContact CG2-CD2 3.53Å; I150-L238 HydrophobicContact CD1-CD1 4Å; I150-L238 HydrophobicContact CG1-CD1 4.3Å; I150-L238 HydrophobicContact CG2-CD1 4.14Å; I212-L238 HydrophobicContact CD1-CB 4.3Å; I212-L238 HydrophobicContact CD1-CD1 4.05Å; I212-L238 HydrophobicContact CG2-CD1 3.74Å; F221-L238 WeakPolarHBondContact CZ-O 3.38Å; I234-L238 HydrophobicContact CG2-CD1 3.8Å; I234-L238 HydrophobicContact CG2-CG 4.25Å; I234-L238 VanDerWaalsContact O-CG 3.24Å; I234-L238 WeakPolarHBondContact O-CG 3.3Å; I234-L238 PolarHBondContact O-N 3.19Å; V235-L238 PolarHBondContact O-N 3.43Å; L238-N240 VanDerWaalsContact C-N 3.29Å; L238-N240 PolarHBondContact O-N 2.97Å; L238-I241 HydrophobicContact CD2-CD1 3.96Å
239	M	95.3	Very high	92.7	Very high	104 Å²	104	42.9 Å²	42.9	51%	0.512	22%	0.223	S	C	.	.	H	α-helix	trans	-73.3	-18.6	176.3	-69.8	175.5	72.1	0	0	113.6	F221 V235 Y236 Y237	F221-M239 HydrophobicContact CD1-CG 4.34Å; F221-M239 HydrophobicContact CD2-CG 3.98Å; F221-M239 HydrophobicContact CE1-CG 4.34Å; F221-M239 HydrophobicContact CE2-CB 4.34Å; F221-M239 HydrophobicContact CE2-CG 4.01Å; F221-M239 HydrophobicContact CG-CG 4.15Å; F221-M239 HydrophobicContact CZ-CB 4.41Å; F221-M239 HydrophobicContact CZ-CG 4.19Å; V235-M239 HydrophobicContact CG1-CG 4.46Å; V235-M239 HydrophobicContact CG1-SD 3.82Å; V235-M239 VanDerWaalsContact O-CG 3.28Å; V235-M239 WeakPolarHBondContact O-CG 3.22Å; V235-M239 PolarHBondContact O-N 3.12Å; Y236-M239 PolarHBondContact O-N 3.08Å; Y237-M239 PolarHBondContact O-N 3.16Å
240	N	94	Very high	93	Very high	27 Å²	27	38 Å²	38	14%	0.144	20%	0.2	C	C	.	.	H	α-helix	trans	-105.4	-13.4	-176.8	-72.8	-75.4	0	0	0	113.9	Y236 Y237 L238 E377 R378	Y236-N240 WeakPolarHBondContact CD2-ND2 3.47Å; Y236-N240 VanDerWaalsContact CE2-ND2 3.26Å; Y236-N240 WeakPolarHBondContact CE2-ND2 3.1Å; Y236-N240 PolarHBondContact O-N 2.92Å; Y236-N240 PolarHBondContact O-ND2 3.36Å; Y237-N240 PolarHBondContact O-N 3.39Å; L238-N240 VanDerWaalsContact C-N 3.29Å; L238-N240 PolarHBondContact O-N 2.97Å; N240-E377 CarbonylContact O-C 3.58Å; N240-E377 VanDerWaalsContact O-C 3.26Å; N240-E377 VanDerWaalsContact O-O 3.09Å; N240-R378 WeakPolarHBondContact O-CA 3.39Å; N240-R378 PolarHBondContact O-N 3.4Å
241	I	91.1	Very high	93.2	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.108	20%	0.198	C	C	.	.			trans	-83.3	143.2	176.8	61.6	172.6	0	0	0	111.8	K53 Y237 L238 E377	K53-I241 HydrophobicContact CD-CB 4.48Å; K53-I241 HydrophobicContact CD-CD1 4.33Å; K53-I241 HydrophobicContact CD-CG2 4.13Å; Y237-I241 HydrophobicContact CD1-CG2 4.32Å; Y237-I241 HydrophobicContact CD2-CG2 4.18Å; Y237-I241 HydrophobicContact CE1-CD1 4.44Å; Y237-I241 HydrophobicContact CE1-CG2 3.9Å; Y237-I241 HydrophobicContact CE2-CG2 3.73Å; Y237-I241 HydrophobicContact CG-CG2 4.48Å; Y237-I241 PolarHBondContact O-N 3.1Å; L238-I241 HydrophobicContact CD2-CD1 3.96Å; I241-E377 HydrophobicContact CG2-CB 4.18Å; I241-E377 HydrophobicContact CG2-CG 4.29Å
242	H	84.4	Confident	93.3	Very high	31 Å²	31	37.8 Å²	37.8	14%	0.144	20%	0.199	C	C	.	.			trans	-133.7	161.7	167	68.1	105.4	0	0	0	111.6	Y49 Q244 R246 E377 Q379	Y49-H242 PolarHBondContact OH-O 2.93Å; H242-Q244 WeakPolarHBondContact ND1-CB 3.49Å; H242-Q244 PolarHBondContact ND1-N 3.16Å; H242-R246 PolarHBondContact CD2-NH1 2.86Å; H242-R246 PolarHBondContact CE1-NH1 2.77Å; H242-R246 VanDerWaalsContact NE2-CZ 3.35Å; H242-R246 PolarHBondContact NE2-NH1 3.09Å; H242-R246 PolarHBondContact O-NH1 2.67Å; H242-E377 PolarHBondContact CD2-O 3.22Å; H242-E377 PolarHBondContact NE2-O 2.94Å; H242-Q379 PolarHBondContact NE2-O 3.08Å
243	V	79.2	Confident	93.4	Very high	74 Å²	74	34.8 Å²	34.8	45%	0.448	18%	0.177	S	C	.	.			trans	-99.8	-2.7	-177.4	-54.2	0	0	0	0	113.7	Y49 V217	Y49-V243 HydrophobicContact CD1-CG1 4.3Å; Y49-V243 HydrophobicContact CE1-CG1 3.83Å; V217-V243 HydrophobicContact CG1-CB 4.22Å; V217-V243 HydrophobicContact CG1-CG1 3.84Å; V217-V243 HydrophobicContact CG1-CG2 3.33Å
244	Q	79.3	Confident	93.5	Very high	111 Å²	111	32 Å²	32	52%	0.519	17%	0.165	S	C	.	.	S	Bend	trans	-63.6	136.3	-177.9	-61.8	170.3	-17	0	0	110	H242 R246	H242-Q244 WeakPolarHBondContact ND1-CB 3.49Å; H242-Q244 PolarHBondContact ND1-N 3.16Å; Q244-R246 PolarHBondContact O-N 3.01Å
245	P	82.3	Confident	93.5	Very high	123 Å²	123	32 Å²	32	80%	0.799	17%	0.165	S	C	*	.			trans	-57.8	135.2	175.6	-23.2	33.3	0	0	0	111
246	R	89.6	Confident	93.6	Very high	10 Å²	10	31.3 Å²	31.3	4%	0.038	16%	0.161	C	C	.	.			trans	-155.8	167.4	-179.3	62.5	178.8	-173	-92.5	11.3	111.5	H242 Q244 L376 E377 Q379 E380 P421	H242-R246 PolarHBondContact CD2-NH1 2.86Å; H242-R246 PolarHBondContact CE1-NH1 2.77Å; H242-R246 VanDerWaalsContact NE2-CZ 3.35Å; H242-R246 PolarHBondContact NE2-NH1 3.09Å; H242-R246 PolarHBondContact O-NH1 2.67Å; Q244-R246 PolarHBondContact O-N 3.01Å; R246-L376 PolarHBondContact NH2-O 3.04Å; R246-E377 IonicContact CZ-OE2 3.79Å; R246-E377 PolarHBondContact NH2-O 2.94Å; R246-E377 VanDerWaalsContact NH2-O 3.08Å; R246-E377 IonicContact NH2-OE2 3.38Å; R246-E377 PolarHBondContact NH2-OE2 3.35Å; R246-Q379 WeakPolarHBondContact CD-O 3.48Å; R246-Q379 PolarHBondContact NE-O 2.82Å; R246-Q379 VanDerWaalsContact NE-O 3.11Å; R246-E380 HydrophobicContact CB-CB 4.45Å; R246-E380 WeakPolarHBondContact CD-O 3.47Å; R246-P421 HydrophobicContact CG-CG 4.43Å; R246-P421 WeakPolarHBondContact O-CD 3.42Å
247	T	94	Very high	93.6	Very high	22 Å²	22	31.7 Å²	31.7	14%	0.135	17%	0.165	C	C	.	.			trans	-124.8	129.6	177.8	-51.3	0	0	0	0	111.1	Y249 N381 V382 K418	T247-Y249 HydrophobicContact CG2-CD2 3.95Å; T247-Y249 HydrophobicContact CG2-CE1 4.11Å; T247-Y249 HydrophobicContact CG2-CE2 3.34Å; T247-Y249 VanDerWaalsContact CG2-CZ 3.47Å; T247-N381 PolarHBondContact N-OD1 2.88Å; T247-N381 WeakPolarHBondContact O-CA 3.46Å; T247-V382 PolarHBondContact O-N 3.14Å; T247-K418 HydrophobicContact CG2-CD 4.14Å; T247-K418 HydrophobicContact CG2-CG 3.51Å
248	I	97.1	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.8	173.1	-58.8	167.7	0	0	0	107.9	L250 L376 V382 F398 L419	I248-L250 HydrophobicContact CG2-CD2 3.93Å; I248-L250 HydrophobicContact CG2-CG 4.35Å; I248-L376 HydrophobicContact CG2-CD2 4.23Å; I248-V382 CarbonylContact C-O 3.59Å; I248-V382 WeakPolarHBondContact CA-O 3Å; I248-F398 HydrophobicContact CD1-CE1 3.62Å; I248-F398 HydrophobicContact CD1-CE2 4.22Å; I248-F398 HydrophobicContact CD1-CZ 3.41Å; I248-F398 VanDerWaalsContact CD1-CZ 3.41Å; I248-L419 HydrophobicContact CB-CB 4.13Å; I248-L419 HydrophobicContact CG2-CD1 4.4Å; I248-L419 PolarHBondContact N-O 3.21Å; I248-L419 WeakPolarHBondContact O-CA 3.45Å; I248-L419 VanDerWaalsContact O-CB 3.29Å; I248-L419 WeakPolarHBondContact O-CB 3.5Å; I248-L419 PolarHBondContact O-N 2.95Å
249	Y	98.4	Very high	93.7	Very high	5 Å²	5	33.3 Å²	33.3	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124	175.4	-61.9	-93.2	0	0	0	108.8	T247 F284 Q288 L290 V382 L383 V384 V416 L417 K418	T247-Y249 HydrophobicContact CG2-CD2 3.95Å; T247-Y249 HydrophobicContact CG2-CE1 4.11Å; T247-Y249 HydrophobicContact CG2-CE2 3.34Å; T247-Y249 VanDerWaalsContact CG2-CZ 3.47Å; Y249-F284 AromaticContact CD1-CE1 3.99Å; Y249-F284 HydrophobicContact CD1-CE1 3.99Å; Y249-F284 HydrophobicContact CD1-CZ 4.26Å; Y249-F284 AromaticContact CE1-CE1 3.92Å; Y249-F284 HydrophobicContact CE1-CE1 3.92Å; Y249-F284 AromaticContact CE1-CZ 3.88Å; Y249-F284 HydrophobicContact CE1-CZ 3.88Å; Y249-Q288 HydrophobicContact CE1-CG 4.34Å; Y249-Q288 PolarHBondContact OH-OE1 3.36Å; Y249-Q288 VanDerWaalsContact OH-OE1 3.14Å; Y249-L290 HydrophobicContact CD2-CD1 4.15Å; Y249-L290 HydrophobicContact CE2-CD1 3.31Å; Y249-L290 HydrophobicContact CE2-CD2 4.38Å; Y249-L290 HydrophobicContact CE2-CG 4.47Å; Y249-V382 PolarHBondContact N-O 3.45Å; Y249-L383 CarbonylContact O-C 3.59Å; Y249-L383 WeakPolarHBondContact O-CA 3.44Å; Y249-V384 PolarHBondContact O-N 3.15Å; Y249-V416 HydrophobicContact CD1-CG1 3.76Å; Y249-V416 HydrophobicContact CG-CG1 4.44Å; Y249-L417 WeakPolarHBondContact CA-O 3.39Å; Y249-K418 HydrophobicContact CD1-CB 4.1Å; Y249-K418 HydrophobicContact CD1-CG 4.22Å; Y249-K418 HydrophobicContact CE1-CB 4.03Å; Y249-K418 HydrophobicContact CE1-CD 3.96Å; Y249-K418 HydrophobicContact CE1-CG 3.78Å
250	L	98.6	Very high	93.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.3	173.2	-58	-175.1	0	0	0	109.1	I248 V384 M391 L394 L417 L419	I248-L250 HydrophobicContact CG2-CD2 3.93Å; I248-L250 HydrophobicContact CG2-CG 4.35Å; L250-V384 HydrophobicContact CD2-CB 3.71Å; L250-V384 HydrophobicContact CD2-CG2 3.86Å; L250-M391 HydrophobicContact CB-CE 3.87Å; L250-M391 HydrophobicContact CB-CG 4.33Å; L250-M391 WeakPolarHBondContact O-CE 3.43Å; L250-L394 HydrophobicContact CD1-CB 3.99Å; L250-L394 HydrophobicContact CD2-CD1 4.11Å; L250-L417 HydrophobicContact CB-CB 4.45Å; L250-L417 PolarHBondContact N-O 3.45Å; L250-L417 PolarHBondContact O-N 2.89Å; L250-L419 HydrophobicContact CD1-CD1 3.59Å; L250-L419 HydrophobicContact CD1-CG 4.49Å; L250-L419 HydrophobicContact CG-CD1 3.89Å; L250-L419 HydrophobicContact CG-CG 4.48Å
251	C	98.6	Very high	93.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	162.3	167.2	69.4	0	0	0	0	110.5	F277 V384 V385 C386 V416	C251-F277 HydrophobicContact CB-CZ 4.47Å; C251-V384 PolarHBondContact N-O 3.15Å; C251-V384 VanDerWaalsContact O-O 3.09Å; C251-V385 WeakPolarHBondContact O-CA 3.38Å; C251-C386 PolarHBondContact O-N 2.57Å; C251-V416 HydrophobicContact CB-CG2 4.24Å
252	R	98.6	Very high	94.1	Very high	5 Å²	5	37.2 Å²	37.2	2%	0.019	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	161.2	166.9	-67.9	170	61.2	-171.7	-1	109.3	C386 Q388 M391 C411 L413 T440	R252-C386 CarbonylContact C-O 3.54Å; R252-C386 VanDerWaalsContact CA-O 3.27Å; R252-C386 WeakPolarHBondContact CA-O 3.49Å; R252-Q388 VanDerWaalsContact NH1-OE1 3.1Å; R252-M391 HydrophobicContact CG-SD 3.79Å; R252-C411 WeakPolarHBondContact CD-O 3.37Å; R252-C411 PolarHBondContact NH1-O 2.92Å; R252-L413 HydrophobicContact CB-CD2 4.1Å; R252-T440 PolarHBondContact NH1-OG1 2.9Å; R252-T440 PolarHBondContact NH2-OG1 2.98Å
253	H	98.6	Very high	94.6	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.014	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-49.6	157.6	159.6	59.1	81.6	0	0	0	111.5	N259 R302 V385 C386 H387 L413	H253-N259 PolarHBondContact CE1-OD1 2.66Å; H253-R302 HydrophobicContact CB-CB 4.06Å; H253-R302 HydrophobicContact CB-CG 3.97Å; H253-R302 PolarHBondContact CD2-NE 3.43Å; H253-R302 WeakPolarHBondContact CE1-CD 3.41Å; H253-R302 PolarHBondContact CE1-NE 3.26Å; H253-R302 WeakPolarHBondContact NE2-CD 3.35Å; H253-R302 PolarHBondContact NE2-NE 3.22Å; H253-V385 HydrophobicContact CB-CG1 4.47Å; H253-C386 PolarHBondContact CD2-O 3.19Å; H253-C386 VanDerWaalsContact CD2-O 3.22Å; H253-C386 PolarHBondContact N-O 3.34Å; H253-H387 AromaticContact CD2-CE1 3.65Å; H253-H387 AromaticContact CD2-CG 3.99Å; H253-H387 AromaticContact CD2-ND1 3.05Å; H253-H387 PolarHBondContact CD2-ND1 3.49Å; H253-H387 AromaticContact NE2-ND1 3.28Å; H253-H387 PolarHBondContact NE2-ND1 2.81Å; H253-L413 WeakPolarHBondContact O-CD2 3.42Å
254	G	98.4	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-58.8	156.9	168	0	0	0	0	0	111.8	S256 L270 F277 T306	G254-S256 PolarHBondContact O-N 2.78Å; G254-L270 WeakPolarHBondContact O-CD2 3.31Å; G254-F277 VanDerWaalsContact CA-CD1 3.45Å; G254-T306 PolarHBondContact N-OG1 2.86Å
255	E	98.6	Very high	95.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-48	127	177.6	-176.6	-171.7	-111.3	0	0	111	N259 L260 S271 R273 G274 L413 H414 A437 V438	E255-N259 HydrophobicContact CG-CB 4.13Å; E255-L260 VanDerWaalsContact CD-CD2 3.47Å; E255-L260 HydrophobicContact CG-CD2 4.31Å; E255-L260 HydrophobicContact CG-CG 4.43Å; E255-L260 WeakPolarHBondContact OE2-CD2 3.35Å; E255-S271 WeakPolarHBondContact O-CB 3.49Å; E255-S271 PolarHBondContact O-N 3.43Å; E255-S271 PolarHBondContact O-OG 3.02Å; E255-S271 PolarHBondContact OE2-OG 3.33Å; E255-R273 IonicContact OE1-CZ 2.82Å; E255-R273 IonicContact OE1-NE 3.97Å; E255-R273 PolarHBondContact OE1-NE 2.62Å; E255-R273 IonicContact OE1-NH2 3.49Å; E255-R273 PolarHBondContact OE1-NH2 3.43Å; E255-R273 IonicContact OE2-CZ 3.28Å; E255-R273 IonicContact OE2-NE 3.42Å; E255-R273 PolarHBondContact OE2-NE 3.39Å; E255-R273 IonicContact OE2-NH2 2.9Å; E255-R273 PolarHBondContact OE2-NH2 3.11Å; E255-G274 WeakPolarHBondContact O-CA 3.4Å; E255-L413 HydrophobicContact CB-CD1 4.22Å; E255-L413 HydrophobicContact CG-CD1 4.31Å; E255-H414 WeakPolarHBondContact CB-NE2 3.35Å; E255-H414 PolarHBondContact N-NE2 3.01Å; E255-A437 WeakPolarHBondContact OE1-CA 3.34Å; E255-V438 HydrophobicContact CG-CG2 4.34Å; E255-V438 PolarHBondContact OE1-N 3.18Å
256	S	98.4	Very high	96.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-98.4	169.6	178.3	74.8	0	0	0	0	112.5	G254 D258 N259 L260 S268 G269	G254-S256 PolarHBondContact O-N 2.78Å; S256-D258 VanDerWaalsContact C-N 3.29Å; S256-D258 PolarHBondContact O-N 3.2Å; S256-D258 PolarHBondContact OG-N 2.96Å; S256-N259 PolarHBondContact N-OD1 2.77Å; S256-N259 WeakPolarHBondContact O-CB 3.48Å; S256-N259 PolarHBondContact O-N 3.48Å; S256-N259 VanDerWaalsContact OG-CG 3.24Å; S256-N259 PolarHBondContact OG-N 2.69Å; S256-N259 PolarHBondContact OG-OD1 2.74Å; S256-L260 PolarHBondContact O-N 3.12Å; S256-S268 PolarHBondContact OG-OG 2.75Å; S256-G269 WeakPolarHBondContact CA-O 3.21Å
257	K	98.1	Very high	96.8	Very high	125 Å²	125	31.8 Å²	31.8	54%	0.543	17%	0.169	S	C	.	.	H	α-helix	trans	-61.8	-38.3	172.6	-63.1	179.7	-179.2	178.8	0	111.9	N259 L260 Q261 G269	K257-N259 VanDerWaalsContact C-N 3.29Å; K257-N259 PolarHBondContact O-N 3.12Å; K257-L260 WeakPolarHBondContact O-CB 3.37Å; K257-L260 PolarHBondContact O-N 2.73Å; K257-Q261 PolarHBondContact O-N 2.63Å; K257-G269 PolarHBondContact N-O 2.83Å; K257-G269 VanDerWaalsContact N-O 3.13Å
258	D	97.3	Very high	97	Very high	17 Å²	17	31.7 Å²	31.7	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-34	176.5	-64.3	-25.2	0	0	0	111.8	S256 L260 Q261 G262 R263 S268	S256-D258 VanDerWaalsContact C-N 3.29Å; S256-D258 PolarHBondContact O-N 3.2Å; S256-D258 PolarHBondContact OG-N 2.96Å; D258-L260 PolarHBondContact O-N 2.82Å; D258-Q261 CarbonylContact O-C 3.27Å; D258-Q261 PolarHBondContact O-N 3.34Å; D258-G262 PolarHBondContact O-N 3.29Å; D258-R263 HydrophobicContact CB-CB 4.05Å; D258-R263 PolarHBondContact O-N 2.98Å; D258-S268 WeakPolarHBondContact CB-OG 3.32Å; D258-S268 VanDerWaalsContact CG-CB 3.43Å; D258-S268 PolarHBondContact N-OG 3.22Å; D258-S268 PolarHBondContact OD1-OG 3.08Å; D258-S268 WeakPolarHBondContact OD2-CB 3.38Å; D258-S268 PolarHBondContact OD2-N 3.17Å; D258-S268 PolarHBondContact OD2-OG 3.35Å
259	N	97.4	Very high	97	Very high	21 Å²	21	32.5 Å²	32.5	11%	0.112	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-43.5	174.4	-59.9	154.4	0	0	0	111.5	H253 E255 S256 K257 Q261 G262 L413 V438 T440	H253-N259 PolarHBondContact CE1-OD1 2.66Å; E255-N259 HydrophobicContact CG-CB 4.13Å; S256-N259 PolarHBondContact N-OD1 2.77Å; S256-N259 WeakPolarHBondContact O-CB 3.48Å; S256-N259 PolarHBondContact O-N 3.48Å; S256-N259 VanDerWaalsContact OG-CG 3.24Å; S256-N259 PolarHBondContact OG-N 2.69Å; S256-N259 PolarHBondContact OG-OD1 2.74Å; K257-N259 VanDerWaalsContact C-N 3.29Å; K257-N259 PolarHBondContact O-N 3.12Å; N259-Q261 PolarHBondContact O-N 2.67Å; N259-G262 PolarHBondContact O-N 3Å; N259-G262 VanDerWaalsContact O-N 3.08Å; N259-L413 HydrophobicContact CB-CD1 4.47Å; N259-V438 HydrophobicContact CB-CG2 3.87Å; N259-T440 HydrophobicContact CB-CG2 4.49Å
260	L	97.3	Very high	97	Very high	87 Å²	87	32.4 Å²	32.4	46%	0.455	18%	0.177	S	C	.	.	H	α-helix	trans	-59.8	-33.2	176.3	-67.6	176.6	0	0	0	112.6	E255 S256 K257 D258 V438	E255-L260 VanDerWaalsContact CD-CD2 3.47Å; E255-L260 HydrophobicContact CG-CD2 4.31Å; E255-L260 HydrophobicContact CG-CG 4.43Å; E255-L260 WeakPolarHBondContact OE2-CD2 3.35Å; S256-L260 PolarHBondContact O-N 3.12Å; K257-L260 WeakPolarHBondContact O-CB 3.37Å; K257-L260 PolarHBondContact O-N 2.73Å; D258-L260 PolarHBondContact O-N 2.82Å; L260-V438 HydrophobicContact CD2-CG1 4.04Å
261	Q	96.3	Very high	97	Very high	108 Å²	108	32.9 Å²	32.9	51%	0.505	18%	0.181	S	C	.	.	H	α-helix	trans	-89.3	-5.4	179.1	-63	-178.1	6.5	0	0	113.2	K257 D258 N259 R263 T332	K257-Q261 PolarHBondContact O-N 2.63Å; D258-Q261 CarbonylContact O-C 3.27Å; D258-Q261 PolarHBondContact O-N 3.34Å; N259-Q261 PolarHBondContact O-N 2.67Å; Q261-R263 VanDerWaalsContact C-N 3.28Å; Q261-R263 HydrophobicContact CB-CG 4.04Å; Q261-R263 PolarHBondContact O-N 2.74Å; Q261-T332 WeakPolarHBondContact O-CG2 3.09Å
262	G	94.8	Very high	97	Very high	38 Å²	38	40.3 Å²	40.3	39%	0.392	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	22.1	-176.4	0	0	0	0	0	114.6	D258 N259 T332	D258-G262 PolarHBondContact O-N 3.29Å; N259-G262 PolarHBondContact O-N 3Å; N259-G262 VanDerWaalsContact O-N 3.08Å; G262-T332 WeakPolarHBondContact O-CA 3.37Å
263	R	95.9	Very high	97	Very high	97 Å²	97	43.5 Å²	43.5	37%	0.366	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-81	146.4	-179.7	-67.8	179.9	-178	-124.2	-1	112.1	D258 Q261 D330 M331 T332	D258-R263 HydrophobicContact CB-CB 4.05Å; D258-R263 PolarHBondContact O-N 2.98Å; Q261-R263 VanDerWaalsContact C-N 3.28Å; Q261-R263 HydrophobicContact CB-CG 4.04Å; Q261-R263 PolarHBondContact O-N 2.74Å; R263-D330 WeakPolarHBondContact CD-O 2.94Å; R263-D330 PolarHBondContact NH1-O 3.41Å; R263-D330 VanDerWaalsContact NH1-O 3.08Å; R263-M331 CarbonylContact C-O 3.6Å; R263-M331 WeakPolarHBondContact CA-O 3.44Å; R263-T332 HydrophobicContact CG-CG2 4.09Å
264	L	92.6	Very high	97	Very high	21 Å²	21	43.3 Å²	43.3	11%	0.11	23%	0.226	C	C	.	.			trans	-85.9	143.3	175	-61.8	176.9	0	0	0	111	G266 A325 D330 M331 Y333 V336	L264-G266 PolarHBondContact O-N 2.71Å; L264-A325 HydrophobicContact CB-CB 4.49Å; L264-D330 PolarHBondContact O-N 3.16Å; L264-M331 WeakPolarHBondContact CB-O 3.43Å; L264-M331 WeakPolarHBondContact CG-O 3.33Å; L264-M331 PolarHBondContact N-O 3.19Å; L264-Y333 HydrophobicContact CD1-CD1 4.42Å; L264-Y333 HydrophobicContact CD1-CE1 4.29Å; L264-Y333 HydrophobicContact CD2-CD2 4.18Å; L264-Y333 HydrophobicContact CD2-CE1 4.04Å; L264-Y333 HydrophobicContact CD2-CE2 3.57Å; L264-V336 HydrophobicContact CD1-CG2 4.11Å
265	G	92.8	Very high	97	Very high	17 Å²	17	50.3 Å²	50.3	18%	0.175	25%	0.253	C	S	.	.	S	Bend	trans	65.3	-128.4	172.6	0	0	0	0	0	113.4	E329	G265-E329 VanDerWaalsContact CA-OE2 3.22Å; G265-E329 WeakPolarHBondContact CA-OE2 3.24Å
266	G	93.9	Very high	97	Very high	13 Å²	13	55 Å²	55	13%	0.134	28%	0.275	C	S	.	.			trans	66.6	-179	177.6	0	0	0	0	0	114.5	L264 R302 E329 D330	L264-G266 PolarHBondContact O-N 2.71Å; G266-R302 PolarHBondContact O-NH1 3.04Å; G266-E329 PolarHBondContact N-OE2 3.05Å; G266-D330 WeakPolarHBondContact CA-OD1 3.44Å
267	D	97.2	Very high	97	Very high	87 Å²	87	55 Å²	55	47%	0.465	27%	0.274	S	S	.	.			trans	-132.9	35.5	178.7	-162.2	29.9	0	0	0	113.6	L300 C301	D267-L300 HydrophobicContact CB-CD2 4.42Å; D267-L300 VanDerWaalsContact OD1-CA 3.26Å; D267-L300 WeakPolarHBondContact OD1-CA 3.44Å; D267-L300 WeakPolarHBondContact OD1-CB 3.27Å; D267-C301 WeakPolarHBondContact OD1-CB 3.45Å; D267-C301 PolarHBondContact OD1-N 3.24Å
268	S	97.5	Very high	97	Very high	21 Å²	21	49 Å²	49	15%	0.147	25%	0.249	C	C	.	.			trans	-64.2	149.9	174.1	66.2	0	0	0	0	112.7	S256 D258	S256-S268 PolarHBondContact OG-OG 2.75Å; D258-S268 WeakPolarHBondContact CB-OG 3.32Å; D258-S268 VanDerWaalsContact CG-CB 3.43Å; D258-S268 PolarHBondContact N-OG 3.22Å; D258-S268 PolarHBondContact OD1-OG 3.08Å; D258-S268 WeakPolarHBondContact OD2-CB 3.38Å; D258-S268 PolarHBondContact OD2-N 3.17Å; D258-S268 PolarHBondContact OD2-OG 3.35Å
269	G	98.1	Very high	97	Very high	16 Å²	16	50.3 Å²	50.3	17%	0.165	26%	0.262	C	S	.	.			trans	-76.6	178.3	170.2	0	0	0	0	0	113.8	S256 K257 Q305	S256-G269 WeakPolarHBondContact CA-O 3.21Å; K257-G269 PolarHBondContact N-O 2.83Å; K257-G269 VanDerWaalsContact N-O 3.13Å; G269-Q305 VanDerWaalsContact CA-OE1 3.26Å
270	L	98.4	Very high	97.1	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-63.9	144.3	-178.4	-62.3	179.4	0	0	0	113.3	G254 R275 S278 R302 Q305	G254-L270 WeakPolarHBondContact O-CD2 3.31Å; L270-R275 HydrophobicContact CB-CG 4.08Å; L270-R275 HydrophobicContact CD1-CG 4.3Å; L270-S278 WeakPolarHBondContact CD1-OG 3.29Å; L270-R302 HydrophobicContact CD2-CB 4.09Å; L270-Q305 HydrophobicContact CD1-CB 3.63Å; L270-Q305 HydrophobicContact CG-CB 3.85Å
271	S	98.5	Very high	97.1	Very high	10 Å²	10	45.5 Å²	45.5	7%	0.07	24%	0.238	C	C	.	.			trans	-71.2	174.8	163	86.2	0	0	0	0	110.7	E255 R273 G274 R275	E255-S271 WeakPolarHBondContact O-CB 3.49Å; E255-S271 PolarHBondContact O-N 3.43Å; E255-S271 PolarHBondContact O-OG 3.02Å; E255-S271 PolarHBondContact OE2-OG 3.33Å; S271-R273 VanDerWaalsContact C-N 3.3Å; S271-R273 PolarHBondContact O-N 3.46Å; S271-R273 PolarHBondContact OG-N 3.16Å; S271-G274 PolarHBondContact O-N 2.68Å; S271-G274 PolarHBondContact OG-N 3.17Å; S271-R275 PolarHBondContact O-N 2.86Å; S271-R275 VanDerWaalsContact O-N 3.1Å
272	Q	98.1	Very high	97.2	Very high	156 Å²	156	41.1 Å²	41.1	73%	0.729	22%	0.219	S	C	*	.	H	α-helix	trans	-59.8	-42.3	172.3	-173.7	176.3	11.5	0	0	111.6	R275 Q276	Q272-R275 PolarHBondContact O-N 3.3Å; Q272-Q276 WeakPolarHBondContact O-CG 3.45Å; Q272-Q276 PolarHBondContact O-N 2.9Å; Q272-Q276 VanDerWaalsContact O-N 3.12Å
273	R	98.4	Very high	97.3	Very high	71 Å²	71	46.9 Å²	46.9	27%	0.268	23%	0.23	S	C	.	.	H	α-helix	trans	-67.9	-35.9	176.4	-61.9	-174.1	-69.3	-162.8	-1.5	111.5	E255 S271 R275 Q276 F277 V435 E436	E255-R273 IonicContact OE1-CZ 2.82Å; E255-R273 IonicContact OE1-NE 3.97Å; E255-R273 PolarHBondContact OE1-NE 2.62Å; E255-R273 IonicContact OE1-NH2 3.49Å; E255-R273 PolarHBondContact OE1-NH2 3.43Å; E255-R273 IonicContact OE2-CZ 3.28Å; E255-R273 IonicContact OE2-NE 3.42Å; E255-R273 PolarHBondContact OE2-NE 3.39Å; E255-R273 IonicContact OE2-NH2 2.9Å; E255-R273 PolarHBondContact OE2-NH2 3.11Å; S271-R273 VanDerWaalsContact C-N 3.3Å; S271-R273 PolarHBondContact O-N 3.46Å; S271-R273 PolarHBondContact OG-N 3.16Å; R273-R275 VanDerWaalsContact C-N 3.31Å; R273-R275 PolarHBondContact O-N 3.11Å; R273-Q276 WeakPolarHBondContact O-CB 3.31Å; R273-Q276 PolarHBondContact O-N 3.03Å; R273-F277 PolarHBondContact O-N 3.26Å; R273-V435 HydrophobicContact CB-CG1 4.24Å; R273-V435 WeakPolarHBondContact O-CG1 3.41Å; R273-E436 WeakPolarHBondContact CD-O 3.36Å; R273-E436 IonicContact NH1-OE2 3.6Å
274	G	98.5	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-38.1	172.9	0	0	0	0	0	113.5	E255 S271 F277 S278	E255-G274 WeakPolarHBondContact O-CA 3.4Å; S271-G274 PolarHBondContact O-N 2.68Å; S271-G274 PolarHBondContact OG-N 3.17Å; G274-F277 PolarHBondContact O-N 3.04Å; G274-S278 PolarHBondContact O-N 3.36Å; G274-S278 PolarHBondContact O-OG 2.98Å
275	R	98.3	Very high	97.5	Very high	146 Å²	146	43 Å²	43	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-68.9	-40.6	173.5	-63.8	-177.9	-161.1	-166.3	2.3	112.3	L270 S271 Q272 R273 F277 S278 A279	L270-R275 HydrophobicContact CB-CG 4.08Å; L270-R275 HydrophobicContact CD1-CG 4.3Å; S271-R275 PolarHBondContact O-N 2.86Å; S271-R275 VanDerWaalsContact O-N 3.1Å; Q272-R275 PolarHBondContact O-N 3.3Å; R273-R275 VanDerWaalsContact C-N 3.31Å; R273-R275 PolarHBondContact O-N 3.11Å; R275-F277 VanDerWaalsContact C-N 3.33Å; R275-F277 PolarHBondContact O-N 3.2Å; R275-S278 PolarHBondContact O-N 3.08Å; R275-S278 VanDerWaalsContact O-N 3.16Å; R275-A279 PolarHBondContact O-N 2.79Å
276	Q	98.4	Very high	97.5	Very high	99 Å²	99	47.6 Å²	47.6	46%	0.463	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-43.2	174.1	-69.6	170.3	-16.1	0	0	111.6	Q272 R273 S278 A279 A280 V435	Q272-Q276 WeakPolarHBondContact O-CG 3.45Å; Q272-Q276 PolarHBondContact O-N 2.9Å; Q272-Q276 VanDerWaalsContact O-N 3.12Å; R273-Q276 WeakPolarHBondContact O-CB 3.31Å; R273-Q276 PolarHBondContact O-N 3.03Å; Q276-S278 VanDerWaalsContact C-N 3.34Å; Q276-A279 PolarHBondContact O-N 3.01Å; Q276-A280 PolarHBondContact O-N 3.43Å; Q276-V435 HydrophobicContact CB-CG1 3.89Å; Q276-V435 HydrophobicContact CB-CG2 4.34Å
277	F	98.6	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.9	-43.3	173	167	-105.3	0	0	0	111.9	C251 G254 R273 G274 R275 A279 A280 L281 T306 H414 L433 V435	C251-F277 HydrophobicContact CB-CZ 4.47Å; G254-F277 VanDerWaalsContact CA-CD1 3.45Å; R273-F277 PolarHBondContact O-N 3.26Å; G274-F277 PolarHBondContact O-N 3.04Å; R275-F277 VanDerWaalsContact C-N 3.33Å; R275-F277 PolarHBondContact O-N 3.2Å; F277-A279 VanDerWaalsContact C-N 3.3Å; F277-A279 PolarHBondContact O-N 3.13Å; F277-A280 CarbonylContact O-C 3.56Å; F277-A280 PolarHBondContact O-N 2.91Å; F277-A280 VanDerWaalsContact O-N 3.08Å; F277-L281 HydrophobicContact CE1-CD2 4.25Å; F277-L281 HydrophobicContact CZ-CB 4.36Å; F277-L281 HydrophobicContact CZ-CD1 4.42Å; F277-L281 HydrophobicContact CZ-CD2 4.22Å; F277-L281 WeakPolarHBondContact O-CB 3.46Å; F277-L281 PolarHBondContact O-N 3.24Å; F277-T306 HydrophobicContact CD1-CG2 4.43Å; F277-T306 HydrophobicContact CE1-CG2 4.07Å; F277-H414 HydrophobicContact CB-CB 4.38Å; F277-H414 WeakPolarHBondContact CB-CD2 3.35Å; F277-H414 WeakPolarHBondContact CB-NE2 3.28Å; F277-H414 AromaticContact CD1-CD2 3.73Å; F277-H414 HydrophobicContact CD2-CB 3.54Å; F277-H414 AromaticContact CD2-CD2 3.77Å; F277-H414 AromaticContact CD2-CG 3.74Å; F277-H414 HydrophobicContact CE2-CB 4.05Å; F277-H414 HydrophobicContact CG-CB 4.05Å; F277-H414 AromaticContact CG-CD2 3.31Å; F277-H414 WeakPolarHBondContact CG-CD2 3.21Å; F277-H414 AromaticContact CG-CG 3.69Å; F277-H414 AromaticContact CG-NE2 3.94Å; F277-L433 HydrophobicContact CD2-CB 4.22Å; F277-L433 HydrophobicContact CD2-CD1 3.98Å; F277-L433 HydrophobicContact CD2-CG 4.42Å; F277-L433 HydrophobicContact CE2-CB 4.31Å; F277-L433 HydrophobicContact CE2-CD1 3.53Å; F277-L433 HydrophobicContact CE2-CG 4.03Å; F277-L433 HydrophobicContact CZ-CD1 4.43Å; F277-V435 HydrophobicContact CB-CB 4.35Å; F277-V435 HydrophobicContact CB-CG1 4.35Å
278	S	98.3	Very high	97.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-39.5	-179.4	-53.3	0	0	0	0	111.5	L270 G274 R275 Q276 L281 A282 T306	L270-S278 WeakPolarHBondContact CD1-OG 3.29Å; G274-S278 PolarHBondContact O-N 3.36Å; G274-S278 PolarHBondContact O-OG 2.98Å; R275-S278 PolarHBondContact O-N 3.08Å; R275-S278 VanDerWaalsContact O-N 3.16Å; Q276-S278 VanDerWaalsContact C-N 3.34Å; S278-L281 PolarHBondContact O-N 3.41Å; S278-A282 PolarHBondContact O-N 3.46Å; S278-A282 VanDerWaalsContact O-N 3.09Å; S278-T306 WeakPolarHBondContact OG-CA 3.37Å; S278-T306 PolarHBondContact OG-OG1 3.21Å; S278-T306 VanDerWaalsContact OG-OG1 3.09Å
279	A	98.1	Very high	97	Very high	44 Å²	44	59.5 Å²	59.5	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-67.3	-38	171.7	0	0	0	0	0	113.1	R275 Q276 F277 L281 A282 R283	R275-A279 PolarHBondContact O-N 2.79Å; Q276-A279 PolarHBondContact O-N 3.01Å; F277-A279 VanDerWaalsContact C-N 3.3Å; F277-A279 PolarHBondContact O-N 3.13Å; A279-L281 VanDerWaalsContact C-N 3.35Å; A279-A282 PolarHBondContact O-N 3.39Å; A279-R283 PolarHBondContact O-N 2.99Å
280	A	98.3	Very high	96.5	Very high	8 Å²	8	61 Å²	61	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-67.1	-36.5	175	0	0	0	0	0	112.2	Q276 F277 R283 F284 L433 V435	Q276-A280 PolarHBondContact O-N 3.43Å; F277-A280 CarbonylContact O-C 3.56Å; F277-A280 PolarHBondContact O-N 2.91Å; F277-A280 VanDerWaalsContact O-N 3.08Å; A280-R283 PolarHBondContact O-N 2.96Å; A280-F284 WeakPolarHBondContact O-CB 3.41Å; A280-F284 PolarHBondContact O-N 2.98Å; A280-L433 HydrophobicContact CB-CB 4.07Å; A280-L433 HydrophobicContact CB-CD1 4.31Å; A280-V435 HydrophobicContact CB-CG2 4.26Å
281	L	98.4	Very high	95.9	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-42.4	175.6	-176.2	66	0	0	0	111.2	F277 S278 A279 F284 V285 T306 L310 L383 V416 L433	F277-L281 HydrophobicContact CE1-CD2 4.25Å; F277-L281 HydrophobicContact CZ-CB 4.36Å; F277-L281 HydrophobicContact CZ-CD1 4.42Å; F277-L281 HydrophobicContact CZ-CD2 4.22Å; F277-L281 WeakPolarHBondContact O-CB 3.46Å; F277-L281 PolarHBondContact O-N 3.24Å; S278-L281 PolarHBondContact O-N 3.41Å; A279-L281 VanDerWaalsContact C-N 3.35Å; L281-F284 HydrophobicContact CD1-CD1 4.29Å; L281-F284 WeakPolarHBondContact O-CB 3.37Å; L281-F284 PolarHBondContact O-N 3.11Å; L281-V285 WeakPolarHBondContact O-CG2 3.22Å; L281-V285 PolarHBondContact O-N 3.44Å; L281-T306 HydrophobicContact CD2-CG2 3.79Å; L281-L310 HydrophobicContact CB-CD2 4.43Å; L281-L310 HydrophobicContact CD2-CD2 4.22Å; L281-L310 HydrophobicContact CG-CD2 3.99Å; L281-L383 HydrophobicContact CD2-CD2 4.46Å; L281-V416 HydrophobicContact CD1-CG2 3.56Å; L281-L433 VanDerWaalsContact CA-CD1 3.49Å; L281-L433 HydrophobicContact CB-CD1 3.91Å; L281-L433 HydrophobicContact CD1-CD1 3.96Å
282	A	97.4	Very high	95.4	Very high	15 Å²	15	75.1 Å²	75.1	12%	0.124	35%	0.354	C	S	.	.	H	α-helix	trans	-56.5	-51.3	174.5	0	0	0	0	0	111.7	S278 A279 F284 V285 D286 H309 L310	S278-A282 PolarHBondContact O-N 3.46Å; S278-A282 VanDerWaalsContact O-N 3.09Å; A279-A282 PolarHBondContact O-N 3.39Å; A282-F284 VanDerWaalsContact C-N 3.33Å; A282-F284 PolarHBondContact O-N 2.76Å; A282-V285 PolarHBondContact O-N 3.05Å; A282-V285 VanDerWaalsContact O-N 3.16Å; A282-D286 PolarHBondContact O-N 2.92Å; A282-H309 WeakPolarHBondContact CB-O 3.46Å; A282-L310 HydrophobicContact CB-CD2 3.97Å
283	R	96.9	Very high	95.2	Very high	160 Å²	160	69.3 Å²	69.3	60%	0.604	33%	0.328	S	S	*	.	H	α-helix	trans	-58.6	-43.8	175.8	-67	-172.9	-61.3	-148.4	0.4	112.5	A279 A280 V285 D286 E287	A279-R283 PolarHBondContact O-N 2.99Å; A280-R283 PolarHBondContact O-N 2.96Å; R283-V285 VanDerWaalsContact C-N 3.34Å; R283-V285 PolarHBondContact O-N 3.34Å; R283-D286 PolarHBondContact O-N 3.33Å; R283-E287 WeakPolarHBondContact O-CB 2.89Å; R283-E287 VanDerWaalsContact O-CG 3.28Å; R283-E287 WeakPolarHBondContact O-CG 3.35Å; R283-E287 PolarHBondContact O-N 3.32Å
284	F	97	Very high	95.2	Very high	15 Å²	15	69.3 Å²	69.3	7%	0.066	33%	0.33	C	S	.	.	H	α-helix	trans	-59.1	-45.5	176.9	168.9	-96.8	0	0	0	111.6	Y249 A280 L281 A282 E287 Q288 V416 I431 L433	Y249-F284 AromaticContact CD1-CE1 3.99Å; Y249-F284 HydrophobicContact CD1-CE1 3.99Å; Y249-F284 HydrophobicContact CD1-CZ 4.26Å; Y249-F284 AromaticContact CE1-CE1 3.92Å; Y249-F284 HydrophobicContact CE1-CE1 3.92Å; Y249-F284 AromaticContact CE1-CZ 3.88Å; Y249-F284 HydrophobicContact CE1-CZ 3.88Å; A280-F284 WeakPolarHBondContact O-CB 3.41Å; A280-F284 PolarHBondContact O-N 2.98Å; L281-F284 HydrophobicContact CD1-CD1 4.29Å; L281-F284 WeakPolarHBondContact O-CB 3.37Å; L281-F284 PolarHBondContact O-N 3.11Å; A282-F284 VanDerWaalsContact C-N 3.33Å; A282-F284 PolarHBondContact O-N 2.76Å; F284-E287 PolarHBondContact O-N 2.76Å; F284-Q288 HydrophobicContact CD1-CG 4.47Å; F284-Q288 HydrophobicContact CE1-CG 3.98Å; F284-Q288 HydrophobicContact CE2-CG 4.25Å; F284-Q288 HydrophobicContact CZ-CG 3.87Å; F284-Q288 WeakPolarHBondContact O-CG 3.11Å; F284-Q288 PolarHBondContact O-N 3.16Å; F284-V416 HydrophobicContact CD1-CG2 4.35Å; F284-V416 HydrophobicContact CE1-CB 4.39Å; F284-V416 HydrophobicContact CE1-CG1 3.96Å; F284-V416 HydrophobicContact CE1-CG2 4.31Å; F284-V416 HydrophobicContact CZ-CG1 4.36Å; F284-I431 HydrophobicContact CD2-CG2 4.36Å; F284-I431 HydrophobicContact CE2-CD1 3.8Å; F284-I431 HydrophobicContact CE2-CG2 3.94Å; F284-I431 HydrophobicContact CZ-CD1 3.73Å; F284-L433 HydrophobicContact CB-CD1 4.28Å; F284-L433 HydrophobicContact CB-CD2 4.05Å; F284-L433 HydrophobicContact CD2-CD2 4.07Å; F284-L433 HydrophobicContact CG-CD2 4.04Å
285	V	95.6	Very high	95.2	Very high	22 Å²	22	69.4 Å²	69.4	13%	0.133	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-44.8	178.4	170	0	0	0	0	111	L281 A282 R283 E287 Q288 L293 L310 L383	L281-V285 WeakPolarHBondContact O-CG2 3.22Å; L281-V285 PolarHBondContact O-N 3.44Å; A282-V285 PolarHBondContact O-N 3.05Å; A282-V285 VanDerWaalsContact O-N 3.16Å; R283-V285 VanDerWaalsContact C-N 3.34Å; R283-V285 PolarHBondContact O-N 3.34Å; V285-E287 VanDerWaalsContact C-N 3.31Å; V285-E287 PolarHBondContact O-N 2.8Å; V285-Q288 PolarHBondContact O-N 2.95Å; V285-Q288 VanDerWaalsContact O-N 3.12Å; V285-L293 HydrophobicContact CG1-CD2 3.4Å; V285-L293 VanDerWaalsContact CG1-CD2 3.4Å; V285-L293 HydrophobicContact CG2-CD2 4.42Å; V285-L310 HydrophobicContact CG2-CD2 4.31Å; V285-L383 HydrophobicContact CG2-CD2 3.94Å
286	D	94.3	Very high	95.2	Very high	113 Å²	113	62.4 Å²	62.4	60%	0.604	30%	0.304	S	S	*	.	H	α-helix	trans	-59.8	-41.7	177.4	-68.1	-23.4	0	0	0	111.7	A282 R283 Q288 Q289	A282-D286 PolarHBondContact O-N 2.92Å; R283-D286 PolarHBondContact O-N 3.33Å; D286-Q288 VanDerWaalsContact C-N 3.28Å; D286-Q288 PolarHBondContact O-N 3.29Å; D286-Q289 PolarHBondContact O-N 2.79Å
287	E	95.2	Very high	95.2	Very high	142 Å²	142	57.7 Å²	57.7	66%	0.664	28%	0.282	S	S	*	.	H	α-helix	trans	-64.5	-27.9	176.8	-74.1	169.2	-169.2	0	0	113.3	R283 F284 V285 Q289	R283-E287 WeakPolarHBondContact O-CB 2.89Å; R283-E287 VanDerWaalsContact O-CG 3.28Å; R283-E287 WeakPolarHBondContact O-CG 3.35Å; R283-E287 PolarHBondContact O-N 3.32Å; F284-E287 PolarHBondContact O-N 2.76Å; V285-E287 VanDerWaalsContact C-N 3.31Å; V285-E287 PolarHBondContact O-N 2.8Å; E287-Q289 PolarHBondContact O-N 3.27Å
288	Q	92.8	Very high	95.2	Very high	56 Å²	56	57.7 Å²	57.7	26%	0.262	28%	0.282	S	S	.	.	H	α-helix	trans	-72.5	-17.1	177.1	-62.2	-53.1	-78.2	0	0	113	Y249 F284 V285 D286 L290	Y249-Q288 HydrophobicContact CE1-CG 4.34Å; Y249-Q288 PolarHBondContact OH-OE1 3.36Å; Y249-Q288 VanDerWaalsContact OH-OE1 3.14Å; F284-Q288 HydrophobicContact CD1-CG 4.47Å; F284-Q288 HydrophobicContact CE1-CG 3.98Å; F284-Q288 HydrophobicContact CE2-CG 4.25Å; F284-Q288 HydrophobicContact CZ-CG 3.87Å; F284-Q288 WeakPolarHBondContact O-CG 3.11Å; F284-Q288 PolarHBondContact O-N 3.16Å; V285-Q288 PolarHBondContact O-N 2.95Å; V285-Q288 VanDerWaalsContact O-N 3.12Å; D286-Q288 VanDerWaalsContact C-N 3.28Å; D286-Q288 PolarHBondContact O-N 3.29Å; Q288-L290 HydrophobicContact CB-CD1 3.86Å; Q288-L290 HydrophobicContact CB-CD2 4.17Å; Q288-L290 HydrophobicContact CB-CG 3.62Å; Q288-L290 HydrophobicContact CG-CD1 4.45Å; Q288-L290 PolarHBondContact O-N 2.93Å
289	Q	89.5	Confident	95.2	Very high	173 Å²	173	61.9 Å²	61.9	81%	0.808	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	41.3	-179.8	-60.9	-173.2	-14.3	0	0	113.7	D286 E287	D286-Q289 PolarHBondContact O-N 2.79Å; E287-Q289 PolarHBondContact O-N 3.27Å
290	L	87.6	Confident	95.2	Very high	46 Å²	46	61 Å²	61	24%	0.241	29%	0.291	C	S	.	.			trans	-75.5	131	-176	-60.2	168.6	0	0	0	110.6	Y249 Q288 L293	Y249-L290 HydrophobicContact CD2-CD1 4.15Å; Y249-L290 HydrophobicContact CE2-CD1 3.31Å; Y249-L290 HydrophobicContact CE2-CD2 4.38Å; Y249-L290 HydrophobicContact CE2-CG 4.47Å; Q288-L290 HydrophobicContact CB-CD1 3.86Å; Q288-L290 HydrophobicContact CB-CD2 4.17Å; Q288-L290 HydrophobicContact CB-CG 3.62Å; Q288-L290 HydrophobicContact CG-CD1 4.45Å; Q288-L290 PolarHBondContact O-N 2.93Å; L290-L293 HydrophobicContact CB-CB 4.25Å; L290-L293 HydrophobicContact CD1-CD1 4.04Å; L290-L293 HydrophobicContact CD1-CD2 4.31Å
291	K	85.3	Confident	95.2	Very high	168 Å²	168	62.5 Å²	62.5	73%	0.73	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	139.2	168.2	-63	-176.3	-179.5	-177.8	0	109.5	L293 N381	K291-L293 VanDerWaalsContact C-N 3.26Å; K291-L293 PolarHBondContact O-N 2.89Å; K291-N381 PolarHBondContact O-ND2 3.5Å
292	D	88.3	Confident	95.2	Very high	143 Å²	143	62.7 Å²	62.7	77%	0.765	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	38.6	171	-54.3	-46.8	0	0	0	114.4	K294	D292-K294 PolarHBondContact O-N 3.33Å
293	L	94.5	Very high	95.3	Very high	35 Å²	35	62 Å²	62	18%	0.183	30%	0.295	C	S	.	.			trans	-63.4	120.6	176.7	177.9	66.5	0	0	0	110.5	V285 L290 K291 V295 N381 L383	V285-L293 HydrophobicContact CG1-CD2 3.4Å; V285-L293 VanDerWaalsContact CG1-CD2 3.4Å; V285-L293 HydrophobicContact CG2-CD2 4.42Å; L290-L293 HydrophobicContact CB-CB 4.25Å; L290-L293 HydrophobicContact CD1-CD1 4.04Å; L290-L293 HydrophobicContact CD1-CD2 4.31Å; K291-L293 VanDerWaalsContact C-N 3.26Å; K291-L293 PolarHBondContact O-N 2.89Å; L293-V295 HydrophobicContact CD2-CG2 4.37Å; L293-V295 HydrophobicContact CG-CG2 4.38Å; L293-N381 HydrophobicContact CD1-CB 4.22Å; L293-L383 HydrophobicContact CD1-CB 4.05Å; L293-L383 HydrophobicContact CD2-CB 4.39Å
294	K	97.1	Very high	95.4	Very high	70 Å²	70	55.8 Å²	55.8	30%	0.304	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	137.7	167.8	-63.3	-168.4	176.7	-173	0	110.6	D292 Q379 N381 V382 L383	D292-K294 PolarHBondContact O-N 3.33Å; K294-Q379 HydrophobicContact CD-CG 4.27Å; K294-N381 PolarHBondContact N-O 2.77Å; K294-V382 HydrophobicContact CB-CG2 4.4Å; K294-V382 CarbonylContact O-C 3.58Å; K294-V382 WeakPolarHBondContact O-CA 3.43Å; K294-L383 PolarHBondContact O-N 3.13Å
295	V	98.3	Very high	95.4	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.2	176.4	-177.5	0	0	0	0	109.6	L293 A307 L310 V312 Y314 E315 L383	L293-V295 HydrophobicContact CD2-CG2 4.37Å; L293-V295 HydrophobicContact CG-CG2 4.38Å; V295-A307 HydrophobicContact CG1-CB 4.12Å; V295-L310 HydrophobicContact CG1-CD1 3.86Å; V295-L310 HydrophobicContact CG2-CD1 4.01Å; V295-V312 HydrophobicContact CG2-CG2 3.65Å; V295-Y314 CarbonylContact O-C 3.58Å; V295-Y314 WeakPolarHBondContact O-CA 3.38Å; V295-Y314 WeakPolarHBondContact O-CB 2.82Å; V295-E315 PolarHBondContact O-N 3.21Å; V295-L383 CarbonylContact C-O 3.52Å; V295-L383 WeakPolarHBondContact CA-O 3.3Å; V295-L383 HydrophobicContact CG1-CD2 4.47Å; V295-L383 HydrophobicContact CG2-CB 4.44Å; V295-L383 HydrophobicContact CG2-CD2 4.43Å
296	W	98.8	Very high	95.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.5	176.8	-61.3	-15.4	0	0	0	111.5	E315 W317 L320 V372 E375 L376 Q379 V382 L383 V384 V385	W296-E315 WeakPolarHBondContact CA-O 3.44Å; W296-E315 PolarHBondContact NE1-OE2 3.06Å; W296-W317 AromaticContact CD1-NE1 3.87Å; W296-W317 AromaticContact CG-NE1 3.91Å; W296-W317 HydrophobicContact CZ2-CZ2 4.39Å; W296-L320 HydrophobicContact CB-CD1 4.06Å; W296-V372 HydrophobicContact CE3-CG1 4.16Å; W296-V372 HydrophobicContact CZ3-CG1 3.93Å; W296-E375 HydrophobicContact CH2-CB 3.64Å; W296-E375 HydrophobicContact CH2-CG 3.38Å; W296-E375 HydrophobicContact CZ2-CB 4.32Å; W296-E375 HydrophobicContact CZ2-CG 3.56Å; W296-E375 HydrophobicContact CZ3-CB 4.34Å; W296-E375 HydrophobicContact CZ3-CG 4.42Å; W296-L376 HydrophobicContact CE3-CD2 4.02Å; W296-L376 HydrophobicContact CE3-CG 4.49Å; W296-L376 HydrophobicContact CH2-CD2 3.87Å; W296-L376 HydrophobicContact CH2-CG 4.16Å; W296-L376 HydrophobicContact CZ3-CD2 3.4Å; W296-L376 HydrophobicContact CZ3-CG 3.6Å; W296-Q379 HydrophobicContact CH2-CG 4.13Å; W296-Q379 HydrophobicContact CZ2-CG 3.81Å; W296-V382 HydrophobicContact CD2-CG1 3.8Å; W296-V382 HydrophobicContact CE3-CG1 4.01Å; W296-V382 HydrophobicContact CG-CG1 4.24Å; W296-V382 HydrophobicContact CH2-CG1 4.4Å; W296-V382 HydrophobicContact CZ2-CG1 4.27Å; W296-V382 HydrophobicContact CZ3-CG1 4.34Å; W296-L383 PolarHBondContact N-O 3.07Å; W296-V384 HydrophobicContact CE3-CG2 4.09Å; W296-V385 PolarHBondContact O-N 2.78Å
297	T	98.8	Very high	95.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	162.5	-179.5	58.2	0	0	0	0	110.3	A307 Y314 E315 Q316 W317 V385	T297-A307 HydrophobicContact CG2-CB 3.32Å; T297-Y314 HydrophobicContact CG2-CD2 3.93Å; T297-Y314 HydrophobicContact CG2-CG 4.42Å; T297-E315 PolarHBondContact N-O 3.01Å; T297-E315 PolarHBondContact OG1-O 3.45Å; T297-Q316 WeakPolarHBondContact OG1-CG 3.45Å; T297-W317 PolarHBondContact O-N 3.15Å; T297-V385 WeakPolarHBondContact CA-O 3.33Å; T297-V385 HydrophobicContact CG2-CB 4.36Å
298	S	98.6	Very high	95.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.243	C	C	.	.			trans	-76.9	179.1	160	87.4	0	0	0	0	111.1	L300 S303 L320 N321 H387	S298-L300 VanDerWaalsContact C-N 3.26Å; S298-L300 WeakPolarHBondContact OG-CB 3.27Å; S298-L300 PolarHBondContact OG-N 3.27Å; S298-S303 PolarHBondContact N-OG 2.83Å; S298-S303 PolarHBondContact O-OG 3.36Å; S298-S303 PolarHBondContact OG-OG 2.94Å; S298-L320 WeakPolarHBondContact CB-O 3.31Å; S298-N321 WeakPolarHBondContact CB-OD1 3.49Å; S298-H387 VanDerWaalsContact CB-NE2 3.33Å; S298-H387 WeakPolarHBondContact CB-NE2 3.47Å; S298-H387 PolarHBondContact OG-NE2 3.02Å
299	Q	98.6	Very high	95.9	Very high	87 Å²	87	51.6 Å²	51.6	41%	0.407	25%	0.249	S	C	.	.	S	Bend	trans	-85.7	4.5	173.5	-67.8	-179	-23.4	0	0	113.1	Q316 K318 N321	Q299-Q316 HydrophobicContact CG-CB 4.16Å; Q299-K318 HydrophobicContact CG-CB 4.44Å; Q299-N321 PolarHBondContact N-OD1 3.18Å
300	L	98.5	Very high	96.2	Very high	27 Å²	27	44.1 Å²	44.1	14%	0.141	21%	0.214	C	C	.	.	S	Bend	trans	-86.2	139.5	-179.4	-58.4	-177.3	0	0	0	111	D267 S298 R302 S303 I304 N321 E322	D267-L300 HydrophobicContact CB-CD2 4.42Å; D267-L300 VanDerWaalsContact OD1-CA 3.26Å; D267-L300 WeakPolarHBondContact OD1-CA 3.44Å; D267-L300 WeakPolarHBondContact OD1-CB 3.27Å; S298-L300 VanDerWaalsContact C-N 3.26Å; S298-L300 WeakPolarHBondContact OG-CB 3.27Å; S298-L300 PolarHBondContact OG-N 3.27Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 VanDerWaalsContact CD1-NH2 3.33Å; L300-R302 PolarHBondContact O-N 3.23Å; L300-R302 VanDerWaalsContact O-N 3.12Å; L300-S303 PolarHBondContact O-N 3.35Å; L300-S303 VanDerWaalsContact O-N 3.08Å; L300-S303 PolarHBondContact O-OG 3.18Å; L300-I304 PolarHBondContact O-N 3.38Å; L300-N321 HydrophobicContact CD1-CB 4.41Å; L300-N321 HydrophobicContact CG-CB 4.45Å; L300-E322 HydrophobicContact CD1-CB 4.23Å
301	C	98.1	Very high	96.4	Very high	38 Å²	38	45.4 Å²	45.4	26%	0.257	24%	0.239	S	C	.	.	H	α-helix	trans	-48.4	-45.4	-172.7	-179.4	0	0	0	0	112.6	D267 S303 I304 Q305	D267-C301 WeakPolarHBondContact OD1-CB 3.45Å; D267-C301 PolarHBondContact OD1-N 3.24Å; C301-S303 PolarHBondContact O-N 3.42Å; C301-I304 PolarHBondContact O-N 3.05Å; C301-Q305 WeakPolarHBondContact O-CB 3.41Å; C301-Q305 VanDerWaalsContact O-CG 3.26Å; C301-Q305 WeakPolarHBondContact O-CG 3.44Å; C301-Q305 PolarHBondContact O-N 3.08Å; C301-Q305 VanDerWaalsContact SG-CD 3.59Å; C301-Q305 PolarHBondContact SG-NE2 3.38Å; C301-Q305 VanDerWaalsContact SG-NE2 3.45Å
302	R	98.4	Very high	96.8	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-39.6	-179.4	58.9	-164.7	-175.8	-88	5.4	114.9	H253 G266 L270 L300 T306 H387	H253-R302 HydrophobicContact CB-CB 4.06Å; H253-R302 HydrophobicContact CB-CG 3.97Å; H253-R302 PolarHBondContact CD2-NE 3.43Å; H253-R302 WeakPolarHBondContact CE1-CD 3.41Å; H253-R302 PolarHBondContact CE1-NE 3.26Å; H253-R302 WeakPolarHBondContact NE2-CD 3.35Å; H253-R302 PolarHBondContact NE2-NE 3.22Å; G266-R302 PolarHBondContact O-NH1 3.04Å; L270-R302 HydrophobicContact CD2-CB 4.09Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 VanDerWaalsContact CD1-NH2 3.33Å; L300-R302 PolarHBondContact O-N 3.23Å; L300-R302 VanDerWaalsContact O-N 3.12Å; R302-T306 PolarHBondContact O-N 2.86Å; R302-T306 PolarHBondContact O-OG1 2.99Å; R302-H387 VanDerWaalsContact CZ-CE1 3.46Å; R302-H387 PolarHBondContact NE-CE1 3.41Å; R302-H387 PolarHBondContact NE-ND1 3.15Å; R302-H387 PolarHBondContact NH2-CE1 3.49Å; R302-H387 PolarHBondContact NH2-ND1 2.99Å
303	S	98.4	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-74.6	-38.6	177.6	52.6	0	0	0	0	111.5	S298 L300 C301 T306 A307	S298-S303 PolarHBondContact N-OG 2.83Å; S298-S303 PolarHBondContact O-OG 3.36Å; S298-S303 PolarHBondContact OG-OG 2.94Å; L300-S303 PolarHBondContact O-N 3.35Å; L300-S303 VanDerWaalsContact O-N 3.08Å; L300-S303 PolarHBondContact O-OG 3.18Å; C301-S303 PolarHBondContact O-N 3.42Å; S303-T306 PolarHBondContact O-N 3.42Å; S303-A307 PolarHBondContact O-N 2.99Å
304	I	98.8	Very high	97.3	Very high	30 Å²	30	40.3 Å²	40.3	15%	0.154	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-50.8	176.4	-64.1	169.4	0	0	0	109.5	L300 C301 T306 A307 E308 Y314 Q316	L300-I304 PolarHBondContact O-N 3.38Å; C301-I304 PolarHBondContact O-N 3.05Å; I304-T306 PolarHBondContact O-N 3.01Å; I304-A307 PolarHBondContact O-N 3.37Å; I304-E308 HydrophobicContact CG2-CG 4.22Å; I304-E308 WeakPolarHBondContact O-CG 3.47Å; I304-E308 PolarHBondContact O-N 3.26Å; I304-Y314 HydrophobicContact CG2-CE2 4.17Å; I304-Y314 WeakPolarHBondContact CG2-OH 3.41Å; I304-Q316 HydrophobicContact CG1-CG 4.46Å
305	Q	98.6	Very high	97.4	Very high	65 Å²	65	41.1 Å²	41.1	30%	0.304	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-34.5	177.4	-75.6	179.6	-16.5	0	0	112.9	G269 L270 C301 H309	G269-Q305 VanDerWaalsContact CA-OE1 3.26Å; L270-Q305 HydrophobicContact CD1-CB 3.63Å; L270-Q305 HydrophobicContact CG-CB 3.85Å; C301-Q305 WeakPolarHBondContact O-CB 3.41Å; C301-Q305 VanDerWaalsContact O-CG 3.26Å; C301-Q305 WeakPolarHBondContact O-CG 3.44Å; C301-Q305 PolarHBondContact O-N 3.08Å; C301-Q305 VanDerWaalsContact SG-CD 3.59Å; C301-Q305 PolarHBondContact SG-NE2 3.38Å; C301-Q305 VanDerWaalsContact SG-NE2 3.45Å; Q305-H309 PolarHBondContact O-ND1 2.87Å
306	T	98.6	Very high	97.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68	-42.8	174.4	-69.9	0	0	0	0	112	G254 F277 S278 L281 R302 S303 I304 H309 V385	G254-T306 PolarHBondContact N-OG1 2.86Å; F277-T306 HydrophobicContact CD1-CG2 4.43Å; F277-T306 HydrophobicContact CE1-CG2 4.07Å; S278-T306 WeakPolarHBondContact OG-CA 3.37Å; S278-T306 PolarHBondContact OG-OG1 3.21Å; S278-T306 VanDerWaalsContact OG-OG1 3.09Å; L281-T306 HydrophobicContact CD2-CG2 3.79Å; R302-T306 PolarHBondContact O-N 2.86Å; R302-T306 PolarHBondContact O-OG1 2.99Å; S303-T306 PolarHBondContact O-N 3.42Å; I304-T306 PolarHBondContact O-N 3.01Å; T306-H309 PolarHBondContact O-N 3.27Å; T306-V385 HydrophobicContact CG2-CG1 3.77Å
307	A	97.9	Very high	97.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.9	-34.2	178.6	0	0	0	0	0	113.5	V295 T297 S303 I304 H309 L310 Y314	V295-A307 HydrophobicContact CG1-CB 4.12Å; T297-A307 HydrophobicContact CG2-CB 3.32Å; S303-A307 PolarHBondContact O-N 2.99Å; I304-A307 PolarHBondContact O-N 3.37Å; A307-H309 PolarHBondContact O-N 3.26Å; A307-L310 VanDerWaalsContact O-CB 3.22Å; A307-L310 WeakPolarHBondContact O-CB 3.41Å; A307-L310 WeakPolarHBondContact O-CG 3.05Å; A307-L310 PolarHBondContact O-N 3.33Å; A307-Y314 HydrophobicContact CB-CD1 4.16Å; A307-Y314 HydrophobicContact CB-CD2 4.4Å; A307-Y314 HydrophobicContact CB-CG 4.03Å
308	E	97.4	Very high	97.4	Very high	109 Å²	109	55.1 Å²	55.1	51%	0.509	29%	0.29	S	S	.	.	H	α-helix	trans	-55.6	-33	175.7	-77.4	-70	161.8	0	0	112.6	I304 L310 G311 Y314	I304-E308 HydrophobicContact CG2-CG 4.22Å; I304-E308 WeakPolarHBondContact O-CG 3.47Å; I304-E308 PolarHBondContact O-N 3.26Å; E308-L310 PolarHBondContact O-N 3.03Å; E308-G311 PolarHBondContact O-N 2.94Å; E308-Y314 HydrophobicContact CG-CE1 4.18Å; E308-Y314 WeakPolarHBondContact OE1-CE1 3.44Å; E308-Y314 PolarHBondContact OE1-OH 3.41Å
309	H	94.5	Very high	97.4	Very high	85 Å²	85	56.1 Å²	56.1	39%	0.394	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.8	177.1	-73.8	75	0	0	0	113.6	A282 Q305 T306 A307 G311	A282-H309 WeakPolarHBondContact CB-O 3.46Å; Q305-H309 PolarHBondContact O-ND1 2.87Å; T306-H309 PolarHBondContact O-N 3.27Å; A307-H309 PolarHBondContact O-N 3.26Å; H309-G311 VanDerWaalsContact C-N 3.27Å
310	L	94.6	Very high	97.4	Very high	16 Å²	16	52 Å²	52	8%	0.084	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.2	177.4	-54.6	177	0	0	0	111.9	L281 A282 V285 V295 A307 E308 V312 L383	L281-L310 HydrophobicContact CB-CD2 4.43Å; L281-L310 HydrophobicContact CD2-CD2 4.22Å; L281-L310 HydrophobicContact CG-CD2 3.99Å; A282-L310 HydrophobicContact CB-CD2 3.97Å; V285-L310 HydrophobicContact CG2-CD2 4.31Å; V295-L310 HydrophobicContact CG1-CD1 3.86Å; V295-L310 HydrophobicContact CG2-CD1 4.01Å; A307-L310 VanDerWaalsContact O-CB 3.22Å; A307-L310 WeakPolarHBondContact O-CB 3.41Å; A307-L310 WeakPolarHBondContact O-CG 3.05Å; A307-L310 PolarHBondContact O-N 3.33Å; E308-L310 PolarHBondContact O-N 3.03Å; L310-V312 HydrophobicContact CB-CG2 3.87Å; L310-V312 PolarHBondContact O-N 2.88Å; L310-L383 HydrophobicContact CD1-CD2 3.73Å
311	G	92.7	Very high	97.4	Very high	73 Å²	73	52.1 Å²	52.1	75%	0.753	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	18.1	-179.4	0	0	0	0	0	114.7	E308 H309	E308-G311 PolarHBondContact O-N 2.94Å; H309-G311 VanDerWaalsContact C-N 3.27Å
312	V	93.2	Very high	97.4	Very high	60 Å²	60	52 Å²	52	36%	0.364	28%	0.275	S	S	.	.	S	Bend	trans	-118.6	156.4	179.2	-60.5	0	0	0	0	111.2	V295 L310 Y314	V295-V312 HydrophobicContact CG2-CG2 3.65Å; L310-V312 HydrophobicContact CB-CG2 3.87Å; L310-V312 PolarHBondContact O-N 2.88Å; V312-Y314 PolarHBondContact O-N 3Å
313	P	96.3	Very high	97.4	Very high	124 Å²	124	52.7 Å²	52.7	81%	0.805	28%	0.28	S	S	*	.			trans	-57.7	138.6	173.2	-22.7	33.8	0	0	0	111.5
314	Y	97.8	Very high	97.4	Very high	56 Å²	56	56.1 Å²	56.1	22%	0.22	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	154.8	176.4	64.5	-89.9	0	0	0	111	V295 T297 I304 A307 E308 V312 Q316	V295-Y314 CarbonylContact O-C 3.58Å; V295-Y314 WeakPolarHBondContact O-CA 3.38Å; V295-Y314 WeakPolarHBondContact O-CB 2.82Å; T297-Y314 HydrophobicContact CG2-CD2 3.93Å; T297-Y314 HydrophobicContact CG2-CG 4.42Å; I304-Y314 HydrophobicContact CG2-CE2 4.17Å; I304-Y314 WeakPolarHBondContact CG2-OH 3.41Å; A307-Y314 HydrophobicContact CB-CD1 4.16Å; A307-Y314 HydrophobicContact CB-CD2 4.4Å; A307-Y314 HydrophobicContact CB-CG 4.03Å; E308-Y314 HydrophobicContact CG-CE1 4.18Å; E308-Y314 WeakPolarHBondContact OE1-CE1 3.44Å; E308-Y314 PolarHBondContact OE1-OH 3.41Å; V312-Y314 PolarHBondContact O-N 3Å; Y314-Q316 HydrophobicContact CD2-CG 4.14Å; Y314-Q316 HydrophobicContact CE2-CG 3.8Å
315	E	98.4	Very high	97.3	Very high	86 Å²	86	54.8 Å²	54.8	40%	0.402	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	138.4	178.5	-61.1	171.7	-151	0	0	110.2	V295 W296 T297 W317	V295-E315 PolarHBondContact O-N 3.21Å; W296-E315 WeakPolarHBondContact CA-O 3.44Å; W296-E315 PolarHBondContact NE1-OE2 3.06Å; T297-E315 PolarHBondContact N-O 3.01Å; T297-E315 PolarHBondContact OG1-O 3.45Å; E315-W317 PolarHBondContact OE2-NE1 3.34Å
316	Q	98.6	Very high	97.2	Very high	91 Å²	91	52.4 Å²	52.4	43%	0.425	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124	179.1	-60.8	-178	24.5	0	0	110.5	T297 Q299 I304 Y314	T297-Q316 WeakPolarHBondContact OG1-CG 3.45Å; Q299-Q316 HydrophobicContact CG-CB 4.16Å; I304-Q316 HydrophobicContact CG1-CG 4.46Å; Y314-Q316 HydrophobicContact CD2-CG 4.14Å; Y314-Q316 HydrophobicContact CE2-CG 3.8Å
317	W	98.6	Very high	97.1	Very high	60 Å²	60	57.2 Å²	57.2	23%	0.227	31%	0.309	C	S	.	.			trans	-117.6	114	-178.5	-68.7	65.6	0	0	0	109.6	W296 T297 E315 A319 L320 V372 E375	W296-W317 AromaticContact CD1-NE1 3.87Å; W296-W317 AromaticContact CG-NE1 3.91Å; W296-W317 HydrophobicContact CZ2-CZ2 4.39Å; T297-W317 PolarHBondContact O-N 3.15Å; E315-W317 PolarHBondContact OE2-NE1 3.34Å; W317-A319 PolarHBondContact O-N 3.16Å; W317-A319 VanDerWaalsContact O-N 3.17Å; W317-L320 HydrophobicContact CB-CB 4.22Å; W317-L320 HydrophobicContact CB-CD1 3.95Å; W317-L320 HydrophobicContact CB-CG 3.94Å; W317-L320 HydrophobicContact CG-CD1 4.37Å; W317-L320 WeakPolarHBondContact O-CB 3.49Å; W317-L320 PolarHBondContact O-N 2.95Å; W317-V372 HydrophobicContact CE3-CG2 3.92Å; W317-V372 HydrophobicContact CZ3-CG2 4.38Å; W317-E375 HydrophobicContact CH2-CB 3.94Å; W317-E375 HydrophobicContact CH2-CG 3.89Å; W317-E375 HydrophobicContact CZ2-CG 4.11Å
318	K	98.4	Very high	97	Very high	146 Å²	146	57.2 Å²	57.2	64%	0.635	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-56.4	-33.1	173.2	-170.8	174.3	177.8	-179.9	0	112.1	Q299 L320 N321	Q299-K318 HydrophobicContact CG-CB 4.44Å; K318-L320 PolarHBondContact O-N 3.41Å; K318-L320 VanDerWaalsContact O-N 3.16Å; K318-N321 WeakPolarHBondContact O-CB 3.36Å; K318-N321 PolarHBondContact O-N 3.33Å
319	A	98.3	Very high	96.9	Very high	20 Å²	20	54.6 Å²	54.6	17%	0.165	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-60.4	-20	175.4	0	0	0	0	0	113.6	W317 R368 V372	W317-A319 PolarHBondContact O-N 3.16Å; W317-A319 VanDerWaalsContact O-N 3.17Å; A319-R368 VanDerWaalsContact C-NH1 3.34Å; A319-R368 HydrophobicContact CB-CG 4.22Å; A319-R368 WeakPolarHBondContact CB-O 3.42Å; A319-R368 PolarHBondContact O-NH1 2.51Å; A319-V372 HydrophobicContact CB-CG2 3.81Å
320	L	98.8	Very high	97	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-90.5	-0.1	175.9	-72.9	178.2	0	0	0	113.8	W296 S298 W317 K318 V372 V384 C386 H387 V390 L394	W296-L320 HydrophobicContact CB-CD1 4.06Å; S298-L320 WeakPolarHBondContact CB-O 3.31Å; W317-L320 HydrophobicContact CB-CB 4.22Å; W317-L320 HydrophobicContact CB-CD1 3.95Å; W317-L320 HydrophobicContact CB-CG 3.94Å; W317-L320 HydrophobicContact CG-CD1 4.37Å; W317-L320 WeakPolarHBondContact O-CB 3.49Å; W317-L320 PolarHBondContact O-N 2.95Å; K318-L320 PolarHBondContact O-N 3.41Å; K318-L320 VanDerWaalsContact O-N 3.16Å; L320-V372 HydrophobicContact CD2-CG1 3.96Å; L320-V372 HydrophobicContact CD2-CG2 4.24Å; L320-V372 HydrophobicContact CG-CG1 4.45Å; L320-V372 HydrophobicContact CG-CG2 4.26Å; L320-V384 HydrophobicContact CD1-CG1 3.75Å; L320-V384 HydrophobicContact CD2-CG1 4.01Å; L320-C386 HydrophobicContact CD2-CB 4.38Å; L320-H387 PolarHBondContact O-CD2 3.48Å; L320-V390 HydrophobicContact CD2-CG1 3.69Å; L320-L394 HydrophobicContact CD2-CD1 4.28Å
321	N	98.7	Very high	97.1	Very high	31 Å²	31	55.2 Å²	55.2	17%	0.166	30%	0.303	C	S	.	.	S	Bend	trans	-59.9	150	175.6	-73.8	9.6	0	0	0	110.8	S298 Q299 L300 K318 R368 V390	S298-N321 WeakPolarHBondContact CB-OD1 3.49Å; Q299-N321 PolarHBondContact N-OD1 3.18Å; L300-N321 HydrophobicContact CD1-CB 4.41Å; L300-N321 HydrophobicContact CG-CB 4.45Å; K318-N321 WeakPolarHBondContact O-CB 3.36Å; K318-N321 PolarHBondContact O-N 3.33Å; N321-R368 PolarHBondContact O-NH1 3.48Å; N321-R368 PolarHBondContact O-NH2 3.18Å; N321-V390 WeakPolarHBondContact O-CG2 3.5Å
322	E	98.4	Very high	97.3	Very high	34 Å²	34	53.1 Å²	53.1	16%	0.159	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-56.2	158.3	177.1	-171.6	56.8	-61.5	0	0	111.3	L300 D324 R368 H387 Q388 A389	L300-E322 HydrophobicContact CD1-CB 4.23Å; E322-D324 PolarHBondContact O-N 2.76Å; E322-R368 PolarHBondContact O-NH2 3.21Å; E322-R368 VanDerWaalsContact O-NH2 3.11Å; E322-H387 HydrophobicContact CB-CB 3.73Å; E322-H387 HydrophobicContact CG-CB 3.92Å; E322-H387 PolarHBondContact N-CD2 3.23Å; E322-H387 WeakPolarHBondContact OE1-CB 3.14Å; E322-H387 WeakPolarHBondContact OE2-CB 3.27Å; E322-Q388 PolarHBondContact OE2-N 3.26Å; E322-A389 WeakPolarHBondContact OE1-CB 3.39Å; E322-A389 PolarHBondContact OE1-N 3.27Å; E322-A389 PolarHBondContact OE2-N 3.34Å
323	I	98.1	Very high	97.2	Very high	21 Å²	21	52.7 Å²	52.7	11%	0.108	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-54.1	129.6	172.3	-168	170.7	0	0	0	110.4	A325 E360 Y362 L365 A389	I323-A325 PolarHBondContact O-N 2.98Å; I323-E360 HydrophobicContact CD1-CB 4.47Å; I323-E360 HydrophobicContact CG1-CB 3.76Å; I323-Y362 HydrophobicContact CD1-CD2 4.2Å; I323-Y362 HydrophobicContact CD1-CE2 4.36Å; I323-L365 HydrophobicContact CB-CD2 4.34Å; I323-A389 HydrophobicContact CB-CB 3.83Å; I323-A389 HydrophobicContact CG2-CB 3.6Å
324	D	98.1	Very high	97.1	Very high	71 Å²	71	51.7 Å²	51.7	38%	0.38	26%	0.256	S	S	.	.			trans	-73.8	114.8	177.8	-170.6	-22.8	0	0	0	110.2	E322 G326 G359 E360	E322-D324 PolarHBondContact O-N 2.76Å; D324-G326 PolarHBondContact O-N 3.14Å; D324-G326 WeakPolarHBondContact OD1-CA 3.35Å; D324-G326 PolarHBondContact OD1-N 3.21Å; D324-G359 WeakPolarHBondContact O-CA 3.17Å; D324-E360 HydrophobicContact CB-CB 4.27Å; D324-E360 HydrophobicContact CB-CG 3.91Å; D324-E360 PolarHBondContact N-OE2 3.44Å; D324-E360 PolarHBondContact O-N 3.19Å
325	A	97.2	Very high	97.1	Very high	3 Å²	3	52 Å²	52	3%	0.025	26%	0.259	C	S	.	.			trans	-82.1	1.5	178.4	0	0	0	0	0	113.3	L264 I323 L327 C328 E329 Y356	L264-A325 HydrophobicContact CB-CB 4.49Å; I323-A325 PolarHBondContact O-N 2.98Å; A325-L327 PolarHBondContact O-N 3.46Å; A325-C328 HydrophobicContact CB-CB 4.18Å; A325-C328 WeakPolarHBondContact O-CB 3.3Å; A325-C328 PolarHBondContact O-N 2.97Å; A325-E329 HydrophobicContact CB-CG 4.17Å; A325-E329 WeakPolarHBondContact CB-OE1 3.41Å; A325-E329 PolarHBondContact N-OE1 3.01Å; A325-Y356 HydrophobicContact CB-CD1 4.4Å; A325-Y356 HydrophobicContact CB-CD2 4.35Å; A325-Y356 HydrophobicContact CB-CE1 4.39Å; A325-Y356 HydrophobicContact CB-CE2 4.29Å; A325-Y356 HydrophobicContact CB-CG 4.38Å; A325-Y356 WeakPolarHBondContact O-CB 3.26Å; A325-Y356 WeakPolarHBondContact O-CD1 3.22Å
326	G	96.8	Very high	96.9	Very high	15 Å²	15	48.1 Å²	48.1	16%	0.155	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	54.9	-122	177	0	0	0	0	0	112.1	D324 C328 E329 P357	D324-G326 PolarHBondContact O-N 3.14Å; D324-G326 WeakPolarHBondContact OD1-CA 3.35Å; D324-G326 PolarHBondContact OD1-N 3.21Å; G326-C328 PolarHBondContact O-N 3.42Å; G326-E329 WeakPolarHBondContact O-CB 3.45Å; G326-E329 WeakPolarHBondContact O-CG 3.39Å; G326-E329 PolarHBondContact O-N 2.91Å; G326-E329 VanDerWaalsContact O-N 3.13Å; G326-P357 WeakPolarHBondContact CA-O 3.38Å
327	L	96.4	Very high	96.8	Very high	100 Å²	100	49.4 Å²	49.4	52%	0.524	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.8	-11.7	177.8	-60.3	-174.9	0	0	0	114.4	A325 M331 P357 A358	A325-L327 PolarHBondContact O-N 3.46Å; L327-M331 WeakPolarHBondContact O-CE 3.23Å; L327-P357 HydrophobicContact CB-CB 4.49Å; L327-P357 HydrophobicContact CD1-CB 3.93Å; L327-P357 HydrophobicContact CG-CB 4.2Å; L327-P357 PolarHBondContact N-O 2.95Å; L327-A358 HydrophobicContact CG-CB 4.43Å
328	C	96.3	Very high	96.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-98.5	5.2	177.9	-59	0	0	0	0	113.6	A325 G326 M331 V336 Y356	A325-C328 HydrophobicContact CB-CB 4.18Å; A325-C328 WeakPolarHBondContact O-CB 3.3Å; A325-C328 PolarHBondContact O-N 2.97Å; G326-C328 PolarHBondContact O-N 3.42Å; C328-M331 PolarHBondContact O-N 3.22Å; C328-V336 HydrophobicContact CB-CG2 3.88Å; C328-Y356 HydrophobicContact CB-CD1 3.99Å; C328-Y356 HydrophobicContact CB-CE1 4.05Å
329	E	95.8	Very high	96.6	Very high	54 Å²	54	52.7 Å²	52.7	25%	0.252	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	146.4	172	-77.3	-69.5	138.7	0	0	111.6	G265 G266 A325 G326 M331	G265-E329 VanDerWaalsContact CA-OE2 3.22Å; G265-E329 WeakPolarHBondContact CA-OE2 3.24Å; G266-E329 PolarHBondContact N-OE2 3.05Å; A325-E329 HydrophobicContact CB-CG 4.17Å; A325-E329 WeakPolarHBondContact CB-OE1 3.41Å; A325-E329 PolarHBondContact N-OE1 3.01Å; G326-E329 WeakPolarHBondContact O-CB 3.45Å; G326-E329 WeakPolarHBondContact O-CG 3.39Å; G326-E329 PolarHBondContact O-N 2.91Å; G326-E329 VanDerWaalsContact O-N 3.13Å; E329-M331 PolarHBondContact O-N 3.46Å
330	D	95.4	Very high	96.5	Very high	81 Å²	81	54.9 Å²	54.9	43%	0.433	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	4.1	-178.5	-62.4	-46.1	0	0	0	116.4	R263 L264 G266	R263-D330 WeakPolarHBondContact CD-O 2.94Å; R263-D330 PolarHBondContact NH1-O 3.41Å; R263-D330 VanDerWaalsContact NH1-O 3.08Å; L264-D330 PolarHBondContact O-N 3.16Å; G266-D330 WeakPolarHBondContact CA-OD1 3.44Å
331	M	96.8	Very high	96.4	Very high	33 Å²	33	58.6 Å²	58.6	16%	0.163	29%	0.294	C	S	.	.			trans	-92.5	150.8	176.5	-58.6	-170.9	-171.9	0	0	111.9	R263 L264 L327 C328 E329 E335 V336 K339 F340	R263-M331 CarbonylContact C-O 3.6Å; R263-M331 WeakPolarHBondContact CA-O 3.44Å; L264-M331 WeakPolarHBondContact CB-O 3.43Å; L264-M331 WeakPolarHBondContact CG-O 3.33Å; L264-M331 PolarHBondContact N-O 3.19Å; L327-M331 WeakPolarHBondContact O-CE 3.23Å; C328-M331 PolarHBondContact O-N 3.22Å; E329-M331 PolarHBondContact O-N 3.46Å; M331-E335 HydrophobicContact CB-CB 4.28Å; M331-V336 HydrophobicContact CB-CG2 3.83Å; M331-V336 HydrophobicContact SD-CG2 4.32Å; M331-K339 HydrophobicContact CE-CD 4.28Å; M331-K339 HydrophobicContact SD-CD 4.04Å; M331-F340 HydrophobicContact CE-CE2 4.07Å; M331-F340 HydrophobicContact SD-CE2 4.08Å
332	T	96.2	Very high	96.2	Very high	30 Å²	30	61.8 Å²	61.8	18%	0.184	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-78.3	160.8	165	63.4	0	0	0	0	111.2	Q261 G262 R263 D334 E335 V336	Q261-T332 WeakPolarHBondContact O-CG2 3.09Å; G262-T332 WeakPolarHBondContact O-CA 3.37Å; R263-T332 HydrophobicContact CG-CG2 4.09Å; T332-D334 PolarHBondContact O-N 3.37Å; T332-E335 PolarHBondContact N-OE2 3.41Å; T332-E335 PolarHBondContact O-N 2.67Å; T332-E335 VanDerWaalsContact OG1-CG 3.28Å; T332-E335 WeakPolarHBondContact OG1-CG 3.36Å; T332-E335 PolarHBondContact OG1-N 2.98Å; T332-E335 PolarHBondContact OG1-OE2 2.93Å; T332-V336 WeakPolarHBondContact O-CG2 3.14Å; T332-V336 PolarHBondContact O-N 2.78Å
333	Y	91.9	Very high	96.1	Very high	51 Å²	51	61.6 Å²	61.6	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-32.3	175.6	-80.8	-73.3	0	0	0	113.3	L264 V336 K337 F344 R347	L264-Y333 HydrophobicContact CD1-CD1 4.42Å; L264-Y333 HydrophobicContact CD1-CE1 4.29Å; L264-Y333 HydrophobicContact CD2-CD2 4.18Å; L264-Y333 HydrophobicContact CD2-CE1 4.04Å; L264-Y333 HydrophobicContact CD2-CE2 3.57Å; Y333-V336 PolarHBondContact O-N 3Å; Y333-K337 WeakPolarHBondContact O-CB 3.4Å; Y333-K337 PolarHBondContact O-N 3.44Å; Y333-F344 HydrophobicContact CD1-CE2 4.48Å; Y333-R347 PolarHBondContact OH-NH2 3.14Å; Y333-R347 VanDerWaalsContact OH-NH2 3.14Å
334	D	95	Very high	95.9	Very high	103 Å²	103	62 Å²	62	55%	0.551	31%	0.308	S	S	*	.	H	α-helix	trans	-71.3	-42.4	178.4	-64.9	-31.9	0	0	0	110.8	T332 V336 K337 E338	T332-D334 PolarHBondContact O-N 3.37Å; D334-V336 VanDerWaalsContact C-N 3.32Å; D334-V336 PolarHBondContact O-N 2.87Å; D334-K337 WeakPolarHBondContact O-CB 3.41Å; D334-K337 PolarHBondContact O-N 3.16Å; D334-K337 VanDerWaalsContact O-N 3.15Å; D334-E338 WeakPolarHBondContact O-CG 3.28Å; D334-E338 PolarHBondContact O-N 3.15Å
335	E	96.5	Very high	95.6	Very high	62 Å²	62	61.2 Å²	61.2	29%	0.29	31%	0.312	S	S	.	.	H	α-helix	trans	-62.4	-38.2	172.8	-71.5	169.5	122.6	0	0	112.3	M331 T332 K337 E338 K339	M331-E335 HydrophobicContact CB-CB 4.28Å; T332-E335 PolarHBondContact N-OE2 3.41Å; T332-E335 PolarHBondContact O-N 2.67Å; T332-E335 VanDerWaalsContact OG1-CG 3.28Å; T332-E335 WeakPolarHBondContact OG1-CG 3.36Å; T332-E335 PolarHBondContact OG1-N 2.98Å; T332-E335 PolarHBondContact OG1-OE2 2.93Å; E335-K337 VanDerWaalsContact C-N 3.34Å; E335-E338 PolarHBondContact O-N 2.82Å; E335-K339 VanDerWaalsContact O-CB 3.3Å; E335-K339 WeakPolarHBondContact O-CB 3.39Å; E335-K339 WeakPolarHBondContact O-CG 3.5Å; E335-K339 PolarHBondContact O-N 2.85Å
336	V	95.6	Very high	95.5	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.03	31%	0.313	C	S	.	.	H	α-helix	trans	-64.1	-42.1	174.1	174.6	0	0	0	0	110.6	L264 C328 M331 T332 Y333 D334 E338 F340 F344	L264-V336 HydrophobicContact CD1-CG2 4.11Å; C328-V336 HydrophobicContact CB-CG2 3.88Å; M331-V336 HydrophobicContact CB-CG2 3.83Å; M331-V336 HydrophobicContact SD-CG2 4.32Å; T332-V336 WeakPolarHBondContact O-CG2 3.14Å; T332-V336 PolarHBondContact O-N 2.78Å; Y333-V336 PolarHBondContact O-N 3Å; D334-V336 VanDerWaalsContact C-N 3.32Å; D334-V336 PolarHBondContact O-N 2.87Å; V336-E338 VanDerWaalsContact C-N 3.31Å; V336-E338 PolarHBondContact O-N 3.23Å; V336-F340 CarbonylContact O-C 3.58Å; V336-F340 VanDerWaalsContact O-CA 3.31Å; V336-F340 WeakPolarHBondContact O-CA 3.14Å; V336-F340 PolarHBondContact O-N 2.83Å; V336-F344 HydrophobicContact CG1-CB 4.49Å; V336-F344 HydrophobicContact CG1-CD2 4.4Å
337	K	95	Very high	95.4	Very high	118 Å²	118	61.8 Å²	61.8	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-38	177.4	-171.9	-178.3	177.1	-174.9	0	112	Y333 D334 E335 P341 F344	Y333-K337 WeakPolarHBondContact O-CB 3.4Å; Y333-K337 PolarHBondContact O-N 3.44Å; D334-K337 WeakPolarHBondContact O-CB 3.41Å; D334-K337 PolarHBondContact O-N 3.16Å; D334-K337 VanDerWaalsContact O-N 3.15Å; E335-K337 VanDerWaalsContact C-N 3.34Å; K337-P341 VanDerWaalsContact O-CA 3.3Å; K337-P341 WeakPolarHBondContact O-CA 3.47Å; K337-P341 WeakPolarHBondContact O-CB 3.1Å; K337-F344 HydrophobicContact CB-CD2 3.71Å; K337-F344 HydrophobicContact CB-CE2 3.85Å; K337-F344 HydrophobicContact CB-CG 4.06Å; K337-F344 HydrophobicContact CB-CZ 4.33Å; K337-F344 HydrophobicContact CD-CE1 4.25Å; K337-F344 HydrophobicContact CD-CE2 4.43Å; K337-F344 HydrophobicContact CD-CZ 4.1Å; K337-F344 HydrophobicContact CG-CD1 4.19Å; K337-F344 HydrophobicContact CG-CD2 4.23Å; K337-F344 HydrophobicContact CG-CE1 4.28Å; K337-F344 HydrophobicContact CG-CE2 4.29Å; K337-F344 HydrophobicContact CG-CG 4.16Å; K337-F344 HydrophobicContact CG-CZ 4.29Å
338	E	97	Very high	95.1	Very high	156 Å²	156	58.3 Å²	58.3	73%	0.729	29%	0.291	S	S	*	.	H	α-helix	trans	-75.7	-45.8	178.8	-71.2	179.5	177.2	0	0	112.7	D334 E335 V336	D334-E338 WeakPolarHBondContact O-CG 3.28Å; D334-E338 PolarHBondContact O-N 3.15Å; E335-E338 PolarHBondContact O-N 2.82Å; V336-E338 VanDerWaalsContact C-N 3.31Å; V336-E338 PolarHBondContact O-N 3.23Å
339	K	96.8	Very high	94.8	Very high	119 Å²	119	62 Å²	62	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-81.5	-35.5	-175.7	-67.2	175.8	-176.8	169	0	113.3	M331 E335	M331-K339 HydrophobicContact CE-CD 4.28Å; M331-K339 HydrophobicContact SD-CD 4.04Å; E335-K339 VanDerWaalsContact O-CB 3.3Å; E335-K339 WeakPolarHBondContact O-CB 3.39Å; E335-K339 WeakPolarHBondContact O-CG 3.5Å; E335-K339 PolarHBondContact O-N 2.85Å
340	F	96	Very high	94.6	Very high	65 Å²	65	61.3 Å²	61.3	29%	0.285	31%	0.306	S	S	.	.			trans	-132.6	61.7	-176.3	-54.1	-76.3	0	0	0	111.2	M331 V336 E342 E343 F344	M331-F340 HydrophobicContact CE-CE2 4.07Å; M331-F340 HydrophobicContact SD-CE2 4.08Å; V336-F340 CarbonylContact O-C 3.58Å; V336-F340 VanDerWaalsContact O-CA 3.31Å; V336-F340 WeakPolarHBondContact O-CA 3.14Å; V336-F340 PolarHBondContact O-N 2.83Å; F340-E342 PolarHBondContact O-N 2.88Å; F340-E343 HydrophobicContact CB-CB 3.92Å; F340-E343 HydrophobicContact CB-CG 4.07Å; F340-E343 PolarHBondContact O-N 2.84Å; F340-E343 VanDerWaalsContact O-N 3.14Å; F340-F344 PolarHBondContact O-N 3.32Å
341	P	96.2	Very high	94.6	Very high	79 Å²	79	57.9 Å²	57.9	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-34.8	-174.8	22.6	-33.9	0	0	0	113.1	K337 A345	K337-P341 VanDerWaalsContact O-CA 3.3Å; K337-P341 WeakPolarHBondContact O-CA 3.47Å; K337-P341 WeakPolarHBondContact O-CB 3.1Å; P341-A345 PolarHBondContact O-N 3.04Å; P341-A345 VanDerWaalsContact O-N 3.15Å
342	E	94.8	Very high	94.5	Very high	98 Å²	98	56.7 Å²	56.7	46%	0.458	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-46.8	176.9	-173	-177.6	162.6	0	0	112	R9 F340 F344 A345 L346	R9-E342 IonicContact CZ-OE1 2.82Å; R9-E342 IonicContact NE-OE1 3.8Å; R9-E342 PolarHBondContact NE-OE1 2.85Å; R9-E342 VanDerWaalsContact NH2-CG 3.33Å; R9-E342 IonicContact NH2-OE1 3.71Å; R9-E342 PolarHBondContact NH2-OE1 3.4Å; F340-E342 PolarHBondContact O-N 2.88Å; E342-F344 VanDerWaalsContact C-N 3.32Å; E342-F344 PolarHBondContact O-N 3.06Å; E342-A345 PolarHBondContact O-N 2.71Å; E342-L346 HydrophobicContact CG-CD1 3.99Å; E342-L346 HydrophobicContact CG-CG 4.44Å; E342-L346 VanDerWaalsContact O-CG 3.27Å; E342-L346 WeakPolarHBondContact O-CG 3.47Å; E342-L346 PolarHBondContact O-N 2.89Å
343	E	95.5	Very high	94.4	Very high	29 Å²	29	56.4 Å²	56.4	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-39.3	178.9	-64.7	-61.8	148	0	0	111.4	K12 F340 A345 L346 R347 Y354 P357	K12-E343 WeakPolarHBondContact CE-OE1 3.27Å; K12-E343 WeakPolarHBondContact CE-OE2 3.32Å; K12-E343 IonicContact NZ-OE1 2.76Å; K12-E343 PolarHBondContact NZ-OE1 2.79Å; K12-E343 IonicContact NZ-OE2 3.6Å; K12-E343 PolarHBondContact NZ-OE2 3.45Å; F340-E343 HydrophobicContact CB-CB 3.92Å; F340-E343 HydrophobicContact CB-CG 4.07Å; F340-E343 PolarHBondContact O-N 2.84Å; F340-E343 VanDerWaalsContact O-N 3.14Å; E343-A345 VanDerWaalsContact C-N 3.34Å; E343-A345 PolarHBondContact O-N 3.45Å; E343-L346 PolarHBondContact O-N 3.39Å; E343-R347 WeakPolarHBondContact O-CB 3.4Å; E343-R347 PolarHBondContact O-N 3.46Å; E343-Y354 HydrophobicContact CB-CE2 4.38Å; E343-Y354 WeakPolarHBondContact O-CE2 3.47Å; E343-Y354 VanDerWaalsContact OE2-CE2 3.23Å; E343-Y354 WeakPolarHBondContact OE2-CE2 3.34Å; E343-Y354 PolarHBondContact OE2-OH 3.28Å; E343-P357 HydrophobicContact CG-CG 4.01Å
344	F	94	Very high	94.7	Very high	29 Å²	29	54.2 Å²	54.2	13%	0.127	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-46.1	173.7	-175.1	-81.2	0	0	0	111.5	Y333 V336 K337 F340 E342 D348 R442	Y333-F344 HydrophobicContact CD1-CE2 4.48Å; V336-F344 HydrophobicContact CG1-CB 4.49Å; V336-F344 HydrophobicContact CG1-CD2 4.4Å; K337-F344 HydrophobicContact CB-CD2 3.71Å; K337-F344 HydrophobicContact CB-CE2 3.85Å; K337-F344 HydrophobicContact CB-CG 4.06Å; K337-F344 HydrophobicContact CB-CZ 4.33Å; K337-F344 HydrophobicContact CD-CE1 4.25Å; K337-F344 HydrophobicContact CD-CE2 4.43Å; K337-F344 HydrophobicContact CD-CZ 4.1Å; K337-F344 HydrophobicContact CG-CD1 4.19Å; K337-F344 HydrophobicContact CG-CD2 4.23Å; K337-F344 HydrophobicContact CG-CE1 4.28Å; K337-F344 HydrophobicContact CG-CE2 4.29Å; K337-F344 HydrophobicContact CG-CG 4.16Å; K337-F344 HydrophobicContact CG-CZ 4.29Å; F340-F344 PolarHBondContact O-N 3.32Å; E342-F344 VanDerWaalsContact C-N 3.32Å; E342-F344 PolarHBondContact O-N 3.06Å; F344-D348 PolarHBondContact O-N 3.19Å; F344-R442 VanDerWaalsContact CE2-NH1 3.26Å
345	A	93.3	Very high	94.8	Very high	56 Å²	56	52.4 Å²	52.4	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-67.9	-43.8	178.4	0	0	0	0	0	112.7	P341 E342 E343 R347 D348 E349	P341-A345 PolarHBondContact O-N 3.04Å; P341-A345 VanDerWaalsContact O-N 3.15Å; E342-A345 PolarHBondContact O-N 2.71Å; E343-A345 VanDerWaalsContact C-N 3.34Å; E343-A345 PolarHBondContact O-N 3.45Å; A345-R347 VanDerWaalsContact C-N 3.27Å; A345-R347 PolarHBondContact O-N 2.97Å; A345-D348 PolarHBondContact O-N 3.19Å; A345-D348 VanDerWaalsContact O-N 3.15Å; A345-E349 PolarHBondContact O-N 2.88Å
346	L	93.9	Very high	94.9	Very high	9 Å²	9	50 Å²	50	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-36.9	177.9	-71	169.1	0	0	0	112	R9 I10 E342 E343 E349 D350 Y354	R9-L346 HydrophobicContact CB-CD1 3.98Å; R9-L346 HydrophobicContact CB-CD2 4.29Å; I10-L346 HydrophobicContact CG1-CD2 4.04Å; E342-L346 HydrophobicContact CG-CD1 3.99Å; E342-L346 HydrophobicContact CG-CG 4.44Å; E342-L346 VanDerWaalsContact O-CG 3.27Å; E342-L346 WeakPolarHBondContact O-CG 3.47Å; E342-L346 PolarHBondContact O-N 2.89Å; E343-L346 PolarHBondContact O-N 3.39Å; L346-E349 PolarHBondContact O-N 3.38Å; L346-D350 PolarHBondContact O-N 3.12Å; L346-D350 VanDerWaalsContact O-N 3.16Å; L346-Y354 HydrophobicContact CB-CD2 4Å; L346-Y354 HydrophobicContact CB-CE2 4.19Å
347	R	94.6	Very high	94.9	Very high	21 Å²	21	50.9 Å²	50.9	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-66.4	-37.6	175.4	-176.2	178.3	177.5	-84.8	14.3	112.7	Y333 E343 A345 E349 K351 Y354 Y356	Y333-R347 PolarHBondContact OH-NH2 3.14Å; Y333-R347 VanDerWaalsContact OH-NH2 3.14Å; E343-R347 WeakPolarHBondContact O-CB 3.4Å; E343-R347 PolarHBondContact O-N 3.46Å; A345-R347 VanDerWaalsContact C-N 3.27Å; A345-R347 PolarHBondContact O-N 2.97Å; R347-E349 VanDerWaalsContact C-N 3.35Å; R347-K351 HydrophobicContact CG-CG 4.36Å; R347-K351 WeakPolarHBondContact O-CA 3.36Å; R347-K351 VanDerWaalsContact O-CB 3.28Å; R347-K351 WeakPolarHBondContact O-CB 3.36Å; R347-K351 PolarHBondContact O-N 2.99Å; R347-K351 VanDerWaalsContact O-N 3.14Å; R347-Y354 HydrophobicContact CB-CD1 3.68Å; R347-Y354 HydrophobicContact CB-CD2 3.82Å; R347-Y354 HydrophobicContact CB-CE1 3.79Å; R347-Y354 HydrophobicContact CB-CE2 3.91Å; R347-Y354 HydrophobicContact CB-CG 3.7Å; R347-Y354 HydrophobicContact CG-CD1 3.57Å; R347-Y354 HydrophobicContact CG-CE1 3.84Å; R347-Y354 HydrophobicContact CG-CG 3.98Å; R347-Y356 PolarHBondContact NE-OH 3.43Å
348	D	90.9	Very high	94.9	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-73.8	-29.5	177.8	-80.4	-7	0	0	0	111.8	F344 A345 P445	F344-D348 PolarHBondContact O-N 3.19Å; A345-D348 PolarHBondContact O-N 3.19Å; A345-D348 VanDerWaalsContact O-N 3.15Å; D348-P445 HydrophobicContact CB-CG 4.01Å
349	E	90.3	Very high	94.9	Very high	77 Å²	77	42.9 Å²	42.9	36%	0.36	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-51.7	173.9	-175	-178.2	173.4	0	0	112.5	A345 L346 R347	A345-E349 PolarHBondContact O-N 2.88Å; L346-E349 PolarHBondContact O-N 3.38Å; R347-E349 VanDerWaalsContact C-N 3.35Å
350	D	90.5	Very high	95	Very high	39 Å²	39	38.9 Å²	38.9	21%	0.209	22%	0.215	C	C	.	.			trans	-142	75.9	-177.7	-165.4	-20.4	0	0	0	112.3	I10 L346 Y352 Y353 Y354	I10-D350 HydrophobicContact CD1-CB 4.12Å; I10-D350 HydrophobicContact CG2-CB 4.25Å; L346-D350 PolarHBondContact O-N 3.12Å; L346-D350 VanDerWaalsContact O-N 3.16Å; D350-Y352 PolarHBondContact O-N 3.36Å; D350-Y352 VanDerWaalsContact O-N 3.16Å; D350-Y353 PolarHBondContact O-N 3.05Å; D350-Y353 WeakPolarHBondContact OD1-CD2 3.26Å; D350-Y353 PolarHBondContact OD1-N 3.24Å; D350-Y353 WeakPolarHBondContact OD2-CD2 3.19Å; D350-Y354 WeakPolarHBondContact O-CB 3.48Å; D350-Y354 PolarHBondContact O-N 3.05Å
351	K	95.1	Very high	95.1	Very high	9 Å²	9	35.8 Å²	35.8	4%	0.039	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.7	-173.9	-164.1	174.2	176	-172.3	0	114.9	R347 Y362 P407 Y408	R347-K351 HydrophobicContact CG-CG 4.36Å; R347-K351 WeakPolarHBondContact O-CA 3.36Å; R347-K351 VanDerWaalsContact O-CB 3.28Å; R347-K351 WeakPolarHBondContact O-CB 3.36Å; R347-K351 PolarHBondContact O-N 2.99Å; R347-K351 VanDerWaalsContact O-N 3.14Å; K351-Y362 HydrophobicContact CG-CE2 4.5Å; K351-Y362 WeakPolarHBondContact O-CD2 3.42Å; K351-P407 HydrophobicContact CB-CB 4.12Å; K351-P407 HydrophobicContact CB-CG 4.44Å; K351-P407 HydrophobicContact CD-CB 3.69Å; K351-P407 HydrophobicContact CG-CB 3.76Å; K351-P407 HydrophobicContact CG-CG 4.46Å; K351-P407 PolarHBondContact NZ-O 2.87Å; K351-Y408 HydrophobicContact CB-CE2 4.32Å; K351-Y408 WeakPolarHBondContact CB-OH 3.35Å; K351-Y408 HydrophobicContact CD-CD1 4.38Å; K351-Y408 HydrophobicContact CD-CE1 3.65Å; K351-Y408 HydrophobicContact CD-CE2 4.22Å
352	Y	95.3	Very high	95.2	Very high	8 Å²	8	32.6 Å²	32.6	3%	0.031	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-47.7	179.5	178.5	-96.6	0	0	0	111.2	D350 Y362 Q363 V366 A403 M406 P407 P463	D350-Y352 PolarHBondContact O-N 3.36Å; D350-Y352 VanDerWaalsContact O-N 3.16Å; Y352-Y362 PolarHBondContact O-N 2.76Å; Y352-Q363 HydrophobicContact CE1-CB 3.9Å; Y352-Q363 HydrophobicContact CE1-CG 4.31Å; Y352-Q363 PolarHBondContact O-N 3.26Å; Y352-V366 HydrophobicContact CE2-CG2 4.48Å; Y352-A403 WeakPolarHBondContact CB-O 3.46Å; Y352-A403 HydrophobicContact CD1-CB 3.79Å; Y352-A403 HydrophobicContact CD2-CB 3.88Å; Y352-A403 WeakPolarHBondContact CD2-O 3.38Å; Y352-A403 HydrophobicContact CE1-CB 3.86Å; Y352-A403 HydrophobicContact CE2-CB 3.97Å; Y352-A403 HydrophobicContact CG-CB 3.81Å; Y352-M406 HydrophobicContact CD2-SD 4.27Å; Y352-M406 HydrophobicContact CE2-CE 4.19Å; Y352-M406 HydrophobicContact CE2-SD 3.86Å; Y352-P407 HydrophobicContact CD2-CG 4.32Å; Y352-P463 VanDerWaalsContact OH-CD 3.23Å; Y352-P463 WeakPolarHBondContact OH-CD 3.34Å; Y352-P463 VanDerWaalsContact OH-CG 3.24Å; Y352-P463 WeakPolarHBondContact OH-CG 3.44Å
353	Y	95.2	Very high	95.2	Very high	25 Å²	25	29.4 Å²	29.4	10%	0.098	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-20.6	-177	-75	-63.9	0	0	0	114.5	D350 R355 T462	D350-Y353 PolarHBondContact O-N 3.05Å; D350-Y353 WeakPolarHBondContact OD1-CD2 3.26Å; D350-Y353 PolarHBondContact OD1-N 3.24Å; D350-Y353 WeakPolarHBondContact OD2-CD2 3.19Å; Y353-R355 PolarHBondContact O-N 2.89Å; Y353-T462 HydrophobicContact CE2-CG2 4.13Å; Y353-T462 WeakPolarHBondContact OH-CA 3.5Å; Y353-T462 WeakPolarHBondContact OH-CB 3.38Å; Y353-T462 VanDerWaalsContact OH-CG2 3.28Å; Y353-T462 WeakPolarHBondContact OH-CG2 3.33Å; Y353-T462 PolarHBondContact OH-OG1 2.9Å
354	Y	97.1	Very high	95.3	Very high	5 Å²	5	29.9 Å²	29.9	2%	0.02	17%	0.168	C	C	.	.			trans	-56.2	123	175.2	170	-90.7	0	0	0	110.2	E343 L346 R347 D350 Y356 S361	E343-Y354 HydrophobicContact CB-CE2 4.38Å; E343-Y354 WeakPolarHBondContact O-CE2 3.47Å; E343-Y354 VanDerWaalsContact OE2-CE2 3.23Å; E343-Y354 WeakPolarHBondContact OE2-CE2 3.34Å; E343-Y354 PolarHBondContact OE2-OH 3.28Å; L346-Y354 HydrophobicContact CB-CD2 4Å; L346-Y354 HydrophobicContact CB-CE2 4.19Å; R347-Y354 HydrophobicContact CB-CD1 3.68Å; R347-Y354 HydrophobicContact CB-CD2 3.82Å; R347-Y354 HydrophobicContact CB-CE1 3.79Å; R347-Y354 HydrophobicContact CB-CE2 3.91Å; R347-Y354 HydrophobicContact CB-CG 3.7Å; R347-Y354 HydrophobicContact CG-CD1 3.57Å; R347-Y354 HydrophobicContact CG-CE1 3.84Å; R347-Y354 HydrophobicContact CG-CG 3.98Å; D350-Y354 WeakPolarHBondContact O-CB 3.48Å; D350-Y354 PolarHBondContact O-N 3.05Å; Y354-Y356 AromaticContact CE1-CD1 3.64Å; Y354-Y356 HydrophobicContact CE1-CD1 3.64Å; Y354-Y356 AromaticContact CE1-CD2 3.89Å; Y354-Y356 HydrophobicContact CE1-CD2 3.89Å; Y354-Y356 AromaticContact CE1-CE1 3.8Å; Y354-Y356 HydrophobicContact CE1-CE1 3.8Å; Y354-Y356 HydrophobicContact CE1-CE2 4.08Å; Y354-Y356 AromaticContact CE1-CG 3.68Å; Y354-Y356 HydrophobicContact CE1-CG 3.68Å; Y354-Y356 AromaticContact CZ-CD1 3.95Å; Y354-Y356 VanDerWaalsContact OH-CD1 3.3Å; Y354-Y356 WeakPolarHBondContact OH-CD1 3.36Å; Y354-S361 VanDerWaalsContact O-CA 3.28Å; Y354-S361 WeakPolarHBondContact O-CA 3.17Å; Y354-S361 WeakPolarHBondContact O-CB 3.26Å
355	R	98	Very high	95.4	Very high	64 Å²	64	28.5 Å²	28.5	24%	0.242	16%	0.162	C	C	.	.			trans	-106.2	127.7	170.9	-174.6	179.8	-72.9	159.3	-4.6	108.9	I10 Q11 K12 Y353 G359 D364	I10-R355 PolarHBondContact O-N 2.85Å; Q11-R355 PolarHBondContact O-NH1 3.44Å; K12-R355 HydrophobicContact CB-CB 4.45Å; K12-R355 HydrophobicContact CG-CB 4.17Å; K12-R355 WeakPolarHBondContact CG-O 3.48Å; K12-R355 PolarHBondContact NZ-O 2.88Å; K12-R355 VanDerWaalsContact NZ-O 3.12Å; Y353-R355 PolarHBondContact O-N 2.89Å; R355-G359 WeakPolarHBondContact CD-O 3.16Å; R355-G359 VanDerWaalsContact CG-O 3.29Å; R355-G359 WeakPolarHBondContact CG-O 3.35Å; R355-D364 IonicContact CZ-OD1 3Å; R355-D364 IonicContact CZ-OD2 3.49Å; R355-D364 IonicContact NE-OD1 2.63Å; R355-D364 IonicContact NE-OD2 2.79Å; R355-D364 PolarHBondContact NE-OD2 3.28Å; R355-D364 VanDerWaalsContact NH2-CG 3.29Å; R355-D364 IonicContact NH2-OD1 2.73Å; R355-D364 PolarHBondContact NH2-OD1 3.18Å; R355-D364 IonicContact NH2-OD2 3.92Å; R355-D364 PolarHBondContact NH2-OD2 3.45Å; R355-D364 VanDerWaalsContact NH2-OD2 3.17Å
356	Y	97.5	Very high	95.6	Very high	11 Å²	11	25.8 Å²	25.8	4%	0.043	14%	0.14	C	C	.	.			trans	-58.9	142.8	170.6	-76.1	-80.6	0	0	0	110.7	A325 C328 R347 Y354 A358 G359 E360	A325-Y356 HydrophobicContact CB-CD1 4.4Å; A325-Y356 HydrophobicContact CB-CD2 4.35Å; A325-Y356 HydrophobicContact CB-CE1 4.39Å; A325-Y356 HydrophobicContact CB-CE2 4.29Å; A325-Y356 HydrophobicContact CB-CG 4.38Å; A325-Y356 WeakPolarHBondContact O-CB 3.26Å; A325-Y356 WeakPolarHBondContact O-CD1 3.22Å; C328-Y356 HydrophobicContact CB-CD1 3.99Å; C328-Y356 HydrophobicContact CB-CE1 4.05Å; R347-Y356 PolarHBondContact NE-OH 3.43Å; Y354-Y356 AromaticContact CE1-CD1 3.64Å; Y354-Y356 HydrophobicContact CE1-CD1 3.64Å; Y354-Y356 AromaticContact CE1-CD2 3.89Å; Y354-Y356 HydrophobicContact CE1-CD2 3.89Å; Y354-Y356 AromaticContact CE1-CE1 3.8Å; Y354-Y356 HydrophobicContact CE1-CE1 3.8Å; Y354-Y356 HydrophobicContact CE1-CE2 4.08Å; Y354-Y356 AromaticContact CE1-CG 3.68Å; Y354-Y356 HydrophobicContact CE1-CG 3.68Å; Y354-Y356 AromaticContact CZ-CD1 3.95Å; Y354-Y356 VanDerWaalsContact OH-CD1 3.3Å; Y354-Y356 WeakPolarHBondContact OH-CD1 3.36Å; Y356-A358 PolarHBondContact O-N 3.35Å; Y356-A358 VanDerWaalsContact O-N 3.16Å; Y356-G359 PolarHBondContact O-N 2.85Å; Y356-E360 WeakPolarHBondContact CD2-O 3.44Å; Y356-E360 PolarHBondContact N-O 2.94Å
357	P	96.2	Very high	95.6	Very high	24 Å²	24	29.6 Å²	29.6	16%	0.156	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	122.6	171.4	-25.3	34.5	0	0	0	110.9	G326 L327 E343 G359	G326-P357 WeakPolarHBondContact CA-O 3.38Å; L327-P357 HydrophobicContact CB-CB 4.49Å; L327-P357 HydrophobicContact CD1-CB 3.93Å; L327-P357 HydrophobicContact CG-CB 4.2Å; L327-P357 PolarHBondContact N-O 2.95Å; E343-P357 HydrophobicContact CG-CG 4.01Å; P357-G359 PolarHBondContact O-N 3.26Å
358	A	95.4	Very high	95.7	Very high	91 Å²	91	31.2 Å²	31.2	75%	0.752	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	22.4	-174	0	0	0	0	0	115.2	L327 Y356	L327-A358 HydrophobicContact CG-CB 4.43Å; Y356-A358 PolarHBondContact O-N 3.35Å; Y356-A358 VanDerWaalsContact O-N 3.16Å
359	G	97.1	Very high	96	Very high	15 Å²	15	30 Å²	30	16%	0.155	16%	0.157	C	C	.	.	S	Bend	trans	-131.6	-152	178.3	0	0	0	0	0	112.7	D324 R355 Y356 P357	D324-G359 WeakPolarHBondContact O-CA 3.17Å; R355-G359 WeakPolarHBondContact CD-O 3.16Å; R355-G359 VanDerWaalsContact CG-O 3.29Å; R355-G359 WeakPolarHBondContact CG-O 3.35Å; Y356-G359 PolarHBondContact O-N 2.85Å; P357-G359 PolarHBondContact O-N 3.26Å
360	E	98.1	Very high	96.3	Very high	35 Å²	35	27.3 Å²	27.3	16%	0.164	14%	0.144	C	C	.	.			trans	-111.8	161.3	-172.7	-72.9	178.9	131.7	0	0	113	I323 D324 Y356 D364 R368	I323-E360 HydrophobicContact CD1-CB 4.47Å; I323-E360 HydrophobicContact CG1-CB 3.76Å; D324-E360 HydrophobicContact CB-CB 4.27Å; D324-E360 HydrophobicContact CB-CG 3.91Å; D324-E360 PolarHBondContact N-OE2 3.44Å; D324-E360 PolarHBondContact O-N 3.19Å; Y356-E360 WeakPolarHBondContact CD2-O 3.44Å; Y356-E360 PolarHBondContact N-O 2.94Å; E360-D364 HydrophobicContact CB-CB 4.18Å; E360-D364 HydrophobicContact CG-CB 4.23Å; E360-R368 IonicContact OE1-CZ 3.39Å; E360-R368 IonicContact OE1-NE 2.94Å; E360-R368 PolarHBondContact OE1-NE 3.38Å; E360-R368 IonicContact OE1-NH2 2.66Å; E360-R368 PolarHBondContact OE1-NH2 3.45Å; E360-R368 IonicContact OE2-CZ 2.68Å; E360-R368 IonicContact OE2-NE 3.58Å; E360-R368 IonicContact OE2-NH2 3.17Å; E360-R368 PolarHBondContact OE2-NH2 3.38Å
361	S	97.9	Very high	96.7	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	16%	0.156	C	C	.	.			trans	-109.1	171	163.4	64.3	0	0	0	0	110.8	Y354 Q363 D364 L365	Y354-S361 VanDerWaalsContact O-CA 3.28Å; Y354-S361 WeakPolarHBondContact O-CA 3.17Å; Y354-S361 WeakPolarHBondContact O-CB 3.26Å; S361-Q363 PolarHBondContact O-N 3Å; S361-Q363 WeakPolarHBondContact OG-CB 3.45Å; S361-Q363 PolarHBondContact OG-N 2.97Å; S361-D364 WeakPolarHBondContact CB-OD2 3.18Å; S361-D364 PolarHBondContact N-OD2 2.82Å; S361-D364 PolarHBondContact O-N 2.86Å; S361-D364 PolarHBondContact OG-N 3.14Å; S361-D364 VanDerWaalsContact OG-N 3.09Å; S361-D364 PolarHBondContact OG-OD2 2.81Å; S361-L365 PolarHBondContact O-N 2.87Å
362	Y	97.7	Very high	96.8	Very high	12 Å²	12	28.3 Å²	28.3	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-30.1	169.4	-84.2	-98.5	0	0	0	111.6	I323 K351 Y352 L365 V366 A389 R392 M406 P407	I323-Y362 HydrophobicContact CD1-CD2 4.2Å; I323-Y362 HydrophobicContact CD1-CE2 4.36Å; K351-Y362 HydrophobicContact CG-CE2 4.5Å; K351-Y362 WeakPolarHBondContact O-CD2 3.42Å; Y352-Y362 PolarHBondContact O-N 2.76Å; Y362-L365 PolarHBondContact O-N 3.44Å; Y362-V366 WeakPolarHBondContact O-CG2 3.41Å; Y362-V366 PolarHBondContact O-N 3.28Å; Y362-A389 HydrophobicContact CE1-CB 3.86Å; Y362-R392 HydrophobicContact CE1-CB 4.32Å; Y362-R392 PolarHBondContact OH-NH1 2.85Å; Y362-R392 VanDerWaalsContact OH-NH1 3.14Å; Y362-M406 HydrophobicContact CD1-CG 4.31Å; Y362-M406 HydrophobicContact CD1-SD 4.24Å; Y362-P407 HydrophobicContact CD1-CB 4.41Å; Y362-P407 HydrophobicContact CD1-CG 4.19Å; Y362-P407 HydrophobicContact CD2-CB 4.04Å; Y362-P407 HydrophobicContact CD2-CG 4.01Å; Y362-P407 HydrophobicContact CE1-CB 4.17Å; Y362-P407 HydrophobicContact CE1-CG 4.43Å; Y362-P407 HydrophobicContact CE2-CB 3.8Å; Y362-P407 HydrophobicContact CE2-CG 4.28Å; Y362-P407 HydrophobicContact CG-CB 4.35Å; Y362-P407 HydrophobicContact CG-CG 3.98Å
363	Q	95.9	Very high	96.9	Very high	31 Å²	31	27.9 Å²	27.9	15%	0.145	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-43.1	173.4	-173.4	178.5	29.4	0	0	111.8	Y352 S361 L365 V366 Q367	Y352-Q363 HydrophobicContact CE1-CB 3.9Å; Y352-Q363 HydrophobicContact CE1-CG 4.31Å; Y352-Q363 PolarHBondContact O-N 3.26Å; S361-Q363 PolarHBondContact O-N 3Å; S361-Q363 WeakPolarHBondContact OG-CB 3.45Å; S361-Q363 PolarHBondContact OG-N 2.97Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; Q363-V366 PolarHBondContact O-N 2.97Å; Q363-Q367 PolarHBondContact O-N 3.15Å
364	D	97.1	Very high	96.9	Very high	38 Å²	38	26.9 Å²	26.9	20%	0.203	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-41.8	175.9	-60.3	-48.7	0	0	0	111.1	R355 E360 S361 V366 Q367 R368	R355-D364 IonicContact CZ-OD1 3Å; R355-D364 IonicContact CZ-OD2 3.49Å; R355-D364 IonicContact NE-OD1 2.63Å; R355-D364 IonicContact NE-OD2 2.79Å; R355-D364 PolarHBondContact NE-OD2 3.28Å; R355-D364 VanDerWaalsContact NH2-CG 3.29Å; R355-D364 IonicContact NH2-OD1 2.73Å; R355-D364 PolarHBondContact NH2-OD1 3.18Å; R355-D364 IonicContact NH2-OD2 3.92Å; R355-D364 PolarHBondContact NH2-OD2 3.45Å; R355-D364 VanDerWaalsContact NH2-OD2 3.17Å; E360-D364 HydrophobicContact CB-CB 4.18Å; E360-D364 HydrophobicContact CG-CB 4.23Å; S361-D364 WeakPolarHBondContact CB-OD2 3.18Å; S361-D364 PolarHBondContact N-OD2 2.82Å; S361-D364 PolarHBondContact O-N 2.86Å; S361-D364 PolarHBondContact OG-N 3.14Å; S361-D364 VanDerWaalsContact OG-N 3.09Å; S361-D364 PolarHBondContact OG-OD2 2.81Å; D364-V366 PolarHBondContact O-N 3.22Å; D364-Q367 PolarHBondContact O-N 3.1Å; D364-R368 PolarHBondContact O-N 3.26Å
365	L	97.1	Very high	96.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-39.2	179.2	-177.3	60.4	0	0	0	112.5	I323 S361 Y362 Q363 Q367 R368 V369 A389 V390 C393	I323-L365 HydrophobicContact CB-CD2 4.34Å; S361-L365 PolarHBondContact O-N 2.87Å; Y362-L365 PolarHBondContact O-N 3.44Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.03Å; L365-R368 VanDerWaalsContact CD1-CZ 3.4Å; L365-R368 VanDerWaalsContact CD1-NH2 3.31Å; L365-R368 PolarHBondContact O-N 3.35Å; L365-V369 HydrophobicContact CD1-CG2 3.72Å; L365-V369 HydrophobicContact CG-CG2 4.19Å; L365-V369 VanDerWaalsContact O-CB 3.3Å; L365-V369 WeakPolarHBondContact O-CB 3.39Å; L365-V369 WeakPolarHBondContact O-CG2 3.31Å; L365-V369 PolarHBondContact O-N 3.25Å; L365-A389 HydrophobicContact CD2-CB 3.74Å; L365-V390 HydrophobicContact CD1-CG2 3.98Å; L365-V390 HydrophobicContact CD2-CG2 4.29Å; L365-C393 WeakPolarHBondContact CD2-SG 3.47Å
366	V	96.3	Very high	96.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-47.6	172.8	162.8	0	0	0	0	111.3	W60 Y352 Y362 Q363 D364 R368 V369 E370 M406	W60-V366 HydrophobicContact CD2-CG1 4.15Å; W60-V366 HydrophobicContact CE3-CG1 4.16Å; W60-V366 HydrophobicContact CH2-CG1 4.06Å; W60-V366 VanDerWaalsContact CH2-O 3.24Å; W60-V366 WeakPolarHBondContact CH2-O 3.35Å; W60-V366 HydrophobicContact CZ2-CB 4.36Å; W60-V366 HydrophobicContact CZ2-CG1 4.08Å; W60-V366 HydrophobicContact CZ2-CG2 4.22Å; W60-V366 HydrophobicContact CZ3-CG1 4.11Å; W60-V366 WeakPolarHBondContact O-CG1 3.36Å; Y352-V366 HydrophobicContact CE2-CG2 4.48Å; Y362-V366 WeakPolarHBondContact O-CG2 3.41Å; Y362-V366 PolarHBondContact O-N 3.28Å; Q363-V366 PolarHBondContact O-N 2.97Å; D364-V366 PolarHBondContact O-N 3.22Å; V366-R368 VanDerWaalsContact C-N 3.34Å; V366-R368 PolarHBondContact O-N 2.82Å; V366-V369 PolarHBondContact O-N 2.81Å; V366-E370 PolarHBondContact O-N 2.7Å; V366-M406 HydrophobicContact CG2-CE 3.9Å; V366-M406 HydrophobicContact CG2-SD 3.88Å
367	Q	93.9	Very high	96.5	Very high	88 Å²	88	24.9 Å²	24.9	41%	0.411	14%	0.142	S	C	.	.	H	α-helix	trans	-64.3	-40	178.7	-60.9	-62.1	-47.6	0	0	111.4	I61 Q363 D364 L365 E370	I61-Q367 PolarHBondContact O-NE2 3.02Å; I61-Q367 VanDerWaalsContact O-NE2 3.12Å; Q363-Q367 PolarHBondContact O-N 3.15Å; D364-Q367 PolarHBondContact O-N 3.1Å; L365-Q367 PolarHBondContact O-N 3.03Å; Q367-E370 PolarHBondContact O-N 3.47Å
368	R	97.4	Very high	96.4	Very high	56 Å²	56	30 Å²	30	21%	0.211	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-36.1	177.3	176.9	162.5	60.9	93.3	-23	112.9	A319 N321 E322 E360 D364 L365 V366 P371	A319-R368 VanDerWaalsContact C-NH1 3.34Å; A319-R368 HydrophobicContact CB-CG 4.22Å; A319-R368 WeakPolarHBondContact CB-O 3.42Å; A319-R368 PolarHBondContact O-NH1 2.51Å; N321-R368 PolarHBondContact O-NH1 3.48Å; N321-R368 PolarHBondContact O-NH2 3.18Å; E322-R368 PolarHBondContact O-NH2 3.21Å; E322-R368 VanDerWaalsContact O-NH2 3.11Å; E360-R368 IonicContact OE1-CZ 3.39Å; E360-R368 IonicContact OE1-NE 2.94Å; E360-R368 PolarHBondContact OE1-NE 3.38Å; E360-R368 IonicContact OE1-NH2 2.66Å; E360-R368 PolarHBondContact OE1-NH2 3.45Å; E360-R368 IonicContact OE2-CZ 2.68Å; E360-R368 IonicContact OE2-NE 3.58Å; E360-R368 IonicContact OE2-NH2 3.17Å; E360-R368 PolarHBondContact OE2-NH2 3.38Å; D364-R368 PolarHBondContact O-N 3.26Å; L365-R368 VanDerWaalsContact CD1-CZ 3.4Å; L365-R368 VanDerWaalsContact CD1-NH2 3.31Å; L365-R368 PolarHBondContact O-N 3.35Å; V366-R368 VanDerWaalsContact C-N 3.34Å; V366-R368 PolarHBondContact O-N 2.82Å; R368-P371 WeakPolarHBondContact O-CD 3.3Å
369	V	97.6	Very high	96.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-87.9	-10.4	-176.5	174.9	0	0	0	0	112.2	W60 L365 V366 V372 I373 V390 L394	W60-V369 HydrophobicContact CH2-CB 4.32Å; W60-V369 HydrophobicContact CH2-CG1 4.32Å; W60-V369 HydrophobicContact CZ2-CG1 4.4Å; L365-V369 HydrophobicContact CD1-CG2 3.72Å; L365-V369 HydrophobicContact CG-CG2 4.19Å; L365-V369 VanDerWaalsContact O-CB 3.3Å; L365-V369 WeakPolarHBondContact O-CB 3.39Å; L365-V369 WeakPolarHBondContact O-CG2 3.31Å; L365-V369 PolarHBondContact O-N 3.25Å; V366-V369 PolarHBondContact O-N 2.81Å; V369-V372 HydrophobicContact CG1-CB 4.15Å; V369-V372 WeakPolarHBondContact O-CA 3.3Å; V369-V372 VanDerWaalsContact O-CB 3.31Å; V369-V372 WeakPolarHBondContact O-CB 3.37Å; V369-V372 PolarHBondContact O-N 2.95Å; V369-I373 HydrophobicContact CG1-CG1 4.43Å; V369-I373 PolarHBondContact O-N 3.31Å; V369-I373 VanDerWaalsContact O-N 3.14Å; V369-V390 HydrophobicContact CG2-CG1 4.3Å; V369-L394 HydrophobicContact CG1-CD2 3.36Å; V369-L394 HydrophobicContact CG1-CG 4.16Å
370	E	96.7	Very high	96	Very high	21 Å²	21	30.7 Å²	30.7	10%	0.098	14%	0.142	C	C	.	.	H	α-helix	trans	-49	-47.3	178.4	-177.1	-177.2	-178.4	0	0	113.4	Y57 W60 I61 K233 V366 Q367 V372 I373 M374	Y57-E370 HydrophobicContact CE2-CG 4.26Å; Y57-E370 PolarHBondContact OH-OE1 3.12Å; W60-E370 HydrophobicContact CH2-CB 4.47Å; W60-E370 HydrophobicContact CZ3-CB 4.04Å; W60-E370 HydrophobicContact CZ3-CG 4.39Å; I61-E370 HydrophobicContact CG2-CG 4.06Å; K233-E370 VanDerWaalsContact NZ-CD 3.26Å; K233-E370 IonicContact NZ-OE1 2.7Å; K233-E370 PolarHBondContact NZ-OE1 2.97Å; K233-E370 IonicContact NZ-OE2 3.93Å; K233-E370 PolarHBondContact NZ-OE2 3.48Å; V366-E370 PolarHBondContact O-N 2.7Å; Q367-E370 PolarHBondContact O-N 3.47Å; E370-V372 VanDerWaalsContact C-N 3.27Å; E370-V372 PolarHBondContact O-N 3Å; E370-I373 WeakPolarHBondContact O-CB 3.3Å; E370-I373 PolarHBondContact O-N 3.08Å; E370-I373 VanDerWaalsContact O-N 3.14Å; E370-M374 WeakPolarHBondContact O-CG 3.17Å; E370-M374 PolarHBondContact O-N 2.82Å; E370-M374 VanDerWaalsContact O-N 3.1Å
371	P	97.2	Very high	95.8	Very high	69 Å²	69	30.3 Å²	30.3	45%	0.448	14%	0.141	S	C	.	.	H	α-helix	trans	-62.6	-31.1	177.2	-22.7	35.2	0	0	0	114	R368 M374 E375	R368-P371 WeakPolarHBondContact O-CD 3.3Å; P371-M374 PolarHBondContact O-N 2.78Å; P371-E375 PolarHBondContact O-N 2.56Å; P371-E375 VanDerWaalsContact O-N 3.1Å
372	V	98	Very high	95.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-67.6	-41.4	175.9	-178	0	0	0	0	110.1	W296 W317 A319 L320 V369 E370 M374 E375 L376 L394	W296-V372 HydrophobicContact CE3-CG1 4.16Å; W296-V372 HydrophobicContact CZ3-CG1 3.93Å; W317-V372 HydrophobicContact CE3-CG2 3.92Å; W317-V372 HydrophobicContact CZ3-CG2 4.38Å; A319-V372 HydrophobicContact CB-CG2 3.81Å; L320-V372 HydrophobicContact CD2-CG1 3.96Å; L320-V372 HydrophobicContact CD2-CG2 4.24Å; L320-V372 HydrophobicContact CG-CG1 4.45Å; L320-V372 HydrophobicContact CG-CG2 4.26Å; V369-V372 HydrophobicContact CG1-CB 4.15Å; V369-V372 WeakPolarHBondContact O-CA 3.3Å; V369-V372 VanDerWaalsContact O-CB 3.31Å; V369-V372 WeakPolarHBondContact O-CB 3.37Å; V369-V372 PolarHBondContact O-N 2.95Å; E370-V372 VanDerWaalsContact C-N 3.27Å; E370-V372 PolarHBondContact O-N 3Å; V372-M374 VanDerWaalsContact C-N 3.33Å; V372-M374 PolarHBondContact O-N 2.92Å; V372-E375 PolarHBondContact O-N 3.43Å; V372-L376 HydrophobicContact CG1-CD1 4.36Å; V372-L376 HydrophobicContact CG1-CG 4.43Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 3.28Å; V372-L394 HydrophobicContact CG1-CD2 4.29Å
373	I	96.8	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-43	175	-66	-60.8	0	0	0	110.8	W60 V369 E370 E375 L376 E377 L394 Y397 F398	W60-I373 HydrophobicContact CE3-CG1 4.5Å; W60-I373 HydrophobicContact CH2-CG1 3.57Å; W60-I373 HydrophobicContact CZ2-CG1 3.95Å; W60-I373 HydrophobicContact CZ3-CB 4.43Å; W60-I373 HydrophobicContact CZ3-CG1 3.88Å; V369-I373 HydrophobicContact CG1-CG1 4.43Å; V369-I373 PolarHBondContact O-N 3.31Å; V369-I373 VanDerWaalsContact O-N 3.14Å; E370-I373 WeakPolarHBondContact O-CB 3.3Å; E370-I373 PolarHBondContact O-N 3.08Å; E370-I373 VanDerWaalsContact O-N 3.14Å; I373-E375 VanDerWaalsContact C-N 3.3Å; I373-E375 PolarHBondContact O-N 3.41Å; I373-L376 HydrophobicContact CD1-CD1 4.39Å; I373-L376 PolarHBondContact O-N 3.05Å; I373-E377 HydrophobicContact CG2-CG 4.42Å; I373-E377 WeakPolarHBondContact O-CB 3.2Å; I373-E377 WeakPolarHBondContact O-CG 3.4Å; I373-E377 PolarHBondContact O-N 3.48Å; I373-L394 HydrophobicContact CD1-CD2 3.48Å; I373-L394 VanDerWaalsContact CD1-CD2 3.48Å; I373-L394 HydrophobicContact CG1-CD2 4.28Å; I373-Y397 HydrophobicContact CD1-CD1 3.67Å; I373-Y397 HydrophobicContact CD1-CE1 4.36Å; I373-Y397 HydrophobicContact CD1-CG 3.82Å; I373-Y397 HydrophobicContact CG1-CD1 4.45Å; I373-Y397 HydrophobicContact CG1-CG 4.31Å; I373-Y397 HydrophobicContact CG2-CD1 3.83Å; I373-Y397 HydrophobicContact CG2-CD2 3.96Å; I373-Y397 HydrophobicContact CG2-CE1 3.55Å; I373-Y397 HydrophobicContact CG2-CE2 3.68Å; I373-Y397 HydrophobicContact CG2-CG 4.02Å; I373-Y397 VanDerWaalsContact CG2-CZ 3.46Å; I373-F398 HydrophobicContact CD1-CE2 4.41Å
374	M	96.1	Very high	96	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.015	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-41.9	178.1	-60.3	-62.7	91.9	0	0	111.7	Y57 Y236 Y237 E370 P371 V372 E377 R378	Y57-M374 HydrophobicContact CD2-CE 3.66Å; Y57-M374 HydrophobicContact CE2-CE 3.37Å; Y57-M374 HydrophobicContact CE2-SD 4.13Å; Y236-M374 HydrophobicContact CD1-SD 4.26Å; Y236-M374 HydrophobicContact CE1-CB 4.36Å; Y236-M374 HydrophobicContact CE1-CG 3.73Å; Y236-M374 HydrophobicContact CE1-SD 3.94Å; Y237-M374 HydrophobicContact CD2-CE 3.54Å; Y237-M374 HydrophobicContact CD2-SD 3.83Å; Y237-M374 HydrophobicContact CE2-CE 3.82Å; E370-M374 WeakPolarHBondContact O-CG 3.17Å; E370-M374 PolarHBondContact O-N 2.82Å; E370-M374 VanDerWaalsContact O-N 3.1Å; P371-M374 PolarHBondContact O-N 2.78Å; V372-M374 VanDerWaalsContact C-N 3.33Å; V372-M374 PolarHBondContact O-N 2.92Å; M374-E377 PolarHBondContact O-N 3.21Å; M374-R378 PolarHBondContact O-N 2.82Å
375	E	96.2	Very high	96.1	Very high	36 Å²	36	26.6 Å²	26.6	17%	0.168	12%	0.123	C	C	.	.	H	α-helix	trans	-71.8	-39.5	177.7	-166.5	61.4	-161.9	0	0	111.8	W296 W317 P371 V372 I373 E377 R378 Q379	W296-E375 HydrophobicContact CH2-CB 3.64Å; W296-E375 HydrophobicContact CH2-CG 3.38Å; W296-E375 HydrophobicContact CZ2-CB 4.32Å; W296-E375 HydrophobicContact CZ2-CG 3.56Å; W296-E375 HydrophobicContact CZ3-CB 4.34Å; W296-E375 HydrophobicContact CZ3-CG 4.42Å; W317-E375 HydrophobicContact CH2-CB 3.94Å; W317-E375 HydrophobicContact CH2-CG 3.89Å; W317-E375 HydrophobicContact CZ2-CG 4.11Å; P371-E375 PolarHBondContact O-N 2.56Å; P371-E375 VanDerWaalsContact O-N 3.1Å; V372-E375 PolarHBondContact O-N 3.43Å; I373-E375 VanDerWaalsContact C-N 3.3Å; I373-E375 PolarHBondContact O-N 3.41Å; E375-E377 PolarHBondContact O-N 3.47Å; E375-R378 WeakPolarHBondContact O-CB 3.37Å; E375-R378 PolarHBondContact O-N 2.81Å; E375-R378 IonicContact OE1-CZ 3.98Å; E375-R378 IonicContact OE1-NE 2.73Å; E375-R378 PolarHBondContact OE1-NE 2.87Å; E375-R378 IonicContact OE1-NH2 3.94Å; E375-R378 PolarHBondContact OE1-NH2 2.76Å; E375-R378 IonicContact OE2-CZ 2.74Å; E375-R378 IonicContact OE2-NE 3.97Å; E375-R378 PolarHBondContact OE2-NE 3.27Å; E375-R378 IonicContact OE2-NH2 2.7Å; E375-R378 PolarHBondContact OE2-NH2 2.91Å; E375-Q379 HydrophobicContact CG-CG 4.27Å; E375-Q379 VanDerWaalsContact O-CG 3.31Å; E375-Q379 WeakPolarHBondContact O-CG 3.41Å; E375-Q379 PolarHBondContact O-N 2.94Å; E375-Q379 PolarHBondContact OE1-NE2 3.24Å
376	L	95.4	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-31	172.2	-75.1	177.7	0	0	0	112.5	R246 I248 W296 V372 I373 R378 V382 V384 L394 F398	R246-L376 PolarHBondContact NH2-O 3.04Å; I248-L376 HydrophobicContact CG2-CD2 4.23Å; W296-L376 HydrophobicContact CE3-CD2 4.02Å; W296-L376 HydrophobicContact CE3-CG 4.49Å; W296-L376 HydrophobicContact CH2-CD2 3.87Å; W296-L376 HydrophobicContact CH2-CG 4.16Å; W296-L376 HydrophobicContact CZ3-CD2 3.4Å; W296-L376 HydrophobicContact CZ3-CG 3.6Å; V372-L376 HydrophobicContact CG1-CD1 4.36Å; V372-L376 HydrophobicContact CG1-CG 4.43Å; V372-L376 WeakPolarHBondContact O-CG 3.44Å; V372-L376 PolarHBondContact O-N 3.28Å; I373-L376 HydrophobicContact CD1-CD1 4.39Å; I373-L376 PolarHBondContact O-N 3.05Å; L376-R378 VanDerWaalsContact C-N 3.26Å; L376-V382 HydrophobicContact CD2-CB 4.03Å; L376-V382 HydrophobicContact CD2-CG1 3.85Å; L376-V382 HydrophobicContact CD2-CG2 4.3Å; L376-V384 HydrophobicContact CD2-CG2 3.95Å; L376-L394 HydrophobicContact CD1-CD2 4.15Å; L376-F398 HydrophobicContact CB-CZ 4.2Å; L376-F398 HydrophobicContact CD1-CE2 3.85Å; L376-F398 HydrophobicContact CD1-CZ 4.02Å
377	E	93.6	Very high	96.2	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.009	12%	0.123	C	C	.	.	H	α-helix	trans	-71.5	-23.7	176.9	-78.1	-66.3	-178.2	0	0	113.4	K53 Y237 N240 I241 H242 R246 I373 M374 E375 Y397	K53-E377 WeakPolarHBondContact CE-OE1 3.44Å; K53-E377 WeakPolarHBondContact CE-OE2 3.49Å; K53-E377 IonicContact NZ-OE1 3.7Å; K53-E377 IonicContact NZ-OE2 2.95Å; K53-E377 PolarHBondContact NZ-OE2 3.08Å; Y237-E377 HydrophobicContact CE2-CG 4.33Å; N240-E377 CarbonylContact O-C 3.58Å; N240-E377 VanDerWaalsContact O-C 3.26Å; N240-E377 VanDerWaalsContact O-O 3.09Å; I241-E377 HydrophobicContact CG2-CB 4.18Å; I241-E377 HydrophobicContact CG2-CG 4.29Å; H242-E377 PolarHBondContact CD2-O 3.22Å; H242-E377 PolarHBondContact NE2-O 2.94Å; R246-E377 IonicContact CZ-OE2 3.79Å; R246-E377 PolarHBondContact NH2-O 2.94Å; R246-E377 VanDerWaalsContact NH2-O 3.08Å; R246-E377 IonicContact NH2-OE2 3.38Å; R246-E377 PolarHBondContact NH2-OE2 3.35Å; I373-E377 HydrophobicContact CG2-CG 4.42Å; I373-E377 WeakPolarHBondContact O-CB 3.2Å; I373-E377 WeakPolarHBondContact O-CG 3.4Å; I373-E377 PolarHBondContact O-N 3.48Å; M374-E377 PolarHBondContact O-N 3.21Å; E375-E377 PolarHBondContact O-N 3.47Å; E377-Y397 HydrophobicContact CG-CE1 4.42Å; E377-Y397 WeakPolarHBondContact OE1-CE1 3.45Å; E377-Y397 PolarHBondContact OE1-OH 3.26Å
378	R	92.4	Very high	96.4	Very high	133 Å²	133	23.4 Å²	23.4	50%	0.502	11%	0.108	S	C	.	.	H	α-helix	trans	-93	-28	-178.4	-166.8	175.5	78.7	104.3	-2.2	113.8	N240 M374 E375 L376	N240-R378 WeakPolarHBondContact O-CA 3.39Å; N240-R378 PolarHBondContact O-N 3.4Å; M374-R378 PolarHBondContact O-N 2.82Å; E375-R378 WeakPolarHBondContact O-CB 3.37Å; E375-R378 PolarHBondContact O-N 2.81Å; E375-R378 IonicContact OE1-CZ 3.98Å; E375-R378 IonicContact OE1-NE 2.73Å; E375-R378 PolarHBondContact OE1-NE 2.87Å; E375-R378 IonicContact OE1-NH2 3.94Å; E375-R378 PolarHBondContact OE1-NH2 2.76Å; E375-R378 IonicContact OE2-CZ 2.74Å; E375-R378 IonicContact OE2-NE 3.97Å; E375-R378 PolarHBondContact OE2-NE 3.27Å; E375-R378 IonicContact OE2-NH2 2.7Å; E375-R378 PolarHBondContact OE2-NH2 2.91Å; L376-R378 VanDerWaalsContact C-N 3.26Å
379	Q	93	Very high	96.5	Very high	22 Å²	22	20.9 Å²	20.9	10%	0.103	10%	0.099	C	C	.	.			trans	-85.8	158.4	-177.2	-66.7	-53.5	-34.7	0	0	112.9	H242 R246 K294 W296 E375 V382	H242-Q379 PolarHBondContact NE2-O 3.08Å; R246-Q379 WeakPolarHBondContact CD-O 3.48Å; R246-Q379 PolarHBondContact NE-O 2.82Å; R246-Q379 VanDerWaalsContact NE-O 3.11Å; K294-Q379 HydrophobicContact CD-CG 4.27Å; W296-Q379 HydrophobicContact CH2-CG 4.13Å; W296-Q379 HydrophobicContact CZ2-CG 3.81Å; E375-Q379 HydrophobicContact CG-CG 4.27Å; E375-Q379 VanDerWaalsContact O-CG 3.31Å; E375-Q379 WeakPolarHBondContact O-CG 3.41Å; E375-Q379 PolarHBondContact O-N 2.94Å; E375-Q379 PolarHBondContact OE1-NE2 3.24Å; Q379-V382 HydrophobicContact CB-CG2 3.37Å; Q379-V382 HydrophobicContact CG-CG2 4.05Å
380	E	91.8	Very high	96.5	Very high	98 Å²	98	20.9 Å²	20.9	46%	0.458	10%	0.099	S	C	.	.	S	Bend	trans	-84.7	-103.7	170.8	-64.8	-177.8	-164.4	0	0	111.7	R246	R246-E380 HydrophobicContact CB-CB 4.45Å; R246-E380 WeakPolarHBondContact CD-O 3.47Å
381	N	94.6	Very high	96.6	Very high	27 Å²	27	19.9 Å²	19.9	14%	0.144	10%	0.095	C	C	.	.	S	Bend	trans	-83.6	118.2	-178.4	-60.3	-47.1	0	0	0	110.4	T247 K291 L293 K294	T247-N381 PolarHBondContact N-OD1 2.88Å; T247-N381 WeakPolarHBondContact O-CA 3.46Å; K291-N381 PolarHBondContact O-ND2 3.5Å; L293-N381 HydrophobicContact CD1-CB 4.22Å; K294-N381 PolarHBondContact N-O 2.77Å
382	V	97.4	Very high	96.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.006	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134	-179.9	-172.7	0	0	0	0	110.5	T247 I248 Y249 K294 W296 L376 Q379 V384	T247-V382 PolarHBondContact O-N 3.14Å; I248-V382 CarbonylContact C-O 3.59Å; I248-V382 WeakPolarHBondContact CA-O 3Å; Y249-V382 PolarHBondContact N-O 3.45Å; K294-V382 HydrophobicContact CB-CG2 4.4Å; K294-V382 CarbonylContact O-C 3.58Å; K294-V382 WeakPolarHBondContact O-CA 3.43Å; W296-V382 HydrophobicContact CD2-CG1 3.8Å; W296-V382 HydrophobicContact CE3-CG1 4.01Å; W296-V382 HydrophobicContact CG-CG1 4.24Å; W296-V382 HydrophobicContact CH2-CG1 4.4Å; W296-V382 HydrophobicContact CZ2-CG1 4.27Å; W296-V382 HydrophobicContact CZ3-CG1 4.34Å; L376-V382 HydrophobicContact CD2-CB 4.03Å; L376-V382 HydrophobicContact CD2-CG1 3.85Å; L376-V382 HydrophobicContact CD2-CG2 4.3Å; Q379-V382 HydrophobicContact CB-CG2 3.37Å; Q379-V382 HydrophobicContact CG-CG2 4.05Å; V382-V384 HydrophobicContact CG1-CG2 3.94Å
383	L	98.4	Very high	96.6	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.4	165.2	170.7	63.4	0	0	0	109.3	Y249 L281 V285 L293 K294 V295 W296 L310 V385	Y249-L383 CarbonylContact O-C 3.59Å; Y249-L383 WeakPolarHBondContact O-CA 3.44Å; L281-L383 HydrophobicContact CD2-CD2 4.46Å; V285-L383 HydrophobicContact CG2-CD2 3.94Å; L293-L383 HydrophobicContact CD1-CB 4.05Å; L293-L383 HydrophobicContact CD2-CB 4.39Å; K294-L383 PolarHBondContact O-N 3.13Å; V295-L383 CarbonylContact C-O 3.52Å; V295-L383 WeakPolarHBondContact CA-O 3.3Å; V295-L383 HydrophobicContact CG1-CD2 4.47Å; V295-L383 HydrophobicContact CG2-CB 4.44Å; V295-L383 HydrophobicContact CG2-CD2 4.43Å; W296-L383 PolarHBondContact N-O 3.07Å; L310-L383 HydrophobicContact CD1-CD2 3.73Å; L383-V385 HydrophobicContact CD2-CG2 4.38Å; L383-V385 HydrophobicContact CG-CG2 4.2Å
384	V	98.8	Very high	96.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.8	174.9	-172.1	0	0	0	0	109.5	Y249 L250 C251 W296 L320 L376 V382 C386 L394	Y249-V384 PolarHBondContact O-N 3.15Å; L250-V384 HydrophobicContact CD2-CB 3.71Å; L250-V384 HydrophobicContact CD2-CG2 3.86Å; C251-V384 PolarHBondContact N-O 3.15Å; C251-V384 VanDerWaalsContact O-O 3.09Å; W296-V384 HydrophobicContact CE3-CG2 4.09Å; L320-V384 HydrophobicContact CD1-CG1 3.75Å; L320-V384 HydrophobicContact CD2-CG1 4.01Å; L376-V384 HydrophobicContact CD2-CG2 3.95Å; V382-V384 HydrophobicContact CG1-CG2 3.94Å; V384-C386 HydrophobicContact CG1-CB 4.13Å; V384-L394 HydrophobicContact CG1-CD1 4.16Å
385	V	98.8	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	103.9	173	-173.5	0	0	0	0	108.5	C251 H253 W296 T297 T306 L383	C251-V385 WeakPolarHBondContact O-CA 3.38Å; H253-V385 HydrophobicContact CB-CG1 4.47Å; W296-V385 PolarHBondContact O-N 2.78Å; T297-V385 WeakPolarHBondContact CA-O 3.33Å; T297-V385 HydrophobicContact CG2-CB 4.36Å; T306-V385 HydrophobicContact CG2-CG1 3.77Å; L383-V385 HydrophobicContact CD2-CG2 4.38Å; L383-V385 HydrophobicContact CG-CG2 4.2Å
386	C	98.4	Very high	96.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	-147	-172.1	63.4	0	0	0	0	112.2	C251 R252 H253 L320 V384 V390	C251-C386 PolarHBondContact O-N 2.57Å; R252-C386 CarbonylContact C-O 3.54Å; R252-C386 VanDerWaalsContact CA-O 3.27Å; R252-C386 WeakPolarHBondContact CA-O 3.49Å; H253-C386 PolarHBondContact CD2-O 3.19Å; H253-C386 VanDerWaalsContact CD2-O 3.22Å; H253-C386 PolarHBondContact N-O 3.34Å; L320-C386 HydrophobicContact CD2-CB 4.38Å; V384-C386 HydrophobicContact CG1-CB 4.13Å; C386-V390 HydrophobicContact CB-CB 4.36Å; C386-V390 HydrophobicContact CB-CG1 4.06Å
387	H	98.6	Very high	96.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.068	C	C	.	.			trans	-128.8	178.1	-172	-49	-83.3	0	0	0	112.2	H253 S298 R302 L320 E322 V390 M391	H253-H387 AromaticContact CD2-CE1 3.65Å; H253-H387 AromaticContact CD2-CG 3.99Å; H253-H387 AromaticContact CD2-ND1 3.05Å; H253-H387 PolarHBondContact CD2-ND1 3.49Å; H253-H387 AromaticContact NE2-ND1 3.28Å; H253-H387 PolarHBondContact NE2-ND1 2.81Å; S298-H387 VanDerWaalsContact CB-NE2 3.33Å; S298-H387 WeakPolarHBondContact CB-NE2 3.47Å; S298-H387 PolarHBondContact OG-NE2 3.02Å; R302-H387 VanDerWaalsContact CZ-CE1 3.46Å; R302-H387 PolarHBondContact NE-CE1 3.41Å; R302-H387 PolarHBondContact NE-ND1 3.15Å; R302-H387 PolarHBondContact NH2-CE1 3.49Å; R302-H387 PolarHBondContact NH2-ND1 2.99Å; L320-H387 PolarHBondContact O-CD2 3.48Å; E322-H387 HydrophobicContact CB-CB 3.73Å; E322-H387 HydrophobicContact CG-CB 3.92Å; E322-H387 PolarHBondContact N-CD2 3.23Å; E322-H387 WeakPolarHBondContact OE1-CB 3.14Å; E322-H387 WeakPolarHBondContact OE2-CB 3.27Å; H387-V390 HydrophobicContact CB-CG2 4.48Å; H387-M391 WeakPolarHBondContact O-CB 3.39Å; H387-M391 PolarHBondContact O-N 3.45Å
388	Q	98.1	Very high	96.8	Very high	21 Å²	21	15.3 Å²	15.3	10%	0.098	7%	0.068	C	C	.	.	H	α-helix	trans	-67.2	-49.8	-169.7	-175.9	170.4	-55.8	0	0	112.2	R252 E322 R392 T440	R252-Q388 VanDerWaalsContact NH1-OE1 3.1Å; E322-Q388 PolarHBondContact OE2-N 3.26Å; Q388-R392 WeakPolarHBondContact O-CD 3.47Å; Q388-R392 WeakPolarHBondContact O-CG 3.29Å; Q388-R392 PolarHBondContact O-N 2.99Å; Q388-T440 PolarHBondContact NE2-O 3.39Å; Q388-T440 PolarHBondContact OE1-O 3.26Å; Q388-T440 PolarHBondContact OE1-OG1 2.94Å
389	A	98.1	Very high	96.9	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.025	6%	0.058	C	C	.	.	H	α-helix	trans	-71.1	-38.4	-177.9	0	0	0	0	0	111.4	E322 I323 Y362 L365 R392 C393	E322-A389 WeakPolarHBondContact OE1-CB 3.39Å; E322-A389 PolarHBondContact OE1-N 3.27Å; E322-A389 PolarHBondContact OE2-N 3.34Å; I323-A389 HydrophobicContact CB-CB 3.83Å; I323-A389 HydrophobicContact CG2-CB 3.6Å; Y362-A389 HydrophobicContact CE1-CB 3.86Å; L365-A389 HydrophobicContact CD2-CB 3.74Å; A389-R392 WeakPolarHBondContact O-CB 3.38Å; A389-R392 PolarHBondContact O-N 3.19Å; A389-C393 PolarHBondContact O-N 3.33Å; A389-C393 VanDerWaalsContact O-N 3.12Å; A389-C393 PolarHBondContact O-SG 3.23Å
390	V	98.4	Very high	96.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-62.8	-50	177.6	-178	0	0	0	0	111.3	L320 N321 L365 V369 C386 H387 R392 C393 L394	L320-V390 HydrophobicContact CD2-CG1 3.69Å; N321-V390 WeakPolarHBondContact O-CG2 3.5Å; L365-V390 HydrophobicContact CD1-CG2 3.98Å; L365-V390 HydrophobicContact CD2-CG2 4.29Å; V369-V390 HydrophobicContact CG2-CG1 4.3Å; C386-V390 HydrophobicContact CB-CB 4.36Å; C386-V390 HydrophobicContact CB-CG1 4.06Å; H387-V390 HydrophobicContact CB-CG2 4.48Å; V390-R392 PolarHBondContact O-N 3.28Å; V390-C393 WeakPolarHBondContact O-CB 3.45Å; V390-C393 PolarHBondContact O-N 3.05Å; V390-L394 HydrophobicContact CG1-CD1 4.33Å; V390-L394 WeakPolarHBondContact O-CG 3.07Å; V390-L394 PolarHBondContact O-N 2.76Å
391	M	98.5	Very high	97	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-60.4	-35.9	179.3	-172	171.5	172.1	0	0	111.7	L250 R252 H387 L395 C411 L417	L250-M391 HydrophobicContact CB-CE 3.87Å; L250-M391 HydrophobicContact CB-CG 4.33Å; L250-M391 WeakPolarHBondContact O-CE 3.43Å; R252-M391 HydrophobicContact CG-SD 3.79Å; H387-M391 WeakPolarHBondContact O-CB 3.39Å; H387-M391 PolarHBondContact O-N 3.45Å; M391-L395 WeakPolarHBondContact O-CB 3.41Å; M391-L395 PolarHBondContact O-N 3.28Å; M391-C411 HydrophobicContact CB-CB 4.38Å; M391-C411 HydrophobicContact CE-CB 4.29Å; M391-C411 HydrophobicContact CG-CB 4.12Å; M391-C411 HydrophobicContact SD-CB 3.8Å; M391-L417 HydrophobicContact CE-CB 4.05Å; M391-L417 HydrophobicContact CE-CD1 3.42Å; M391-L417 VanDerWaalsContact CE-CD1 3.42Å; M391-L417 HydrophobicContact CE-CG 3.49Å; M391-L417 VanDerWaalsContact CE-CG 3.49Å
392	R	98.4	Very high	96.8	Very high	3 Å²	3	10.7 Å²	10.7	1%	0.011	6%	0.055	C	C	.	.	H	α-helix	trans	-63.7	-42	173.7	-72.3	168.8	167.7	-178.5	-13.8	112.6	Y362 Q388 A389 V390 L395 A396 M406 P407 L409 H441	Y362-R392 HydrophobicContact CE1-CB 4.32Å; Y362-R392 PolarHBondContact OH-NH1 2.85Å; Y362-R392 VanDerWaalsContact OH-NH1 3.14Å; Q388-R392 WeakPolarHBondContact O-CD 3.47Å; Q388-R392 WeakPolarHBondContact O-CG 3.29Å; Q388-R392 PolarHBondContact O-N 2.99Å; A389-R392 WeakPolarHBondContact O-CB 3.38Å; A389-R392 PolarHBondContact O-N 3.19Å; V390-R392 PolarHBondContact O-N 3.28Å; R392-L395 PolarHBondContact O-N 3.18Å; R392-A396 VanDerWaalsContact O-CB 3.24Å; R392-A396 WeakPolarHBondContact O-CB 3.44Å; R392-A396 PolarHBondContact O-N 3.23Å; R392-M406 WeakPolarHBondContact CB-O 3.4Å; R392-P407 PolarHBondContact NH1-O 3.49Å; R392-L409 HydrophobicContact CG-CB 4.08Å; R392-L409 PolarHBondContact NE-O 3.43Å; R392-L409 PolarHBondContact NH2-O 3.18Å; R392-L409 VanDerWaalsContact NH2-O 3.15Å; R392-H441 PolarHBondContact NH2-CE1 3.04Å; R392-H441 PolarHBondContact NH2-ND1 2.88Å; R392-H441 VanDerWaalsContact NH2-ND1 3.15Å
393	C	97.9	Very high	96.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.2	-45.4	177.4	-65	0	0	0	0	111.6	W60 L365 A389 V390 A396 Y397 M406	W60-C393 PolarHBondContact NE1-O 3.22Å; L365-C393 WeakPolarHBondContact CD2-SG 3.47Å; A389-C393 PolarHBondContact O-N 3.33Å; A389-C393 VanDerWaalsContact O-N 3.12Å; A389-C393 PolarHBondContact O-SG 3.23Å; V390-C393 WeakPolarHBondContact O-CB 3.45Å; V390-C393 PolarHBondContact O-N 3.05Å; C393-A396 PolarHBondContact O-N 3.25Å; C393-Y397 PolarHBondContact O-N 2.97Å; C393-M406 HydrophobicContact CB-SD 4.34Å
394	L	98	Very high	96	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.2	-47.1	175.2	-64.7	176.7	0	0	0	111.2	L250 L320 V369 V372 I373 L376 V384 V390 A396 Y397 F398	L250-L394 HydrophobicContact CD1-CB 3.99Å; L250-L394 HydrophobicContact CD2-CD1 4.11Å; L320-L394 HydrophobicContact CD2-CD1 4.28Å; V369-L394 HydrophobicContact CG1-CD2 3.36Å; V369-L394 HydrophobicContact CG1-CG 4.16Å; V372-L394 HydrophobicContact CG1-CD2 4.29Å; I373-L394 HydrophobicContact CD1-CD2 3.48Å; I373-L394 VanDerWaalsContact CD1-CD2 3.48Å; I373-L394 HydrophobicContact CG1-CD2 4.28Å; L376-L394 HydrophobicContact CD1-CD2 4.15Å; V384-L394 HydrophobicContact CG1-CD1 4.16Å; V390-L394 HydrophobicContact CG1-CD1 4.33Å; V390-L394 WeakPolarHBondContact O-CG 3.07Å; V390-L394 PolarHBondContact O-N 2.76Å; L394-A396 VanDerWaalsContact C-N 3.34Å; L394-A396 PolarHBondContact O-N 2.92Å; L394-Y397 WeakPolarHBondContact O-CB 3.49Å; L394-Y397 PolarHBondContact O-N 3.14Å; L394-F398 VanDerWaalsContact O-CD2 3.26Å; L394-F398 WeakPolarHBondContact O-CD2 3.26Å; L394-F398 PolarHBondContact O-N 3.2Å
395	L	96.8	Very high	95.6	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.042	8%	0.083	C	C	.	.	H	α-helix	trans	-64.4	-40.1	-179.6	-173.3	64	0	0	0	111.6	M391 R392 Y397 F398 L399 L409 L417 L419	M391-L395 WeakPolarHBondContact O-CB 3.41Å; M391-L395 PolarHBondContact O-N 3.28Å; R392-L395 PolarHBondContact O-N 3.18Å; L395-Y397 VanDerWaalsContact C-N 3.27Å; L395-Y397 PolarHBondContact O-N 3.4Å; L395-F398 PolarHBondContact O-N 3.24Å; L395-L399 HydrophobicContact CD1-CD1 3.61Å; L395-L399 HydrophobicContact CD1-CG 3.84Å; L395-L399 HydrophobicContact CD2-CD1 4.17Å; L395-L399 HydrophobicContact CG-CD1 3.67Å; L395-L399 HydrophobicContact CG-CG 4.15Å; L395-L399 VanDerWaalsContact O-CB 3.26Å; L395-L399 WeakPolarHBondContact O-CB 3.12Å; L395-L399 PolarHBondContact O-N 3.13Å; L395-L409 HydrophobicContact CB-CD1 4.26Å; L395-L409 HydrophobicContact CD2-CB 4.31Å; L395-L409 HydrophobicContact CD2-CD1 4.25Å; L395-L409 HydrophobicContact CG-CD1 4.25Å; L395-L417 HydrophobicContact CD1-CD1 4.12Å; L395-L417 HydrophobicContact CD2-CD1 3.9Å; L395-L419 HydrophobicContact CD1-CD2 4.04Å
396	A	96.4	Very high	95.4	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.008	8%	0.083	C	C	.	.	H	α-helix	trans	-62	-35.2	176.7	0	0	0	0	0	112.5	R392 C393 L394 D400 K401 M406 L409	R392-A396 VanDerWaalsContact O-CB 3.24Å; R392-A396 WeakPolarHBondContact O-CB 3.44Å; R392-A396 PolarHBondContact O-N 3.23Å; C393-A396 PolarHBondContact O-N 3.25Å; L394-A396 VanDerWaalsContact C-N 3.34Å; L394-A396 PolarHBondContact O-N 2.92Å; A396-D400 WeakPolarHBondContact O-CA 3.42Å; A396-D400 PolarHBondContact O-N 3.25Å; A396-K401 HydrophobicContact CB-CB 3.93Å; A396-K401 PolarHBondContact O-N 3.09Å; A396-M406 HydrophobicContact CB-CB 3.83Å; A396-M406 HydrophobicContact CB-CE 3.68Å; A396-M406 HydrophobicContact CB-CG 3.65Å; A396-M406 HydrophobicContact CB-SD 4.33Å; A396-L409 HydrophobicContact CB-CD1 3.84Å
397	Y	96.1	Very high	95.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.5	-53.5	171.8	171.3	-99.9	0	0	0	111.7	R56 Y57 W60 Y237 I373 E377 C393 L394 L395 L399 D400	R56-Y397 WeakPolarHBondContact CD-O 3.43Å; R56-Y397 WeakPolarHBondContact CG-O 3.42Å; R56-Y397 PolarHBondContact NE-O 3.07Å; Y57-Y397 HydrophobicContact CD2-CE2 4.4Å; W60-Y397 HydrophobicContact CB-CD2 4Å; W60-Y397 HydrophobicContact CD2-CD2 4.01Å; W60-Y397 HydrophobicContact CD2-CG 4.46Å; W60-Y397 HydrophobicContact CE3-CD2 4.29Å; W60-Y397 AromaticContact CG-CD2 3.87Å; W60-Y397 HydrophobicContact CG-CD2 3.87Å; W60-Y397 HydrophobicContact CG-CG 4.41Å; Y237-Y397 PolarHBondContact OH-OH 3.43Å; I373-Y397 HydrophobicContact CD1-CD1 3.67Å; I373-Y397 HydrophobicContact CD1-CE1 4.36Å; I373-Y397 HydrophobicContact CD1-CG 3.82Å; I373-Y397 HydrophobicContact CG1-CD1 4.45Å; I373-Y397 HydrophobicContact CG1-CG 4.31Å; I373-Y397 HydrophobicContact CG2-CD1 3.83Å; I373-Y397 HydrophobicContact CG2-CD2 3.96Å; I373-Y397 HydrophobicContact CG2-CE1 3.55Å; I373-Y397 HydrophobicContact CG2-CE2 3.68Å; I373-Y397 HydrophobicContact CG2-CG 4.02Å; I373-Y397 VanDerWaalsContact CG2-CZ 3.46Å; E377-Y397 HydrophobicContact CG-CE1 4.42Å; E377-Y397 WeakPolarHBondContact OE1-CE1 3.45Å; E377-Y397 PolarHBondContact OE1-OH 3.26Å; C393-Y397 PolarHBondContact O-N 2.97Å; L394-Y397 WeakPolarHBondContact O-CB 3.49Å; L394-Y397 PolarHBondContact O-N 3.14Å; L395-Y397 VanDerWaalsContact C-N 3.27Å; L395-Y397 PolarHBondContact O-N 3.4Å; Y397-L399 VanDerWaalsContact C-N 3.34Å; Y397-L399 PolarHBondContact O-N 3.45Å; Y397-D400 PolarHBondContact O-N 3.47Å
398	F	94.7	Very high	95.3	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-69.1	-32.4	-175.8	-73.2	-70.4	0	0	0	113.4	R56 I248 I373 L376 L394 L395 L419 C426	R56-F398 PolarHBondContact NH1-O 2.98Å; I248-F398 HydrophobicContact CD1-CE1 3.62Å; I248-F398 HydrophobicContact CD1-CE2 4.22Å; I248-F398 HydrophobicContact CD1-CZ 3.41Å; I248-F398 VanDerWaalsContact CD1-CZ 3.41Å; I373-F398 HydrophobicContact CD1-CE2 4.41Å; L376-F398 HydrophobicContact CB-CZ 4.2Å; L376-F398 HydrophobicContact CD1-CE2 3.85Å; L376-F398 HydrophobicContact CD1-CZ 4.02Å; L394-F398 VanDerWaalsContact O-CD2 3.26Å; L394-F398 WeakPolarHBondContact O-CD2 3.26Å; L394-F398 PolarHBondContact O-N 3.2Å; L395-F398 PolarHBondContact O-N 3.24Å; F398-L419 HydrophobicContact CB-CD1 4.05Å; F398-L419 HydrophobicContact CD2-CD1 3.58Å; F398-L419 HydrophobicContact CE2-CD1 4.23Å; F398-L419 HydrophobicContact CG-CD1 3.85Å; F398-C426 HydrophobicContact CB-CB 4.29Å; F398-C426 WeakPolarHBondContact O-CB 3.36Å
399	L	93.8	Very high	95.1	Very high	55 Å²	55	18.1 Å²	18.1	29%	0.288	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	1.9	179.5	-68.9	-172.6	0	0	0	114.6	L395 Y397 K401 V428	L395-L399 HydrophobicContact CD1-CD1 3.61Å; L395-L399 HydrophobicContact CD1-CG 3.84Å; L395-L399 HydrophobicContact CD2-CD1 4.17Å; L395-L399 HydrophobicContact CG-CD1 3.67Å; L395-L399 HydrophobicContact CG-CG 4.15Å; L395-L399 VanDerWaalsContact O-CB 3.26Å; L395-L399 WeakPolarHBondContact O-CB 3.12Å; L395-L399 PolarHBondContact O-N 3.13Å; Y397-L399 VanDerWaalsContact C-N 3.34Å; Y397-L399 PolarHBondContact O-N 3.45Å; L399-K401 VanDerWaalsContact C-N 3.34Å; L399-K401 HydrophobicContact CB-CG 3.75Å; L399-K401 PolarHBondContact O-N 2.84Å; L399-V428 HydrophobicContact CD1-CG2 4.34Å; L399-V428 HydrophobicContact CD2-CG2 3.37Å; L399-V428 HydrophobicContact CG-CG2 4.15Å
400	D	93.6	Very high	95	Very high	41 Å²	41	24.8 Å²	24.8	22%	0.219	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	48.4	-179.1	-167.9	39.5	0	0	0	112.5	R56 A396 Y397 T465 S466	R56-D400 HydrophobicContact CG-CB 4.01Å; A396-D400 WeakPolarHBondContact O-CA 3.42Å; A396-D400 PolarHBondContact O-N 3.25Å; Y397-D400 PolarHBondContact O-N 3.47Å; D400-T465 WeakPolarHBondContact O-CG2 3.43Å; D400-S466 VanDerWaalsContact CG-OG 3.3Å; D400-S466 PolarHBondContact OD1-N 3.02Å; D400-S466 PolarHBondContact OD1-OG 2.89Å; D400-S466 WeakPolarHBondContact OD2-CA 3.34Å; D400-S466 WeakPolarHBondContact OD2-CB 3.39Å; D400-S466 PolarHBondContact OD2-N 3.38Å; D400-S466 PolarHBondContact OD2-OG 3.07Å
401	K	93.3	Very high	94.9	Very high	66 Å²	66	25 Å²	25	29%	0.287	12%	0.121	S	C	.	.			trans	-94.1	142.5	-178.1	-62.7	-64.6	-172.5	178.5	0	112	A396 L399 E405 L409	A396-K401 HydrophobicContact CB-CB 3.93Å; A396-K401 PolarHBondContact O-N 3.09Å; L399-K401 VanDerWaalsContact C-N 3.34Å; L399-K401 HydrophobicContact CB-CG 3.75Å; L399-K401 PolarHBondContact O-N 2.84Å; K401-E405 HydrophobicContact CB-CB 4.43Å; K401-E405 IonicContact NZ-OE1 2.75Å; K401-E405 PolarHBondContact NZ-OE1 3.43Å; K401-L409 HydrophobicContact CB-CD1 4.27Å; K401-L409 HydrophobicContact CG-CD1 4.23Å; K401-L409 HydrophobicContact CG-CD2 4.04Å
402	S	90.6	Very high	94.9	Very high	20 Å²	20	27.7 Å²	27.7	14%	0.14	14%	0.138	C	C	.	.			trans	-71.5	163.7	-176.4	63	0	0	0	0	112	D404 E405 M406 T465	S402-D404 PolarHBondContact O-N 2.84Å; S402-E405 PolarHBondContact N-OE2 3.21Å; S402-E405 PolarHBondContact O-N 3.29Å; S402-E405 WeakPolarHBondContact OG-CG 3.38Å; S402-E405 PolarHBondContact OG-N 3.08Å; S402-E405 PolarHBondContact OG-OE2 3.49Å; S402-M406 WeakPolarHBondContact O-CB 3.21Å; S402-M406 PolarHBondContact O-N 2.94Å; S402-T465 VanDerWaalsContact N-CG2 3.33Å
403	A	88.8	Confident	94.9	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.025	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-33.9	172.2	0	0	0	0	0	113.1	Y352 P407 T462 P463	Y352-A403 WeakPolarHBondContact CB-O 3.46Å; Y352-A403 HydrophobicContact CD1-CB 3.79Å; Y352-A403 HydrophobicContact CD2-CB 3.88Å; Y352-A403 WeakPolarHBondContact CD2-O 3.38Å; Y352-A403 HydrophobicContact CE1-CB 3.86Å; Y352-A403 HydrophobicContact CE2-CB 3.97Å; Y352-A403 HydrophobicContact CG-CB 3.81Å; A403-P407 WeakPolarHBondContact O-CD 3.39Å; A403-T462 HydrophobicContact CB-CG2 3.65Å; A403-P463 HydrophobicContact CB-CB 4.06Å; A403-P463 HydrophobicContact CB-CG 4.25Å; A403-P463 WeakPolarHBondContact CB-O 3.22Å; A403-P463 PolarHBondContact N-O 3.16Å
404	D	89.4	Confident	94.9	Very high	51 Å²	51	28.2 Å²	28.2	27%	0.273	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-36.1	-180	-169	61.8	0	0	0	112.1	S402 Y408 R444 R450	S402-D404 PolarHBondContact O-N 2.84Å; D404-Y408 VanDerWaalsContact O-CD2 3.3Å; D404-Y408 WeakPolarHBondContact O-CD2 3.37Å; D404-R444 IonicContact OD1-CZ 3.68Å; D404-R444 IonicContact OD1-NH1 2.93Å; D404-R444 PolarHBondContact OD1-NH1 2.84Å; D404-R444 IonicContact OD1-NH2 3.46Å; D404-R444 PolarHBondContact OD1-NH2 3.46Å; D404-R444 IonicContact OD2-CZ 3.66Å; D404-R444 IonicContact OD2-NH1 3.57Å; D404-R444 PolarHBondContact OD2-NH1 2.75Å; D404-R444 IonicContact OD2-NH2 3.49Å; D404-R450 IonicContact OD1-CZ 3.22Å; D404-R450 IonicContact OD1-NH1 3.19Å; D404-R450 IonicContact OD1-NH2 3.34Å; D404-R450 PolarHBondContact OD1-NH2 3.01Å; D404-R450 IonicContact OD2-NH1 3.41Å
405	E	91.6	Very high	94.9	Very high	68 Å²	68	28.8 Å²	28.8	32%	0.318	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-34.2	-179.8	-68.9	167.4	94.8	0	0	112.7	K401 S402 Y408 L409 T465	K401-E405 HydrophobicContact CB-CB 4.43Å; K401-E405 IonicContact NZ-OE1 2.75Å; K401-E405 PolarHBondContact NZ-OE1 3.43Å; S402-E405 PolarHBondContact N-OE2 3.21Å; S402-E405 PolarHBondContact O-N 3.29Å; S402-E405 WeakPolarHBondContact OG-CG 3.38Å; S402-E405 PolarHBondContact OG-N 3.08Å; S402-E405 PolarHBondContact OG-OE2 3.49Å; E405-Y408 CarbonylContact O-C 3.59Å; E405-Y408 PolarHBondContact O-N 3Å; E405-L409 PolarHBondContact O-N 3.27Å; E405-T465 WeakPolarHBondContact OE2-CG2 3.45Å
406	M	94.9	Very high	95	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-50.6	-50	-171.1	172.9	-166.6	-54.6	0	0	113.6	Y352 Y362 V366 R392 C393 A396 S402 Y408 L409	Y352-M406 HydrophobicContact CD2-SD 4.27Å; Y352-M406 HydrophobicContact CE2-CE 4.19Å; Y352-M406 HydrophobicContact CE2-SD 3.86Å; Y362-M406 HydrophobicContact CD1-CG 4.31Å; Y362-M406 HydrophobicContact CD1-SD 4.24Å; V366-M406 HydrophobicContact CG2-CE 3.9Å; V366-M406 HydrophobicContact CG2-SD 3.88Å; R392-M406 WeakPolarHBondContact CB-O 3.4Å; C393-M406 HydrophobicContact CB-SD 4.34Å; A396-M406 HydrophobicContact CB-CB 3.83Å; A396-M406 HydrophobicContact CB-CE 3.68Å; A396-M406 HydrophobicContact CB-CG 3.65Å; A396-M406 HydrophobicContact CB-SD 4.33Å; S402-M406 WeakPolarHBondContact O-CB 3.21Å; S402-M406 PolarHBondContact O-N 2.94Å; M406-Y408 PolarHBondContact O-N 2.94Å; M406-L409 PolarHBondContact O-N 2.99Å
407	P	97.1	Very high	95.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-67	-5	-179.4	-22.2	35.3	0	0	0	115.5	K351 Y352 Y362 R392 A403	K351-P407 HydrophobicContact CB-CB 4.12Å; K351-P407 HydrophobicContact CB-CG 4.44Å; K351-P407 HydrophobicContact CD-CB 3.69Å; K351-P407 HydrophobicContact CG-CB 3.76Å; K351-P407 HydrophobicContact CG-CG 4.46Å; K351-P407 PolarHBondContact NZ-O 2.87Å; Y352-P407 HydrophobicContact CD2-CG 4.32Å; Y362-P407 HydrophobicContact CD1-CB 4.41Å; Y362-P407 HydrophobicContact CD1-CG 4.19Å; Y362-P407 HydrophobicContact CD2-CB 4.04Å; Y362-P407 HydrophobicContact CD2-CG 4.01Å; Y362-P407 HydrophobicContact CE1-CB 4.17Å; Y362-P407 HydrophobicContact CE1-CG 4.43Å; Y362-P407 HydrophobicContact CE2-CB 3.8Å; Y362-P407 HydrophobicContact CE2-CG 4.28Å; Y362-P407 HydrophobicContact CG-CB 4.35Å; Y362-P407 HydrophobicContact CG-CG 3.98Å; R392-P407 PolarHBondContact NH1-O 3.49Å; A403-P407 WeakPolarHBondContact O-CD 3.39Å
408	Y	95.9	Very high	95.2	Very high	37 Å²	37	30.8 Å²	30.8	15%	0.145	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-120.7	4.4	-176.8	-54.5	-82.1	0	0	0	113	K351 D404 E405 M406 K410 H441 R444	K351-Y408 HydrophobicContact CB-CE2 4.32Å; K351-Y408 WeakPolarHBondContact CB-OH 3.35Å; K351-Y408 HydrophobicContact CD-CD1 4.38Å; K351-Y408 HydrophobicContact CD-CE1 3.65Å; K351-Y408 HydrophobicContact CD-CE2 4.22Å; D404-Y408 VanDerWaalsContact O-CD2 3.3Å; D404-Y408 WeakPolarHBondContact O-CD2 3.37Å; E405-Y408 CarbonylContact O-C 3.59Å; E405-Y408 PolarHBondContact O-N 3Å; M406-Y408 PolarHBondContact O-N 2.94Å; Y408-K410 PolarHBondContact O-N 2.94Å; Y408-H441 PolarHBondContact O-CE1 3.3Å; Y408-R444 HydrophobicContact CD1-CB 3.95Å; Y408-R444 HydrophobicContact CE1-CB 3.71Å; Y408-R444 HydrophobicContact CE1-CG 4.04Å
409	L	95.6	Very high	95.3	Very high	21 Å²	21	30.7 Å²	30.7	11%	0.11	15%	0.153	C	C	.	.			trans	-59.4	142	171.5	-64.4	173.4	0	0	0	110.7	R392 L395 A396 K401 E405 M406 C411	R392-L409 HydrophobicContact CG-CB 4.08Å; R392-L409 PolarHBondContact NE-O 3.43Å; R392-L409 PolarHBondContact NH2-O 3.18Å; R392-L409 VanDerWaalsContact NH2-O 3.15Å; L395-L409 HydrophobicContact CB-CD1 4.26Å; L395-L409 HydrophobicContact CD2-CB 4.31Å; L395-L409 HydrophobicContact CD2-CD1 4.25Å; L395-L409 HydrophobicContact CG-CD1 4.25Å; A396-L409 HydrophobicContact CB-CD1 3.84Å; K401-L409 HydrophobicContact CB-CD1 4.27Å; K401-L409 HydrophobicContact CG-CD1 4.23Å; K401-L409 HydrophobicContact CG-CD2 4.04Å; E405-L409 PolarHBondContact O-N 3.27Å; M406-L409 PolarHBondContact O-N 2.99Å; L409-C411 PolarHBondContact O-N 3.46Å
410	K	95.9	Very high	95.2	Very high	143 Å²	143	30 Å²	30	62%	0.622	15%	0.151	S	C	*	.			trans	-85	113.5	-178.9	-70.2	-174.7	177.6	-175.4	0	109.6	Y408	Y408-K410 PolarHBondContact O-N 2.94Å
411	C	96.7	Very high	94.9	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.034	15%	0.151	C	C	.	.			trans	-129.2	75.3	176.6	-57.9	0	0	0	0	108.2	R252 M391 L409	R252-C411 WeakPolarHBondContact CD-O 3.37Å; R252-C411 PolarHBondContact NH1-O 2.92Å; M391-C411 HydrophobicContact CB-CB 4.38Å; M391-C411 HydrophobicContact CE-CB 4.29Å; M391-C411 HydrophobicContact CG-CB 4.12Å; M391-C411 HydrophobicContact SD-CB 3.8Å; L409-C411 PolarHBondContact O-N 3.46Å
412	P	97.4	Very high	94.3	Very high	56 Å²	56	30.3 Å²	30.3	36%	0.364	16%	0.16	S	C	.	.			trans	-64.8	156.7	-176.5	26.1	-32.2	0	0	0	111.8	T415	P412-T415 HydrophobicContact CG-CG2 4.21Å
413	L	98.1	Very high	93.2	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.063	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	157.3	168.4	-76.9	171.3	0	0	0	110.2	R252 H253 E255 N259 T415 A437 V438 T440	R252-L413 HydrophobicContact CB-CD2 4.1Å; H253-L413 WeakPolarHBondContact O-CD2 3.42Å; E255-L413 HydrophobicContact CB-CD1 4.22Å; E255-L413 HydrophobicContact CG-CD1 4.31Å; N259-L413 HydrophobicContact CB-CD1 4.47Å; L413-T415 PolarHBondContact O-N 3.43Å; L413-T415 VanDerWaalsContact O-N 3.07Å; L413-T415 PolarHBondContact O-OG1 3.46Å; L413-A437 HydrophobicContact CB-CB 3.54Å; L413-A437 HydrophobicContact CD1-CB 3.93Å; L413-A437 HydrophobicContact CG-CB 4.38Å; L413-V438 HydrophobicContact CD1-CG2 4.16Å; L413-T440 HydrophobicContact CD1-CG2 4.42Å
414	H	98.3	Very high	92.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	24.2	172.5	-56.7	175.9	0	0	0	116	E255 F277 L433 V435 E436	E255-H414 WeakPolarHBondContact CB-NE2 3.35Å; E255-H414 PolarHBondContact N-NE2 3.01Å; F277-H414 HydrophobicContact CB-CB 4.38Å; F277-H414 WeakPolarHBondContact CB-CD2 3.35Å; F277-H414 WeakPolarHBondContact CB-NE2 3.28Å; F277-H414 AromaticContact CD1-CD2 3.73Å; F277-H414 HydrophobicContact CD2-CB 3.54Å; F277-H414 AromaticContact CD2-CD2 3.77Å; F277-H414 AromaticContact CD2-CG 3.74Å; F277-H414 HydrophobicContact CE2-CB 4.05Å; F277-H414 HydrophobicContact CG-CB 4.05Å; F277-H414 AromaticContact CG-CD2 3.31Å; F277-H414 WeakPolarHBondContact CG-CD2 3.21Å; F277-H414 AromaticContact CG-CG 3.69Å; F277-H414 AromaticContact CG-NE2 3.94Å; H414-L433 PolarHBondContact O-N 3.09Å; H414-L433 VanDerWaalsContact O-N 3.14Å; H414-V435 WeakPolarHBondContact CB-O 3.47Å; H414-V435 PolarHBondContact ND1-O 3.47Å; H414-E436 PolarHBondContact CE1-O 3.39Å; H414-E436 PolarHBondContact ND1-O 3.4Å; H414-E436 VanDerWaalsContact ND1-O 3.11Å
415	T	98.5	Very high	92.1	Very high	12 Å²	12	33.9 Å²	33.9	7%	0.074	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.1	-179.3	-56.3	0	0	0	0	109.3	P412 L413 L417 S430 I431	P412-T415 HydrophobicContact CG-CG2 4.21Å; L413-T415 PolarHBondContact O-N 3.43Å; L413-T415 VanDerWaalsContact O-N 3.07Å; L413-T415 PolarHBondContact O-OG1 3.46Å; T415-L417 HydrophobicContact CG2-CD2 4.36Å; T415-S430 WeakPolarHBondContact CG2-OG 3.37Å; T415-I431 CarbonylContact C-O 3.51Å; T415-I431 WeakPolarHBondContact CA-O 3.43Å
416	V	98.5	Very high	92	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.5	173.7	-177.3	0	0	0	0	108.7	Y249 C251 L281 F284 I431 L433	Y249-V416 HydrophobicContact CD1-CG1 3.76Å; Y249-V416 HydrophobicContact CG-CG1 4.44Å; C251-V416 HydrophobicContact CB-CG2 4.24Å; L281-V416 HydrophobicContact CD1-CG2 3.56Å; F284-V416 HydrophobicContact CD1-CG2 4.35Å; F284-V416 HydrophobicContact CE1-CB 4.39Å; F284-V416 HydrophobicContact CE1-CG1 3.96Å; F284-V416 HydrophobicContact CE1-CG2 4.31Å; F284-V416 HydrophobicContact CZ-CG1 4.36Å; V416-I431 HydrophobicContact CB-CB 4.48Å; V416-I431 PolarHBondContact N-O 3.16Å; V416-I431 PolarHBondContact O-N 2.89Å; V416-L433 HydrophobicContact CG2-CD1 4.09Å; V416-L433 HydrophobicContact CG2-CD2 4.42Å; V416-L433 HydrophobicContact CG2-CG 4.29Å
417	L	98.3	Very high	91.8	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.047	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111.8	168.4	-59.8	-170.6	0	0	0	108.9	Y249 L250 M391 L395 T415 V428 E429	Y249-L417 WeakPolarHBondContact CA-O 3.39Å; L250-L417 HydrophobicContact CB-CB 4.45Å; L250-L417 PolarHBondContact N-O 3.45Å; L250-L417 PolarHBondContact O-N 2.89Å; M391-L417 HydrophobicContact CE-CB 4.05Å; M391-L417 HydrophobicContact CE-CD1 3.42Å; M391-L417 VanDerWaalsContact CE-CD1 3.42Å; M391-L417 HydrophobicContact CE-CG 3.49Å; M391-L417 VanDerWaalsContact CE-CG 3.49Å; L395-L417 HydrophobicContact CD1-CD1 4.12Å; L395-L417 HydrophobicContact CD2-CD1 3.9Å; T415-L417 HydrophobicContact CG2-CD2 4.36Å; L417-V428 HydrophobicContact CB-CG1 4.42Å; L417-V428 HydrophobicContact CD2-CG1 4.48Å; L417-E429 WeakPolarHBondContact CA-O 3.33Å
418	K	97.8	Very high	91.8	Very high	42 Å²	42	39.4 Å²	39.4	18%	0.183	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	117	173.3	179.6	-179.2	-178.6	171	0	109	T247 Y249 V428 E429 I431	T247-K418 HydrophobicContact CG2-CD 4.14Å; T247-K418 HydrophobicContact CG2-CG 3.51Å; Y249-K418 HydrophobicContact CD1-CB 4.1Å; Y249-K418 HydrophobicContact CD1-CG 4.22Å; Y249-K418 HydrophobicContact CE1-CB 4.03Å; Y249-K418 HydrophobicContact CE1-CD 3.96Å; Y249-K418 HydrophobicContact CE1-CG 3.78Å; K418-V428 WeakPolarHBondContact O-CA 3.19Å; K418-E429 HydrophobicContact CB-CB 4.25Å; K418-E429 PolarHBondContact N-O 3.37Å; K418-E429 PolarHBondContact O-N 3.24Å; K418-I431 HydrophobicContact CB-CD1 4.2Å
419	L	96.5	Very high	91.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.1	179.4	-56.7	-174.4	0	0	0	109.5	I248 L250 L395 F398 K427 V428	I248-L419 HydrophobicContact CB-CB 4.13Å; I248-L419 HydrophobicContact CG2-CD1 4.4Å; I248-L419 PolarHBondContact N-O 3.21Å; I248-L419 WeakPolarHBondContact O-CA 3.45Å; I248-L419 VanDerWaalsContact O-CB 3.29Å; I248-L419 WeakPolarHBondContact O-CB 3.5Å; I248-L419 PolarHBondContact O-N 2.95Å; L250-L419 HydrophobicContact CD1-CD1 3.59Å; L250-L419 HydrophobicContact CD1-CG 4.49Å; L250-L419 HydrophobicContact CG-CD1 3.89Å; L250-L419 HydrophobicContact CG-CG 4.48Å; L395-L419 HydrophobicContact CD1-CD2 4.04Å; F398-L419 HydrophobicContact CB-CD1 4.05Å; F398-L419 HydrophobicContact CD2-CD1 3.58Å; F398-L419 HydrophobicContact CE2-CD1 4.23Å; F398-L419 HydrophobicContact CG-CD1 3.85Å; L419-K427 WeakPolarHBondContact CA-O 3.28Å; L419-V428 HydrophobicContact CD2-CB 4.14Å; L419-V428 HydrophobicContact CD2-CG1 3.9Å; L419-V428 HydrophobicContact CD2-CG2 3.45Å; L419-V428 VanDerWaalsContact CD2-CG2 3.45Å
420	T	92.8	Very high	91.9	Very high	40 Å²	40	43.9 Å²	43.9	25%	0.245	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	102.7	173.8	-49.9	0	0	0	0	108.6	V422 K427	T420-V422 PolarHBondContact O-N 3.33Å; T420-K427 PolarHBondContact N-O 2.98Å; T420-K427 PolarHBondContact O-N 3.44Å
421	P	86	Confident	92	Very high	34 Å²	34	39.4 Å²	39.4	22%	0.221	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	132.5	175.8	-24.5	35.1	0	0	0	111	R246	R246-P421 HydrophobicContact CG-CG 4.43Å; R246-P421 WeakPolarHBondContact O-CD 3.42Å
422	V	81.5	Confident	92	Very high	80 Å²	80	42.3 Å²	42.3	49%	0.485	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	166.6	175.5	-66	0	0	0	0	109.3	T420 Y424 G425	T420-V422 PolarHBondContact O-N 3.33Å; V422-Y424 PolarHBondContact O-N 3.27Å; V422-G425 PolarHBondContact N-O 3.36Å; V422-G425 PolarHBondContact O-N 2.99Å; V422-G425 VanDerWaalsContact O-N 3.08Å
423	A	68.1	Low	92	Very high	26 Å²	26	40.7 Å²	40.7	22%	0.215	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-30.1	-169.4	0	0	0	0	0	116.2	Y49 V167	Y49-A423 VanDerWaalsContact CD2-O 3.31Å; Y49-A423 WeakPolarHBondContact CD2-O 3.45Å; V167-A423 HydrophobicContact CG2-CB 3.38Å
424	Y	71.6	Confident	91.8	Very high	102 Å²	102	47.4 Å²	47.4	40%	0.4	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	16	-179.3	-58.2	-49.7	0	0	0	114.6	T48 K52 V167 V422	T48-Y424 HydrophobicContact CG2-CE1 3.68Å; K52-Y424 HydrophobicContact CD-CD1 3.68Å; K52-Y424 HydrophobicContact CD-CE1 4.33Å; K52-Y424 HydrophobicContact CD-CG 4.32Å; V167-Y424 HydrophobicContact CG1-CE1 4.09Å; V167-Y424 HydrophobicContact CG1-CE2 3.55Å; V167-Y424 WeakPolarHBondContact CG1-OH 3.18Å; V422-Y424 PolarHBondContact O-N 3.27Å
425	G	82.3	Confident	91.8	Very high	22 Å²	22	48.5 Å²	48.5	23%	0.227	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-149.5	-176	0	0	0	0	0	112.8	V422	V422-G425 PolarHBondContact N-O 3.36Å; V422-G425 PolarHBondContact O-N 2.99Å; V422-G425 VanDerWaalsContact O-N 3.08Å
426	C	89.3	Confident	91.7	Very high	20 Å²	20	55 Å²	55	14%	0.135	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	128	178.1	-167.4	0	0	0	0	109.3	F398	F398-C426 HydrophobicContact CB-CB 4.29Å; F398-C426 WeakPolarHBondContact O-CB 3.36Å
427	K	92.6	Very high	91.6	Very high	110 Å²	110	56.8 Å²	56.8	48%	0.478	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.6	167	-171.3	-171.6	177.3	-154	0	108.1	L419 T420 E429	L419-K427 WeakPolarHBondContact CA-O 3.28Å; T420-K427 PolarHBondContact N-O 2.98Å; T420-K427 PolarHBondContact O-N 3.44Å; K427-E429 HydrophobicContact CD-CG 4.43Å; K427-E429 WeakPolarHBondContact CE-OE1 3.47Å; K427-E429 IonicContact NZ-OE1 3.52Å; K427-E429 PolarHBondContact NZ-OE1 3.12Å; K427-E429 IonicContact NZ-OE2 3.46Å; K427-E429 PolarHBondContact NZ-OE2 3.18Å
428	V	95.6	Very high	91.6	Very high	54 Å²	54	58.5 Å²	58.5	33%	0.327	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.4	177.5	-175.2	0	0	0	0	109.4	L399 L417 K418 L419	L399-V428 HydrophobicContact CD1-CG2 4.34Å; L399-V428 HydrophobicContact CD2-CG2 3.37Å; L399-V428 HydrophobicContact CG-CG2 4.15Å; L417-V428 HydrophobicContact CB-CG1 4.42Å; L417-V428 HydrophobicContact CD2-CG1 4.48Å; K418-V428 WeakPolarHBondContact O-CA 3.19Å; L419-V428 HydrophobicContact CD2-CB 4.14Å; L419-V428 HydrophobicContact CD2-CG1 3.9Å; L419-V428 HydrophobicContact CD2-CG2 3.45Å; L419-V428 VanDerWaalsContact CD2-CG2 3.45Å
429	E	97.3	Very high	91.5	Very high	69 Å²	69	62.8 Å²	62.8	32%	0.322	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.8	175.2	-60.4	175.7	-120.3	0	0	108.2	L417 K418 K427	L417-E429 WeakPolarHBondContact CA-O 3.33Å; K418-E429 HydrophobicContact CB-CB 4.25Å; K418-E429 PolarHBondContact N-O 3.37Å; K418-E429 PolarHBondContact O-N 3.24Å; K427-E429 HydrophobicContact CD-CG 4.43Å; K427-E429 WeakPolarHBondContact CE-OE1 3.47Å; K427-E429 IonicContact NZ-OE1 3.52Å; K427-E429 PolarHBondContact NZ-OE1 3.12Å; K427-E429 IonicContact NZ-OE2 3.46Å; K427-E429 PolarHBondContact NZ-OE2 3.18Å
430	S	97.3	Very high	91.3	Very high	83 Å²	83	64.4 Å²	64.4	58%	0.58	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.9	-178.9	-179.3	0	0	0	0	109.6	T415	T415-S430 WeakPolarHBondContact CG2-OG 3.37Å
431	I	98	Very high	91.3	Very high	49 Å²	49	64.1 Å²	64.1	25%	0.251	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	104.4	-173.2	-54.1	165.5	0	0	0	108	F284 T415 V416 K418 L433	F284-I431 HydrophobicContact CD2-CG2 4.36Å; F284-I431 HydrophobicContact CE2-CD1 3.8Å; F284-I431 HydrophobicContact CE2-CG2 3.94Å; F284-I431 HydrophobicContact CZ-CD1 3.73Å; T415-I431 CarbonylContact C-O 3.51Å; T415-I431 WeakPolarHBondContact CA-O 3.43Å; V416-I431 HydrophobicContact CB-CB 4.48Å; V416-I431 PolarHBondContact N-O 3.16Å; V416-I431 PolarHBondContact O-N 2.89Å; K418-I431 HydrophobicContact CB-CD1 4.2Å; I431-L433 HydrophobicContact CG2-CD2 4.09Å
432	S	96.9	Very high	91.6	Very high	67 Å²	67	66.4 Å²	66.4	47%	0.469	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.2	174	179.6	0	0	0	0	109.7	N434	S432-N434 VanDerWaalsContact C-N 3.26Å; S432-N434 PolarHBondContact O-N 3.41Å
433	L	96.4	Very high	92	Very high	22 Å²	22	68 Å²	68	12%	0.115	37%	0.369	C	S	.	.			trans	-90.9	18.2	-179.4	-55.7	-167.7	0	0	0	113.4	F277 A280 L281 F284 H414 V416 I431 V435	F277-L433 HydrophobicContact CD2-CB 4.22Å; F277-L433 HydrophobicContact CD2-CD1 3.98Å; F277-L433 HydrophobicContact CD2-CG 4.42Å; F277-L433 HydrophobicContact CE2-CB 4.31Å; F277-L433 HydrophobicContact CE2-CD1 3.53Å; F277-L433 HydrophobicContact CE2-CG 4.03Å; F277-L433 HydrophobicContact CZ-CD1 4.43Å; A280-L433 HydrophobicContact CB-CB 4.07Å; A280-L433 HydrophobicContact CB-CD1 4.31Å; L281-L433 VanDerWaalsContact CA-CD1 3.49Å; L281-L433 HydrophobicContact CB-CD1 3.91Å; L281-L433 HydrophobicContact CD1-CD1 3.96Å; F284-L433 HydrophobicContact CB-CD1 4.28Å; F284-L433 HydrophobicContact CB-CD2 4.05Å; F284-L433 HydrophobicContact CD2-CD2 4.07Å; F284-L433 HydrophobicContact CG-CD2 4.04Å; H414-L433 PolarHBondContact O-N 3.09Å; H414-L433 VanDerWaalsContact O-N 3.14Å; V416-L433 HydrophobicContact CG2-CD1 4.09Å; V416-L433 HydrophobicContact CG2-CD2 4.42Å; V416-L433 HydrophobicContact CG2-CG 4.29Å; I431-L433 HydrophobicContact CG2-CD2 4.09Å; L433-V435 VanDerWaalsContact C-N 3.27Å; L433-V435 PolarHBondContact O-N 3.34Å
434	N	94.9	Very high	92.9	Very high	153 Å²	153	71 Å²	71	82%	0.818	38%	0.375	S	S	*	.	S	Bend	trans	55.7	35.2	173.9	-59.5	-33.1	0	0	0	114.6	S432	S432-N434 VanDerWaalsContact C-N 3.26Å; S432-N434 PolarHBondContact O-N 3.41Å
435	V	97.2	Very high	93.4	Very high	24 Å²	24	68.2 Å²	68.2	15%	0.145	37%	0.369	C	S	.	.			trans	-116.5	123.4	170.4	-177.2	0	0	0	0	108.2	R273 Q276 F277 A280 H414 L433	R273-V435 HydrophobicContact CB-CG1 4.24Å; R273-V435 WeakPolarHBondContact O-CG1 3.41Å; Q276-V435 HydrophobicContact CB-CG1 3.89Å; Q276-V435 HydrophobicContact CB-CG2 4.34Å; F277-V435 HydrophobicContact CB-CB 4.35Å; F277-V435 HydrophobicContact CB-CG1 4.35Å; A280-V435 HydrophobicContact CB-CG2 4.26Å; H414-V435 WeakPolarHBondContact CB-O 3.47Å; H414-V435 PolarHBondContact ND1-O 3.47Å; L433-V435 VanDerWaalsContact C-N 3.27Å; L433-V435 PolarHBondContact O-N 3.34Å
436	E	97	Very high	92.9	Very high	149 Å²	149	76.5 Å²	76.5	70%	0.696	40%	0.402	S	S	*	.			trans	-59.9	149.3	179.5	-65.2	-175.9	173.9	0	0	112.4	R273 H414	R273-E436 WeakPolarHBondContact CD-O 3.36Å; R273-E436 IonicContact NH1-OE2 3.6Å; H414-E436 PolarHBondContact CE1-O 3.39Å; H414-E436 PolarHBondContact ND1-O 3.4Å; H414-E436 VanDerWaalsContact ND1-O 3.11Å
437	A	97	Very high	91.3	Very high	37 Å²	37	84.4 Å²	84.4	31%	0.306	44%	0.437	S	S	.	.			trans	-151.1	157	173.4	0	0	0	0	0	110.4	E255 L413	E255-A437 WeakPolarHBondContact OE1-CA 3.34Å; L413-A437 HydrophobicContact CB-CB 3.54Å; L413-A437 HydrophobicContact CD1-CB 3.93Å; L413-A437 HydrophobicContact CG-CB 4.38Å
438	V	96.5	Very high	89.4	Confident	45 Å²	45	81.3 Å²	81.3	27%	0.273	43%	0.427	S	S	.	.			trans	-61.1	151	166.5	-64.4	0	0	0	0	111.7	E255 N259 L260 L413 T440	E255-V438 HydrophobicContact CG-CG2 4.34Å; E255-V438 PolarHBondContact OE1-N 3.18Å; N259-V438 HydrophobicContact CB-CG2 3.87Å; L260-V438 HydrophobicContact CD2-CG1 4.04Å; L413-V438 HydrophobicContact CD1-CG2 4.16Å; V438-T440 HydrophobicContact CG2-CG2 4.14Å
439	N	95.7	Very high	86.9	Confident	133 Å²	133	88 Å²	88	71%	0.711	45%	0.452	S	S	*	.			trans	-90.8	115.9	172.5	-175.1	10.3	0	0	0	110.4	H441	N439-H441 WeakPolarHBondContact OD1-CB 3.45Å; N439-H441 PolarHBondContact OD1-N 3.4Å
440	T	93.4	Very high	84.5	Confident	33 Å²	33	92.2 Å²	92.2	20%	0.202	47%	0.465	C	S	.	.			trans	-101.6	6.1	177.3	60.3	0	0	0	0	112.9	R252 N259 Q388 L413 V438	R252-T440 PolarHBondContact NH1-OG1 2.9Å; R252-T440 PolarHBondContact NH2-OG1 2.98Å; N259-T440 HydrophobicContact CB-CG2 4.49Å; Q388-T440 PolarHBondContact NE2-O 3.39Å; Q388-T440 PolarHBondContact OE1-O 3.26Å; Q388-T440 PolarHBondContact OE1-OG1 2.94Å; L413-T440 HydrophobicContact CD1-CG2 4.42Å; V438-T440 HydrophobicContact CG2-CG2 4.14Å
441	H	93.4	Very high	81.5	Confident	35 Å²	35	90 Å²	90	16%	0.162	46%	0.455	C	S	.	.			trans	-76.6	136.2	176.6	-170.4	75.9	0	0	0	110.8	R392 Y408 N439 D443	R392-H441 PolarHBondContact NH2-CE1 3.04Å; R392-H441 PolarHBondContact NH2-ND1 2.88Å; R392-H441 VanDerWaalsContact NH2-ND1 3.15Å; Y408-H441 PolarHBondContact O-CE1 3.3Å; N439-H441 WeakPolarHBondContact OD1-CB 3.45Å; N439-H441 PolarHBondContact OD1-N 3.4Å; H441-D443 IonicContact CD2-OD1 2.61Å; H441-D443 PolarHBondContact CD2-OD1 3.1Å; H441-D443 IonicContact NE2-OD1 3.21Å; H441-D443 PolarHBondContact NE2-OD1 3.38Å
442	R	91.2	Very high	78.4	Confident	82 Å²	82	94.7 Å²	94.7	31%	0.309	49%	0.489	S	S	.	.			trans	-124.6	119.9	171.2	-123.6	-173.1	176.6	-163	9.8	108.2	F344	F344-R442 VanDerWaalsContact CE2-NH1 3.26Å
443	D	90.1	Very high	75.4	Confident	113 Å²	113	94.8 Å²	94.8	60%	0.604	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-66.6	164.7	176.7	-66.9	-59.1	0	0	0	111	H441	H441-D443 IonicContact CD2-OD1 2.61Å; H441-D443 PolarHBondContact CD2-OD1 3.1Å; H441-D443 IonicContact NE2-OD1 3.21Å; H441-D443 PolarHBondContact NE2-OD1 3.38Å
444	R	86.5	Confident	72.3	Confident	88 Å²	88	97.9 Å²	97.9	33%	0.332	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-68.3	130.2	173.5	-171.3	-180	-167.3	153.5	14.6	108.8	D404 Y408 E446	D404-R444 IonicContact OD1-CZ 3.68Å; D404-R444 IonicContact OD1-NH1 2.93Å; D404-R444 PolarHBondContact OD1-NH1 2.84Å; D404-R444 IonicContact OD1-NH2 3.46Å; D404-R444 PolarHBondContact OD1-NH2 3.46Å; D404-R444 IonicContact OD2-CZ 3.66Å; D404-R444 IonicContact OD2-NH1 3.57Å; D404-R444 PolarHBondContact OD2-NH1 2.75Å; D404-R444 IonicContact OD2-NH2 3.49Å; Y408-R444 HydrophobicContact CD1-CB 3.95Å; Y408-R444 HydrophobicContact CE1-CB 3.71Å; Y408-R444 HydrophobicContact CE1-CG 4.04Å; R444-E446 PolarHBondContact O-N 3.26Å
445	P	83.1	Confident	69.3	Low	45 Å²	45	96.7 Å²	96.7	29%	0.292	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-60.2	135.1	175.8	-22.7	33.5	0	0	0	111.6	D348 E447 V448	D348-P445 HydrophobicContact CB-CG 4.01Å; P445-E447 VanDerWaalsContact C-N 3.26Å; P445-E447 PolarHBondContact O-N 3.46Å; P445-V448 HydrophobicContact CB-CG2 4.31Å
446	E	70.5	Confident	66.5	Low	195 Å²	195	99.5 Å²	99.5	91%	0.911	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.8	-177	-64	-170.6	163	0	0	113.3	R444 V448	R444-E446 PolarHBondContact O-N 3.26Å; E446-V448 VanDerWaalsContact C-N 3.32Å; E446-V448 PolarHBondContact O-N 2.79Å
447	E	55.8	Low	63.5	Low	187 Å²	187	100 Å²	100	87%	0.874	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-6.8	-173.4	-67	-172.5	161.3	0	0	114.7	P445 K449	P445-E447 VanDerWaalsContact C-N 3.26Å; P445-E447 PolarHBondContact O-N 3.46Å; E447-K449 PolarHBondContact O-N 2.74Å
448	V	53.7	Low	60.9	Low	45 Å²	45	108.3 Å²	108.3	27%	0.273	55%	0.546	S	S	.	.			trans	-79.4	62.9	176.5	-165.6	0	0	0	0	109.7	P445 E446 R450	P445-V448 HydrophobicContact CB-CG2 4.31Å; E446-V448 VanDerWaalsContact C-N 3.32Å; E446-V448 PolarHBondContact O-N 2.79Å; V448-R450 PolarHBondContact O-N 3.16Å
449	K	43.3	Very low	58.2	Low	193 Å²	193	109.2 Å²	109.2	84%	0.839	55%	0.549	S	S	*	.			trans	-64.1	102.9	160.1	-75.5	-176.3	-178.9	175.5	0	106.2	E447 G451	E447-K449 PolarHBondContact O-N 2.74Å; K449-G451 VanDerWaalsContact C-N 3.31Å; K449-G451 PolarHBondContact O-N 3.47Å
450	R	47	Very low	55.6	Low	158 Å²	158	105.2 Å²	105.2	60%	0.596	53%	0.532	S	S	*	.			trans	-52	99.4	167.2	-76.4	-178.3	167	156.1	1.1	107.7	D404 V448	D404-R450 IonicContact OD1-CZ 3.22Å; D404-R450 IonicContact OD1-NH1 3.19Å; D404-R450 IonicContact OD1-NH2 3.34Å; D404-R450 PolarHBondContact OD1-NH2 3.01Å; D404-R450 IonicContact OD2-NH1 3.41Å; V448-R450 PolarHBondContact O-N 3.16Å
451	G	33.4	Very low	53.3	Low	36 Å²	36	106.2 Å²	106.2	37%	0.371	54%	0.537	S	S	.	.			trans	-59.6	152.7	173.3	0	0	0	0	0	109	K449 G453	K449-G451 VanDerWaalsContact C-N 3.31Å; K449-G451 PolarHBondContact O-N 3.47Å; G451-G453 PolarHBondContact O-N 3.5Å
452	P	33.5	Very low	51.3	Low	148 Å²	148	105.8 Å²	105.8	96%	0.961	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	25.2	178.4	26.5	-31.9	0	0	0	114.2
453	G	34.6	Very low	49.7	Very low	70 Å²	70	102 Å²	102	72%	0.722	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.2	-4.6	-174.3	0	0	0	0	0	116.5	G451	G451-G453 PolarHBondContact O-N 3.5Å
454	T	30.1	Very low	48.2	Very low	86 Å²	86	100.2 Å²	100.2	53%	0.528	51%	0.513	S	S	.	.			trans	-100.1	38.8	173.4	29.8	0	0	0	0	112.3	I456	T454-I456 PolarHBondContact O-N 2.77Å
455	L	33.3	Very low	46.8	Very low	129 Å²	129	98.8 Å²	98.8	68%	0.675	52%	0.515	S	S	*	.			trans	-74.2	78.1	157.8	-77.8	161.6	0	0	0	107.3	R457 R458	L455-R457 VanDerWaalsContact C-N 3.34Å; L455-R457 PolarHBondContact O-N 3.08Å; L455-R458 HydrophobicContact CD2-CG 4.47Å
456	I	36.4	Very low	45.3	Very low	83 Å²	83	97.7 Å²	97.7	43%	0.426	51%	0.508	S	S	.	.			trans	-52.7	115.8	148.9	-64.1	175.5	0	0	0	103.6	I10 T454 R458	I10-I456 HydrophobicContact CD1-CD1 3.63Å; T454-I456 PolarHBondContact O-N 2.77Å; I456-R458 PolarHBondContact O-N 3.24Å
457	R	35.6	Very low	44	Very low	158 Å²	158	91.6 Å²	91.6	60%	0.596	49%	0.485	S	S	*	.			trans	-35.1	117.1	-173.6	-141	-177.8	-170.1	-168.7	3.6	107.5	L455 N459	L455-R457 VanDerWaalsContact C-N 3.34Å; L455-R457 PolarHBondContact O-N 3.08Å; R457-N459 PolarHBondContact O-N 3.28Å; R457-N459 PolarHBondContact O-OD1 3.06Å; R457-N459 VanDerWaalsContact O-OD1 3.12Å
458	R	41.3	Very low	43.2	Very low	212 Å²	212	90 Å²	90	80%	0.8	48%	0.478	S	S	*	.			trans	-48.7	98.8	171.2	-73	177.1	179.5	167.5	-1.5	105.7	L455 I456	L455-R458 HydrophobicContact CD2-CG 4.47Å; I456-R458 PolarHBondContact O-N 3.24Å
459	N	40.5	Very low	42.3	Very low	65 Å²	65	92 Å²	92	35%	0.348	49%	0.494	S	S	.	.			trans	-67	146	-178.5	-74.3	-26	0	0	0	105.4	R457 V461 T462	R457-N459 PolarHBondContact O-N 3.28Å; R457-N459 PolarHBondContact O-OD1 3.06Å; R457-N459 VanDerWaalsContact O-OD1 3.12Å; N459-V461 PolarHBondContact O-N 3.23Å; N459-T462 PolarHBondContact O-N 3.18Å; N459-T462 PolarHBondContact O-OG1 2.95Å
460	S	40	Very low	41.6	Very low	49 Å²	49	90.5 Å²	90.5	34%	0.343	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	10	-174.2	59.7	0	0	0	0	113.8	P64 Q119	P64-S460 WeakPolarHBondContact CD-O 3.43Å; P64-S460 WeakPolarHBondContact CG-O 3.48Å; Q119-S460 PolarHBondContact NE2-O 2.75Å
461	V	45.3	Very low	41.1	Very low	53 Å²	53	85.9 Å²	85.9	32%	0.321	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	17.1	-172.9	-157	0	0	0	0	113.2	G62 N459 P463	G62-V461 WeakPolarHBondContact CA-O 3.15Å; G62-V461 WeakPolarHBondContact O-CA 3.48Å; G62-V461 VanDerWaalsContact O-CG1 3.23Å; G62-V461 WeakPolarHBondContact O-CG1 3.49Å; N459-V461 PolarHBondContact O-N 3.23Å; V461-P463 WeakPolarHBondContact O-CD 3.38Å
462	T	53	Low	41.1	Very low	27 Å²	27	93.3 Å²	93.3	17%	0.166	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-82.3	124.7	178.8	-42.2	0	0	0	0	110.8	Y353 A403 N459 L464	Y353-T462 HydrophobicContact CE2-CG2 4.13Å; Y353-T462 WeakPolarHBondContact OH-CA 3.5Å; Y353-T462 WeakPolarHBondContact OH-CB 3.38Å; Y353-T462 VanDerWaalsContact OH-CG2 3.28Å; Y353-T462 WeakPolarHBondContact OH-CG2 3.33Å; Y353-T462 PolarHBondContact OH-OG1 2.9Å; A403-T462 HydrophobicContact CB-CG2 3.65Å; N459-T462 PolarHBondContact O-N 3.18Å; N459-T462 PolarHBondContact O-OG1 2.95Å; T462-L464 PolarHBondContact O-N 3.28Å
463	P	56.4	Low	41.3	Very low	2 Å²	2	95 Å²	95	1%	0.013	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-59.7	125.3	169.9	-27.8	34.5	0	0	0	113.9	N59 W60 Y352 A403 V461	N59-P463 WeakPolarHBondContact O-CA 3.08Å; N59-P463 WeakPolarHBondContact O-CB 3.31Å; N59-P463 WeakPolarHBondContact O-CG 3.48Å; W60-P463 VanDerWaalsContact O-CG 3.3Å; W60-P463 WeakPolarHBondContact O-CG 3.41Å; Y352-P463 VanDerWaalsContact OH-CD 3.23Å; Y352-P463 WeakPolarHBondContact OH-CD 3.34Å; Y352-P463 VanDerWaalsContact OH-CG 3.24Å; Y352-P463 WeakPolarHBondContact OH-CG 3.44Å; A403-P463 HydrophobicContact CB-CB 4.06Å; A403-P463 HydrophobicContact CB-CG 4.25Å; A403-P463 WeakPolarHBondContact CB-O 3.22Å; A403-P463 PolarHBondContact N-O 3.16Å; V461-P463 WeakPolarHBondContact O-CD 3.38Å
464	L	58.5	Low	41.4	Very low	75 Å²	75	92.7 Å²	92.7	39%	0.393	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-103.2	146	176.5	-59.2	175.8	0	0	0	109.5	N59 P64 T462	N59-L464 VanDerWaalsContact CB-O 3.26Å; N59-L464 WeakPolarHBondContact CB-O 3.49Å; P64-L464 HydrophobicContact CB-CD1 4.1Å; T462-L464 PolarHBondContact O-N 3.28Å
465	T	57.6	Low	41.9	Very low	59 Å²	59	98.3 Å²	98.3	36%	0.362	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-60.1	140.1	157.8	42.8	0	0	0	0	107.9	D400 S402 E405	D400-T465 WeakPolarHBondContact O-CG2 3.43Å; S402-T465 VanDerWaalsContact N-CG2 3.33Å; E405-T465 WeakPolarHBondContact OE2-CG2 3.45Å
466	S	51	Low	42.3	Very low	21 Å²	21	95.3 Å²	95.3	15%	0.147	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-58.4	135.2	164	-48.3	0	0	0	0	106.4	D400 E468	D400-S466 VanDerWaalsContact CG-OG 3.3Å; D400-S466 PolarHBondContact OD1-N 3.02Å; D400-S466 PolarHBondContact OD1-OG 2.89Å; D400-S466 WeakPolarHBondContact OD2-CA 3.34Å; D400-S466 WeakPolarHBondContact OD2-CB 3.39Å; D400-S466 PolarHBondContact OD2-N 3.38Å; D400-S466 PolarHBondContact OD2-OG 3.07Å; S466-E468 PolarHBondContact O-N 3.11Å; S466-E468 VanDerWaalsContact O-N 3.08Å
467	P	44.4	Very low	42.5	Very low	68 Å²	68	96.5 Å²	96.5	44%	0.442	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-54.4	126	-179.7	-20	28.1	0	0	0	108.9	K66	K66-P467 HydrophobicContact CD-CG 4.17Å; K66-P467 HydrophobicContact CG-CG 3.99Å
468	E	38.4	Very low	42.5	Very low	152 Å²	152	96.3 Å²	96.3	71%	0.71	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-54.7	147.1	161.1	-70.2	-175.1	167.1	0	0	107.2	S466 H470	S466-E468 PolarHBondContact O-N 3.11Å; S466-E468 VanDerWaalsContact O-N 3.08Å; E468-H470 CarbonylContact O-C 3.55Å; E468-H470 PolarHBondContact O-N 3.14Å
469	S	35.3	Very low	42.2	Very low	89 Å²	89	92.1 Å²	92.1	62%	0.622	47%	0.469	S	S	*	.	S	Bend	trans	-59.4	8.4	180	47.8	0	0	0	0	114.7	I471	S469-I471 PolarHBondContact O-N 3.24Å
470	H	29	Very low	41.7	Very low	160 Å²	160	96.5 Å²	96.5	74%	0.741	49%	0.493	S	S	*	.			trans	-85.3	64.1	165.7	-59.9	-59.5	0	0	0	110	E468	E468-H470 CarbonylContact O-C 3.55Å; E468-H470 PolarHBondContact O-N 3.14Å
471	I	35.3	Very low	41.5	Very low	61 Å²	61	103.6 Å²	103.6	31%	0.313	52%	0.52	S	S	.	.			trans	-64.6	137.8	165.6	-59.9	169.2	0	0	0	107.1	S469 K473	S469-I471 PolarHBondContact O-N 3.24Å; I471-K473 PolarHBondContact O-N 3.24Å
472	K	34.3	Very low	40.5	Very low	193 Å²	193	104.7 Å²	104.7	84%	0.839	54%	0.535	S	S	*	.	S	Bend	trans	-41.5	125.2	155.4	-77.9	176.7	174.9	176.1	0	107.3	P474	K472-P474 VanDerWaalsContact O-N 3.08Å
473	K	36.4	Very low	39.3	Very low	182 Å²	182	109.6 Å²	109.6	79%	0.791	57%	0.567	S	S	*	*			trans	-34.3	118.2	-179.7	-69.4	-179.9	177.6	-179.9	0	110.3	I471 R475	I471-K473 PolarHBondContact O-N 3.24Å; K473-R475 PolarHBondContact O-N 2.91Å
474	P	38.3	Very low	38.1	Very low	22 Å²	22	117.5 Å²	117.5	14%	0.143	61%	0.607	C	S	.	*			trans	-53.1	132.8	177	18.4	-30.1	0	0	0	109	Y73 E76 K472 I476	Y73-P474 HydrophobicContact CE1-CB 4.17Å; E76-P474 VanDerWaalsContact CD-CD 3.45Å; E76-P474 HydrophobicContact CG-CG 4.4Å; E76-P474 VanDerWaalsContact OE1-CD 3.27Å; E76-P474 WeakPolarHBondContact OE1-CD 3.42Å; E76-P474 WeakPolarHBondContact OE1-CG 3.47Å; E76-P474 WeakPolarHBondContact OE2-CD 3.46Å; E76-P474 WeakPolarHBondContact OE2-CG 3.45Å; K472-P474 VanDerWaalsContact O-N 3.08Å; P474-I476 VanDerWaalsContact C-N 3.27Å; P474-I476 PolarHBondContact O-N 2.82Å
475	R	39.3	Very low	36.6	Very low	205 Å²	205	122.6 Å²	122.6	77%	0.774	63%	0.629	S	S	*	*			trans	-73.6	87.9	176.6	-72.5	-178	179.7	165.8	-4.4	108.1	K473 D477	K473-R475 PolarHBondContact O-N 2.91Å; R475-D477 PolarHBondContact O-N 3.49Å
476	I	42.8	Very low	35.2	Very low	66 Å²	66	128.5 Å²	128.5	34%	0.338	65%	0.653	S	S	.	*			trans	-83	65.4	159.9	-49.6	176.6	0	0	0	106.1	P474 L479	P474-I476 VanDerWaalsContact C-N 3.27Å; P474-I476 PolarHBondContact O-N 2.82Å; I476-L479 HydrophobicContact CG2-CD1 4.03Å; I476-L479 HydrophobicContact CG2-CG 3.92Å
477	D	39.6	Very low	34.2	Very low	107 Å²	107	135.4 Å²	135.4	57%	0.572	69%	0.687	S	S	*	*			trans	-83.2	133.2	165.5	-67.6	-39.5	0	0	0	107.3	R475	R475-D477 PolarHBondContact O-N 3.49Å
478	D	35.2	Very low	33.4	Very low	154 Å²	154	138 Å²	138	82%	0.824	70%	0.704	S	S	*	*			trans	75.6	63.5	-176.3	-51.5	-29.1	0	0	0	116.5
479	L	35.7	Very low	32.9	Very low	124 Å²	124	134.3 Å²	134.3	65%	0.649	71%	0.707	S	S	*	*			trans	-85.6	101.5	139.6	-72.1	170.1	0	0	0	106.1	I476 E481	I476-L479 HydrophobicContact CG2-CD1 4.03Å; I476-L479 HydrophobicContact CG2-CG 3.92Å; L479-E481 PolarHBondContact O-N 3.12Å
480	D	30.6	Very low	32.6	Very low	158 Å²	158	135.3 Å²	135.3	85%	0.845	71%	0.714	S	S	*	*			trans	-47.2	129.6	169.9	-91.6	-34.5	0	0	0	109.9	A482	D480-A482 PolarHBondContact O-N 3.19Å
481	E	34.3	Very low	32.5	Very low	198 Å²	198	134 Å²	134	93%	0.925	72%	0.717	S	S	*	*			trans	-57.3	102.7	174.9	-74.3	-177.8	142.2	0	0	110.4	L479	L479-E481 PolarHBondContact O-N 3.12Å
482	A	25.4	Very low	32	Very low	76 Å²	76	135 Å²	135	63%	0.628	73%	0.734	S	S	*	*			trans	-131.2	116.6	148.7	0	0	0	0	0	107	D480 I484	D480-A482 PolarHBondContact O-N 3.19Å; A482-I484 PolarHBondContact O-N 2.88Å
483	P	27.3	Very low	31.7	Very low	129 Å²	129	131.1 Å²	131.1	84%	0.838	73%	0.731	S	S	*	*			trans	-64.5	113.6	-179.6	25	-29.8	0	0	0	108.4	Q485	P483-Q485 PolarHBondContact O-N 2.96Å
484	I	31.3	Very low	31.1	Very low	168 Å²	168	131.1 Å²	131.1	86%	0.862	74%	0.739	S	S	*	*			trans	-66.8	103.5	169.1	-60.2	174.1	0	0	0	105.8	A482 E486	A482-I484 PolarHBondContact O-N 2.88Å; I484-E486 PolarHBondContact O-N 3.19Å
485	Q	28	Very low	30.5	Very low	182 Å²	182	134.3 Å²	134.3	85%	0.85	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-51.5	123	174.3	-105.4	166.6	-24.4	0	0	109.8	P483 L487	P483-Q485 PolarHBondContact O-N 2.96Å; Q485-L487 PolarHBondContact O-N 3.22Å
486	E	26.7	Very low	29.8	Very low	183 Å²	183	132.4 Å²	132.4	86%	0.855	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-52.3	124.5	164.5	-67.6	-176	155.6	0	0	108.8	I484	I484-E486 PolarHBondContact O-N 3.19Å
487	L	30.3	Very low	28.9	Very low	166 Å²	166	134.3 Å²	134.3	87%	0.869	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-60	126.6	167.4	-82	153.3	0	0	0	107.9	Q485 G489	Q485-L487 PolarHBondContact O-N 3.22Å; L487-G489 PolarHBondContact O-N 3.41Å
488	P	27.9	Very low	28.3	Very low	123 Å²	123	135.5 Å²	135.5	80%	0.799	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.1	121.8	-174.5	25.3	-30.7	0	0	0	110.3
489	G	28.3	Very low	27.8	Very low	74 Å²	74	132.9 Å²	132.9	76%	0.763	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.8	129.9	162.8	0	0	0	0	0	111	L487	L487-G489 PolarHBondContact O-N 3.41Å
490	S	27.8	Very low	27.3	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	80%	0.799	S	S	*	*			trans	166.3	151.2	144.7	64	0	0	0	0	106.5
491	V	27	Very low	27.1	Very low	134 Å²	134	133.8 Å²	133.8	81%	0.812	80%	0.798	S	S	*	*			cis	-152.6	148.9	35	-163.8	0	0	0	0	110.3
492	A	26.4	Very low	26.7	Very low	80 Å²	80	131.6 Å²	131.6	66%	0.661	79%	0.791	S	S	*	*			trans	-24.9	144.7	167.9	0	0	0	0	0	120.3
493	S	26.8	Very low	27.4	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	79%	0.793	S	S	*	*				29.1	111.9	121.7	-43.5	0	0	0	0	118.2
494	L	25.1	Very low	27.4	Very low	181 Å²	181	134.3 Å²	134.3	95%	0.948	79%	0.793	S	S	*	*			trans	-157.7	100.3	140.3	-102.4	156.7	0	0	0	108.4
495	A	24.4	Very low	27.2	Very low	90 Å²	90	130 Å²	130	74%	0.744	78%	0.783	S	S	*	*			trans	-105.7	126.4	157.3	0	0	0	0	0	106.9
496	L	25.7	Very low	27.1	Very low	164 Å²	164	129.6 Å²	129.6	86%	0.859	79%	0.786	S	S	*	*			trans	158.8	116.2	143.2	-86.9	157.8	0	0	0	109.8
497	C	24	Very low	27.3	Very low	107 Å²	107	126 Å²	126	72%	0.723	79%	0.787	S	S	*	*				149.4	108	125.7	-79.4	0	0	0	0	113.7
498	T	25.1	Very low	27.2	Very low	131 Å²	131	121.3 Å²	121.3	80%	0.804	78%	0.779	S	S	*	*			trans	61	125.5	130.4	58.4	0	0	0	0	122.1
499	S	24.8	Very low	27.3	Very low	100 Å²	100	124.1 Å²	124.1	70%	0.699	78%	0.781	S	S	*	*			trans	-44.6	147.3	159.1	54.4	0	0	0	0	115.5
500	T	26.5	Very low	27.3	Very low	120 Å²	120	126.2 Å²	126.2	74%	0.736	78%	0.775	S	S	*	*				178.1	144.4	119.8	29.1	0	0	0	0	113.7
501	H	26.4	Very low	27.3	Very low	180 Å²	180	128 Å²	128	83%	0.833	78%	0.775	S	S	*	*			trans	79.3	101.4	152.8	-66	-59.8	0	0	0	123.7
502	I	25.5	Very low	27.3	Very low	152 Å²	152	132 Å²	132	78%	0.779	78%	0.776	S	S	*	*			trans	-47.4	167.1	139.2	-69.4	168.4	0	0	0	112.1
503	P	40.4	Very low	27.4	Very low	100 Å²	100	133.2 Å²	133.2	65%	0.649	78%	0.779	S	S	*	*			cis	-143.7	-173.1	16.8	17.5	11.8	0	0	0	119.4
504	L	26.9	Very low	27.4	Very low	162 Å²	162	133.7 Å²	133.7	85%	0.848	78%	0.783	S	S	*	*			trans	100.3	135	149.6	-72.4	126.5	0	0	0	116.3
505	A	27.1	Very low	27.6	Very low	78 Å²	78	130.4 Å²	130.4	65%	0.645	78%	0.775	S	S	*	*			cis	-165.2	148.6	1.1	0	0	0	0	0	111.9
506	L	27	Very low	28	Very low	174 Å²	174	133 Å²	133	91%	0.911	78%	0.781	S	S	*	*			trans	38.8	119.8	135.9	-69.1	155.7	0	0	0	123.7
507	A	30.2	Very low	28.1	Very low	107 Å²	107	130.2 Å²	130.2	88%	0.884	77%	0.774	S	S	*	*				163.6	134.5	119.6	0	0	0	0	0	108.7
508	G	27.7	Very low	28.4	Very low	68 Å²	68	134.1 Å²	134.1	70%	0.701	78%	0.782	S	S	*	*			cis	151.7	117.2	3.2	0	0	0	0	0	108.9
509	Q	30.2	Very low	28.8	Very low	181 Å²	181	134.5 Å²	134.5	85%	0.846	78%	0.779	S	S	*	*			trans	64.8	153.6	151.2	-59.1	-173.5	3.5	0	0	118.8
510	N	27.8	Very low	29.3	Very low	119 Å²	119	137.8 Å²	137.8	64%	0.636	79%	0.787	S	S	*	*			cis	-169.7	128.8	-13.3	-105.2	-28.1	0	0	0	104
511	L	28.2	Very low	29.6	Very low	147 Å²	147	139.5 Å²	139.5	77%	0.77	79%	0.791	S	S	*	*				62.2	124.2	100.7	-94.9	162.1	0	0	0	118.3
512	R	27.8	Very low	29.9	Very low	217 Å²	217	138.5 Å²	138.5	82%	0.819	79%	0.79	S	S	*	*			trans	115.9	106.1	140.6	-73.8	-178.4	-176.5	-159.9	0.8	120.2
513	S	27.2	Very low	31.1	Very low	106 Å²	106	136.6 Å²	136.6	74%	0.741	79%	0.788	S	S	*	*				34.3	128.5	120.2	66.1	0	0	0	0	121
514	S	28.5	Very low	31.1	Very low	124 Å²	124	141.3 Å²	141.3	87%	0.867	82%	0.821	S	S	*	*				-160.2	139.9	128.6	51.7	0	0	0	0	112.1
515	S	29.3	Very low	31.3	Very low	111 Å²	111	140.3 Å²	140.3	78%	0.776	82%	0.82	S	S	*	*			trans	-101.9	137.3	174	49.4	0	0	0	0	109.6
516	V	31.1	Very low	31.5	Very low	144 Å²	144	143.6 Å²	143.6	87%	0.873	83%	0.829	S	S	*	*			trans	-149.6	135.7	153.8	-177.2	0	0	0	0	109.9
517	C	28.4	Very low	31.8	Very low	107 Å²	107	141.9 Å²	141.9	72%	0.723	83%	0.825	S	S	*	*			trans	-77.1	162.3	178.5	-62.7	0	0	0	0	113.2
518	H	30.3	Very low	31.8	Very low	189 Å²	189	143.9 Å²	143.9	88%	0.875	82%	0.821	S	S	*	*				-164.6	121.6	124.3	-110	-63.6	0	0	0	112.3
519	D	33	Very low	32.1	Very low	138 Å²	138	148.7 Å²	148.7	74%	0.738	83%	0.829	S	S	*	*			trans	-61.8	147.9	159.8	-62.8	-59	0	0	0	111.6
520	I	35.4	Very low	32.2	Very low	170 Å²	170	146.5 Å²	146.5	87%	0.872	83%	0.828	S	S	*	*			trans	-147.6	133.7	136.7	-62.2	-167.8	0	0	0	110.4
521	L	33.6	Very low	32.5	Very low	156 Å²	156	148.5 Å²	148.5	82%	0.817	84%	0.841	S	S	*	*			trans	-68.7	158.7	-178.6	-73.5	123.6	0	0	0	116.5
522	L	31.3	Very low	32.9	Very low	158 Å²	158	148.6 Å²	148.6	83%	0.827	85%	0.847	S	S	*	*			trans	-36.4	173.7	146.3	-74.3	162.1	0	0	0	114.4
523	P	52	Low	33.3	Very low	112 Å²	112	142.9 Å²	142.9	73%	0.727	85%	0.849	S	S	*	*			cis	-146.9	169.1	23.4	39.3	-18.1	0	0	0	118
524	C	39.5	Very low	33.9	Very low	200 Å²	200	146.3 Å²	146.3	100%	1.351	86%	0.859	S	S	*	*				-164.6	0	114.6	-89.4	0	0	0	0	109.3

Retrieved 524 of 524 residues in 102.8 ms (Link to these results)

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