A0A087YCD2_POEFO Loading...

Pseudouridylate synthase PUS7L

Pseudouridine synthase that catalyzes pseudouridylation of mRNAs.

AlphaFold DB , UniProt , Accession A0A087YCD2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 682 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.4	Very low	28.5	Very low	226 Å²	226	143.5 Å²	143.5	100%	1.113	74%	0.742	S	S	*	*				0	42.3	0	-73.2	-166.1	-86.5	0	0	111.8
2	T	32.3	Very low	28.7	Very low	123 Å²	123	136.9 Å²	136.9	76%	0.755	74%	0.735	S	S	*	*			trans	-127.2	-12.9	-166.6	33.7	0	0	0	0	114.8
3	E	24.6	Very low	29.6	Very low	171 Å²	171	132.8 Å²	132.8	80%	0.799	71%	0.713	S	S	*	*	H	α-helix	trans	-83.2	-19.5	172.3	-78	-176.4	139	0	0	113.7	L5	E3-L5 PolarHBondContact O-N 3.39Å
4	S	24.4	Very low	30.3	Very low	92 Å²	92	134.9 Å²	134.9	64%	0.643	72%	0.716	S	S	*	*	H	α-helix	trans	-75.8	-21.4	-176	-170.9	0	0	0	0	113.6	V8	S4-V8 VanDerWaalsContact O-CG2 3.29Å; S4-V8 WeakPolarHBondContact O-CG2 3.35Å
5	L	29.1	Very low	31.5	Very low	130 Å²	130	131.1 Å²	131.1	68%	0.681	70%	0.703	S	S	*	*	H	α-helix	trans	-86	-29.9	-179.6	-96.5	136.9	0	0	0	112.8	E3 V8	E3-L5 PolarHBondContact O-N 3.39Å; L5-V8 PolarHBondContact O-N 2.99Å
6	V	29.6	Very low	32.7	Very low	101 Å²	101	125.6 Å²	125.6	61%	0.612	68%	0.675	S	S	*	*	H	α-helix	trans	-70.8	-34.9	176.3	-178.4	0	0	0	0	110.9
7	K	26.4	Very low	34.5	Very low	166 Å²	166	123.1 Å²	123.1	72%	0.722	66%	0.661	S	S	*	*	H	α-helix	trans	-72.5	-23.4	176.6	-90.4	179.4	175.6	172	0	114.6	I9 M10	K7-I9 VanDerWaalsContact C-N 3.31Å; K7-M10 PolarHBondContact O-N 3.21Å
8	V	26.5	Very low	36.5	Very low	107 Å²	107	116.6 Å²	116.6	65%	0.648	63%	0.627	S	S	*	*	H	α-helix	trans	-74.5	-23.9	179.1	172	0	0	0	0	111.7	S4 L5	S4-V8 VanDerWaalsContact O-CG2 3.29Å; S4-V8 WeakPolarHBondContact O-CG2 3.35Å; L5-V8 PolarHBondContact O-N 2.99Å
9	I	35.6	Very low	38.5	Very low	120 Å²	120	111.8 Å²	111.8	62%	0.615	60%	0.603	S	S	*	*	H	α-helix	trans	-79.9	-22.4	177.6	-58.5	175.2	0	0	0	111.7	K7	K7-I9 VanDerWaalsContact C-N 3.31Å
10	M	29.7	Very low	40.2	Very low	146 Å²	146	109.5 Å²	109.5	72%	0.719	60%	0.599	S	S	*	*	S	Bend	trans	-94.7	0.7	-174.8	-60	-136.4	115.2	0	0	115.2	K7	K7-M10 PolarHBondContact O-N 3.21Å
11	K	25.1	Very low	42.2	Very low	197 Å²	197	107.1 Å²	107.1	86%	0.857	58%	0.582	S	S	*	*	S	Bend	trans	-101.3	85.9	175.8	-96.6	-173.3	171.6	-175.6	0	110.3
12	G	30.3	Very low	44.9	Very low	64 Å²	64	98.9 Å²	98.9	66%	0.66	54%	0.54	S	S	*	.	S	Bend	trans	144.7	13.1	168.1	0	0	0	0	0	116.8	E14	G12-E14 PolarHBondContact O-N 3.21Å
13	D	40.6	Very low	47.5	Very low	84 Å²	84	93.6 Å²	93.6	45%	0.449	51%	0.507	S	S	.	.			trans	-104.8	75.5	-165.4	-77.7	-6.2	0	0	0	113	R422	D13-R422 IonicContact OD1-CZ 2.68Å; D13-R422 IonicContact OD1-NH1 2.96Å; D13-R422 PolarHBondContact OD1-NH1 3.34Å; D13-R422 IonicContact OD1-NH2 3.84Å; D13-R422 PolarHBondContact OD1-NH2 2.76Å; D13-R422 IonicContact OD2-CZ 3.39Å; D13-R422 IonicContact OD2-NH1 3.05Å; D13-R422 PolarHBondContact OD2-NH1 3.13Å; D13-R422 IonicContact OD2-NH2 2.87Å
14	E	39	Very low	50.4	Low	161 Å²	161	85.7 Å²	85.7	75%	0.752	47%	0.47	S	S	*	.			trans	-68.8	139.1	162.1	-69.9	-159	167.4	0	0	110.2	G12	G12-E14 PolarHBondContact O-N 3.21Å
15	P	48.3	Very low	53.4	Low	79 Å²	79	91.5 Å²	91.5	51%	0.513	48%	0.484	S	S	.	.			trans	-55.8	150.4	169.8	25.2	-32.8	0	0	0	109.8	N17	P15-N17 VanDerWaalsContact C-N 3.28Å; P15-N17 PolarHBondContact O-N 3.24Å
16	V	51.5	Low	56.2	Low	42 Å²	42	85.8 Å²	85.8	26%	0.255	45%	0.454	S	S	.	.			trans	-62.3	93.8	174.8	-179.9	0	0	0	0	108.4	F412 D421 R515	V16-F412 HydrophobicContact CG1-CD2 4.05Å; V16-F412 HydrophobicContact CG1-CE2 4.28Å; V16-F412 HydrophobicContact CG1-CG 4.2Å; V16-D421 WeakPolarHBondContact CG2-OD2 3.32Å; V16-R515 HydrophobicContact CG1-CG 4.47Å
17	N	63.3	Low	58.8	Low	84 Å²	84	85.5 Å²	85.5	45%	0.449	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-78.7	123.5	175.8	-163.1	-6.3	0	0	0	107.9	P15 E681	P15-N17 VanDerWaalsContact C-N 3.28Å; P15-N17 PolarHBondContact O-N 3.24Å; N17-E681 PolarHBondContact ND2-OE1 3.37Å; N17-E681 PolarHBondContact OD1-OE1 3.46Å
18	V	70.3	Confident	61.6	Low	6 Å²	6	77.6 Å²	77.6	4%	0.036	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-64.5	128.9	174.6	179.9	0	0	0	0	107	A20 Y406 P409 I672 R675	V18-A20 PolarHBondContact O-N 2.96Å; V18-Y406 HydrophobicContact CG1-CD1 4.29Å; V18-Y406 HydrophobicContact CG1-CD2 3.91Å; V18-Y406 HydrophobicContact CG1-CG 3.73Å; V18-P409 HydrophobicContact CG2-CG 4.2Å; V18-I672 HydrophobicContact CG1-CD1 4.13Å; V18-R675 PolarHBondContact O-NH2 3.39Å
19	P	75	Confident	64.6	Low	26 Å²	26	72.5 Å²	72.5	17%	0.169	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-52.6	137.2	-175.7	-28.6	35.1	0	0	0	113.1	Y21 Y406 N518 A522 R675	P19-Y21 PolarHBondContact O-N 3.38Å; P19-Y21 VanDerWaalsContact O-N 3.16Å; P19-Y406 HydrophobicContact CB-CE1 4.34Å; P19-Y406 HydrophobicContact CG-CE1 4.37Å; P19-N518 HydrophobicContact CG-CB 4.29Å; P19-A522 HydrophobicContact CB-CB 3.4Å; P19-A522 HydrophobicContact CG-CB 3.9Å; P19-R675 PolarHBondContact O-NH1 2.63Å; P19-R675 PolarHBondContact O-NH2 3.45Å
20	A	71.9	Confident	67	Low	64 Å²	64	68.9 Å²	68.9	53%	0.529	36%	0.362	S	S	.	.			trans	-82.4	21.1	-172.5	0	0	0	0	0	115.1	V18 F22	V18-A20 PolarHBondContact O-N 2.96Å; A20-F22 HydrophobicContact CB-CE2 4.35Å; A20-F22 WeakPolarHBondContact O-CD2 3.26Å; A20-F22 VanDerWaalsContact O-CE2 3.27Å; A20-F22 WeakPolarHBondContact O-CE2 3.43Å; A20-F22 PolarHBondContact O-N 2.75Å
21	Y	82.9	Confident	69.7	Low	60 Å²	60	62.7 Å²	62.7	24%	0.235	34%	0.336	C	S	.	.			trans	-74.7	124	176.1	-163.9	-77	0	0	0	110.2	P19 I23 V404 Y406 L525 S526 L530	P19-Y21 PolarHBondContact O-N 3.38Å; P19-Y21 VanDerWaalsContact O-N 3.16Å; Y21-I23 HydrophobicContact CE1-CD1 4.49Å; Y21-V404 HydrophobicContact CD1-CG2 4.44Å; Y21-Y406 WeakPolarHBondContact CB-OH 3.42Å; Y21-L525 HydrophobicContact CD1-CB 3.7Å; Y21-L525 HydrophobicContact CD1-CD1 3.62Å; Y21-L525 HydrophobicContact CD1-CG 4.24Å; Y21-L525 HydrophobicContact CD2-CB 4.09Å; Y21-L525 HydrophobicContact CE1-CB 3.51Å; Y21-L525 HydrophobicContact CE1-CD1 3.93Å; Y21-L525 HydrophobicContact CE1-CD2 4.37Å; Y21-L525 HydrophobicContact CE1-CG 4.15Å; Y21-L525 HydrophobicContact CE2-CB 3.88Å; Y21-L525 HydrophobicContact CG-CB 3.99Å; Y21-L525 HydrophobicContact CG-CD1 4.31Å; Y21-L525 PolarHBondContact OH-O 3.35Å; Y21-S526 VanDerWaalsContact CD2-OG 3.29Å; Y21-S526 WeakPolarHBondContact CD2-OG 3.08Å; Y21-L530 HydrophobicContact CE1-CD2 4.37Å
22	F	85.9	Confident	72.6	Confident	54 Å²	54	55.7 Å²	55.7	24%	0.237	31%	0.312	C	S	.	.			trans	-115.5	147.6	179	-63.1	-75.5	0	0	0	111.6	A20 R675 E676 K679	A20-F22 HydrophobicContact CB-CE2 4.35Å; A20-F22 WeakPolarHBondContact O-CD2 3.26Å; A20-F22 VanDerWaalsContact O-CE2 3.27Å; A20-F22 WeakPolarHBondContact O-CE2 3.43Å; A20-F22 PolarHBondContact O-N 2.75Å; F22-R675 HydrophobicContact CE1-CG 4.14Å; F22-R675 WeakPolarHBondContact CE1-O 3.46Å; F22-E676 WeakPolarHBondContact CA-OE2 3.41Å; F22-E676 WeakPolarHBondContact CD1-OE2 3.47Å; F22-K679 HydrophobicContact CB-CD 4.29Å; F22-K679 VanDerWaalsContact CB-NZ 3.27Å; F22-K679 HydrophobicContact CD1-CD 3.77Å; F22-K679 HydrophobicContact CD2-CD 4.11Å; F22-K679 HydrophobicContact CE1-CD 4.05Å; F22-K679 HydrophobicContact CE2-CD 4.38Å; F22-K679 HydrophobicContact CG-CD 3.8Å; F22-K679 HydrophobicContact CZ-CD 4.35Å
23	I	87.3	Confident	75.2	Confident	11 Å²	11	54.8 Å²	54.8	6%	0.056	29%	0.291	C	S	.	.	S	Bend	trans	-78.8	-37.9	-179.3	-65.1	-61.4	0	0	0	112	Y21 R401 V404 L525 L530 L627 E676	Y21-I23 HydrophobicContact CE1-CD1 4.49Å; I23-R401 HydrophobicContact CG2-CB 3.73Å; I23-V404 HydrophobicContact CD1-CG2 3.77Å; I23-V404 HydrophobicContact CG1-CG2 3.72Å; I23-L525 HydrophobicContact CD1-CD1 4.32Å; I23-L525 HydrophobicContact CD1-CD2 4.3Å; I23-L530 HydrophobicContact CD1-CD2 3.74Å; I23-L627 HydrophobicContact CD1-CD2 3.56Å; I23-L627 HydrophobicContact CG1-CD2 3.94Å; I23-E676 PolarHBondContact N-OE1 3.41Å; I23-E676 PolarHBondContact N-OE2 2.94Å
24	S	86.8	Confident	77.2	Confident	6 Å²	6	52 Å²	52	4%	0.042	28%	0.275	C	S	.	.			trans	-102	155.5	177.3	60.5	0	0	0	0	112.2	H26 E676 K679	S24-H26 WeakPolarHBondContact CB-ND1 3.39Å; S24-H26 PolarHBondContact OG-CE1 3.34Å; S24-H26 PolarHBondContact OG-ND1 2.89Å; S24-E676 PolarHBondContact N-OE1 3.44Å; S24-E676 PolarHBondContact OG-OE1 2.8Å; S24-E676 VanDerWaalsContact OG-OE1 3.06Å; S24-K679 PolarHBondContact O-NZ 3.36Å; S24-K679 PolarHBondContact OG-NZ 3.13Å
25	K	85.4	Confident	79	Confident	214 Å²	214	45.9 Å²	45.9	93%	0.93	25%	0.249	S	C	*	.			trans	-103.8	18.7	179.5	-62.5	-174.7	177.7	-176.7	0	113.3
26	H	88.3	Confident	80.7	Confident	10 Å²	10	43.2 Å²	43.2	5%	0.046	23%	0.229	C	C	.	.			trans	-68.6	155.5	177	65.5	-99.4	0	0	0	111.2	S24 E393 A394 E676 I677 K679	S24-H26 WeakPolarHBondContact CB-ND1 3.39Å; S24-H26 PolarHBondContact OG-CE1 3.34Å; S24-H26 PolarHBondContact OG-ND1 2.89Å; H26-E393 HydrophobicContact CB-CG 4.37Å; H26-A394 WeakPolarHBondContact NE2-CB 3.4Å; H26-E676 PolarHBondContact CE1-O 2.95Å; H26-E676 PolarHBondContact NE2-O 3.04Å; H26-E676 VanDerWaalsContact NE2-O 3.14Å; H26-I677 PolarHBondContact NE2-O 2.77Å; H26-K679 WeakPolarHBondContact CE1-CE 3.15Å; H26-K679 WeakPolarHBondContact NE2-CE 3.33Å
27	E	83.9	Confident	82.3	Confident	94 Å²	94	43.7 Å²	43.7	44%	0.439	23%	0.23	S	C	.	.			trans	-68.6	-38.6	-173.9	-172.7	-178.7	165.4	0	0	112.9	H371 R386 L390	E27-H371 PolarHBondContact O-ND1 3.23Å; E27-R386 IonicContact OE1-NH2 3.72Å; E27-L390 HydrophobicContact CB-CD2 4.04Å
28	G	86.4	Confident	83.3	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.01	24%	0.24	C	C	.	.			trans	80.3	-172.1	178.7	0	0	0	0	0	113.6	H371 M678	G28-H371 VanDerWaalsContact C-ND1 3.28Å; G28-H371 PolarHBondContact O-ND1 3.16Å; G28-M678 CarbonylContact C-O 3.13Å; G28-M678 VanDerWaalsContact CA-O 3.32Å; G28-M678 WeakPolarHBondContact CA-O 3.34Å
29	F	89.2	Confident	84.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	159.6	-178.6	56.9	-88.9	0	0	0	110.7	L368 R369 H371 L387 V391 A394 L658 I677 M678	F29-L368 HydrophobicContact CD2-CD2 3.73Å; F29-L368 HydrophobicContact CE2-CD2 3.67Å; F29-R369 CarbonylContact C-O 3.59Å; F29-H371 VanDerWaalsContact CA-CE1 3.47Å; F29-H371 WeakPolarHBondContact CA-CE1 3.17Å; F29-H371 WeakPolarHBondContact CA-ND1 3.36Å; F29-H371 PolarHBondContact N-CE1 2.76Å; F29-H371 PolarHBondContact N-ND1 2.73Å; F29-H371 PolarHBondContact O-CE1 3.04Å; F29-L387 HydrophobicContact CB-CD1 4.01Å; F29-V391 HydrophobicContact CD1-CG2 3.8Å; F29-V391 HydrophobicContact CD2-CG2 4.48Å; F29-V391 HydrophobicContact CE1-CB 4.23Å; F29-V391 HydrophobicContact CE1-CG2 3.67Å; F29-V391 HydrophobicContact CE2-CG2 4.35Å; F29-V391 HydrophobicContact CG-CG2 4.22Å; F29-V391 HydrophobicContact CZ-CG2 3.96Å; F29-A394 HydrophobicContact CE1-CB 4.06Å; F29-L658 HydrophobicContact CE2-CD2 3.9Å; F29-L658 HydrophobicContact CZ-CD2 3.49Å; F29-L658 VanDerWaalsContact CZ-CD2 3.49Å; F29-I677 HydrophobicContact CE1-CG2 3.86Å; F29-I677 HydrophobicContact CZ-CG2 3.75Å; F29-M678 HydrophobicContact CD2-CG 4.24Å; F29-M678 HydrophobicContact CE2-CG 3.69Å; F29-M678 HydrophobicContact CZ-CG 3.9Å; F29-M678 PolarHBondContact N-O 3Å; F29-M678 VanDerWaalsContact O-CB 3.3Å; F29-M678 WeakPolarHBondContact O-CB 3.5Å
30	I	86.2	Confident	84.9	Confident	43 Å²	43	45.3 Å²	45.3	22%	0.221	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	146.5	178	-54.8	165.9	0	0	0	109	L368 R369	I30-L368 CarbonylContact O-C 3.56Å; I30-L368 VanDerWaalsContact O-CA 3.31Å; I30-L368 WeakPolarHBondContact O-CA 3.36Å; I30-R369 HydrophobicContact CB-CG 3.68Å; I30-R369 HydrophobicContact CD1-CG 4.34Å; I30-R369 HydrophobicContact CG1-CG 4.47Å; I30-R369 HydrophobicContact CG2-CG 4.26Å; I30-R369 PolarHBondContact N-O 2.89Å; I30-R369 PolarHBondContact O-N 3.14Å
31	G	85.6	Confident	85.9	Confident	16 Å²	16	43.6 Å²	43.6	17%	0.165	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	163.9	173	0	0	0	0	0	111.6	R366 M678	G31-R366 CarbonylContact C-O 3.51Å; G31-R366 WeakPolarHBondContact CA-O 3.49Å; G31-M678 WeakPolarHBondContact O-CE 3.34Å
32	S	85.8	Confident	86.4	Confident	50 Å²	50	40.9 Å²	40.9	35%	0.35	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.9	179.1	-58.5	0	0	0	0	110.5	R366	S32-R366 PolarHBondContact N-O 3.48Å; S32-R366 PolarHBondContact O-N 3.42Å
33	I	85.5	Confident	86.8	Confident	45 Å²	45	38.7 Å²	38.7	23%	0.231	20%	0.196	C	C	.	.			trans	-107.3	156.1	172.6	62.8	169.4	0	0	0	111.1	T35 V365 T671 L674	I33-T35 PolarHBondContact O-N 2.78Å; I33-V365 HydrophobicContact CG2-CG1 4.24Å; I33-V365 HydrophobicContact CG2-CG2 4.05Å; I33-T671 HydrophobicContact CD1-CG2 4.28Å; I33-L674 HydrophobicContact CD1-CD1 4.41Å; I33-L674 HydrophobicContact CG2-CD1 4.07Å
34	K	82.3	Confident	87.1	Confident	25 Å²	25	38.3 Å²	38.3	11%	0.109	19%	0.194	C	C	.	.	S	Bend	trans	56.5	30.7	179.5	-57.5	-176.6	173.1	-173.6	0	112.6	F40 D308 R310	K34-F40 HydrophobicContact CD-CD2 4.14Å; K34-F40 HydrophobicContact CD-CG 4.41Å; K34-F40 VanDerWaalsContact CE-CE2 3.41Å; K34-F40 HydrophobicContact CG-CB 4.02Å; K34-F40 HydrophobicContact CG-CD2 3.59Å; K34-F40 HydrophobicContact CG-CE2 4.32Å; K34-F40 HydrophobicContact CG-CG 3.95Å; K34-D308 IonicContact NZ-OD1 2.91Å; K34-D308 PolarHBondContact NZ-OD1 3.43Å; K34-R310 HydrophobicContact CD-CB 4.34Å; K34-R310 PolarHBondContact O-NH2 3.01Å
35	T	78.2	Confident	87.3	Confident	33 Å²	33	38.7 Å²	38.7	20%	0.202	20%	0.195	C	C	.	.	S	Bend	trans	-61.3	-52	174.6	-52.8	0	0	0	0	109.5	I33	I33-T35 PolarHBondContact O-N 2.78Å
36	F	82.7	Confident	87.3	Confident	23 Å²	23	30.3 Å²	30.3	10%	0.101	16%	0.161	C	C	.	.	S	Bend	trans	-105.4	156.7	164	-54.3	-70.6	0	0	0	110.8	E38 D39 G645 K648	F36-E38 PolarHBondContact O-N 3.13Å; F36-D39 VanDerWaalsContact CD2-OD2 3.29Å; F36-D39 WeakPolarHBondContact CD2-OD2 3.46Å; F36-D39 PolarHBondContact N-OD2 3.34Å; F36-D39 WeakPolarHBondContact O-CB 3.27Å; F36-D39 PolarHBondContact O-N 2.88Å; F36-G645 WeakPolarHBondContact CE1-O 3.46Å; F36-K648 HydrophobicContact CZ-CB 4.5Å
37	I	84.8	Confident	87	Confident	53 Å²	53	34.8 Å²	34.8	27%	0.272	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-65.4	-33.5	176.5	-62.7	152.3	0	0	0	110.5	D39 F40 E279 N280 V312	I37-D39 VanDerWaalsContact C-N 3.28Å; I37-D39 PolarHBondContact O-N 2.94Å; I37-F40 PolarHBondContact O-N 3Å; I37-E279 HydrophobicContact CG2-CG 3.67Å; I37-N280 HydrophobicContact CD1-CB 3.61Å; I37-N280 HydrophobicContact CG1-CB 4.1Å; I37-N280 HydrophobicContact CG2-CB 4.28Å; I37-V312 HydrophobicContact CG2-CG2 4.14Å
38	E	85.6	Confident	87	Confident	139 Å²	139	35.6 Å²	35.6	65%	0.65	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-70.2	-21.1	178.7	-61.8	172.7	-161.1	0	0	113.3	F36 F40 V41	F36-E38 PolarHBondContact O-N 3.13Å; E38-F40 PolarHBondContact O-N 3.33Å; E38-V41 WeakPolarHBondContact O-CG2 3.39Å
39	D	86.8	Confident	86.6	Confident	7 Å²	7	37 Å²	37	4%	0.037	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-71.3	-8.1	177.6	-66.6	-25.1	0	0	0	112.7	F36 I37 L363 V364 R366	F36-D39 VanDerWaalsContact CD2-OD2 3.29Å; F36-D39 WeakPolarHBondContact CD2-OD2 3.46Å; F36-D39 PolarHBondContact N-OD2 3.34Å; F36-D39 WeakPolarHBondContact O-CB 3.27Å; F36-D39 PolarHBondContact O-N 2.88Å; I37-D39 VanDerWaalsContact C-N 3.28Å; I37-D39 PolarHBondContact O-N 2.94Å; D39-L363 CarbonylContact O-C 3.53Å; D39-L363 WeakPolarHBondContact O-CA 3.27Å; D39-V364 HydrophobicContact CB-CB 3.93Å; D39-V364 PolarHBondContact O-N 2.83Å; D39-R366 VanDerWaalsContact CG-NE 3.35Å; D39-R366 IonicContact OD1-CZ 2.89Å; D39-R366 IonicContact OD1-NE 3.81Å; D39-R366 PolarHBondContact OD1-NE 2.75Å; D39-R366 VanDerWaalsContact OD1-NE 3.15Å; D39-R366 IonicContact OD1-NH2 2.75Å; D39-R366 PolarHBondContact OD1-NH2 2.64Å; D39-R366 IonicContact OD2-CZ 3.85Å; D39-R366 IonicContact OD2-NE 3.7Å; D39-R366 PolarHBondContact OD2-NE 2.88Å; D39-R366 IonicContact OD2-NH2 3.91Å
40	F	90.8	Very high	86.5	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	90	-176.8	-158	-77	0	0	0	109.5	K34 I37 E38 V42 A311 V312 F361 L363 A670	K34-F40 HydrophobicContact CD-CD2 4.14Å; K34-F40 HydrophobicContact CD-CG 4.41Å; K34-F40 VanDerWaalsContact CE-CE2 3.41Å; K34-F40 HydrophobicContact CG-CB 4.02Å; K34-F40 HydrophobicContact CG-CD2 3.59Å; K34-F40 HydrophobicContact CG-CE2 4.32Å; K34-F40 HydrophobicContact CG-CG 3.95Å; I37-F40 PolarHBondContact O-N 3Å; E38-F40 PolarHBondContact O-N 3.33Å; F40-V42 HydrophobicContact CD1-CG2 3.73Å; F40-V42 HydrophobicContact CE1-CG2 3.48Å; F40-V42 VanDerWaalsContact CE1-CG2 3.48Å; F40-A311 HydrophobicContact CB-CB 4.45Å; F40-A311 HydrophobicContact CD1-CB 3.64Å; F40-A311 HydrophobicContact CE1-CB 4.42Å; F40-A311 HydrophobicContact CG-CB 4.46Å; F40-A311 VanDerWaalsContact O-CA 3.28Å; F40-A311 WeakPolarHBondContact O-CA 3.36Å; F40-A311 VanDerWaalsContact O-CB 3.27Å; F40-A311 WeakPolarHBondContact O-CB 3.31Å; F40-V312 PolarHBondContact O-N 3.14Å; F40-F361 HydrophobicContact CE1-CD1 4.35Å; F40-F361 HydrophobicContact CE1-CE1 4.43Å; F40-F361 HydrophobicContact CZ-CD1 4.4Å; F40-L363 HydrophobicContact CB-CD2 4.35Å; F40-L363 HydrophobicContact CD1-CD2 4.02Å; F40-L363 HydrophobicContact CD2-CD2 3.33Å; F40-L363 HydrophobicContact CE1-CD2 4.13Å; F40-L363 HydrophobicContact CE2-CD1 4.31Å; F40-L363 HydrophobicContact CE2-CD2 3.42Å; F40-L363 VanDerWaalsContact CE2-CD2 3.42Å; F40-L363 HydrophobicContact CG-CD2 3.64Å; F40-L363 HydrophobicContact CZ-CD2 3.84Å; F40-A670 HydrophobicContact CZ-CB 4.37Å
41	V	93.4	Very high	86.6	Confident	28 Å²	28	45 Å²	45	17%	0.17	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.9	178.1	-170.7	0	0	0	0	109.8	E38 V312 Y314 F361 D362	E38-V41 WeakPolarHBondContact O-CG2 3.39Å; V41-V312 CarbonylContact C-O 3.52Å; V41-V312 VanDerWaalsContact CA-O 3.28Å; V41-V312 WeakPolarHBondContact CA-O 3.17Å; V41-V312 HydrophobicContact CG1-CB 4.47Å; V41-V312 HydrophobicContact CG2-CB 4.32Å; V41-Y314 HydrophobicContact CG1-CD2 4.13Å; V41-Y314 HydrophobicContact CG1-CE2 3.72Å; V41-F361 WeakPolarHBondContact O-CA 3.37Å; V41-D362 HydrophobicContact CB-CB 4.1Å; V41-D362 PolarHBondContact N-O 3.18Å; V41-D362 PolarHBondContact O-N 2.93Å
42	V	93.3	Very high	86.6	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.1	177.5	-170.7	0	0	0	0	109.4	F40 A311 V312 T313 Y314 N359 H360 F361	F40-V42 HydrophobicContact CD1-CG2 3.73Å; F40-V42 HydrophobicContact CE1-CG2 3.48Å; F40-V42 VanDerWaalsContact CE1-CG2 3.48Å; V42-A311 HydrophobicContact CG2-CB 4.39Å; V42-V312 PolarHBondContact N-O 2.95Å; V42-T313 HydrophobicContact CB-CG2 4.1Å; V42-T313 HydrophobicContact CG2-CG2 4.34Å; V42-T313 CarbonylContact O-C 3.58Å; V42-T313 VanDerWaalsContact O-CA 3.24Å; V42-T313 WeakPolarHBondContact O-CA 3.35Å; V42-Y314 PolarHBondContact O-N 3.07Å; V42-N359 HydrophobicContact CG1-CB 3.93Å; V42-H360 CarbonylContact C-O 3.53Å; V42-H360 WeakPolarHBondContact CA-O 3.4Å; V42-F361 HydrophobicContact CB-CD1 4.48Å; V42-F361 HydrophobicContact CB-CE1 4.4Å; V42-F361 HydrophobicContact CG1-CD1 4.21Å; V42-F361 HydrophobicContact CG1-CE1 3.79Å; V42-F361 HydrophobicContact CG1-CZ 4.27Å; V42-F361 HydrophobicContact CG2-CD1 3.86Å; V42-F361 HydrophobicContact CG2-CE1 3.8Å
43	T	93.9	Very high	85.9	Confident	8 Å²	8	48.8 Å²	48.8	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122.1	177.6	-58.1	0	0	0	0	109.8	K51 V52 N359 H360	T43-K51 HydrophobicContact CG2-CB 4.05Å; T43-V52 WeakPolarHBondContact CG2-O 3.49Å; T43-N359 CarbonylContact O-C 3.52Å; T43-N359 WeakPolarHBondContact O-CA 3.25Å; T43-H360 PolarHBondContact N-O 2.86Å; T43-H360 PolarHBondContact O-N 2.93Å
44	E	93.8	Very high	84.7	Confident	3 Å²	3	50.4 Å²	50.4	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.8	177	-178	166.3	92.4	0	0	111.7	V52 K307 Y314 Q315 S316 L356	E44-V52 HydrophobicContact CB-CG2 3.96Å; E44-V52 HydrophobicContact CG-CG2 4.3Å; E44-V52 WeakPolarHBondContact O-CG2 3.13Å; E44-V52 PolarHBondContact O-N 3.17Å; E44-K307 WeakPolarHBondContact OE2-CE 3.28Å; E44-K307 IonicContact OE2-NZ 2.87Å; E44-K307 PolarHBondContact OE2-NZ 2.86Å; E44-Y314 WeakPolarHBondContact CB-O 3.22Å; E44-Y314 PolarHBondContact N-O 3.01Å; E44-Q315 HydrophobicContact CB-CB 4.49Å; E44-S316 WeakPolarHBondContact OE1-CB 3.47Å; E44-S316 PolarHBondContact OE1-N 3.01Å; E44-L356 HydrophobicContact CG-CB 4.12Å
45	I	91.5	Very high	82.8	Confident	15 Å²	15	52.2 Å²	52.2	8%	0.077	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.3	169.4	-56.3	173	0	0	0	107.2	G49 K51 R357 G358 H360 D663	I45-G49 VanDerWaalsContact CG2-C 3.5Å; I45-K51 HydrophobicContact CG1-CG 4.47Å; I45-R357 HydrophobicContact CG2-CB 4.18Å; I45-R357 PolarHBondContact O-N 2.89Å; I45-R357 VanDerWaalsContact O-N 3.14Å; I45-G358 WeakPolarHBondContact CB-O 3.34Å; I45-G358 PolarHBondContact N-O 3.27Å; I45-H360 HydrophobicContact CG1-CB 4.45Å; I45-D663 HydrophobicContact CD1-CB 3.79Å
46	D	86.2	Confident	80.4	Confident	38 Å²	38	59.2 Å²	59.2	20%	0.203	32%	0.315	C	S	.	.			trans	-70.4	179.3	-174.1	76.6	6	0	0	0	113.1	N48 G49 Q50 R357	D46-N48 PolarHBondContact O-N 3.16Å; D46-N48 VanDerWaalsContact O-N 3.14Å; D46-N48 VanDerWaalsContact OD1-CA 3.31Å; D46-N48 WeakPolarHBondContact OD1-CA 3.44Å; D46-N48 WeakPolarHBondContact OD1-CB 3.15Å; D46-N48 PolarHBondContact OD1-N 3.11Å; D46-G49 PolarHBondContact O-N 3.39Å; D46-G49 PolarHBondContact OD1-N 2.98Å; D46-Q50 PolarHBondContact N-O 3.23Å; D46-Q50 PolarHBondContact OD1-N 3.42Å; D46-R357 WeakPolarHBondContact O-CG 3.43Å
47	I	81.9	Confident	77.9	Confident	103 Å²	103	63 Å²	63	53%	0.528	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.2	177.5	52.7	166.6	0	0	0	113.2	R355 R357	I47-R355 HydrophobicContact CG2-CB 3.84Å; I47-R355 WeakPolarHBondContact CG2-O 3.38Å; I47-R357 WeakPolarHBondContact O-CD 3.41Å
48	N	82.3	Confident	75.2	Confident	112 Å²	112	66.4 Å²	66.4	60%	0.599	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.1	-177.9	-56.9	-42.6	0	0	0	111.8	D46	D46-N48 PolarHBondContact O-N 3.16Å; D46-N48 VanDerWaalsContact O-N 3.14Å; D46-N48 VanDerWaalsContact OD1-CA 3.31Å; D46-N48 WeakPolarHBondContact OD1-CA 3.44Å; D46-N48 WeakPolarHBondContact OD1-CB 3.15Å; D46-N48 PolarHBondContact OD1-N 3.11Å
49	G	79.2	Confident	72.3	Confident	30 Å²	30	68.4 Å²	68.4	31%	0.309	38%	0.383	S	S	.	.	S	Bend	trans	83.8	12	-175.7	0	0	0	0	0	113.9	I45 D46	I45-G49 VanDerWaalsContact CG2-C 3.5Å; D46-G49 PolarHBondContact O-N 3.39Å; D46-G49 PolarHBondContact OD1-N 2.98Å
50	Q	85.9	Confident	69.4	Low	117 Å²	117	74.7 Å²	74.7	55%	0.547	42%	0.422	S	S	.	.			trans	-92.9	137.8	177.2	-61.7	-171.9	6.6	0	0	110.4	D46 V52	D46-Q50 PolarHBondContact N-O 3.23Å; D46-Q50 PolarHBondContact OD1-N 3.42Å; Q50-V52 PolarHBondContact O-N 2.6Å
51	K	89.2	Confident	66.2	Low	94 Å²	94	79.5 Å²	79.5	41%	0.409	46%	0.462	S	S	.	.	B	Isolated β-bridge	trans	-64.1	129.5	169.9	-63.4	-178.6	-172.4	179.5	0	108.5	T43 I45 K53 H360 D663	T43-K51 HydrophobicContact CG2-CB 4.05Å; I45-K51 HydrophobicContact CG1-CG 4.47Å; K51-K53 PolarHBondContact O-N 3.19Å; K51-H360 HydrophobicContact CD-CB 3.99Å; K51-H360 WeakPolarHBondContact CE-ND1 3.26Å; K51-H360 HydrophobicContact CG-CB 4.26Å; K51-H360 PolarHBondContact NZ-CD2 2.79Å; K51-H360 VanDerWaalsContact NZ-CD2 3.31Å; K51-H360 PolarHBondContact NZ-CE1 3.33Å; K51-H360 VanDerWaalsContact NZ-CG 3.35Å; K51-H360 PolarHBondContact NZ-ND1 3.45Å; K51-H360 VanDerWaalsContact NZ-ND1 3.12Å; K51-H360 PolarHBondContact NZ-NE2 3.44Å; K51-D663 IonicContact NZ-OD1 3.64Å
52	V	85.4	Confident	62.8	Low	12 Å²	12	81.5 Å²	81.5	7%	0.073	49%	0.489	C	S	.	.			trans	-58.5	114.1	176.7	173.5	0	0	0	0	108.4	T43 E44 Q50 T54 T275	T43-V52 WeakPolarHBondContact CG2-O 3.49Å; E44-V52 HydrophobicContact CB-CG2 3.96Å; E44-V52 HydrophobicContact CG-CG2 4.3Å; E44-V52 WeakPolarHBondContact O-CG2 3.13Å; E44-V52 PolarHBondContact O-N 3.17Å; Q50-V52 PolarHBondContact O-N 2.6Å; V52-T54 PolarHBondContact O-N 2.93Å; V52-T275 HydrophobicContact CG1-CG2 3.38Å; V52-T275 WeakPolarHBondContact CG1-OG1 3.41Å
53	K	71.4	Confident	59.4	Low	134 Å²	134	87.5 Å²	87.5	58%	0.583	53%	0.529	S	S	*	.			trans	-54.9	119.6	-168.1	-67.2	-175.7	179.2	-178.3	0	112	K51	K51-K53 PolarHBondContact O-N 3.19Å
54	T	59.8	Low	55.9	Low	79 Å²	79	93 Å²	93	49%	0.485	56%	0.563	S	S	.	*			trans	-65.2	123.3	157.6	28.7	0	0	0	0	107.5	V52 Q56 Y314	V52-T54 PolarHBondContact O-N 2.93Å; T54-Q56 PolarHBondContact O-N 3.49Å; T54-Y314 HydrophobicContact CG2-CD1 3.93Å; T54-Y314 HydrophobicContact CG2-CD2 4.11Å; T54-Y314 HydrophobicContact CG2-CE1 3.55Å; T54-Y314 HydrophobicContact CG2-CE2 3.75Å; T54-Y314 HydrophobicContact CG2-CG 4.2Å; T54-Y314 VanDerWaalsContact CG2-CZ 3.47Å
55	G	42.6	Very low	52.5	Low	62 Å²	62	98.1 Å²	98.1	64%	0.639	60%	0.599	S	S	*	*			trans	-59.6	103.6	-174.8	0	0	0	0	0	112.3
56	Q	28.1	Very low	49.3	Very low	181 Å²	181	103.2 Å²	103.2	85%	0.846	64%	0.636	S	S	*	*			trans	-93.9	137.8	149.9	-85.1	-172.3	-16.1	0	0	108.6	T54 V58	T54-Q56 PolarHBondContact O-N 3.49Å; Q56-V58 PolarHBondContact O-N 3.05Å
57	A	30.4	Very low	46.2	Very low	101 Å²	101	110.1 Å²	110.1	84%	0.835	67%	0.667	S	S	*	*			trans	-53.6	120.5	179.8	0	0	0	0	0	110.7	Q59	A57-Q59 PolarHBondContact O-N 2.98Å
58	V	27.3	Very low	43.4	Very low	126 Å²	126	112.7 Å²	112.7	76%	0.764	68%	0.677	S	S	*	*			trans	-74	110.4	168.5	173.3	0	0	0	0	106.8	Q56 T60	Q56-V58 PolarHBondContact O-N 3.05Å; V58-T60 PolarHBondContact O-N 3.33Å
59	Q	25.4	Very low	40.7	Very low	181 Å²	181	113.9 Å²	113.9	85%	0.846	68%	0.683	S	S	*	*			trans	-57.6	125.2	160	-76.5	178.9	-6.5	0	0	108.2	A57	A57-Q59 PolarHBondContact O-N 2.98Å
60	T	25.7	Very low	38	Very low	139 Å²	139	121 Å²	121	85%	0.853	71%	0.708	S	S	*	*			trans	-55.8	130.6	175.9	40.7	0	0	0	0	112.1	V58	V58-T60 PolarHBondContact O-N 3.33Å
61	A	23.3	Very low	35	Very low	104 Å²	104	122.4 Å²	122.4	86%	0.86	73%	0.725	S	S	*	*			trans	-119.6	104.2	154.9	0	0	0	0	0	108.8
62	G	22.1	Very low	31.8	Very low	71 Å²	71	125.1 Å²	125.1	73%	0.732	74%	0.744	S	S	*	*			trans	61.8	103.4	145.6	0	0	0	0	0	120.4
63	C	21.4	Very low	28.9	Very low	128 Å²	128	131.1 Å²	131.1	87%	0.865	78%	0.781	S	S	*	*				-170.5	104.9	117.2	-105.3	0	0	0	0	111.7
64	T	21.3	Very low	26.5	Very low	124 Å²	124	132.4 Å²	132.4	76%	0.761	79%	0.789	S	S	*	*			trans	5.8	119.4	144.5	47.5	0	0	0	0	120.7
65	S	21.7	Very low	24.7	Very low	109 Å²	109	135.3 Å²	135.3	76%	0.762	80%	0.801	S	S	*	*				53.6	120.1	128	66.8	0	0	0	0	121.4
66	S	24.1	Very low	23.7	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	81%	0.813	S	S	*	*				-167.5	122.4	114	50.9	0	0	0	0	110.1
67	E	22	Very low	23.4	Very low	184 Å²	184	140.7 Å²	140.7	86%	0.86	81%	0.806	S	S	*	*			trans	-67.2	149.2	173.1	-62.9	169.3	146.5	0	0	110.9
68	E	23.2	Very low	23	Very low	157 Å²	157	141.8 Å²	141.8	73%	0.734	80%	0.798	S	S	*	*				168.5	138.4	108.9	-94.7	-169.6	-177.5	0	0	114.1
69	N	24.6	Very low	22.7	Very low	137 Å²	137	142.1 Å²	142.1	73%	0.733	80%	0.795	S	S	*	*			trans	85	107.8	142.9	-63.5	-23.8	0	0	0	122.6
70	Q	22.9	Very low	22.6	Very low	180 Å²	180	143.4 Å²	143.4	84%	0.841	79%	0.793	S	S	*	*			trans	-49.8	153.7	154.7	-62.2	164.9	-4.4	0	0	112.7
71	T	23.3	Very low	22.3	Very low	145 Å²	145	141.6 Å²	141.6	89%	0.89	79%	0.785	S	S	*	*				-168.5	133.8	119.5	24.3	0	0	0	0	111.1
72	N	21.7	Very low	22.2	Very low	152 Å²	152	141.9 Å²	141.9	81%	0.813	78%	0.781	S	S	*	*			trans	-56.8	156.1	167.3	-65.6	-41.9	0	0	0	111.4
73	T	24.2	Very low	22.2	Very low	138 Å²	138	142 Å²	142	85%	0.847	78%	0.782	S	S	*	*				-169.4	129.4	111.4	-56.9	0	0	0	0	111.4
74	E	21.9	Very low	22.2	Very low	161 Å²	161	140.9 Å²	140.9	75%	0.752	78%	0.775	S	S	*	*			trans	-47.8	140.5	170.2	-71.6	166.4	153.3	0	0	117.1
75	L	21.8	Very low	22.3	Very low	140 Å²	140	143.7 Å²	143.7	73%	0.733	78%	0.78	S	S	*	*				69.9	119.9	109.6	-63.2	165.7	0	0	0	117.3
76	K	22.5	Very low	22.3	Very low	205 Å²	205	146.9 Å²	146.9	89%	0.891	79%	0.789	S	S	*	*				-163	91.9	127.8	-107.1	173.1	-173.8	-179.2	0	111.5
77	E	21.3	Very low	22.3	Very low	150 Å²	150	145.4 Å²	145.4	70%	0.701	78%	0.784	S	S	*	*				22.5	144.1	122	-86.2	-176.4	171.6	0	0	122.4
78	N	21.3	Very low	22.3	Very low	125 Å²	125	144.8 Å²	144.8	67%	0.668	79%	0.786	S	S	*	*			trans	93.8	134.5	149.5	-60.3	-17.9	0	0	0	116.7
79	L	21.5	Very low	22.3	Very low	133 Å²	133	143.8 Å²	143.8	70%	0.696	79%	0.79	S	S	*	*			cis	-167.2	154.7	4.9	-135.7	110.6	0	0	0	107.7
80	Y	22.3	Very low	22.3	Very low	207 Å²	207	142.4 Å²	142.4	81%	0.812	79%	0.791	S	S	*	*			trans	-1.5	154.4	157.3	-67	-89	0	0	0	120.1
81	C	20.6	Very low	22.4	Very low	101 Å²	101	138.7 Å²	138.7	68%	0.682	79%	0.786	S	S	*	*			cis	-175.5	143.3	29.1	-137	0	0	0	0	111.5
82	S	21.4	Very low	22.4	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	78%	0.781	S	S	*	*				67.8	131	127	74.7	0	0	0	0	124.8
83	G	20.9	Very low	22.7	Very low	73 Å²	73	142.2 Å²	142.2	75%	0.753	78%	0.783	S	S	*	*			trans	87.4	141.5	145.8	0	0	0	0	0	115
84	S	22.5	Very low	22.7	Very low	104 Å²	104	138.9 Å²	138.9	73%	0.727	78%	0.776	S	S	*	*			cis	178.8	150.1	-4.2	42.2	0	0	0	0	106.5
85	Q	22.2	Very low	23.1	Very low	184 Å²	184	137.8 Å²	137.8	86%	0.86	79%	0.786	S	S	*	*			trans	59.3	95.2	152	-65.9	173.3	7.6	0	0	118
86	D	22.3	Very low	23.3	Very low	176 Å²	176	134.1 Å²	134.1	94%	0.941	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-97	118.3	153.8	-85.1	-35.6	0	0	0	109.4
87	A	23.9	Very low	23.5	Very low	90 Å²	90	129.1 Å²	129.1	74%	0.744	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-77.8	135.8	174.5	0	0	0	0	0	110.9	V89	A87-V89 PolarHBondContact O-N 3.36Å
88	D	22.1	Very low	23.8	Very low	171 Å²	171	129.2 Å²	129.2	91%	0.914	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-50.3	123.8	169.5	-99.2	-37.1	0	0	0	111.9
89	V	24.2	Very low	24	Very low	136 Å²	136	128.7 Å²	128.7	82%	0.824	78%	0.78	S	S	*	*			trans	-113.6	113.3	161.6	-179	0	0	0	0	109.1	A87	A87-V89 PolarHBondContact O-N 3.36Å
90	S	23.3	Very low	24.5	Very low	108 Å²	108	127.7 Å²	127.7	76%	0.755	78%	0.781	S	S	*	*			trans	-38.6	128.4	175.9	-179.1	0	0	0	0	114.5
91	S	24.4	Very low	24.8	Very low	103 Å²	103	124 Å²	124	72%	0.72	77%	0.774	S	S	*	*			trans	-113.5	90.8	169.1	53.6	0	0	0	0	109.2
92	D	23.2	Very low	25.4	Very low	149 Å²	149	122.5 Å²	122.5	80%	0.797	76%	0.764	S	S	*	*			trans	-103.9	95	177.4	-154.1	18.4	0	0	0	108.9
93	W	28	Very low	25.9	Very low	222 Å²	222	121.2 Å²	121.2	84%	0.841	76%	0.76	S	S	*	*			trans	-101.3	89.2	175.3	-71.2	96.8	0	0	0	109.4
94	G	24.9	Very low	26.8	Very low	68 Å²	68	126.4 Å²	126.4	70%	0.701	77%	0.769	S	S	*	*			trans	-68	129.3	168.1	0	0	0	0	0	111.5
95	S	30.7	Very low	27.7	Very low	137 Å²	137	125 Å²	125	96%	0.958	77%	0.772	S	S	*	*			trans	-53.7	129.6	167.9	-173.3	0	0	0	0	111
96	G	26	Very low	29.2	Very low	64 Å²	64	118.6 Å²	118.6	66%	0.66	75%	0.747	S	S	*	*			trans	-162.8	103.1	178.9	0	0	0	0	0	112.7
97	S	25.7	Very low	31	Very low	100 Å²	100	112.4 Å²	112.4	70%	0.699	71%	0.712	S	S	*	*			trans	26	125.1	149.6	59	0	0	0	0	120.3	T99	S97-T99 PolarHBondContact O-N 3.43Å; S97-T99 VanDerWaalsContact O-N 3.14Å; S97-T99 PolarHBondContact O-OG1 3.01Å
98	D	28	Very low	33.2	Very low	152 Å²	152	112 Å²	112	81%	0.813	70%	0.697	S	S	*	*			trans	-54.9	110.2	156.1	-74.5	-40.9	0	0	0	109.9
99	T	26.9	Very low	35.7	Very low	114 Å²	114	104.4 Å²	104.4	70%	0.699	66%	0.656	S	S	*	*			trans	-118	128.6	169.7	-38.3	0	0	0	0	108.6	S97	S97-T99 PolarHBondContact O-N 3.43Å; S97-T99 VanDerWaalsContact O-N 3.14Å; S97-T99 PolarHBondContact O-OG1 3.01Å
100	P	30.2	Very low	37.9	Very low	111 Å²	111	101.8 Å²	101.8	72%	0.721	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-63.4	150.3	179.4	-16	28.8	0	0	0	112.1
101	L	30.3	Very low	40.3	Very low	129 Å²	129	102.2 Å²	102.2	68%	0.675	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-56.3	130.2	174.8	-69.7	163	0	0	0	111.2	R154	L101-R154 VanDerWaalsContact CD2-NH2 3.28Å
102	P	31.5	Very low	42.7	Very low	70 Å²	70	99.4 Å²	99.4	46%	0.455	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-76.2	150.7	169.3	-3.7	20.5	0	0	0	111.1
103	A	32.8	Very low	45.2	Very low	84 Å²	84	93.3 Å²	93.3	69%	0.694	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-62.7	161	-179.8	0	0	0	0	0	113.7	G105 S106	A103-G105 PolarHBondContact O-N 2.89Å; A103-S106 PolarHBondContact O-N 3.25Å
104	L	38.7	Very low	47.6	Very low	182 Å²	182	83.9 Å²	83.9	95%	0.953	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	-1.9	-171.4	-154.8	69.9	0	0	0	117.1
105	G	42.3	Very low	49.9	Very low	76 Å²	76	85.2 Å²	85.2	78%	0.784	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	5.3	175.9	0	0	0	0	0	115.9	A103	A103-G105 PolarHBondContact O-N 2.89Å
106	S	52.8	Low	52	Low	48 Å²	48	82.5 Å²	82.5	34%	0.336	53%	0.529	S	S	.	.	S	Bend	trans	-99.1	11.7	-170.6	88.7	0	0	0	0	116.5	A103	A103-S106 PolarHBondContact O-N 3.25Å
107	F	60.4	Low	54.6	Low	47 Å²	47	81.4 Å²	81.4	21%	0.206	51%	0.509	C	S	.	.			trans	-129.5	25.8	-175.3	-65.2	-66.8	0	0	0	113.6	L109 R154 A155	F107-L109 PolarHBondContact O-N 3.45Å; F107-R154 HydrophobicContact CE1-CB 4.15Å; F107-R154 HydrophobicContact CE1-CG 3.64Å; F107-R154 HydrophobicContact CZ-CG 4.02Å; F107-A155 HydrophobicContact CD1-CB 3.88Å
108	D	71.1	Confident	57.2	Low	81 Å²	81	76.8 Å²	76.8	43%	0.433	48%	0.476	S	S	.	.			trans	-70.5	110.9	173.4	-167.1	-15.3	0	0	0	109.8	D110 V111 I112	D108-D110 PolarHBondContact O-N 2.94Å; D108-D110 WeakPolarHBondContact OD1-CB 3.02Å; D108-D110 PolarHBondContact OD1-N 3.48Å; D108-D110 VanDerWaalsContact OD1-N 3.11Å; D108-V111 HydrophobicContact CB-CB 4.16Å; D108-V111 HydrophobicContact CB-CG2 3.9Å; D108-V111 PolarHBondContact O-N 3.21Å; D108-I112 VanDerWaalsContact O-CG1 3.26Å; D108-I112 WeakPolarHBondContact O-CG1 3.5Å; D108-I112 PolarHBondContact O-N 3.41Å
109	L	74.3	Confident	59.7	Low	11 Å²	11	76.2 Å²	76.2	6%	0.058	47%	0.469	C	S	.	.	H	α-helix	trans	-66.3	-28	-177.8	-72.7	173.1	0	0	0	111.6	F107 V111 I112 L113 L121 A155 V156 R159 F160	F107-L109 PolarHBondContact O-N 3.45Å; L109-V111 VanDerWaalsContact C-N 3.27Å; L109-V111 PolarHBondContact O-N 2.83Å; L109-I112 PolarHBondContact O-N 3.43Å; L109-L113 HydrophobicContact CD2-CD1 3.95Å; L109-L113 HydrophobicContact CD2-CG 4.49Å; L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-L113 PolarHBondContact O-N 3.48Å; L109-L121 HydrophobicContact CD1-CD2 4.25Å; L109-A155 HydrophobicContact CD2-CB 3.62Å; L109-V156 HydrophobicContact CD2-CG2 4.16Å; L109-R159 HydrophobicContact CD1-CB 3.87Å; L109-R159 HydrophobicContact CD1-CG 3.81Å; L109-F160 HydrophobicContact CD1-CD2 4.48Å; L109-F160 HydrophobicContact CD1-CE2 3.9Å
110	D	71	Confident	62.3	Low	81 Å²	81	74.9 Å²	74.9	43%	0.433	46%	0.458	S	S	.	.	H	α-helix	trans	-67.9	-32.9	177.4	-64.1	-18.5	0	0	0	111.1	D108 G114 S118	D108-D110 PolarHBondContact O-N 2.94Å; D108-D110 WeakPolarHBondContact OD1-CB 3.02Å; D108-D110 PolarHBondContact OD1-N 3.48Å; D108-D110 VanDerWaalsContact OD1-N 3.11Å; D110-G114 CarbonylContact O-C 3.55Å; D110-G114 WeakPolarHBondContact O-CA 3.45Å; D110-G114 PolarHBondContact O-N 3.41Å; D110-G114 VanDerWaalsContact O-N 3.16Å; D110-S118 WeakPolarHBondContact OD1-CB 3.5Å; D110-S118 PolarHBondContact OD1-OG 3.27Å
111	V	73.1	Confident	64.8	Low	117 Å²	117	69.7 Å²	69.7	71%	0.709	42%	0.424	S	S	*	.	H	α-helix	trans	-80.4	-32.9	176.3	-179.1	0	0	0	0	111.6	D108 L109	D108-V111 HydrophobicContact CB-CB 4.16Å; D108-V111 HydrophobicContact CB-CG2 3.9Å; D108-V111 PolarHBondContact O-N 3.21Å; L109-V111 VanDerWaalsContact C-N 3.27Å; L109-V111 PolarHBondContact O-N 2.83Å
112	I	74.6	Confident	67.2	Low	45 Å²	45	68 Å²	68	23%	0.231	41%	0.412	C	S	.	.	H	α-helix	trans	-85.6	-39.2	-174.3	-67.1	168.1	0	0	0	112.6	D108 L109 V152 A155	D108-I112 VanDerWaalsContact O-CG1 3.26Å; D108-I112 WeakPolarHBondContact O-CG1 3.5Å; D108-I112 PolarHBondContact O-N 3.41Å; L109-I112 PolarHBondContact O-N 3.43Å; I112-V152 HydrophobicContact CG2-CG2 3.68Å; I112-A155 HydrophobicContact CD1-CB 3.74Å
113	L	75.6	Confident	69.5	Low	20 Å²	20	70.6 Å²	70.6	11%	0.105	42%	0.418	C	S	.	.	H	α-helix	trans	-107.4	-17.1	-176.3	-62.4	175.6	0	0	0	112.9	L109 V117 L121 L140 F143 V152	L109-L113 HydrophobicContact CD2-CD1 3.95Å; L109-L113 HydrophobicContact CD2-CG 4.49Å; L109-L113 WeakPolarHBondContact O-CB 3.37Å; L109-L113 PolarHBondContact O-N 3.48Å; L113-V117 HydrophobicContact CB-CB 4.14Å; L113-V117 HydrophobicContact CB-CG1 4.13Å; L113-L121 HydrophobicContact CD1-CD2 4.05Å; L113-L140 HydrophobicContact CD1-CD1 4.35Å; L113-L140 HydrophobicContact CD1-CD2 4.19Å; L113-L140 HydrophobicContact CD2-CB 4.21Å; L113-L140 HydrophobicContact CD2-CD1 4.39Å; L113-F143 HydrophobicContact CD2-CZ 3.86Å; L113-V152 HydrophobicContact CD2-CG1 3.84Å; L113-V152 HydrophobicContact CD2-CG2 4.06Å
114	G	77.8	Confident	71.8	Confident	24 Å²	24	67.6 Å²	67.6	25%	0.247	39%	0.39	C	S	.	.			trans	86.2	148.2	-168.2	0	0	0	0	0	111.6	D110 S116 V117 S118	D110-G114 CarbonylContact O-C 3.55Å; D110-G114 WeakPolarHBondContact O-CA 3.45Å; D110-G114 PolarHBondContact O-N 3.41Å; D110-G114 VanDerWaalsContact O-N 3.16Å; G114-S116 VanDerWaalsContact C-N 3.3Å; G114-S116 PolarHBondContact O-N 2.94Å; G114-V117 PolarHBondContact O-N 2.98Å; G114-S118 WeakPolarHBondContact O-CB 3.31Å; G114-S118 PolarHBondContact O-N 3.47Å
115	P	74.6	Confident	73.8	Confident	97 Å²	97	59 Å²	59	63%	0.63	35%	0.345	S	S	*	.	H	α-helix	trans	-60.4	-34.9	-171.2	20.1	-31.4	0	0	0	113.5	E119	P115-E119 WeakPolarHBondContact O-CB 3.43Å; P115-E119 PolarHBondContact O-N 3.47Å
116	S	75.3	Confident	75.5	Confident	80 Å²	80	59.2 Å²	59.2	56%	0.559	33%	0.326	S	S	*	.	H	α-helix	trans	-66.5	-42.9	178.1	-177	0	0	0	0	113.1	G114 D120	G114-S116 VanDerWaalsContact C-N 3.3Å; G114-S116 PolarHBondContact O-N 2.94Å; S116-D120 VanDerWaalsContact O-CG 3.32Å; S116-D120 PolarHBondContact O-N 3Å; S116-D120 VanDerWaalsContact O-N 3.09Å
117	V	79.7	Confident	76.6	Confident	40 Å²	40	59.9 Å²	59.9	24%	0.242	33%	0.329	C	S	.	.	H	α-helix	trans	-77.9	-30.1	-178.1	-178.8	0	0	0	0	110.7	L113 G114 L121 L140	L113-V117 HydrophobicContact CB-CB 4.14Å; L113-V117 HydrophobicContact CB-CG1 4.13Å; G114-V117 PolarHBondContact O-N 2.98Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 PolarHBondContact O-N 3.24Å; V117-L140 HydrophobicContact CG1-CD2 4.14Å
118	S	80.6	Confident	77.3	Confident	3 Å²	3	59 Å²	59	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-64.4	-45.9	171.6	-165.1	0	0	0	0	111.1	D110 G114 D120 L121 E122	D110-S118 WeakPolarHBondContact OD1-CB 3.5Å; D110-S118 PolarHBondContact OD1-OG 3.27Å; G114-S118 WeakPolarHBondContact O-CB 3.31Å; G114-S118 PolarHBondContact O-N 3.47Å; S118-D120 PolarHBondContact O-N 3.4Å; S118-L121 WeakPolarHBondContact O-CB 3.47Å; S118-L121 PolarHBondContact O-N 3.13Å; S118-E122 WeakPolarHBondContact O-CG 3.18Å; S118-E122 PolarHBondContact O-N 3.33Å
119	E	80.8	Confident	77.2	Confident	140 Å²	140	62.8 Å²	62.8	65%	0.654	33%	0.334	S	S	*	.	H	α-helix	trans	-62.7	-41.7	175.3	-169.6	172.5	-162.6	0	0	112	P115 L121 E122 Q123	P115-E119 WeakPolarHBondContact O-CB 3.43Å; P115-E119 PolarHBondContact O-N 3.47Å; E119-L121 VanDerWaalsContact C-N 3.31Å; E119-L121 PolarHBondContact O-N 3.46Å; E119-E122 PolarHBondContact O-N 2.79Å; E119-Q123 WeakPolarHBondContact O-CB 3.49Å; E119-Q123 PolarHBondContact O-N 3.45Å
120	D	80.6	Confident	76.9	Confident	87 Å²	87	69.9 Å²	69.9	47%	0.465	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-38.7	173.5	-73.8	-25.2	0	0	0	112.3	S116 S118 F124	S116-D120 VanDerWaalsContact O-CG 3.32Å; S116-D120 PolarHBondContact O-N 3Å; S116-D120 VanDerWaalsContact O-N 3.09Å; S118-D120 PolarHBondContact O-N 3.4Å; D120-F124 VanDerWaalsContact O-CB 3.27Å; D120-F124 WeakPolarHBondContact O-CB 3.44Å; D120-F124 PolarHBondContact O-N 3.48Å
121	L	82.3	Confident	76.2	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-40.5	175.9	178.7	61.1	0	0	0	111.7	L109 L113 V117 S118 E119 F124 V125 L138 L140 V156 F160 L163 V174	L109-L121 HydrophobicContact CD1-CD2 4.25Å; L113-L121 HydrophobicContact CD1-CD2 4.05Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 PolarHBondContact O-N 3.24Å; S118-L121 WeakPolarHBondContact O-CB 3.47Å; S118-L121 PolarHBondContact O-N 3.13Å; E119-L121 VanDerWaalsContact C-N 3.31Å; E119-L121 PolarHBondContact O-N 3.46Å; L121-F124 PolarHBondContact O-N 3.24Å; L121-V125 VanDerWaalsContact O-CG2 3.29Å; L121-V125 WeakPolarHBondContact O-CG2 3.28Å; L121-V125 PolarHBondContact O-N 3.45Å; L121-L138 HydrophobicContact CB-CD2 4.17Å; L121-L138 HydrophobicContact CD1-CD2 4.02Å; L121-L140 HydrophobicContact CB-CD2 4.43Å; L121-L140 HydrophobicContact CD1-CD2 4.28Å; L121-L140 HydrophobicContact CD2-CD2 4.28Å; L121-V156 HydrophobicContact CD2-CG2 4.24Å; L121-F160 HydrophobicContact CD2-CD2 4.28Å; L121-F160 HydrophobicContact CD2-CE2 4Å; L121-F160 HydrophobicContact CG-CD2 4.48Å; L121-F160 HydrophobicContact CG-CE2 4.08Å; L121-L163 HydrophobicContact CD1-CD1 3.99Å; L121-V174 HydrophobicContact CD1-CG1 4.12Å; L121-V174 HydrophobicContact CD1-CG2 4.46Å
122	E	81.7	Confident	75.4	Confident	94 Å²	94	79.2 Å²	79.2	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-65.2	-43	174.9	-70.2	-165.6	167.1	0	0	111.7	S118 E119 F124 V125 M126 F160	S118-E122 WeakPolarHBondContact O-CG 3.18Å; S118-E122 PolarHBondContact O-N 3.33Å; E119-E122 PolarHBondContact O-N 2.79Å; E122-F124 VanDerWaalsContact C-N 3.33Å; E122-F124 PolarHBondContact O-N 2.97Å; E122-V125 WeakPolarHBondContact O-CB 3.32Å; E122-V125 PolarHBondContact O-N 3.19Å; E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 2.91Å; E122-F160 HydrophobicContact CG-CZ 4.43Å
123	Q	80.1	Confident	74.3	Confident	124 Å²	124	78.9 Å²	78.9	58%	0.579	39%	0.388	S	S	*	.	H	α-helix	trans	-64.4	-38	176	-170.5	62.5	28.6	0	0	112	E119 M126 T127	E119-Q123 WeakPolarHBondContact O-CB 3.49Å; E119-Q123 PolarHBondContact O-N 3.45Å; Q123-M126 PolarHBondContact O-N 3.4Å; Q123-T127 WeakPolarHBondContact O-CB 3.48Å; Q123-T127 PolarHBondContact O-N 3.18Å; Q123-T127 PolarHBondContact O-OG1 2.98Å
124	F	80.8	Confident	72.8	Confident	22 Å²	22	83.3 Å²	83.3	10%	0.096	42%	0.421	C	S	.	.	H	α-helix	trans	-63.8	-43	173.3	179.2	-106.4	0	0	0	111.6	D120 L121 E122 T127 L128 P136 L138 L163 V174	D120-F124 VanDerWaalsContact O-CB 3.27Å; D120-F124 WeakPolarHBondContact O-CB 3.44Å; D120-F124 PolarHBondContact O-N 3.48Å; L121-F124 PolarHBondContact O-N 3.24Å; E122-F124 VanDerWaalsContact C-N 3.33Å; E122-F124 PolarHBondContact O-N 2.97Å; F124-T127 PolarHBondContact O-N 3.12Å; F124-L128 HydrophobicContact CD1-CD1 3.89Å; F124-L128 HydrophobicContact CD1-CG 4.36Å; F124-L128 HydrophobicContact CE1-CD1 3.41Å; F124-L128 VanDerWaalsContact CE1-CD1 3.41Å; F124-L128 HydrophobicContact CE1-CG 4.06Å; F124-L128 HydrophobicContact CE2-CD2 4.4Å; F124-L128 HydrophobicContact CE2-CG 4.43Å; F124-L128 HydrophobicContact CZ-CD1 3.82Å; F124-L128 HydrophobicContact CZ-CD2 4.1Å; F124-L128 HydrophobicContact CZ-CG 4.1Å; F124-L128 WeakPolarHBondContact O-CG 3.36Å; F124-L128 PolarHBondContact O-N 3.03Å; F124-P136 HydrophobicContact CE2-CG 4.36Å; F124-P136 WeakPolarHBondContact CE2-O 3.36Å; F124-P136 VanDerWaalsContact CZ-O 3.31Å; F124-P136 WeakPolarHBondContact CZ-O 3.1Å; F124-L138 HydrophobicContact CB-CD2 3.82Å; F124-L138 HydrophobicContact CD1-CB 4.18Å; F124-L138 HydrophobicContact CD1-CD2 4.23Å; F124-L138 HydrophobicContact CD2-CB 4.12Å; F124-L138 HydrophobicContact CE1-CB 4.27Å; F124-L138 HydrophobicContact CE2-CB 4.23Å; F124-L138 HydrophobicContact CG-CB 4.09Å; F124-L138 HydrophobicContact CG-CD2 4.03Å; F124-L138 HydrophobicContact CZ-CB 4.31Å; F124-L163 HydrophobicContact CE1-CD2 4.31Å; F124-V174 HydrophobicContact CD1-CG1 4.44Å; F124-V174 HydrophobicContact CE1-CG1 4.01Å
125	V	81.3	Confident	71.7	Confident	2 Å²	2	86 Å²	86	1%	0.012	45%	0.448	C	S	.	.	H	α-helix	trans	-61.5	-44.2	175.2	164.8	0	0	0	0	112	L121 E122 T127 L128 R129 F160 F162 L163	L121-V125 VanDerWaalsContact O-CG2 3.29Å; L121-V125 WeakPolarHBondContact O-CG2 3.28Å; L121-V125 PolarHBondContact O-N 3.45Å; E122-V125 WeakPolarHBondContact O-CB 3.32Å; E122-V125 PolarHBondContact O-N 3.19Å; V125-T127 VanDerWaalsContact C-N 3.31Å; V125-T127 PolarHBondContact O-N 3.31Å; V125-L128 PolarHBondContact O-N 3.09Å; V125-R129 PolarHBondContact O-N 2.92Å; V125-R129 VanDerWaalsContact O-N 3.13Å; V125-F160 HydrophobicContact CB-CE1 4.29Å; V125-F160 HydrophobicContact CG1-CD1 4.13Å; V125-F160 HydrophobicContact CG1-CE1 3.93Å; V125-F160 HydrophobicContact CG2-CD1 3.84Å; V125-F160 HydrophobicContact CG2-CD2 4.32Å; V125-F160 HydrophobicContact CG2-CE1 3.85Å; V125-F160 HydrophobicContact CG2-CE2 4.32Å; V125-F160 HydrophobicContact CG2-CG 4.08Å; V125-F160 HydrophobicContact CG2-CZ 4.09Å; V125-F162 HydrophobicContact CB-CZ 4.42Å; V125-F162 HydrophobicContact CG1-CE2 4.26Å; V125-F162 HydrophobicContact CG1-CZ 3.63Å; V125-F162 HydrophobicContact CG2-CE2 4.2Å; V125-F162 HydrophobicContact CG2-CZ 4Å; V125-L163 HydrophobicContact CG2-CD1 3.73Å
126	M	76.6	Confident	71.4	Confident	79 Å²	79	84.8 Å²	84.8	39%	0.389	44%	0.44	S	S	.	.	H	α-helix	trans	-60.9	-42.1	175.3	-67.9	-62.2	98	0	0	111.3	E122 Q123 L128 R129 E130	E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 2.91Å; Q123-M126 PolarHBondContact O-N 3.4Å; M126-L128 PolarHBondContact O-N 3.45Å; M126-R129 PolarHBondContact O-N 2.98Å; M126-E130 WeakPolarHBondContact O-CG 3.4Å; M126-E130 PolarHBondContact O-N 2.92Å
127	T	76.3	Confident	71.5	Confident	63 Å²	63	84.8 Å²	84.8	39%	0.387	43%	0.431	S	S	.	.	H	α-helix	trans	-64.4	-40	178.1	-54.6	0	0	0	0	112.5	Q123 F124 V125 R129 K131	Q123-T127 WeakPolarHBondContact O-CB 3.48Å; Q123-T127 PolarHBondContact O-N 3.18Å; Q123-T127 PolarHBondContact O-OG1 2.98Å; F124-T127 PolarHBondContact O-N 3.12Å; V125-T127 VanDerWaalsContact C-N 3.31Å; V125-T127 PolarHBondContact O-N 3.31Å; T127-R129 VanDerWaalsContact C-N 3.28Å; T127-R129 PolarHBondContact O-N 3.46Å; T127-K131 PolarHBondContact O-N 2.87Å; T127-K131 VanDerWaalsContact O-N 3.12Å
128	L	74.4	Confident	71.6	Confident	27 Å²	27	84.5 Å²	84.5	14%	0.141	43%	0.428	C	S	.	.	H	α-helix	trans	-65.3	-31.3	175.8	-71.6	-179.9	0	0	0	112.5	F124 V125 M126 P133 L163	F124-L128 HydrophobicContact CD1-CD1 3.89Å; F124-L128 HydrophobicContact CD1-CG 4.36Å; F124-L128 HydrophobicContact CE1-CD1 3.41Å; F124-L128 VanDerWaalsContact CE1-CD1 3.41Å; F124-L128 HydrophobicContact CE1-CG 4.06Å; F124-L128 HydrophobicContact CE2-CD2 4.4Å; F124-L128 HydrophobicContact CE2-CG 4.43Å; F124-L128 HydrophobicContact CZ-CD1 3.82Å; F124-L128 HydrophobicContact CZ-CD2 4.1Å; F124-L128 HydrophobicContact CZ-CG 4.1Å; F124-L128 WeakPolarHBondContact O-CG 3.36Å; F124-L128 PolarHBondContact O-N 3.03Å; V125-L128 PolarHBondContact O-N 3.09Å; M126-L128 PolarHBondContact O-N 3.45Å; L128-P133 HydrophobicContact CD2-CB 3.7Å; L128-P133 HydrophobicContact CD2-CG 3.26Å; L128-P133 HydrophobicContact CG-CG 4.5Å; L128-L163 HydrophobicContact CD1-CD2 3.69Å
129	R	70.9	Confident	71.7	Confident	161 Å²	161	86.5 Å²	86.5	61%	0.608	44%	0.442	S	S	*	.	H	α-helix	trans	-79.5	-35.5	178	-74.8	-177.9	169.5	-166.3	-6.2	113.1	V125 M126 T127 E193	V125-R129 PolarHBondContact O-N 2.92Å; V125-R129 VanDerWaalsContact O-N 3.13Å; M126-R129 PolarHBondContact O-N 2.98Å; T127-R129 VanDerWaalsContact C-N 3.28Å; T127-R129 PolarHBondContact O-N 3.46Å; R129-E193 IonicContact NH2-OE1 3.77Å
130	E	66.3	Low	71.7	Confident	161 Å²	161	80 Å²	80	75%	0.752	41%	0.412	S	S	*	.	H	α-helix	trans	-90.7	-21.6	-174.5	-69.3	-176.2	169.5	0	0	114.9	M126	M126-E130 WeakPolarHBondContact O-CG 3.4Å; M126-E130 PolarHBondContact O-N 2.92Å
131	K	56.6	Low	71.6	Confident	154 Å²	154	77.2 Å²	77.2	67%	0.67	40%	0.404	S	S	*	.	S	Bend	trans	-133.7	137.5	-179.7	-73.2	177.9	179.7	171.1	0	111	T127 P133	T127-K131 PolarHBondContact O-N 2.87Å; T127-K131 VanDerWaalsContact O-N 3.12Å; K131-P133 WeakPolarHBondContact O-CD 3.45Å
132	R	56.1	Low	71.5	Confident	240 Å²	240	81.5 Å²	81.5	91%	0.906	43%	0.434	S	S	*	.			trans	-56.1	109.9	163.9	-84.4	-169.3	-177.8	-177.5	3.1	108.2
133	P	51.6	Low	71.4	Confident	37 Å²	37	78.4 Å²	78.4	24%	0.24	42%	0.419	C	S	.	.			trans	-90.9	124.3	-169.9	20.3	-7.4	0	0	0	110.2	L128 K131 G135	L128-P133 HydrophobicContact CD2-CB 3.7Å; L128-P133 HydrophobicContact CD2-CG 3.26Å; L128-P133 HydrophobicContact CG-CG 4.5Å; K131-P133 WeakPolarHBondContact O-CD 3.45Å; P133-G135 PolarHBondContact O-N 2.81Å
134	S	44.4	Very low	70.9	Confident	114 Å²	114	77.9 Å²	77.9	80%	0.797	43%	0.429	S	S	*	.			trans	-64.4	107.7	151.5	48.8	0	0	0	0	107.1	P136	S134-P136 WeakPolarHBondContact O-CD 3.44Å; S134-P136 VanDerWaalsContact O-N 3.14Å
135	G	55.6	Low	70.7	Confident	79 Å²	79	80.2 Å²	80.2	81%	0.814	44%	0.443	S	S	*	.			trans	-51.8	108.8	-161.9	0	0	0	0	0	116.5	P133	P133-G135 PolarHBondContact O-N 2.81Å
136	P	66.8	Low	70.6	Confident	72 Å²	72	88 Å²	88	47%	0.468	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-93.4	131.9	156.4	14.9	7.5	0	0	0	108.1	F124 S134	F124-P136 HydrophobicContact CE2-CG 4.36Å; F124-P136 WeakPolarHBondContact CE2-O 3.36Å; F124-P136 VanDerWaalsContact CZ-O 3.31Å; F124-P136 WeakPolarHBondContact CZ-O 3.1Å; S134-P136 WeakPolarHBondContact O-CD 3.44Å; S134-P136 VanDerWaalsContact O-N 3.14Å
137	E	77.9	Confident	70.6	Confident	80 Å²	80	90.1 Å²	90.1	37%	0.374	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-78.5	135.3	163.9	-59.1	-176.1	153.3	0	0	108	R173 V174 R175	E137-R173 HydrophobicContact CB-CB 4.42Å; E137-R173 VanDerWaalsContact OE2-CD 3.28Å; E137-R173 WeakPolarHBondContact OE2-CD 3.32Å; E137-R173 IonicContact OE2-NH1 3.48Å; E137-R173 PolarHBondContact OE2-NH1 2.81Å; E137-V174 WeakPolarHBondContact CA-O 3.38Å; E137-R175 HydrophobicContact CG-CB 4.32Å; E137-R175 IonicContact OE1-NH1 2.67Å
138	L	81.9	Confident	70.6	Confident	34 Å²	34	92 Å²	92	18%	0.178	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.4	171.6	-179.4	70.2	0	0	0	109.3	L121 F124 L140 R173 V174	L121-L138 HydrophobicContact CB-CD2 4.17Å; L121-L138 HydrophobicContact CD1-CD2 4.02Å; F124-L138 HydrophobicContact CB-CD2 3.82Å; F124-L138 HydrophobicContact CD1-CB 4.18Å; F124-L138 HydrophobicContact CD1-CD2 4.23Å; F124-L138 HydrophobicContact CD2-CB 4.12Å; F124-L138 HydrophobicContact CE1-CB 4.27Å; F124-L138 HydrophobicContact CE2-CB 4.23Å; F124-L138 HydrophobicContact CG-CB 4.09Å; F124-L138 HydrophobicContact CG-CD2 4.03Å; F124-L138 HydrophobicContact CZ-CB 4.31Å; L138-L140 HydrophobicContact CD2-CD2 4.27Å; L138-R173 CarbonylContact O-C 3.58Å; L138-R173 VanDerWaalsContact O-CA 3.24Å; L138-R173 WeakPolarHBondContact O-CA 3.49Å; L138-V174 HydrophobicContact CB-CB 4.49Å; L138-V174 PolarHBondContact N-O 3.42Å; L138-V174 PolarHBondContact O-N 3.23Å
139	S	82.7	Confident	70.9	Confident	45 Å²	45	94.2 Å²	94.2	32%	0.315	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.5	171	179	0	0	0	0	110.8	G141 E171	S139-G141 PolarHBondContact OG-N 2.83Å; S139-E171 VanDerWaalsContact CB-OE1 3.23Å; S139-E171 WeakPolarHBondContact CB-OE1 3.1Å; S139-E171 WeakPolarHBondContact OG-CG 3.27Å; S139-E171 PolarHBondContact OG-OE1 2.84Å
140	L	80.1	Confident	71.1	Confident	4 Å²	4	89 Å²	89	2%	0.021	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	4.8	172.7	-62.6	-173.7	0	0	0	112.8	L113 V117 L121 L138 F143 V152 V156 T165 I172 V174	L113-L140 HydrophobicContact CD1-CD1 4.35Å; L113-L140 HydrophobicContact CD1-CD2 4.19Å; L113-L140 HydrophobicContact CD2-CB 4.21Å; L113-L140 HydrophobicContact CD2-CD1 4.39Å; V117-L140 HydrophobicContact CG1-CD2 4.14Å; L121-L140 HydrophobicContact CB-CD2 4.43Å; L121-L140 HydrophobicContact CD1-CD2 4.28Å; L121-L140 HydrophobicContact CD2-CD2 4.28Å; L138-L140 HydrophobicContact CD2-CD2 4.27Å; L140-F143 WeakPolarHBondContact O-CE2 3.48Å; L140-V152 HydrophobicContact CD1-CG1 3.93Å; L140-V156 HydrophobicContact CD1-CG2 3.73Å; L140-T165 HydrophobicContact CD1-CG2 4.37Å; L140-I172 HydrophobicContact CB-CB 4.36Å; L140-I172 HydrophobicContact CB-CG2 4.34Å; L140-I172 HydrophobicContact CD1-CG2 4.05Å; L140-I172 PolarHBondContact N-O 2.91Å; L140-V174 HydrophobicContact CD1-CG2 3.3Å; L140-V174 HydrophobicContact CD2-CG2 3.99Å; L140-V174 HydrophobicContact CG-CG2 3.54Å
141	G	79.8	Confident	71.8	Confident	28 Å²	28	84.1 Å²	84.1	29%	0.289	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	96.5	179.8	-178	0	0	0	0	0	114.6	S139 E171 I172	S139-G141 PolarHBondContact OG-N 2.83Å; G141-E171 WeakPolarHBondContact O-CA 3.39Å; G141-I172 PolarHBondContact O-N 2.87Å
142	S	78.9	Confident	72.9	Confident	91 Å²	91	76.9 Å²	76.9	64%	0.636	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	133	-175.4	69.9	0	0	0	0	112.1	P170	S142-P170 WeakPolarHBondContact CA-O 3.3Å
143	F	79.7	Confident	74.1	Confident	30 Å²	30	66.9 Å²	66.9	13%	0.132	40%	0.398	C	S	.	.			trans	-131.5	111.1	-175.4	-61.4	-89.1	0	0	0	109.3	L113 L140 Q148 R149 V152 P170 I172	L113-F143 HydrophobicContact CD2-CZ 3.86Å; L140-F143 WeakPolarHBondContact O-CE2 3.48Å; F143-Q148 HydrophobicContact CD1-CB 4.46Å; F143-R149 HydrophobicContact CB-CG 3.41Å; F143-R149 VanDerWaalsContact CB-CG 3.41Å; F143-R149 HydrophobicContact CG-CG 4.36Å; F143-R149 VanDerWaalsContact O-CD 3.24Å; F143-R149 WeakPolarHBondContact O-CD 3.32Å; F143-R149 PolarHBondContact O-NE 3.42Å; F143-V152 HydrophobicContact CD1-CG2 4.22Å; F143-V152 HydrophobicContact CE1-CG2 3.76Å; F143-V152 HydrophobicContact CE2-CG1 4.45Å; F143-V152 HydrophobicContact CE2-CG2 4.09Å; F143-V152 HydrophobicContact CZ-CG2 3.7Å; F143-P170 PolarHBondContact N-O 3.11Å; F143-P170 VanDerWaalsContact N-O 3.07Å; F143-I172 HydrophobicContact CD2-CB 4.37Å; F143-I172 HydrophobicContact CD2-CD1 3.64Å; F143-I172 HydrophobicContact CD2-CG1 3.9Å; F143-I172 HydrophobicContact CE2-CB 4.44Å; F143-I172 HydrophobicContact CE2-CD1 4.05Å; F143-I172 HydrophobicContact CE2-CG1 4.39Å; F143-I172 HydrophobicContact CG-CD1 4.38Å
144	S	69.9	Low	75.4	Confident	113 Å²	113	70 Å²	70	79%	0.79	41%	0.406	S	S	*	.			trans	-74.8	-38.3	-178.7	51.7	0	0	0	0	112.2
145	D	77.8	Confident	77.1	Confident	71 Å²	71	64.7 Å²	64.7	38%	0.38	37%	0.368	S	S	.	.			trans	-75.5	134.9	-179.8	178.2	29.4	0	0	0	112.4	H147 Q148 R149	D145-H147 VanDerWaalsContact C-N 3.34Å; D145-H147 PolarHBondContact OD1-N 3.12Å; D145-H147 VanDerWaalsContact OD1-N 3.16Å; D145-H147 WeakPolarHBondContact OD2-CB 3.43Å; D145-H147 PolarHBondContact OD2-N 2.92Å; D145-Q148 HydrophobicContact CB-CB 4.16Å; D145-Q148 HydrophobicContact CB-CG 4.14Å; D145-Q148 WeakPolarHBondContact OD2-CG 3.34Å; D145-Q148 PolarHBondContact OD2-N 3.41Å; D145-R149 WeakPolarHBondContact O-CG 3.4Å; D145-R149 PolarHBondContact O-N 3.3Å; D145-R149 VanDerWaalsContact O-N 3.16Å; D145-R149 PolarHBondContact O-NE 2.92Å
146	K	77.8	Confident	78.3	Confident	165 Å²	165	60.9 Å²	60.9	72%	0.717	33%	0.329	S	S	*	.	H	α-helix	trans	-66.7	-35.1	177.4	-174.6	179.3	177.9	-178.9	0	111.6	A150	K146-A150 PolarHBondContact O-N 2.85Å; K146-A150 VanDerWaalsContact O-N 3.13Å
147	H	77.4	Confident	78.9	Confident	123 Å²	123	61.2 Å²	61.2	57%	0.569	32%	0.321	S	S	*	.	H	α-helix	trans	-73.3	-44.8	-178.5	-172.1	66.3	0	0	0	111.6	D145 R149 A150 N151	D145-H147 VanDerWaalsContact C-N 3.34Å; D145-H147 PolarHBondContact OD1-N 3.12Å; D145-H147 VanDerWaalsContact OD1-N 3.16Å; D145-H147 WeakPolarHBondContact OD2-CB 3.43Å; D145-H147 PolarHBondContact OD2-N 2.92Å; H147-R149 PolarHBondContact O-N 3.07Å; H147-A150 PolarHBondContact O-N 3.05Å; H147-N151 PolarHBondContact CD2-ND2 3.49Å; H147-N151 PolarHBondContact NE2-ND2 3.29Å; H147-N151 PolarHBondContact O-N 3.1Å
148	Q	76.5	Confident	78.9	Confident	103 Å²	103	63 Å²	63	48%	0.481	33%	0.329	S	S	.	.	H	α-helix	trans	-57.2	-44.8	172	-71.6	177.7	-8.1	0	0	112.6	F143 D145 A150 N151 V152	F143-Q148 HydrophobicContact CD1-CB 4.46Å; D145-Q148 HydrophobicContact CB-CB 4.16Å; D145-Q148 HydrophobicContact CB-CG 4.14Å; D145-Q148 WeakPolarHBondContact OD2-CG 3.34Å; D145-Q148 PolarHBondContact OD2-N 3.41Å; Q148-A150 PolarHBondContact O-N 3.26Å; Q148-N151 PolarHBondContact O-N 3Å; Q148-N151 VanDerWaalsContact O-N 3.16Å; Q148-V152 WeakPolarHBondContact O-CG2 3.43Å; Q148-V152 PolarHBondContact O-N 3.29Å
149	R	79.7	Confident	78.7	Confident	74 Å²	74	69 Å²	69	28%	0.279	35%	0.349	S	S	.	.	H	α-helix	trans	-57.3	-46.5	174.5	-76	-173	-73.6	162.3	-5.2	112.6	F143 D145 H147 N151 V152 H153 I172	F143-R149 HydrophobicContact CB-CG 3.41Å; F143-R149 VanDerWaalsContact CB-CG 3.41Å; F143-R149 HydrophobicContact CG-CG 4.36Å; F143-R149 VanDerWaalsContact O-CD 3.24Å; F143-R149 WeakPolarHBondContact O-CD 3.32Å; F143-R149 PolarHBondContact O-NE 3.42Å; D145-R149 WeakPolarHBondContact O-CG 3.4Å; D145-R149 PolarHBondContact O-N 3.3Å; D145-R149 VanDerWaalsContact O-N 3.16Å; D145-R149 PolarHBondContact O-NE 2.92Å; H147-R149 PolarHBondContact O-N 3.07Å; R149-N151 VanDerWaalsContact C-N 3.28Å; R149-N151 PolarHBondContact O-N 3.13Å; R149-V152 PolarHBondContact O-N 2.84Å; R149-H153 PolarHBondContact O-CD2 3.41Å; R149-H153 PolarHBondContact O-N 3.03Å; R149-I172 HydrophobicContact CB-CD1 4.19Å; R149-I172 HydrophobicContact CG-CD1 4Å; R149-I172 HydrophobicContact CG-CG1 4.5Å
150	A	76	Confident	78.6	Confident	52 Å²	52	67.9 Å²	67.9	43%	0.43	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-37.4	178.4	0	0	0	0	0	112.2	K146 H147 Q148 R154	K146-A150 PolarHBondContact O-N 2.85Å; K146-A150 VanDerWaalsContact O-N 3.13Å; H147-A150 PolarHBondContact O-N 3.05Å; Q148-A150 PolarHBondContact O-N 3.26Å; A150-R154 WeakPolarHBondContact O-CB 3.4Å; A150-R154 PolarHBondContact O-N 2.68Å
151	N	80.2	Confident	78.6	Confident	58 Å²	58	68.2 Å²	68.2	31%	0.31	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-42.1	176.9	-68.7	-18.5	0	0	0	112	H147 Q148 R149 R154 A155	H147-N151 PolarHBondContact CD2-ND2 3.49Å; H147-N151 PolarHBondContact NE2-ND2 3.29Å; H147-N151 PolarHBondContact O-N 3.1Å; Q148-N151 PolarHBondContact O-N 3Å; Q148-N151 VanDerWaalsContact O-N 3.16Å; R149-N151 VanDerWaalsContact C-N 3.28Å; R149-N151 PolarHBondContact O-N 3.13Å; N151-R154 PolarHBondContact O-N 3.1Å; N151-A155 WeakPolarHBondContact O-CB 3.45Å; N151-A155 PolarHBondContact O-N 3.32Å
152	V	80.5	Confident	78.5	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	33%	0.331	C	S	.	.	H	α-helix	trans	-60.6	-50	174	172.9	0	0	0	0	111	I112 L113 L140 F143 Q148 R149 R154 A155 V156 I172	I112-V152 HydrophobicContact CG2-CG2 3.68Å; L113-V152 HydrophobicContact CD2-CG1 3.84Å; L113-V152 HydrophobicContact CD2-CG2 4.06Å; L140-V152 HydrophobicContact CD1-CG1 3.93Å; F143-V152 HydrophobicContact CD1-CG2 4.22Å; F143-V152 HydrophobicContact CE1-CG2 3.76Å; F143-V152 HydrophobicContact CE2-CG1 4.45Å; F143-V152 HydrophobicContact CE2-CG2 4.09Å; F143-V152 HydrophobicContact CZ-CG2 3.7Å; Q148-V152 WeakPolarHBondContact O-CG2 3.43Å; Q148-V152 PolarHBondContact O-N 3.29Å; R149-V152 PolarHBondContact O-N 2.84Å; V152-R154 PolarHBondContact O-N 3.29Å; V152-A155 PolarHBondContact O-N 2.84Å; V152-V156 HydrophobicContact CG1-CG2 4.39Å; V152-V156 WeakPolarHBondContact O-CG2 3.43Å; V152-V156 PolarHBondContact O-N 3.2Å; V152-V156 VanDerWaalsContact O-N 3.09Å; V152-I172 HydrophobicContact CB-CD1 3.79Å; V152-I172 HydrophobicContact CG1-CD1 3.65Å; V152-I172 HydrophobicContact CG1-CG2 4.29Å; V152-I172 HydrophobicContact CG2-CD1 4.42Å
153	H	80.9	Confident	78.7	Confident	30 Å²	30	63.5 Å²	63.5	14%	0.139	30%	0.301	C	S	.	.	H	α-helix	trans	-55.2	-39.5	176.5	-79.4	-67.7	0	0	0	112	R149 R157 T165 T167	R149-H153 PolarHBondContact O-CD2 3.41Å; R149-H153 PolarHBondContact O-N 3.03Å; H153-R157 WeakPolarHBondContact O-CG 3.33Å; H153-R157 PolarHBondContact O-N 3.23Å; H153-T165 PolarHBondContact CE1-O 3.14Å; H153-T165 WeakPolarHBondContact ND1-CB 3.49Å; H153-T165 PolarHBondContact ND1-O 3.22Å; H153-T165 PolarHBondContact ND1-OG1 3.31Å; H153-T167 PolarHBondContact NE2-OG1 3.11Å
154	R	78.3	Confident	78.8	Confident	104 Å²	104	63.9 Å²	63.9	39%	0.392	31%	0.305	S	S	.	.	H	α-helix	trans	-76	-42	-178.8	-169.4	176.8	178.2	-167.6	-4.4	112.9	L101 F107 A150 N151 V152 H158	L101-R154 VanDerWaalsContact CD2-NH2 3.28Å; F107-R154 HydrophobicContact CE1-CB 4.15Å; F107-R154 HydrophobicContact CE1-CG 3.64Å; F107-R154 HydrophobicContact CZ-CG 4.02Å; A150-R154 WeakPolarHBondContact O-CB 3.4Å; A150-R154 PolarHBondContact O-N 2.68Å; N151-R154 PolarHBondContact O-N 3.1Å; V152-R154 PolarHBondContact O-N 3.29Å; R154-H158 VanDerWaalsContact O-CB 3.31Å; R154-H158 WeakPolarHBondContact O-CB 3.35Å; R154-H158 PolarHBondContact O-N 3.25Å
155	A	79.8	Confident	79.4	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-44.7	-179.7	0	0	0	0	0	111.8	F107 L109 I112 N151 V152 H158 R159	F107-A155 HydrophobicContact CD1-CB 3.88Å; L109-A155 HydrophobicContact CD2-CB 3.62Å; I112-A155 HydrophobicContact CD1-CB 3.74Å; N151-A155 WeakPolarHBondContact O-CB 3.45Å; N151-A155 PolarHBondContact O-N 3.32Å; V152-A155 PolarHBondContact O-N 2.84Å; A155-H158 PolarHBondContact O-N 3Å; A155-R159 PolarHBondContact O-N 3.41Å
156	V	81.2	Confident	79.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-46.1	179.1	176.3	0	0	0	0	111.1	L109 L121 L140 V152 H158 R159 F160 L163 T165 V174	L109-V156 HydrophobicContact CD2-CG2 4.16Å; L121-V156 HydrophobicContact CD2-CG2 4.24Å; L140-V156 HydrophobicContact CD1-CG2 3.73Å; V152-V156 HydrophobicContact CG1-CG2 4.39Å; V152-V156 WeakPolarHBondContact O-CG2 3.43Å; V152-V156 PolarHBondContact O-N 3.2Å; V152-V156 VanDerWaalsContact O-N 3.09Å; V156-H158 VanDerWaalsContact C-N 3.32Å; V156-H158 PolarHBondContact O-N 3.09Å; V156-R159 PolarHBondContact O-N 2.81Å; V156-F160 WeakPolarHBondContact O-CA 3.34Å; V156-F160 PolarHBondContact O-N 3.09Å; V156-L163 HydrophobicContact CG1-CB 4.33Å; V156-L163 HydrophobicContact CG1-CD1 4.43Å; V156-T165 HydrophobicContact CB-CG2 3.84Å; V156-T165 HydrophobicContact CG1-CG2 3.67Å; V156-T165 HydrophobicContact CG2-CG2 4.19Å; V156-V174 HydrophobicContact CG1-CG2 4.26Å
157	R	79.9	Confident	79.8	Confident	79 Å²	79	52.1 Å²	52.1	30%	0.298	24%	0.244	S	C	.	.	H	α-helix	trans	-66.4	-33.1	178.4	-72.6	-178	-167.7	151.1	8.4	113.4	H153 P161 D200	H153-R157 WeakPolarHBondContact O-CG 3.33Å; H153-R157 PolarHBondContact O-N 3.23Å; R157-P161 WeakPolarHBondContact O-CA 3.33Å; R157-D200 WeakPolarHBondContact CB-OD2 3.29Å; R157-D200 WeakPolarHBondContact CD-OD2 3.03Å
158	H	77.8	Confident	79.9	Confident	116 Å²	116	49.9 Å²	49.9	54%	0.537	24%	0.236	S	C	.	.	H	α-helix	trans	-68.4	-40.2	176.1	-175.2	-83.3	0	0	0	112.1	R154 A155 V156	R154-H158 VanDerWaalsContact O-CB 3.31Å; R154-H158 WeakPolarHBondContact O-CB 3.35Å; R154-H158 PolarHBondContact O-N 3.25Å; A155-H158 PolarHBondContact O-N 3Å; V156-H158 VanDerWaalsContact C-N 3.32Å; V156-H158 PolarHBondContact O-N 3.09Å
159	R	77.4	Confident	79.1	Confident	160 Å²	160	53.7 Å²	53.7	60%	0.604	25%	0.254	S	S	*	.	H	α-helix	trans	-81	-34.9	-179.9	-169.2	63	157.1	-174.7	-6.7	112.9	L109 A155 V156	L109-R159 HydrophobicContact CD1-CB 3.87Å; L109-R159 HydrophobicContact CD1-CG 3.81Å; A155-R159 PolarHBondContact O-N 3.41Å; V156-R159 PolarHBondContact O-N 2.81Å
160	F	81.1	Confident	78.6	Confident	22 Å²	22	54 Å²	54	10%	0.096	27%	0.265	C	S	.	.			trans	-136	83.4	-175.4	-54.8	-67.1	0	0	0	110.9	L109 L121 E122 V125 V156 F162 L163	L109-F160 HydrophobicContact CD1-CD2 4.48Å; L109-F160 HydrophobicContact CD1-CE2 3.9Å; L121-F160 HydrophobicContact CD2-CD2 4.28Å; L121-F160 HydrophobicContact CD2-CE2 4Å; L121-F160 HydrophobicContact CG-CD2 4.48Å; L121-F160 HydrophobicContact CG-CE2 4.08Å; E122-F160 HydrophobicContact CG-CZ 4.43Å; V125-F160 HydrophobicContact CB-CE1 4.29Å; V125-F160 HydrophobicContact CG1-CD1 4.13Å; V125-F160 HydrophobicContact CG1-CE1 3.93Å; V125-F160 HydrophobicContact CG2-CD1 3.84Å; V125-F160 HydrophobicContact CG2-CD2 4.32Å; V125-F160 HydrophobicContact CG2-CE1 3.85Å; V125-F160 HydrophobicContact CG2-CE2 4.32Å; V125-F160 HydrophobicContact CG2-CG 4.08Å; V125-F160 HydrophobicContact CG2-CZ 4.09Å; V156-F160 WeakPolarHBondContact O-CA 3.34Å; V156-F160 PolarHBondContact O-N 3.09Å; F160-F162 HydrophobicContact CB-CE1 3.98Å; F160-F162 HydrophobicContact CB-CZ 3.99Å; F160-F162 AromaticContact CD1-CE1 3.98Å; F160-F162 HydrophobicContact CD1-CE1 3.98Å; F160-F162 AromaticContact CD1-CZ 3.81Å; F160-F162 HydrophobicContact CD1-CZ 3.81Å; F160-F162 HydrophobicContact CG-CE1 4.47Å; F160-F162 HydrophobicContact CG-CZ 4.27Å; F160-F162 PolarHBondContact O-N 2.96Å; F160-F162 VanDerWaalsContact O-N 3.11Å; F160-L163 HydrophobicContact CB-CB 4.19Å; F160-L163 HydrophobicContact CB-CD1 3.57Å; F160-L163 HydrophobicContact CB-CG 3.84Å; F160-L163 HydrophobicContact CD2-CD1 4.08Å; F160-L163 HydrophobicContact CG-CD1 3.94Å; F160-L163 PolarHBondContact O-N 3.42Å
161	P	79.4	Confident	78.8	Confident	11 Å²	11	54 Å²	54	7%	0.071	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.5	-176.8	-25.4	35.4	0	0	0	115.2	R157 L163 F196 R197	R157-P161 WeakPolarHBondContact O-CA 3.33Å; P161-L163 VanDerWaalsContact C-N 3.28Å; P161-F196 HydrophobicContact CB-CB 3.97Å; P161-R197 HydrophobicContact CG-CG 3.84Å
162	F	78.3	Confident	79	Confident	18 Å²	18	51.3 Å²	51.3	8%	0.079	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.3	177.9	60	-90.4	0	0	0	113.8	V125 F160 D177 Y180	V125-F162 HydrophobicContact CB-CZ 4.42Å; V125-F162 HydrophobicContact CG1-CE2 4.26Å; V125-F162 HydrophobicContact CG1-CZ 3.63Å; V125-F162 HydrophobicContact CG2-CE2 4.2Å; V125-F162 HydrophobicContact CG2-CZ 4Å; F160-F162 HydrophobicContact CB-CE1 3.98Å; F160-F162 HydrophobicContact CB-CZ 3.99Å; F160-F162 AromaticContact CD1-CE1 3.98Å; F160-F162 HydrophobicContact CD1-CE1 3.98Å; F160-F162 AromaticContact CD1-CZ 3.81Å; F160-F162 HydrophobicContact CD1-CZ 3.81Å; F160-F162 HydrophobicContact CG-CE1 4.47Å; F160-F162 HydrophobicContact CG-CZ 4.27Å; F160-F162 PolarHBondContact O-N 2.96Å; F160-F162 VanDerWaalsContact O-N 3.11Å; F162-D177 PolarHBondContact O-N 2.92Å; F162-Y180 HydrophobicContact CB-CD1 3.32Å; F162-Y180 HydrophobicContact CB-CD2 3.98Å; F162-Y180 HydrophobicContact CB-CE1 3.33Å; F162-Y180 HydrophobicContact CB-CE2 3.97Å; F162-Y180 HydrophobicContact CB-CG 3.68Å; F162-Y180 HydrophobicContact CG-CE1 4.44Å
163	L	83.3	Confident	79.2	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.5	-179.9	-66.9	-177	0	0	0	112	L121 F124 V125 L128 V156 F160 P161 V174 R175	L121-L163 HydrophobicContact CD1-CD1 3.99Å; F124-L163 HydrophobicContact CE1-CD2 4.31Å; V125-L163 HydrophobicContact CG2-CD1 3.73Å; L128-L163 HydrophobicContact CD1-CD2 3.69Å; V156-L163 HydrophobicContact CG1-CB 4.33Å; V156-L163 HydrophobicContact CG1-CD1 4.43Å; F160-L163 HydrophobicContact CB-CB 4.19Å; F160-L163 HydrophobicContact CB-CD1 3.57Å; F160-L163 HydrophobicContact CB-CG 3.84Å; F160-L163 HydrophobicContact CD2-CD1 4.08Å; F160-L163 HydrophobicContact CG-CD1 3.94Å; F160-L163 PolarHBondContact O-N 3.42Å; P161-L163 VanDerWaalsContact C-N 3.28Å; L163-V174 HydrophobicContact CB-CG1 4.07Å; L163-V174 HydrophobicContact CD1-CG1 3.73Å; L163-V174 HydrophobicContact CD2-CG1 3.93Å; L163-V174 HydrophobicContact CG-CG1 4.14Å; L163-R175 WeakPolarHBondContact CA-O 3.39Å
164	L	81.4	Confident	79.4	Confident	38 Å²	38	53.9 Å²	53.9	20%	0.199	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.3	172.2	-178.6	65.6	0	0	0	110.3	V166 V174 R175 D177	L164-V166 HydrophobicContact CD2-CG2 4.25Å; L164-V166 HydrophobicContact CG-CG2 4.16Å; L164-V174 WeakPolarHBondContact O-CA 3.49Å; L164-R175 HydrophobicContact CB-CG 4.36Å; L164-R175 PolarHBondContact N-O 3.24Å; L164-R175 PolarHBondContact O-N 2.81Å; L164-D177 HydrophobicContact CB-CB 3.94Å
165	T	83.6	Confident	79.7	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.6	172.7	42.1	0	0	0	0	111.1	L140 H153 V156 I172 R173 V174	L140-T165 HydrophobicContact CD1-CG2 4.37Å; H153-T165 PolarHBondContact CE1-O 3.14Å; H153-T165 WeakPolarHBondContact ND1-CB 3.49Å; H153-T165 PolarHBondContact ND1-O 3.22Å; H153-T165 PolarHBondContact ND1-OG1 3.31Å; V156-T165 HydrophobicContact CB-CG2 3.84Å; V156-T165 HydrophobicContact CG1-CG2 3.67Å; V156-T165 HydrophobicContact CG2-CG2 4.19Å; T165-I172 HydrophobicContact CG2-CG2 4.31Å; T165-R173 CarbonylContact C-O 3.5Å; T165-R173 VanDerWaalsContact CA-O 3.29Å; T165-R173 WeakPolarHBondContact CA-O 3.48Å; T165-V174 HydrophobicContact CG2-CG2 3.59Å
166	V	80.9	Confident	79.7	Confident	44 Å²	44	56.6 Å²	56.6	27%	0.267	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.8	179.9	-173.9	0	0	0	0	109.6	L164 I168 R173	L164-V166 HydrophobicContact CD2-CG2 4.25Å; L164-V166 HydrophobicContact CG-CG2 4.16Å; V166-I168 HydrophobicContact CG1-CD1 4.34Å; V166-I168 HydrophobicContact CG1-CG1 3.95Å; V166-R173 PolarHBondContact N-O 3.48Å; V166-R173 PolarHBondContact O-N 3.26Å
167	T	81.9	Confident	79.7	Confident	53 Å²	53	57.5 Å²	57.5	33%	0.325	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.9	171.7	-57.4	0	0	0	0	109.9	H153 E171	H153-T167 PolarHBondContact NE2-OG1 3.11Å; T167-E171 CarbonylContact C-O 3.55Å; T167-E171 WeakPolarHBondContact CA-O 3.29Å
168	I	79.4	Confident	79.7	Confident	77 Å²	77	57 Å²	57	40%	0.395	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	109.9	173.5	-56.1	177.2	0	0	0	107	V166 E171	V166-I168 HydrophobicContact CG1-CD1 4.34Å; V166-I168 HydrophobicContact CG1-CG1 3.95Å; I168-E171 PolarHBondContact N-O 3.43Å; I168-E171 WeakPolarHBondContact O-CB 3.32Å; I168-E171 PolarHBondContact O-N 3.07Å; I168-E171 VanDerWaalsContact O-N 3.13Å
169	Q	59.9	Low	79.9	Confident	183 Å²	183	52.5 Å²	52.5	86%	0.855	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	32.6	113.6	175.6	-70.4	-178.2	-19	0	0	116.9	E171	Q169-E171 PolarHBondContact O-N 2.94Å
170	P	68.9	Low	80.2	Confident	80 Å²	80	45.7 Å²	45.7	52%	0.519	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn		-40.1	21.5	-103.5	34.8	-40.8	0	0	0	118.7	S142 F143	S142-P170 WeakPolarHBondContact CA-O 3.3Å; F143-P170 PolarHBondContact N-O 3.11Å; F143-P170 VanDerWaalsContact N-O 3.07Å
171	E	80.7	Confident	80.2	Confident	53 Å²	53	49 Å²	49	25%	0.248	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.8	-178.6	-169.2	177.1	-136.1	0	0	112.2	S139 G141 T167 I168 Q169 R173	S139-E171 VanDerWaalsContact CB-OE1 3.23Å; S139-E171 WeakPolarHBondContact CB-OE1 3.1Å; S139-E171 WeakPolarHBondContact OG-CG 3.27Å; S139-E171 PolarHBondContact OG-OE1 2.84Å; G141-E171 WeakPolarHBondContact O-CA 3.39Å; T167-E171 CarbonylContact C-O 3.55Å; T167-E171 WeakPolarHBondContact CA-O 3.29Å; I168-E171 PolarHBondContact N-O 3.43Å; I168-E171 WeakPolarHBondContact O-CB 3.32Å; I168-E171 PolarHBondContact O-N 3.07Å; I168-E171 VanDerWaalsContact O-N 3.13Å; Q169-E171 PolarHBondContact O-N 2.94Å; E171-R173 HydrophobicContact CG-CG 4.38Å; E171-R173 IonicContact OE2-CZ 3.91Å; E171-R173 IonicContact OE2-NE 3.99Å; E171-R173 PolarHBondContact OE2-NE 3.48Å; E171-R173 IonicContact OE2-NH2 3.26Å; E171-R173 PolarHBondContact OE2-NH2 3.05Å
172	I	84.2	Confident	80.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.6	168.2	-64.1	-179.6	0	0	0	108.5	L140 G141 F143 R149 V152 T165	L140-I172 HydrophobicContact CB-CB 4.36Å; L140-I172 HydrophobicContact CB-CG2 4.34Å; L140-I172 HydrophobicContact CD1-CG2 4.05Å; L140-I172 PolarHBondContact N-O 2.91Å; G141-I172 PolarHBondContact O-N 2.87Å; F143-I172 HydrophobicContact CD2-CB 4.37Å; F143-I172 HydrophobicContact CD2-CD1 3.64Å; F143-I172 HydrophobicContact CD2-CG1 3.9Å; F143-I172 HydrophobicContact CE2-CB 4.44Å; F143-I172 HydrophobicContact CE2-CD1 4.05Å; F143-I172 HydrophobicContact CE2-CG1 4.39Å; F143-I172 HydrophobicContact CG-CD1 4.38Å; R149-I172 HydrophobicContact CB-CD1 4.19Å; R149-I172 HydrophobicContact CG-CD1 4Å; R149-I172 HydrophobicContact CG-CG1 4.5Å; V152-I172 HydrophobicContact CB-CD1 3.79Å; V152-I172 HydrophobicContact CG1-CD1 3.65Å; V152-I172 HydrophobicContact CG1-CG2 4.29Å; V152-I172 HydrophobicContact CG2-CD1 4.42Å; T165-I172 HydrophobicContact CG2-CG2 4.31Å
173	R	84.7	Confident	80.7	Confident	85 Å²	85	50.6 Å²	50.6	32%	0.321	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.2	173.7	-62.5	-173.3	-176.6	-174.7	-3	111.8	E137 L138 T165 V166 E171	E137-R173 HydrophobicContact CB-CB 4.42Å; E137-R173 VanDerWaalsContact OE2-CD 3.28Å; E137-R173 WeakPolarHBondContact OE2-CD 3.32Å; E137-R173 IonicContact OE2-NH1 3.48Å; E137-R173 PolarHBondContact OE2-NH1 2.81Å; L138-R173 CarbonylContact O-C 3.58Å; L138-R173 VanDerWaalsContact O-CA 3.24Å; L138-R173 WeakPolarHBondContact O-CA 3.49Å; T165-R173 CarbonylContact C-O 3.5Å; T165-R173 VanDerWaalsContact CA-O 3.29Å; T165-R173 WeakPolarHBondContact CA-O 3.48Å; V166-R173 PolarHBondContact N-O 3.48Å; V166-R173 PolarHBondContact O-N 3.26Å; E171-R173 HydrophobicContact CG-CG 4.38Å; E171-R173 IonicContact OE2-CZ 3.91Å; E171-R173 IonicContact OE2-NE 3.99Å; E171-R173 PolarHBondContact OE2-NE 3.48Å; E171-R173 IonicContact OE2-NH2 3.26Å; E171-R173 PolarHBondContact OE2-NH2 3.05Å
174	V	85.8	Confident	80.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.8	178.8	169.8	0	0	0	0	109.4	L121 F124 E137 L138 L140 V156 L163 L164 T165	L121-V174 HydrophobicContact CD1-CG1 4.12Å; L121-V174 HydrophobicContact CD1-CG2 4.46Å; F124-V174 HydrophobicContact CD1-CG1 4.44Å; F124-V174 HydrophobicContact CE1-CG1 4.01Å; E137-V174 WeakPolarHBondContact CA-O 3.38Å; L138-V174 HydrophobicContact CB-CB 4.49Å; L138-V174 PolarHBondContact N-O 3.42Å; L138-V174 PolarHBondContact O-N 3.23Å; L140-V174 HydrophobicContact CD1-CG2 3.3Å; L140-V174 HydrophobicContact CD2-CG2 3.99Å; L140-V174 HydrophobicContact CG-CG2 3.54Å; V156-V174 HydrophobicContact CG1-CG2 4.26Å; L163-V174 HydrophobicContact CB-CG1 4.07Å; L163-V174 HydrophobicContact CD1-CG1 3.73Å; L163-V174 HydrophobicContact CD2-CG1 3.93Å; L163-V174 HydrophobicContact CG-CG1 4.14Å; L164-V174 WeakPolarHBondContact O-CA 3.49Å; T165-V174 HydrophobicContact CG2-CG2 3.59Å
175	R	83.7	Confident	80.9	Confident	100 Å²	100	58.3 Å²	58.3	38%	0.377	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	166.9	172.4	63.7	-174.1	-171.8	176.8	6	110.6	E137 L163 L164 D177	E137-R175 HydrophobicContact CG-CB 4.32Å; E137-R175 IonicContact OE1-NH1 2.67Å; L163-R175 WeakPolarHBondContact CA-O 3.39Å; L164-R175 HydrophobicContact CB-CG 4.36Å; L164-R175 PolarHBondContact N-O 3.24Å; L164-R175 PolarHBondContact O-N 2.81Å; R175-D177 PolarHBondContact O-N 2.98Å
176	E	80.9	Confident	80.9	Confident	63 Å²	63	60.3 Å²	60.3	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	132.8	171.8	-171.3	-175.9	-153.5	0	0	110.1	P178 R181	E176-P178 VanDerWaalsContact O-CD 3.29Å; E176-P178 WeakPolarHBondContact O-CD 3.23Å; E176-R181 IonicContact OE1-NE 3.81Å; E176-R181 WeakPolarHBondContact OE2-CD 3.43Å; E176-R181 IonicContact OE2-CZ 2.64Å; E176-R181 IonicContact OE2-NE 3.75Å; E176-R181 IonicContact OE2-NH1 3.37Å; E176-R181 PolarHBondContact OE2-NH1 3.2Å
177	D	81.3	Confident	81.1	Confident	18 Å²	18	59.2 Å²	59.2	10%	0.096	28%	0.283	C	S	.	.			trans	-74	114.2	175.3	-169.8	-28.8	0	0	0	109.6	F162 L164 R175 D179 Y180 R181	F162-D177 PolarHBondContact O-N 2.92Å; L164-D177 HydrophobicContact CB-CB 3.94Å; R175-D177 PolarHBondContact O-N 2.98Å; D177-D179 PolarHBondContact O-N 2.97Å; D177-D179 WeakPolarHBondContact OD1-CB 3.43Å; D177-D179 PolarHBondContact OD1-N 3.43Å; D177-Y180 PolarHBondContact O-N 3.14Å; D177-Y180 PolarHBondContact OD1-N 3.34Å; D177-R181 PolarHBondContact O-N 3.02Å
178	P	80.1	Confident	81.3	Confident	68 Å²	68	65.3 Å²	65.3	44%	0.442	30%	0.3	S	S	.	.	H	α-helix	trans	-62.7	-27.8	180	26.9	-35	0	0	0	112.6	E176 E182	E176-P178 VanDerWaalsContact O-CD 3.29Å; E176-P178 WeakPolarHBondContact O-CD 3.23Å; P178-E182 PolarHBondContact O-N 2.86Å
179	D	81.6	Confident	81.3	Confident	22 Å²	22	68.1 Å²	68.1	12%	0.118	31%	0.312	C	S	.	.	H	α-helix	trans	-76.7	-37.8	179.3	-63.6	-15.6	0	0	0	110.7	D177 R181 E182 L183 F196 F225 R229 F230	D177-D179 PolarHBondContact O-N 2.97Å; D177-D179 WeakPolarHBondContact OD1-CB 3.43Å; D177-D179 PolarHBondContact OD1-N 3.43Å; D179-R181 VanDerWaalsContact C-N 3.33Å; D179-E182 PolarHBondContact O-N 3.46Å; D179-L183 WeakPolarHBondContact O-CB 3.26Å; D179-L183 PolarHBondContact O-N 3.35Å; D179-F196 HydrophobicContact CB-CZ 4.1Å; D179-F225 HydrophobicContact CB-CZ 4.36Å; D179-F225 VanDerWaalsContact O-CZ 3.26Å; D179-F225 WeakPolarHBondContact O-CZ 3.41Å; D179-R229 IonicContact OD1-CZ 2.94Å; D179-R229 IonicContact OD1-NE 3.65Å; D179-R229 PolarHBondContact OD1-NE 2.86Å; D179-R229 IonicContact OD1-NH2 3.56Å; D179-R229 PolarHBondContact OD1-NH2 3.32Å; D179-R229 IonicContact OD2-CZ 2.62Å; D179-R229 VanDerWaalsContact OD2-CZ 3.24Å; D179-R229 IonicContact OD2-NE 3.97Å; D179-R229 PolarHBondContact OD2-NE 3.39Å; D179-R229 IonicContact OD2-NH2 3.26Å; D179-R229 PolarHBondContact OD2-NH2 3.38Å; D179-F230 HydrophobicContact CB-CZ 4.34Å
180	Y	83.2	Confident	82.4	Confident	17 Å²	17	66.1 Å²	66.1	7%	0.067	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-45.5	171	179.7	-87	0	0	0	110.7	F162 D177 E182 L183 A184 A192 E193 F196	F162-Y180 HydrophobicContact CB-CD1 3.32Å; F162-Y180 HydrophobicContact CB-CD2 3.98Å; F162-Y180 HydrophobicContact CB-CE1 3.33Å; F162-Y180 HydrophobicContact CB-CE2 3.97Å; F162-Y180 HydrophobicContact CB-CG 3.68Å; F162-Y180 HydrophobicContact CG-CE1 4.44Å; D177-Y180 PolarHBondContact O-N 3.14Å; D177-Y180 PolarHBondContact OD1-N 3.34Å; Y180-E182 VanDerWaalsContact C-N 3.35Å; Y180-E182 PolarHBondContact O-N 2.95Å; Y180-L183 PolarHBondContact O-N 2.97Å; Y180-A184 HydrophobicContact CD1-CB 4.46Å; Y180-A184 HydrophobicContact CE1-CB 4.14Å; Y180-A184 VanDerWaalsContact O-CB 3.32Å; Y180-A184 WeakPolarHBondContact O-CB 3.07Å; Y180-A184 PolarHBondContact O-N 3.47Å; Y180-A192 HydrophobicContact CD2-CB 4.34Å; Y180-A192 HydrophobicContact CE2-CB 3.84Å; Y180-E193 HydrophobicContact CE2-CG 3.93Å; Y180-E193 WeakPolarHBondContact OH-CG 3.44Å; Y180-F196 AromaticContact CD2-CD2 3.8Å; Y180-F196 HydrophobicContact CD2-CD2 3.8Å; Y180-F196 HydrophobicContact CD2-CE2 4.03Å; Y180-F196 HydrophobicContact CD2-CG 4.26Å
181	R	82.2	Confident	83.1	Confident	93 Å²	93	64 Å²	64	35%	0.351	29%	0.285	S	S	.	.	H	α-helix	trans	-64	-36.8	179.7	-172.7	177.3	-174.7	173.4	-7.4	113.3	E176 D177 D179 R185	E176-R181 IonicContact OE1-NE 3.81Å; E176-R181 WeakPolarHBondContact OE2-CD 3.43Å; E176-R181 IonicContact OE2-CZ 2.64Å; E176-R181 IonicContact OE2-NE 3.75Å; E176-R181 IonicContact OE2-NH1 3.37Å; E176-R181 PolarHBondContact OE2-NH1 3.2Å; D177-R181 PolarHBondContact O-N 3.02Å; D179-R181 VanDerWaalsContact C-N 3.33Å; R181-R185 WeakPolarHBondContact O-CG 3.27Å
182	E	81.9	Confident	83.3	Confident	61 Å²	61	61.4 Å²	61.4	29%	0.285	27%	0.273	S	S	.	.	H	α-helix	trans	-70.9	-39	175.5	-168.4	175.7	-175.4	0	0	111	P178 D179 Y180 R185 F225 R228	P178-E182 PolarHBondContact O-N 2.86Å; D179-E182 PolarHBondContact O-N 3.46Å; Y180-E182 VanDerWaalsContact C-N 3.35Å; Y180-E182 PolarHBondContact O-N 2.95Å; E182-R185 PolarHBondContact O-N 2.97Å; E182-F225 HydrophobicContact CB-CD2 4.3Å; E182-F225 HydrophobicContact CB-CE2 3.59Å; E182-F225 HydrophobicContact CB-CZ 4.23Å; E182-F225 VanDerWaalsContact CD-CE2 3.48Å; E182-F225 HydrophobicContact CG-CD2 3.73Å; E182-F225 HydrophobicContact CG-CE2 3.52Å; E182-F225 WeakPolarHBondContact OE2-CE2 3.43Å; E182-R228 VanDerWaalsContact CD-NH2 3.31Å; E182-R228 IonicContact OE1-CZ 3.19Å; E182-R228 IonicContact OE1-NH1 3.55Å; E182-R228 IonicContact OE1-NH2 3.59Å; E182-R228 PolarHBondContact OE1-NH2 3.43Å; E182-R228 IonicContact OE2-NH2 2.72Å; E182-R228 PolarHBondContact OE2-NH2 3.16Å
183	L	85.4	Confident	83.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-67.8	-43.4	175.5	-173.7	57.9	0	0	0	112.5	D179 Y180 R185 L186 V187 A192 F195 F196 F225	D179-L183 WeakPolarHBondContact O-CB 3.26Å; D179-L183 PolarHBondContact O-N 3.35Å; Y180-L183 PolarHBondContact O-N 2.97Å; L183-R185 PolarHBondContact O-N 3.16Å; L183-R185 VanDerWaalsContact O-N 3.11Å; L183-L186 CarbonylContact O-C 3.59Å; L183-L186 WeakPolarHBondContact O-CA 3.48Å; L183-L186 PolarHBondContact O-N 3.41Å; L183-V187 HydrophobicContact CD1-CG1 4.28Å; L183-V187 HydrophobicContact CD1-CG2 3.82Å; L183-V187 HydrophobicContact CG-CG2 3.74Å; L183-V187 WeakPolarHBondContact O-CG2 3.28Å; L183-V187 PolarHBondContact O-N 3.39Å; L183-A192 HydrophobicContact CD2-CB 4.13Å; L183-A192 HydrophobicContact CG-CB 4.1Å; L183-F195 HydrophobicContact CD2-CB 4.3Å; L183-F195 HydrophobicContact CD2-CD1 3.51Å; L183-F195 HydrophobicContact CD2-CE1 4.16Å; L183-F195 HydrophobicContact CD2-CG 4.1Å; L183-F196 HydrophobicContact CB-CE2 4.47Å; L183-F196 HydrophobicContact CD2-CD2 4.15Å; L183-F196 HydrophobicContact CD2-CE2 3.76Å; L183-F225 HydrophobicContact CB-CD1 4.37Å; L183-F225 HydrophobicContact CB-CE1 3.63Å; L183-F225 HydrophobicContact CB-CZ 3.98Å; L183-F225 HydrophobicContact CD1-CD1 3.81Å; L183-F225 HydrophobicContact CD1-CE1 3.82Å; L183-F225 HydrophobicContact CD2-CE1 4.38Å; L183-F225 HydrophobicContact CG-CE1 4.12Å
184	A	83.8	Confident	83.2	Confident	26 Å²	26	62.6 Å²	62.6	22%	0.215	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.6	178.5	0	0	0	0	0	113.8	Y180 V187 A192	Y180-A184 HydrophobicContact CD1-CB 4.46Å; Y180-A184 HydrophobicContact CE1-CB 4.14Å; Y180-A184 VanDerWaalsContact O-CB 3.32Å; Y180-A184 WeakPolarHBondContact O-CB 3.07Å; Y180-A184 PolarHBondContact O-N 3.47Å; A184-V187 CarbonylContact C-O 3.58Å; A184-V187 VanDerWaalsContact O-O 3.12Å; A184-A192 HydrophobicContact CB-CB 4.39Å
185	R	85.1	Confident	83.1	Confident	176 Å²	176	62.6 Å²	62.6	66%	0.664	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-19.7	168.8	-70.9	175.2	-174.9	150.7	1.7	113.3	R181 E182 L183	R181-R185 WeakPolarHBondContact O-CG 3.27Å; E182-R185 PolarHBondContact O-N 2.97Å; L183-R185 PolarHBondContact O-N 3.16Å; L183-R185 VanDerWaalsContact O-N 3.11Å
186	L	82.5	Confident	83.1	Confident	48 Å²	48	58.4 Å²	58.4	25%	0.251	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-23.9	-176.5	-63.7	175.1	0	0	0	112.7	L183 H218 A221 V222 F225	L183-L186 CarbonylContact O-C 3.59Å; L183-L186 WeakPolarHBondContact O-CA 3.48Å; L183-L186 PolarHBondContact O-N 3.41Å; L186-H218 PolarHBondContact O-CE1 3.07Å; L186-H218 PolarHBondContact O-NE2 2.94Å; L186-A221 HydrophobicContact CD2-CB 4.48Å; L186-V222 HydrophobicContact CB-CG2 4.26Å; L186-F225 HydrophobicContact CD1-CB 3.79Å; L186-F225 HydrophobicContact CD1-CD2 4.41Å; L186-F225 HydrophobicContact CD1-CG 4.01Å
187	V	86.5	Confident	83.2	Confident	20 Å²	20	60.8 Å²	60.8	12%	0.121	28%	0.276	C	S	.	.	S	Bend	trans	-134.6	170.7	178.1	-60	0	0	0	0	109.9	L183 A184 E191 A192 F210 V222	L183-V187 HydrophobicContact CD1-CG1 4.28Å; L183-V187 HydrophobicContact CD1-CG2 3.82Å; L183-V187 HydrophobicContact CG-CG2 3.74Å; L183-V187 WeakPolarHBondContact O-CG2 3.28Å; L183-V187 PolarHBondContact O-N 3.39Å; A184-V187 CarbonylContact C-O 3.58Å; A184-V187 VanDerWaalsContact O-O 3.12Å; V187-E191 HydrophobicContact CB-CB 4.19Å; V187-E191 HydrophobicContact CG2-CB 4.13Å; V187-A192 HydrophobicContact CG2-CB 4Å; V187-F210 HydrophobicContact CB-CD1 4.48Å; V187-F210 HydrophobicContact CB-CE1 4.46Å; V187-F210 HydrophobicContact CG1-CD1 3.99Å; V187-F210 HydrophobicContact CG1-CE1 4.02Å; V187-F210 HydrophobicContact CG2-CE1 4.2Å; V187-V222 HydrophobicContact CG1-CG1 4.43Å; V187-V222 HydrophobicContact CG1-CG2 4.02Å
188	R	84.9	Confident	83.3	Confident	181 Å²	181	61 Å²	61	68%	0.683	28%	0.276	S	S	*	.			trans	-63.2	148.4	175.6	-56.9	178.6	-166.5	-176.4	3.8	109.8	E190 E191 A192	R188-E190 PolarHBondContact O-N 3.31Å; R188-E191 HydrophobicContact CB-CB 4.47Å; R188-E191 HydrophobicContact CB-CG 4.13Å; R188-E191 PolarHBondContact N-OE2 2.78Å; R188-E191 VanDerWaalsContact N-OE2 3.13Å; R188-E191 WeakPolarHBondContact O-CB 3.46Å; R188-E191 PolarHBondContact O-N 3.04Å; R188-A192 PolarHBondContact O-N 3.06Å
189	E	80.7	Confident	83.4	Confident	137 Å²	137	58.3 Å²	58.3	64%	0.64	26%	0.258	S	S	*	.	H	α-helix	trans	-54.8	-41.7	179.3	-69.7	-175.1	170.3	0	0	111.6	E191 A192 E193	E189-E191 VanDerWaalsContact C-N 3.31Å; E189-E191 PolarHBondContact O-N 2.81Å; E189-A192 PolarHBondContact O-N 2.97Å; E189-A192 VanDerWaalsContact O-N 3.16Å; E189-E193 WeakPolarHBondContact O-CG 3.41Å; E189-E193 PolarHBondContact O-N 3.47Å
190	E	81.8	Confident	83.2	Confident	141 Å²	141	60.1 Å²	60.1	66%	0.659	27%	0.267	S	S	*	.	H	α-helix	trans	-57.1	-42.1	174.7	-61.5	177	179	0	0	112.5	R188 A192 E193 D194	R188-E190 PolarHBondContact O-N 3.31Å; E190-A192 VanDerWaalsContact C-N 3.35Å; E190-E193 PolarHBondContact O-N 2.78Å; E190-D194 WeakPolarHBondContact O-CB 3.36Å; E190-D194 VanDerWaalsContact O-CG 3.3Å; E190-D194 PolarHBondContact O-N 2.78Å
191	E	84.3	Confident	82.9	Confident	34 Å²	34	61.9 Å²	61.9	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-72	-30.5	-179.6	-65.4	178.5	125.7	0	0	112.3	V187 R188 E189 F195 Y208 F210 G211	V187-E191 HydrophobicContact CB-CB 4.19Å; V187-E191 HydrophobicContact CG2-CB 4.13Å; R188-E191 HydrophobicContact CB-CB 4.47Å; R188-E191 HydrophobicContact CB-CG 4.13Å; R188-E191 PolarHBondContact N-OE2 2.78Å; R188-E191 VanDerWaalsContact N-OE2 3.13Å; R188-E191 WeakPolarHBondContact O-CB 3.46Å; R188-E191 PolarHBondContact O-N 3.04Å; E189-E191 VanDerWaalsContact C-N 3.31Å; E189-E191 PolarHBondContact O-N 2.81Å; E191-F195 VanDerWaalsContact O-CB 3.3Å; E191-F195 WeakPolarHBondContact O-CB 3.24Å; E191-F195 PolarHBondContact O-N 2.93Å; E191-F195 VanDerWaalsContact O-N 3.09Å; E191-Y208 VanDerWaalsContact CA-OH 3.27Å; E191-Y208 WeakPolarHBondContact CA-OH 3.42Å; E191-Y208 PolarHBondContact O-OH 2.89Å; E191-F210 HydrophobicContact CB-CD1 4.1Å; E191-F210 HydrophobicContact CB-CE1 4.38Å; E191-G211 WeakPolarHBondContact OE1-CA 3.36Å; E191-G211 PolarHBondContact OE1-N 3.22Å
192	A	84.6	Confident	82.6	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-70.8	-45.6	172.8	0	0	0	0	0	110.7	Y180 L183 A184 V187 R188 E189 E190 D194 F195 F196	Y180-A192 HydrophobicContact CD2-CB 4.34Å; Y180-A192 HydrophobicContact CE2-CB 3.84Å; L183-A192 HydrophobicContact CD2-CB 4.13Å; L183-A192 HydrophobicContact CG-CB 4.1Å; A184-A192 HydrophobicContact CB-CB 4.39Å; V187-A192 HydrophobicContact CG2-CB 4Å; R188-A192 PolarHBondContact O-N 3.06Å; E189-A192 PolarHBondContact O-N 2.97Å; E189-A192 VanDerWaalsContact O-N 3.16Å; E190-A192 VanDerWaalsContact C-N 3.35Å; A192-D194 VanDerWaalsContact C-N 3.34Å; A192-D194 PolarHBondContact O-N 3.46Å; A192-F195 PolarHBondContact O-N 2.8Å; A192-F196 WeakPolarHBondContact O-CD2 3.42Å; A192-F196 PolarHBondContact O-N 2.87Å
193	E	82.6	Confident	82.3	Confident	43 Å²	43	64 Å²	64	20%	0.201	30%	0.302	C	S	.	.	H	α-helix	trans	-59.8	-44.3	176.1	-68.9	-172.7	168.3	0	0	111.8	R129 Y180 E189 E190 F196 R197	R129-E193 IonicContact NH2-OE1 3.77Å; Y180-E193 HydrophobicContact CE2-CG 3.93Å; Y180-E193 WeakPolarHBondContact OH-CG 3.44Å; E189-E193 WeakPolarHBondContact O-CG 3.41Å; E189-E193 PolarHBondContact O-N 3.47Å; E190-E193 PolarHBondContact O-N 2.78Å; E193-F196 PolarHBondContact O-N 3.3Å; E193-R197 WeakPolarHBondContact O-CB 3.41Å; E193-R197 WeakPolarHBondContact O-CG 3.31Å; E193-R197 PolarHBondContact O-N 3.18Å; E193-R197 PolarHBondContact O-NE 2.99Å; E193-R197 IonicContact OE2-NH2 2.63Å
194	D	83.3	Confident	81.7	Confident	66 Å²	66	74.3 Å²	74.3	35%	0.353	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-39.8	178.3	-75.4	-11.3	0	0	0	112.4	E190 A192 R197 F198 Y208	E190-D194 WeakPolarHBondContact O-CB 3.36Å; E190-D194 VanDerWaalsContact O-CG 3.3Å; E190-D194 PolarHBondContact O-N 2.78Å; A192-D194 VanDerWaalsContact C-N 3.34Å; A192-D194 PolarHBondContact O-N 3.46Å; D194-R197 PolarHBondContact O-N 2.76Å; D194-R197 IonicContact OD1-CZ 3.17Å; D194-R197 IonicContact OD1-NE 3.46Å; D194-R197 PolarHBondContact OD1-NE 2.92Å; D194-R197 IonicContact OD1-NH2 2.84Å; D194-R197 PolarHBondContact OD1-NH2 2.99Å; D194-F198 WeakPolarHBondContact O-CB 3.33Å; D194-F198 PolarHBondContact O-N 2.82Å; D194-Y208 HydrophobicContact CB-CE2 3.57Å; D194-Y208 WeakPolarHBondContact CB-OH 3.1Å
195	F	85.4	Confident	81	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-46.9	175.7	173.1	-99.6	0	0	0	112.1	L183 E191 A192 F198 I199 Y208 F210 L226 F230 V249	L183-F195 HydrophobicContact CD2-CB 4.3Å; L183-F195 HydrophobicContact CD2-CD1 3.51Å; L183-F195 HydrophobicContact CD2-CE1 4.16Å; L183-F195 HydrophobicContact CD2-CG 4.1Å; E191-F195 VanDerWaalsContact O-CB 3.3Å; E191-F195 WeakPolarHBondContact O-CB 3.24Å; E191-F195 PolarHBondContact O-N 2.93Å; E191-F195 VanDerWaalsContact O-N 3.09Å; A192-F195 PolarHBondContact O-N 2.8Å; F195-F198 WeakPolarHBondContact O-CB 3.33Å; F195-F198 PolarHBondContact O-N 2.98Å; F195-I199 HydrophobicContact CD1-CG1 4.36Å; F195-I199 HydrophobicContact CE1-CG1 3.81Å; F195-I199 HydrophobicContact CE2-CD1 4.14Å; F195-I199 HydrophobicContact CE2-CG1 4.07Å; F195-I199 HydrophobicContact CZ-CD1 3.86Å; F195-I199 HydrophobicContact CZ-CG1 3.64Å; F195-I199 WeakPolarHBondContact O-CG1 3.49Å; F195-I199 PolarHBondContact O-N 3.16Å; F195-Y208 HydrophobicContact CB-CD1 4.11Å; F195-Y208 HydrophobicContact CB-CE1 3.76Å; F195-Y208 AromaticContact CD2-CD1 3.91Å; F195-Y208 HydrophobicContact CD2-CD1 3.91Å; F195-Y208 HydrophobicContact CD2-CE1 4.3Å; F195-F210 HydrophobicContact CB-CE1 4.29Å; F195-F210 HydrophobicContact CB-CZ 4.03Å; F195-F210 HydrophobicContact CD2-CE2 4.17Å; F195-F210 AromaticContact CD2-CZ 3.75Å; F195-F210 HydrophobicContact CD2-CZ 3.75Å; F195-F210 HydrophobicContact CE2-CZ 4.47Å; F195-F210 AromaticContact CG-CZ 3.96Å; F195-F210 HydrophobicContact CG-CZ 3.96Å; F195-L226 HydrophobicContact CE1-CD2 3.86Å; F195-L226 HydrophobicContact CE2-CD2 3.77Å; F195-L226 HydrophobicContact CZ-CD2 3.41Å; F195-L226 VanDerWaalsContact CZ-CD2 3.41Å; F195-F230 HydrophobicContact CE1-CD2 4.07Å; F195-F230 AromaticContact CE1-CE2 3.91Å; F195-F230 HydrophobicContact CE1-CE2 3.91Å; F195-F230 HydrophobicContact CE1-CZ 4.32Å; F195-F230 HydrophobicContact CZ-CD2 4.11Å; F195-F230 HydrophobicContact CZ-CE2 4.42Å; F195-F230 HydrophobicContact CZ-CG 4.43Å; F195-V249 HydrophobicContact CD2-CG2 4.41Å; F195-V249 HydrophobicContact CE2-CB 4.38Å; F195-V249 HydrophobicContact CE2-CG1 4.02Å; F195-V249 HydrophobicContact CE2-CG2 4.1Å
196	F	83.8	Confident	80.7	Confident	12 Å²	12	70 Å²	70	5%	0.053	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-38.2	179.1	-87.4	-97.7	0	0	0	111.6	P161 D179 Y180 L183 A192 E193 F198 I199 D200 F230	P161-F196 HydrophobicContact CB-CB 3.97Å; D179-F196 HydrophobicContact CB-CZ 4.1Å; Y180-F196 AromaticContact CD2-CD2 3.8Å; Y180-F196 HydrophobicContact CD2-CD2 3.8Å; Y180-F196 HydrophobicContact CD2-CE2 4.03Å; Y180-F196 HydrophobicContact CD2-CG 4.26Å; L183-F196 HydrophobicContact CB-CE2 4.47Å; L183-F196 HydrophobicContact CD2-CD2 4.15Å; L183-F196 HydrophobicContact CD2-CE2 3.76Å; A192-F196 WeakPolarHBondContact O-CD2 3.42Å; A192-F196 PolarHBondContact O-N 2.87Å; E193-F196 PolarHBondContact O-N 3.3Å; F196-F198 VanDerWaalsContact C-N 3.3Å; F196-F198 PolarHBondContact O-N 2.83Å; F196-I199 PolarHBondContact O-N 3.47Å; F196-D200 PolarHBondContact O-N 3.28Å; F196-F230 HydrophobicContact CE1-CZ 4.05Å; F196-F230 HydrophobicContact CZ-CE2 4.4Å; F196-F230 AromaticContact CZ-CZ 3.81Å; F196-F230 HydrophobicContact CZ-CZ 3.81Å
197	R	82.1	Confident	80.8	Confident	114 Å²	114	70.5 Å²	70.5	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-58.6	-41.5	170.1	-78	-175.5	-80.1	-169	-11	112.2	P161 E193 D194 D200 A201	P161-R197 HydrophobicContact CG-CG 3.84Å; E193-R197 WeakPolarHBondContact O-CB 3.41Å; E193-R197 WeakPolarHBondContact O-CG 3.31Å; E193-R197 PolarHBondContact O-N 3.18Å; E193-R197 PolarHBondContact O-NE 2.99Å; E193-R197 IonicContact OE2-NH2 2.63Å; D194-R197 PolarHBondContact O-N 2.76Å; D194-R197 IonicContact OD1-CZ 3.17Å; D194-R197 IonicContact OD1-NE 3.46Å; D194-R197 PolarHBondContact OD1-NE 2.92Å; D194-R197 IonicContact OD1-NH2 2.84Å; D194-R197 PolarHBondContact OD1-NH2 2.99Å; R197-D200 PolarHBondContact O-N 3.25Å; R197-A201 VanDerWaalsContact O-CB 3.28Å; R197-A201 WeakPolarHBondContact O-CB 3.31Å; R197-A201 PolarHBondContact O-N 3.19Å
198	F	83.8	Confident	80.8	Confident	22 Å²	22	71.1 Å²	71.1	10%	0.096	36%	0.356	C	S	.	.	H	α-helix	trans	-62.4	-44.9	175.4	164	-97.4	0	0	0	112.7	D194 F195 F196 A201 K202 S206 Y208 V249 L251	D194-F198 WeakPolarHBondContact O-CB 3.33Å; D194-F198 PolarHBondContact O-N 2.82Å; F195-F198 WeakPolarHBondContact O-CB 3.33Å; F195-F198 PolarHBondContact O-N 2.98Å; F196-F198 VanDerWaalsContact C-N 3.3Å; F196-F198 PolarHBondContact O-N 2.83Å; F198-A201 PolarHBondContact O-N 2.83Å; F198-K202 PolarHBondContact O-N 3.04Å; F198-S206 WeakPolarHBondContact CE2-OG 3.21Å; F198-Y208 HydrophobicContact CB-CG 4.42Å; F198-Y208 HydrophobicContact CG-CG 4.41Å; F198-V249 HydrophobicContact CE1-CG1 4.24Å; F198-L251 HydrophobicContact CE1-CG 4.26Å; F198-L251 HydrophobicContact CZ-CD1 4.44Å; F198-L251 HydrophobicContact CZ-CG 4.02Å
199	I	82.9	Confident	80.8	Confident	12 Å²	12	65.7 Å²	65.7	6%	0.062	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-43	177.7	-69.5	-60.8	0	0	0	111.5	F195 F196 K202 L233 V234 L251	F195-I199 HydrophobicContact CD1-CG1 4.36Å; F195-I199 HydrophobicContact CE1-CG1 3.81Å; F195-I199 HydrophobicContact CE2-CD1 4.14Å; F195-I199 HydrophobicContact CE2-CG1 4.07Å; F195-I199 HydrophobicContact CZ-CD1 3.86Å; F195-I199 HydrophobicContact CZ-CG1 3.64Å; F195-I199 WeakPolarHBondContact O-CG1 3.49Å; F195-I199 PolarHBondContact O-N 3.16Å; F196-I199 PolarHBondContact O-N 3.47Å; I199-K202 WeakPolarHBondContact O-CG 3.43Å; I199-K202 PolarHBondContact O-N 2.95Å; I199-L233 HydrophobicContact CD1-CD2 4.26Å; I199-L233 HydrophobicContact CG2-CD2 3.87Å; I199-V234 HydrophobicContact CD1-CG1 3.42Å; I199-V234 VanDerWaalsContact CD1-CG1 3.42Å; I199-L251 HydrophobicContact CD1-CD2 4.28Å
200	D	76.4	Confident	81.1	Confident	59 Å²	59	59.6 Å²	59.6	32%	0.316	31%	0.314	S	S	.	.	H	α-helix	trans	-75.2	-30.9	-178.7	-85.4	-28.7	0	0	0	113.4	R157 F196 R197 K202	R157-D200 WeakPolarHBondContact CB-OD2 3.29Å; R157-D200 WeakPolarHBondContact CD-OD2 3.03Å; F196-D200 PolarHBondContact O-N 3.28Å; R197-D200 PolarHBondContact O-N 3.25Å; D200-K202 PolarHBondContact O-N 2.65Å
201	A	77.5	Confident	81.1	Confident	54 Å²	54	54.1 Å²	54.1	45%	0.446	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-27.8	175.2	0	0	0	0	0	112.5	R197 F198 V203	R197-A201 VanDerWaalsContact O-CB 3.28Å; R197-A201 WeakPolarHBondContact O-CB 3.31Å; R197-A201 PolarHBondContact O-N 3.19Å; F198-A201 PolarHBondContact O-N 2.83Å; A201-V203 HydrophobicContact CB-CG2 4.06Å; A201-V203 PolarHBondContact O-N 2.71Å
202	K	74.9	Confident	80.9	Confident	127 Å²	127	56.5 Å²	56.5	55%	0.552	32%	0.315	S	S	*	.			trans	47.5	30.9	177.3	-64	-175.7	-178.8	176.7	0	114.6	F198 I199 D200 R204	F198-K202 PolarHBondContact O-N 3.04Å; I199-K202 WeakPolarHBondContact O-CG 3.43Å; I199-K202 PolarHBondContact O-N 2.95Å; D200-K202 PolarHBondContact O-N 2.65Å; K202-R204 PolarHBondContact O-N 3.25Å
203	V	76.1	Confident	80.6	Confident	72 Å²	72	58 Å²	58	44%	0.436	32%	0.323	S	S	.	.			trans	-70	118.7	-179.3	-179.2	0	0	0	0	108.7	A201 G205 S206 L251	A201-V203 HydrophobicContact CB-CG2 4.06Å; A201-V203 PolarHBondContact O-N 2.71Å; V203-G205 PolarHBondContact O-N 2.87Å; V203-S206 PolarHBondContact O-N 2.85Å; V203-S206 PolarHBondContact O-OG 3.25Å; V203-L251 WeakPolarHBondContact O-CD1 3.29Å
204	R	72.7	Confident	80.2	Confident	216 Å²	216	61.6 Å²	61.6	82%	0.815	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	136.6	179.7	-66.6	-170.9	-174.6	174.7	8.6	110.4	K202 S206	K202-R204 PolarHBondContact O-N 3.25Å; R204-S206 VanDerWaalsContact C-N 3.27Å; R204-S206 PolarHBondContact O-N 3.06Å
205	G	68.9	Low	80.2	Confident	77 Å²	77	60.5 Å²	60.5	79%	0.794	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	-0.6	178.1	0	0	0	0	0	115.3	V203	V203-G205 PolarHBondContact O-N 2.87Å
206	S	79.9	Confident	79.9	Confident	35 Å²	35	67.4 Å²	67.4	25%	0.245	37%	0.371	C	S	.	.			trans	-79	152	171.5	63.5	0	0	0	0	111.3	F198 V203 R204	F198-S206 WeakPolarHBondContact CE2-OG 3.21Å; V203-S206 PolarHBondContact O-N 2.85Å; V203-S206 PolarHBondContact O-OG 3.25Å; R204-S206 VanDerWaalsContact C-N 3.27Å; R204-S206 PolarHBondContact O-N 3.06Å
207	S	84.3	Confident	79.9	Confident	59 Å²	59	73.5 Å²	73.5	41%	0.413	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.2	173.5	63.1	0	0	0	0	109.9	V249	S207-V249 CarbonylContact C-O 3.56Å; S207-V249 VanDerWaalsContact CA-O 3.26Å; S207-V249 WeakPolarHBondContact CA-O 3.29Å
208	Y	85.6	Confident	80	Confident	33 Å²	33	71.6 Å²	71.6	13%	0.129	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.2	171.2	178	-106.5	0	0	0	109.7	E191 D194 F195 F198 F210 S248 V249	E191-Y208 VanDerWaalsContact CA-OH 3.27Å; E191-Y208 WeakPolarHBondContact CA-OH 3.42Å; E191-Y208 PolarHBondContact O-OH 2.89Å; D194-Y208 HydrophobicContact CB-CE2 3.57Å; D194-Y208 WeakPolarHBondContact CB-OH 3.1Å; F195-Y208 HydrophobicContact CB-CD1 4.11Å; F195-Y208 HydrophobicContact CB-CE1 3.76Å; F195-Y208 AromaticContact CD2-CD1 3.91Å; F195-Y208 HydrophobicContact CD2-CD1 3.91Å; F195-Y208 HydrophobicContact CD2-CE1 4.3Å; F198-Y208 HydrophobicContact CB-CG 4.42Å; F198-Y208 HydrophobicContact CG-CG 4.41Å; Y208-F210 HydrophobicContact CD1-CD2 4.27Å; Y208-F210 HydrophobicContact CD1-CE2 4.06Å; Y208-F210 HydrophobicContact CD1-CZ 4.18Å; Y208-F210 AromaticContact CE1-CD1 3.78Å; Y208-F210 HydrophobicContact CE1-CD1 3.78Å; Y208-F210 HydrophobicContact CE1-CD2 4.08Å; Y208-F210 AromaticContact CE1-CE1 3.65Å; Y208-F210 HydrophobicContact CE1-CE1 3.65Å; Y208-F210 AromaticContact CE1-CE2 3.96Å; Y208-F210 HydrophobicContact CE1-CE2 3.96Å; Y208-F210 AromaticContact CE1-CG 3.99Å; Y208-F210 HydrophobicContact CE1-CG 3.99Å; Y208-F210 AromaticContact CE1-CZ 3.74Å; Y208-F210 HydrophobicContact CE1-CZ 3.74Å; Y208-S248 CarbonylContact O-C 3.56Å; Y208-S248 WeakPolarHBondContact O-CA 3.39Å; Y208-V249 PolarHBondContact N-O 3.06Å; Y208-V249 PolarHBondContact O-N 3.03Å
209	T	85.1	Confident	80	Confident	66 Å²	66	72.5 Å²	72.5	41%	0.405	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.7	-179	-54.4	0	0	0	0	108.9	S246 I247 S248	T209-S246 WeakPolarHBondContact CG2-OG 3.47Å; T209-I247 WeakPolarHBondContact CA-O 3.49Å; T209-S248 PolarHBondContact OG1-OG 3.12Å
210	F	86.4	Confident	80	Confident	9 Å²	9	74.8 Å²	74.8	4%	0.039	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-67.1	159.4	172.1	-68.3	-85.3	0	0	0	110.4	V187 E191 F195 Y208 L226 S246 I247 V249	V187-F210 HydrophobicContact CB-CD1 4.48Å; V187-F210 HydrophobicContact CB-CE1 4.46Å; V187-F210 HydrophobicContact CG1-CD1 3.99Å; V187-F210 HydrophobicContact CG1-CE1 4.02Å; V187-F210 HydrophobicContact CG2-CE1 4.2Å; E191-F210 HydrophobicContact CB-CD1 4.1Å; E191-F210 HydrophobicContact CB-CE1 4.38Å; F195-F210 HydrophobicContact CB-CE1 4.29Å; F195-F210 HydrophobicContact CB-CZ 4.03Å; F195-F210 HydrophobicContact CD2-CE2 4.17Å; F195-F210 AromaticContact CD2-CZ 3.75Å; F195-F210 HydrophobicContact CD2-CZ 3.75Å; F195-F210 HydrophobicContact CE2-CZ 4.47Å; F195-F210 AromaticContact CG-CZ 3.96Å; F195-F210 HydrophobicContact CG-CZ 3.96Å; Y208-F210 HydrophobicContact CD1-CD2 4.27Å; Y208-F210 HydrophobicContact CD1-CE2 4.06Å; Y208-F210 HydrophobicContact CD1-CZ 4.18Å; Y208-F210 AromaticContact CE1-CD1 3.78Å; Y208-F210 HydrophobicContact CE1-CD1 3.78Å; Y208-F210 HydrophobicContact CE1-CD2 4.08Å; Y208-F210 AromaticContact CE1-CE1 3.65Å; Y208-F210 HydrophobicContact CE1-CE1 3.65Å; Y208-F210 AromaticContact CE1-CE2 3.96Å; Y208-F210 HydrophobicContact CE1-CE2 3.96Å; Y208-F210 AromaticContact CE1-CG 3.99Å; Y208-F210 HydrophobicContact CE1-CG 3.99Å; Y208-F210 AromaticContact CE1-CZ 3.74Å; Y208-F210 HydrophobicContact CE1-CZ 3.74Å; F210-L226 HydrophobicContact CE2-CD1 3.77Å; F210-L226 HydrophobicContact CZ-CD1 4.27Å; F210-S246 WeakPolarHBondContact O-CB 3.25Å; F210-I247 HydrophobicContact CB-CB 4.36Å; F210-I247 HydrophobicContact CD2-CB 4Å; F210-I247 HydrophobicContact CD2-CG2 4.07Å; F210-I247 PolarHBondContact N-O 3.39Å; F210-V249 HydrophobicContact CD2-CG2 4.15Å; F210-V249 HydrophobicContact CE2-CG2 3.58Å
211	G	81.4	Confident	80.4	Confident	27 Å²	27	74 Å²	74	28%	0.278	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-54.6	159.6	176	0	0	0	0	0	113.2	E191 D213	E191-G211 WeakPolarHBondContact OE1-CA 3.36Å; E191-G211 PolarHBondContact OE1-N 3.22Å; G211-D213 PolarHBondContact O-N 2.94Å
212	P	80.5	Confident	80.8	Confident	84 Å²	84	71.5 Å²	71.5	55%	0.545	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-62.4	133.1	176.6	26.1	-32.6	0	0	0	110.8	R244	P212-R244 HydrophobicContact CB-CB 3.81Å; P212-R244 HydrophobicContact CB-CG 4.35Å
213	D	78.4	Confident	81.1	Confident	31 Å²	31	66.9 Å²	66.9	17%	0.166	37%	0.374	C	S	.	.			trans	-134.3	118.4	-178.7	178.8	10.1	0	0	0	110.7	G211 S215 H218 R219 T245	G211-D213 PolarHBondContact O-N 2.94Å; D213-S215 PolarHBondContact OD1-N 2.81Å; D213-H218 IonicContact OD1-ND1 3.89Å; D213-H218 WeakPolarHBondContact OD2-CB 3.24Å; D213-H218 IonicContact OD2-CE1 3.78Å; D213-H218 IonicContact OD2-CG 3.9Å; D213-H218 IonicContact OD2-ND1 2.76Å; D213-H218 PolarHBondContact OD2-ND1 3.41Å; D213-R219 HydrophobicContact CB-CG 3.86Å; D213-R219 WeakPolarHBondContact O-CD 3.29Å; D213-R219 PolarHBondContact O-NE 2.96Å; D213-R219 WeakPolarHBondContact OD2-CG 3.33Å; D213-R219 PolarHBondContact OD2-N 2.95Å; D213-T245 PolarHBondContact N-O 2.93Å; D213-T245 VanDerWaalsContact O-O 3.07Å
214	D	74.7	Confident	81.5	Confident	118 Å²	118	69.6 Å²	69.6	63%	0.631	38%	0.381	S	S	*	.			trans	-86.3	-15.6	-176	-62.6	-34	0	0	0	112.3
215	S	83.5	Confident	82.1	Confident	44 Å²	44	59.6 Å²	59.6	31%	0.308	34%	0.344	S	S	.	.			trans	-82.9	129.5	176.7	171.7	0	0	0	0	111.2	D213 E217 H218 R219	D213-S215 PolarHBondContact OD1-N 2.81Å; S215-E217 PolarHBondContact OG-N 3.19Å; S215-E217 PolarHBondContact OG-OE2 3.45Å; S215-E217 VanDerWaalsContact OG-OE2 3.1Å; S215-H218 PolarHBondContact OG-N 3.16Å; S215-H218 VanDerWaalsContact OG-N 3.13Å; S215-R219 WeakPolarHBondContact O-CG 3.2Å; S215-R219 PolarHBondContact O-N 2.87Å; S215-R219 PolarHBondContact O-NE 2.83Å
216	K	79.6	Confident	82.9	Confident	144 Å²	144	56 Å²	56	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-75.7	-36.8	176.1	-173.7	179.8	176	-175.2	0	111	T220	K216-T220 WeakPolarHBondContact O-CB 3.39Å; K216-T220 PolarHBondContact O-N 3.4Å; K216-T220 PolarHBondContact O-OG1 3.49Å
217	E	82.9	Confident	82.9	Confident	140 Å²	140	58 Å²	58	65%	0.654	31%	0.314	S	S	*	.	H	α-helix	trans	-64.3	-45.8	179	-61.1	70.2	-149.4	0	0	110.4	S215 T220 A221	S215-E217 PolarHBondContact OG-N 3.19Å; S215-E217 PolarHBondContact OG-OE2 3.45Å; S215-E217 VanDerWaalsContact OG-OE2 3.1Å; E217-T220 PolarHBondContact O-N 2.84Å; E217-A221 PolarHBondContact O-N 2.95Å
218	H	85.2	Confident	82.9	Confident	74 Å²	74	63.1 Å²	63.1	34%	0.343	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-48.3	177.7	-172	-98	0	0	0	111.9	L186 D213 S215 T220 A221 V222	L186-H218 PolarHBondContact O-CE1 3.07Å; L186-H218 PolarHBondContact O-NE2 2.94Å; D213-H218 IonicContact OD1-ND1 3.89Å; D213-H218 WeakPolarHBondContact OD2-CB 3.24Å; D213-H218 IonicContact OD2-CE1 3.78Å; D213-H218 IonicContact OD2-CG 3.9Å; D213-H218 IonicContact OD2-ND1 2.76Å; D213-H218 PolarHBondContact OD2-ND1 3.41Å; S215-H218 PolarHBondContact OG-N 3.16Å; S215-H218 VanDerWaalsContact OG-N 3.13Å; H218-T220 VanDerWaalsContact C-N 3.25Å; H218-T220 PolarHBondContact O-N 3.13Å; H218-A221 WeakPolarHBondContact O-CB 3.46Å; H218-A221 PolarHBondContact O-N 3.43Å; H218-A221 VanDerWaalsContact O-N 3.1Å; H218-V222 PolarHBondContact O-N 3.42Å
219	R	83.8	Confident	82.6	Confident	42 Å²	42	67.4 Å²	67.4	16%	0.158	34%	0.34	C	S	.	.	H	α-helix	trans	-57.6	-39.9	174.7	-70.9	-176.4	-71.5	142.6	-11.7	113	D213 S215 V222 H223 I247	D213-R219 HydrophobicContact CB-CG 3.86Å; D213-R219 WeakPolarHBondContact O-CD 3.29Å; D213-R219 PolarHBondContact O-NE 2.96Å; D213-R219 WeakPolarHBondContact OD2-CG 3.33Å; D213-R219 PolarHBondContact OD2-N 2.95Å; S215-R219 WeakPolarHBondContact O-CG 3.2Å; S215-R219 PolarHBondContact O-N 2.87Å; S215-R219 PolarHBondContact O-NE 2.83Å; R219-V222 PolarHBondContact O-N 2.53Å; R219-H223 WeakPolarHBondContact O-CB 3.23Å; R219-H223 PolarHBondContact O-CD2 3.29Å; R219-H223 PolarHBondContact O-N 3.23Å; R219-I247 HydrophobicContact CB-CD1 4.07Å; R219-I247 HydrophobicContact CB-CG1 4.38Å; R219-I247 HydrophobicContact CG-CD1 4.08Å; R219-I247 HydrophobicContact CG-CG1 4.14Å
220	T	82.6	Confident	82.4	Confident	60 Å²	60	65.6 Å²	65.6	37%	0.368	33%	0.327	S	S	.	.	H	α-helix	trans	-65.7	-39.8	178.6	-56.7	0	0	0	0	111.1	K216 E217 H218 H223 H224	K216-T220 WeakPolarHBondContact O-CB 3.39Å; K216-T220 PolarHBondContact O-N 3.4Å; K216-T220 PolarHBondContact O-OG1 3.49Å; E217-T220 PolarHBondContact O-N 2.84Å; H218-T220 VanDerWaalsContact C-N 3.25Å; H218-T220 PolarHBondContact O-N 3.13Å; T220-H223 PolarHBondContact O-N 3.13Å; T220-H224 WeakPolarHBondContact O-CB 3.28Å; T220-H224 PolarHBondContact O-CD2 3.02Å; T220-H224 PolarHBondContact O-N 2.93Å
221	A	84.3	Confident	81.8	Confident	41 Å²	41	65.9 Å²	65.9	34%	0.339	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-44.9	174.9	0	0	0	0	0	112.4	L186 E217 H218 H224 F225	L186-A221 HydrophobicContact CD2-CB 4.48Å; E217-A221 PolarHBondContact O-N 2.95Å; H218-A221 WeakPolarHBondContact O-CB 3.46Å; H218-A221 PolarHBondContact O-N 3.43Å; H218-A221 VanDerWaalsContact O-N 3.1Å; A221-H224 PolarHBondContact O-N 2.69Å; A221-F225 PolarHBondContact O-N 2.85Å
222	V	85.1	Confident	81.5	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.012	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-43.9	175.8	177.9	0	0	0	0	111	L186 V187 H218 R219 H224 F225 L226 I247	L186-V222 HydrophobicContact CB-CG2 4.26Å; V187-V222 HydrophobicContact CG1-CG1 4.43Å; V187-V222 HydrophobicContact CG1-CG2 4.02Å; H218-V222 PolarHBondContact O-N 3.42Å; R219-V222 PolarHBondContact O-N 2.53Å; V222-H224 PolarHBondContact O-N 2.82Å; V222-F225 PolarHBondContact O-N 2.92Å; V222-L226 HydrophobicContact CG1-CD1 3.85Å; V222-L226 HydrophobicContact CG1-CG 4.32Å; V222-L226 WeakPolarHBondContact O-CB 3.08Å; V222-L226 VanDerWaalsContact O-CG 3.28Å; V222-L226 WeakPolarHBondContact O-CG 2.92Å; V222-L226 PolarHBondContact O-N 3.2Å; V222-I247 HydrophobicContact CB-CD1 3.64Å; V222-I247 HydrophobicContact CG1-CD1 3.62Å; V222-I247 HydrophobicContact CG2-CD1 4.4Å
223	H	81.5	Confident	81.3	Confident	30 Å²	30	73.4 Å²	73.4	14%	0.139	35%	0.352	C	S	.	.	H	α-helix	trans	-59.8	-43.5	174.2	-86.3	-69.4	0	0	0	112.7	R219 T220 N227 T236 S238	R219-H223 WeakPolarHBondContact O-CB 3.23Å; R219-H223 PolarHBondContact O-CD2 3.29Å; R219-H223 PolarHBondContact O-N 3.23Å; T220-H223 PolarHBondContact O-N 3.13Å; H223-N227 VanDerWaalsContact O-CB 3.29Å; H223-N227 WeakPolarHBondContact O-CB 3.18Å; H223-N227 PolarHBondContact O-N 2.68Å; H223-N227 PolarHBondContact O-ND2 2.91Å; H223-T236 VanDerWaalsContact ND1-CB 3.27Å; H223-T236 WeakPolarHBondContact ND1-CB 3.49Å; H223-T236 PolarHBondContact ND1-OG1 2.8Å; H223-S238 PolarHBondContact NE2-OG 2.59Å
224	H	84.9	Confident	81.5	Confident	129 Å²	129	71.9 Å²	71.9	60%	0.597	34%	0.344	S	S	*	.	H	α-helix	trans	-63.6	-44.4	177.4	-86.6	-64.5	0	0	0	111.8	T220 A221 V222 R228	T220-H224 WeakPolarHBondContact O-CB 3.28Å; T220-H224 PolarHBondContact O-CD2 3.02Å; T220-H224 PolarHBondContact O-N 2.93Å; A221-H224 PolarHBondContact O-N 2.69Å; V222-H224 PolarHBondContact O-N 2.82Å; H224-R228 WeakPolarHBondContact O-CB 2.96Å; H224-R228 PolarHBondContact O-N 3.18Å
225	F	86.5	Confident	81.8	Confident	7 Å²	7	69.3 Å²	69.3	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-51.7	176.6	174.1	-95.7	0	0	0	111.6	D179 E182 L183 L186 A221 V222 N227 R228 R229 F230	D179-F225 HydrophobicContact CB-CZ 4.36Å; D179-F225 VanDerWaalsContact O-CZ 3.26Å; D179-F225 WeakPolarHBondContact O-CZ 3.41Å; E182-F225 HydrophobicContact CB-CD2 4.3Å; E182-F225 HydrophobicContact CB-CE2 3.59Å; E182-F225 HydrophobicContact CB-CZ 4.23Å; E182-F225 VanDerWaalsContact CD-CE2 3.48Å; E182-F225 HydrophobicContact CG-CD2 3.73Å; E182-F225 HydrophobicContact CG-CE2 3.52Å; E182-F225 WeakPolarHBondContact OE2-CE2 3.43Å; L183-F225 HydrophobicContact CB-CD1 4.37Å; L183-F225 HydrophobicContact CB-CE1 3.63Å; L183-F225 HydrophobicContact CB-CZ 3.98Å; L183-F225 HydrophobicContact CD1-CD1 3.81Å; L183-F225 HydrophobicContact CD1-CE1 3.82Å; L183-F225 HydrophobicContact CD2-CE1 4.38Å; L183-F225 HydrophobicContact CG-CE1 4.12Å; L186-F225 HydrophobicContact CD1-CB 3.79Å; L186-F225 HydrophobicContact CD1-CD2 4.41Å; L186-F225 HydrophobicContact CD1-CG 4.01Å; A221-F225 PolarHBondContact O-N 2.85Å; V222-F225 PolarHBondContact O-N 2.92Å; F225-N227 PolarHBondContact O-N 3.12Å; F225-R228 PolarHBondContact O-N 3.42Å; F225-R229 HydrophobicContact CD2-CG 4.35Å; F225-R229 HydrophobicContact CE2-CG 3.87Å; F225-R229 HydrophobicContact CZ-CG 4.13Å; F225-R229 PolarHBondContact O-N 2.85Å; F225-F230 HydrophobicContact CE1-CE2 4.16Å; F225-F230 HydrophobicContact CZ-CE2 4.45Å
226	L	85.1	Confident	81.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.6	-40.3	-179.1	-68.3	174.4	0	0	0	112.3	F195 F210 V222 F230 G231 T236 V249	F195-L226 HydrophobicContact CE1-CD2 3.86Å; F195-L226 HydrophobicContact CE2-CD2 3.77Å; F195-L226 HydrophobicContact CZ-CD2 3.41Å; F195-L226 VanDerWaalsContact CZ-CD2 3.41Å; F210-L226 HydrophobicContact CE2-CD1 3.77Å; F210-L226 HydrophobicContact CZ-CD1 4.27Å; V222-L226 HydrophobicContact CG1-CD1 3.85Å; V222-L226 HydrophobicContact CG1-CG 4.32Å; V222-L226 WeakPolarHBondContact O-CB 3.08Å; V222-L226 VanDerWaalsContact O-CG 3.28Å; V222-L226 WeakPolarHBondContact O-CG 2.92Å; V222-L226 PolarHBondContact O-N 3.2Å; L226-F230 HydrophobicContact CD2-CD2 4.26Å; L226-F230 CarbonylContact O-C 3.6Å; L226-F230 VanDerWaalsContact O-CA 3.29Å; L226-F230 WeakPolarHBondContact O-CA 3.3Å; L226-F230 WeakPolarHBondContact O-CB 3.5Å; L226-F230 PolarHBondContact O-N 3.13Å; L226-G231 PolarHBondContact O-N 2.96Å; L226-T236 HydrophobicContact CB-CG2 3.74Å; L226-T236 HydrophobicContact CD1-CG2 3.68Å; L226-T236 HydrophobicContact CG-CG2 4.35Å; L226-V249 HydrophobicContact CD1-CG2 3.99Å
227	N	79.6	Confident	82.1	Confident	79 Å²	79	65.9 Å²	65.9	42%	0.422	31%	0.309	S	S	.	.	H	α-helix	trans	-70.8	-37.4	176.4	-75.6	-22.6	0	0	0	112.3	H223 F225 G231 T236	H223-N227 VanDerWaalsContact O-CB 3.29Å; H223-N227 WeakPolarHBondContact O-CB 3.18Å; H223-N227 PolarHBondContact O-N 2.68Å; H223-N227 PolarHBondContact O-ND2 2.91Å; F225-N227 PolarHBondContact O-N 3.12Å; N227-G231 VanDerWaalsContact O-CA 3.31Å; N227-G231 WeakPolarHBondContact O-CA 3.36Å; N227-G231 PolarHBondContact O-N 3.05Å; N227-G231 VanDerWaalsContact O-N 3.16Å; N227-T236 PolarHBondContact OD1-OG1 2.79Å
228	R	83.1	Confident	82	Confident	166 Å²	166	61.5 Å²	61.5	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-64.7	-44.5	178.8	-171	179.9	88	-174	-2.4	111.7	E182 H224 F225	E182-R228 VanDerWaalsContact CD-NH2 3.31Å; E182-R228 IonicContact OE1-CZ 3.19Å; E182-R228 IonicContact OE1-NH1 3.55Å; E182-R228 IonicContact OE1-NH2 3.59Å; E182-R228 PolarHBondContact OE1-NH2 3.43Å; E182-R228 IonicContact OE2-NH2 2.72Å; E182-R228 PolarHBondContact OE2-NH2 3.16Å; H224-R228 WeakPolarHBondContact O-CB 2.96Å; H224-R228 PolarHBondContact O-N 3.18Å; F225-R228 PolarHBondContact O-N 3.42Å
229	R	79.6	Confident	81.6	Confident	122 Å²	122	62.3 Å²	62.3	46%	0.46	30%	0.297	S	S	.	.	H	α-helix	trans	-93.7	-41.4	-174.6	-61.1	-58.4	-65.7	-171.7	-11.4	113.6	D179 F225	D179-R229 IonicContact OD1-CZ 2.94Å; D179-R229 IonicContact OD1-NE 3.65Å; D179-R229 PolarHBondContact OD1-NE 2.86Å; D179-R229 IonicContact OD1-NH2 3.56Å; D179-R229 PolarHBondContact OD1-NH2 3.32Å; D179-R229 IonicContact OD2-CZ 2.62Å; D179-R229 VanDerWaalsContact OD2-CZ 3.24Å; D179-R229 IonicContact OD2-NE 3.97Å; D179-R229 PolarHBondContact OD2-NE 3.39Å; D179-R229 IonicContact OD2-NH2 3.26Å; D179-R229 PolarHBondContact OD2-NH2 3.38Å; F225-R229 HydrophobicContact CD2-CG 4.35Å; F225-R229 HydrophobicContact CE2-CG 3.87Å; F225-R229 HydrophobicContact CZ-CG 4.13Å; F225-R229 PolarHBondContact O-N 2.85Å
230	F	81.8	Confident	81.2	Confident	28 Å²	28	64.8 Å²	64.8	12%	0.123	32%	0.32	C	S	.	.	H	α-helix	trans	-116.9	7.5	-171.9	-54.8	-78.8	0	0	0	114.2	D179 F195 F196 F225 L226 K232 L233 V234	D179-F230 HydrophobicContact CB-CZ 4.34Å; F195-F230 HydrophobicContact CE1-CD2 4.07Å; F195-F230 AromaticContact CE1-CE2 3.91Å; F195-F230 HydrophobicContact CE1-CE2 3.91Å; F195-F230 HydrophobicContact CE1-CZ 4.32Å; F195-F230 HydrophobicContact CZ-CD2 4.11Å; F195-F230 HydrophobicContact CZ-CE2 4.42Å; F195-F230 HydrophobicContact CZ-CG 4.43Å; F196-F230 HydrophobicContact CE1-CZ 4.05Å; F196-F230 HydrophobicContact CZ-CE2 4.4Å; F196-F230 AromaticContact CZ-CZ 3.81Å; F196-F230 HydrophobicContact CZ-CZ 3.81Å; F225-F230 HydrophobicContact CE1-CE2 4.16Å; F225-F230 HydrophobicContact CZ-CE2 4.45Å; L226-F230 HydrophobicContact CD2-CD2 4.26Å; L226-F230 CarbonylContact O-C 3.6Å; L226-F230 VanDerWaalsContact O-CA 3.29Å; L226-F230 WeakPolarHBondContact O-CA 3.3Å; L226-F230 WeakPolarHBondContact O-CB 3.5Å; L226-F230 PolarHBondContact O-N 3.13Å; F230-K232 PolarHBondContact O-N 2.82Å; F230-L233 PolarHBondContact O-N 2.91Å; F230-V234 HydrophobicContact CB-CG2 3.62Å; F230-V234 WeakPolarHBondContact O-CG2 3.5Å; F230-V234 PolarHBondContact O-N 3.27Å
231	G	74.3	Confident	80	Confident	15 Å²	15	65.8 Å²	65.8	16%	0.155	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16	-173.5	0	0	0	0	0	116.1	L226 N227 R252	L226-G231 PolarHBondContact O-N 2.96Å; N227-G231 VanDerWaalsContact O-CA 3.31Å; N227-G231 WeakPolarHBondContact O-CA 3.36Å; N227-G231 PolarHBondContact O-N 3.05Å; N227-G231 VanDerWaalsContact O-N 3.16Å; G231-R252 PolarHBondContact O-NE 2.97Å; G231-R252 PolarHBondContact O-NH2 3.21Å
232	K	74.3	Confident	78.7	Confident	200 Å²	200	73.3 Å²	73.3	87%	0.87	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-26.2	170.8	-67.9	-178.4	-178.4	175	0	113	F230	F230-K232 PolarHBondContact O-N 2.82Å
233	L	76	Confident	77.5	Confident	69 Å²	69	76.8 Å²	76.8	36%	0.361	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-35.4	-173.4	-174.9	64.1	0	0	0	112.5	I199 F230 L251 R252	I199-L233 HydrophobicContact CD1-CD2 4.26Å; I199-L233 HydrophobicContact CG2-CD2 3.87Å; F230-L233 PolarHBondContact O-N 2.91Å; L233-L251 HydrophobicContact CD1-CD2 4.3Å; L233-L251 HydrophobicContact CG-CD2 4.03Å; L233-R252 PolarHBondContact O-N 2.89Å
234	V	83	Confident	76.9	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.2	-177.4	-64.4	0	0	0	0	113.3	I199 F230 V249 R250 L251 R252	I199-V234 HydrophobicContact CD1-CG1 3.42Å; I199-V234 VanDerWaalsContact CD1-CG1 3.42Å; F230-V234 HydrophobicContact CB-CG2 3.62Å; F230-V234 WeakPolarHBondContact O-CG2 3.5Å; F230-V234 PolarHBondContact O-N 3.27Å; V234-V249 HydrophobicContact CB-CG1 3.49Å; V234-V249 VanDerWaalsContact CB-CG1 3.49Å; V234-V249 HydrophobicContact CG1-CG1 3.64Å; V234-V249 HydrophobicContact CG2-CG1 3.87Å; V234-R250 CarbonylContact C-O 3.43Å; V234-R250 VanDerWaalsContact CA-O 3.23Å; V234-R250 WeakPolarHBondContact CA-O 3.47Å; V234-R250 WeakPolarHBondContact CB-O 3.13Å; V234-L251 HydrophobicContact CG1-CD2 3.97Å; V234-R252 PolarHBondContact O-NE 3.38Å
235	E	82	Confident	76.7	Confident	63 Å²	63	77.6 Å²	77.6	29%	0.294	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.4	161.2	61.5	165	-162.2	0	0	109.3	K237 V249 R250	E235-K237 IonicContact OE1-NZ 3.72Å; E235-K237 PolarHBondContact OE1-NZ 2.69Å; E235-K237 IonicContact OE2-NZ 3.89Å; E235-K237 PolarHBondContact OE2-NZ 3.38Å; E235-V249 WeakPolarHBondContact O-CA 3.39Å; E235-R250 HydrophobicContact CG-CB 3.82Å; E235-R250 PolarHBondContact N-O 2.95Å; E235-R250 PolarHBondContact O-N 2.79Å
236	T	85.6	Confident	76.6	Confident	20 Å²	20	78.4 Å²	78.4	12%	0.123	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.5	179.4	58.7	0	0	0	0	109.3	H223 L226 N227 S248 V249	H223-T236 VanDerWaalsContact ND1-CB 3.27Å; H223-T236 WeakPolarHBondContact ND1-CB 3.49Å; H223-T236 PolarHBondContact ND1-OG1 2.8Å; L226-T236 HydrophobicContact CB-CG2 3.74Å; L226-T236 HydrophobicContact CD1-CG2 3.68Å; L226-T236 HydrophobicContact CG-CG2 4.35Å; N227-T236 PolarHBondContact OD1-OG1 2.79Å; T236-S248 WeakPolarHBondContact CA-O 3.33Å; T236-V249 HydrophobicContact CG2-CG1 4.31Å; T236-V249 HydrophobicContact CG2-CG2 4.14Å
237	K	82.7	Confident	76.6	Confident	97 Å²	97	78.6 Å²	78.6	42%	0.422	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.1	177.6	-69.7	179	-178	156.6	0	110.1	E235 F239 S248	E235-K237 IonicContact OE1-NZ 3.72Å; E235-K237 PolarHBondContact OE1-NZ 2.69Å; E235-K237 IonicContact OE2-NZ 3.89Å; E235-K237 PolarHBondContact OE2-NZ 3.38Å; K237-F239 HydrophobicContact CB-CD2 4.38Å; K237-F239 HydrophobicContact CB-CE2 3.78Å; K237-F239 HydrophobicContact CB-CZ 4.26Å; K237-F239 HydrophobicContact CD-CZ 4.47Å; K237-S248 PolarHBondContact N-O 3.16Å; K237-S248 PolarHBondContact O-N 3.12Å
238	S	80.5	Confident	76.8	Confident	48 Å²	48	75.2 Å²	75.2	34%	0.336	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.2	170.6	-79.1	0	0	0	0	109.6	H223 S246	H223-S238 PolarHBondContact NE2-OG 2.59Å; S238-S246 CarbonylContact C-O 3.47Å; S238-S246 WeakPolarHBondContact CA-O 3.43Å
239	F	77.4	Confident	76.9	Confident	90 Å²	90	67.3 Å²	67.3	40%	0.395	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.5	173.5	-70.7	-85.1	0	0	0	109.9	K237 T245 S246	K237-F239 HydrophobicContact CB-CD2 4.38Å; K237-F239 HydrophobicContact CB-CE2 3.78Å; K237-F239 HydrophobicContact CB-CZ 4.26Å; K237-F239 HydrophobicContact CD-CZ 4.47Å; F239-T245 WeakPolarHBondContact O-CA 3.41Å; F239-T245 WeakPolarHBondContact O-CG2 3.34Å; F239-S246 PolarHBondContact N-O 3.27Å; F239-S246 PolarHBondContact O-N 2.79Å
240	S	76.3	Confident	77.1	Confident	94 Å²	94	66.6 Å²	66.6	66%	0.657	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.5	173.5	-58	0	0	0	0	108.9	T245	S240-T245 PolarHBondContact OG-OG1 3.31Å
241	S	56.3	Low	77.1	Confident	82 Å²	82	66.7 Å²	66.7	57%	0.573	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.4	176.2	-171.5	0	0	0	0	109.2	G243 R244	S241-G243 VanDerWaalsContact C-N 3.29Å; S241-G243 PolarHBondContact O-N 3.28Å; S241-R244 PolarHBondContact N-O 3.14Å; S241-R244 PolarHBondContact O-N 3.24Å; S241-R244 VanDerWaalsContact O-O 3.11Å
242	Q	57.4	Low	77.1	Confident	199 Å²	199	72.8 Å²	72.8	93%	0.93	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	40.6	178.5	-58.6	-178.7	-6.7	0	0	114.5	R244	Q242-R244 VanDerWaalsContact C-N 3.32Å; Q242-R244 PolarHBondContact O-N 3.14Å
243	G	60.1	Low	76.8	Confident	74 Å²	74	71.8 Å²	71.8	76%	0.763	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	-2.5	175	0	0	0	0	0	115.9	S241	S241-G243 VanDerWaalsContact C-N 3.29Å; S241-G243 PolarHBondContact O-N 3.28Å
244	R	67.8	Low	75.5	Confident	158 Å²	158	78.2 Å²	78.2	60%	0.596	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	140	171.8	-70.5	179.4	173.7	167.5	-0.6	110.2	P212 S241 Q242	P212-R244 HydrophobicContact CB-CB 3.81Å; P212-R244 HydrophobicContact CB-CG 4.35Å; S241-R244 PolarHBondContact N-O 3.14Å; S241-R244 PolarHBondContact O-N 3.24Å; S241-R244 VanDerWaalsContact O-O 3.11Å; Q242-R244 VanDerWaalsContact C-N 3.32Å; Q242-R244 PolarHBondContact O-N 3.14Å
245	T	81.1	Confident	73.4	Confident	18 Å²	18	80.7 Å²	80.7	11%	0.11	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	129.9	-179.5	-49.9	0	0	0	0	110.9	D213 F239 S240	D213-T245 PolarHBondContact N-O 2.93Å; D213-T245 VanDerWaalsContact O-O 3.07Å; F239-T245 WeakPolarHBondContact O-CA 3.41Å; F239-T245 WeakPolarHBondContact O-CG2 3.34Å; S240-T245 PolarHBondContact OG-OG1 3.31Å
246	S	84.4	Confident	71.2	Confident	24 Å²	24	87.2 Å²	87.2	17%	0.168	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	154.2	177.7	58	0	0	0	0	111.2	T209 F210 S238 F239	T209-S246 WeakPolarHBondContact CG2-OG 3.47Å; F210-S246 WeakPolarHBondContact O-CB 3.25Å; S238-S246 CarbonylContact C-O 3.47Å; S238-S246 WeakPolarHBondContact CA-O 3.43Å; F239-S246 PolarHBondContact N-O 3.27Å; F239-S246 PolarHBondContact O-N 2.79Å
247	I	84.5	Confident	68.9	Low	4 Å²	4	92.3 Å²	92.3	2%	0.021	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.4	176.7	-56.5	172.6	0	0	0	108.2	T209 F210 R219 V222	T209-I247 WeakPolarHBondContact CA-O 3.49Å; F210-I247 HydrophobicContact CB-CB 4.36Å; F210-I247 HydrophobicContact CD2-CB 4Å; F210-I247 HydrophobicContact CD2-CG2 4.07Å; F210-I247 PolarHBondContact N-O 3.39Å; R219-I247 HydrophobicContact CB-CD1 4.07Å; R219-I247 HydrophobicContact CB-CG1 4.38Å; R219-I247 HydrophobicContact CG-CD1 4.08Å; R219-I247 HydrophobicContact CG-CG1 4.14Å; V222-I247 HydrophobicContact CB-CD1 3.64Å; V222-I247 HydrophobicContact CG1-CD1 3.62Å; V222-I247 HydrophobicContact CG2-CD1 4.4Å
248	S	83.9	Confident	66.7	Low	8 Å²	8	97.2 Å²	97.2	6%	0.056	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	132.6	172.8	-167.6	0	0	0	0	110.4	Y208 T209 T236 K237	Y208-S248 CarbonylContact O-C 3.56Å; Y208-S248 WeakPolarHBondContact O-CA 3.39Å; T209-S248 PolarHBondContact OG1-OG 3.12Å; T236-S248 WeakPolarHBondContact CA-O 3.33Å; K237-S248 PolarHBondContact N-O 3.16Å; K237-S248 PolarHBondContact O-N 3.12Å
249	V	85.8	Confident	64.9	Low	0 Å²	0	104.2 Å²	104.2	0%	0	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.9	177.8	-170.2	0	0	0	0	109.3	F195 F198 S207 Y208 F210 L226 V234 E235 T236	F195-V249 HydrophobicContact CD2-CG2 4.41Å; F195-V249 HydrophobicContact CE2-CB 4.38Å; F195-V249 HydrophobicContact CE2-CG1 4.02Å; F195-V249 HydrophobicContact CE2-CG2 4.1Å; F198-V249 HydrophobicContact CE1-CG1 4.24Å; S207-V249 CarbonylContact C-O 3.56Å; S207-V249 VanDerWaalsContact CA-O 3.26Å; S207-V249 WeakPolarHBondContact CA-O 3.29Å; Y208-V249 PolarHBondContact N-O 3.06Å; Y208-V249 PolarHBondContact O-N 3.03Å; F210-V249 HydrophobicContact CD2-CG2 4.15Å; F210-V249 HydrophobicContact CE2-CG2 3.58Å; L226-V249 HydrophobicContact CD1-CG2 3.99Å; V234-V249 HydrophobicContact CB-CG1 3.49Å; V234-V249 VanDerWaalsContact CB-CG1 3.49Å; V234-V249 HydrophobicContact CG1-CG1 3.64Å; V234-V249 HydrophobicContact CG2-CG1 3.87Å; E235-V249 WeakPolarHBondContact O-CA 3.39Å; T236-V249 HydrophobicContact CG2-CG1 4.31Å; T236-V249 HydrophobicContact CG2-CG2 4.14Å
250	R	84.8	Confident	62.9	Low	108 Å²	108	108.3 Å²	108.3	41%	0.408	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.7	172.5	-64	179.9	-180	-179.9	-1.6	110.4	V234 E235	V234-R250 CarbonylContact C-O 3.43Å; V234-R250 VanDerWaalsContact CA-O 3.23Å; V234-R250 WeakPolarHBondContact CA-O 3.47Å; V234-R250 WeakPolarHBondContact CB-O 3.13Å; E235-R250 HydrophobicContact CG-CB 3.82Å; E235-R250 PolarHBondContact N-O 2.95Å; E235-R250 PolarHBondContact O-N 2.79Å
251	L	81.3	Confident	61.4	Low	30 Å²	30	107.7 Å²	107.7	16%	0.157	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	134.7	171.1	-69.1	166.2	0	0	0	109.4	F198 I199 V203 L233 V234 E253	F198-L251 HydrophobicContact CE1-CG 4.26Å; F198-L251 HydrophobicContact CZ-CD1 4.44Å; F198-L251 HydrophobicContact CZ-CG 4.02Å; I199-L251 HydrophobicContact CD1-CD2 4.28Å; V203-L251 WeakPolarHBondContact O-CD1 3.29Å; L233-L251 HydrophobicContact CD1-CD2 4.3Å; L233-L251 HydrophobicContact CG-CD2 4.03Å; V234-L251 HydrophobicContact CG1-CD2 3.97Å; L251-E253 PolarHBondContact O-N 2.92Å
252	R	74.9	Confident	61	Low	142 Å²	142	107.9 Å²	107.9	54%	0.536	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-67.6	129.1	174.2	-72.4	-175.6	-179.8	-136.3	2.8	109.3	G231 L233 V234 H254	G231-R252 PolarHBondContact O-NE 2.97Å; G231-R252 PolarHBondContact O-NH2 3.21Å; L233-R252 PolarHBondContact O-N 2.89Å; V234-R252 PolarHBondContact O-NE 3.38Å; R252-H254 PolarHBondContact O-N 3.43Å
253	E	66.8	Low	60.3	Low	180 Å²	180	106.1 Å²	106.1	84%	0.841	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-70.4	119.3	171.4	-66	-174.5	163.7	0	0	109.9	L251 G255	L251-E253 PolarHBondContact O-N 2.92Å; E253-G255 PolarHBondContact O-N 2.86Å
254	H	48.2	Very low	59.6	Low	203 Å²	203	109.6 Å²	109.6	94%	0.94	53%	0.529	S	S	*	.			trans	-74.3	67.1	164.7	-96.8	-52.5	0	0	0	110	R252	R252-H254 PolarHBondContact O-N 3.43Å
255	G	40.2	Very low	58.6	Low	53 Å²	53	108.6 Å²	108.6	55%	0.546	53%	0.525	S	S	.	.			trans	-94.6	140.4	163.3	0	0	0	0	0	109.7	E253	E253-G255 PolarHBondContact O-N 2.86Å
256	K	35	Very low	56.7	Low	200 Å²	200	117 Å²	117	87%	0.87	56%	0.56	S	S	*	*	S	Bend	trans	-41.5	139	162.6	-71.2	176	179.5	173.6	0	108.4	K258	K256-K258 PolarHBondContact O-N 2.93Å
257	P	36.8	Very low	55	Low	127 Å²	127	124 Å²	124	83%	0.825	59%	0.59	S	S	*	*			trans	-50.8	110.8	-175.1	20.9	-31.7	0	0	0	108.2	K259	P257-K259 PolarHBondContact O-N 3.26Å
258	K	36.9	Very low	53.8	Low	199 Å²	199	132.4 Å²	132.4	87%	0.865	63%	0.629	S	S	*	*			trans	-55	119.4	-179.9	-154.9	177.6	-175.5	-178.4	0	104.8	K256 R260	K256-K258 PolarHBondContact O-N 2.93Å; K258-R260 PolarHBondContact O-N 2.93Å
259	K	42.7	Very low	53.2	Low	196 Å²	196	134.9 Å²	134.9	85%	0.852	64%	0.642	S	S	*	*			trans	-62.2	95.8	178.2	-152.5	-177.8	-172.5	-173.7	0	105	P257 T261	P257-K259 PolarHBondContact O-N 3.26Å; K259-T261 PolarHBondContact O-N 3.42Å
260	R	35	Very low	53.2	Low	176 Å²	176	138.7 Å²	138.7	66%	0.664	66%	0.662	S	S	*	*			trans	-46.2	125.6	177.8	-75.8	-179.1	170.3	169.5	-4.8	107.7	K258 R265	K258-R260 PolarHBondContact O-N 2.93Å; R260-R265 HydrophobicContact CB-CG 4.45Å
261	T	45.7	Very low	53.6	Low	80 Å²	80	135.6 Å²	135.6	49%	0.491	65%	0.65	S	S	.	*			trans	-57.8	147.4	172.6	32.3	0	0	0	0	108.9	K259 E263 E264	K259-T261 PolarHBondContact O-N 3.42Å; T261-E263 PolarHBondContact O-N 2.87Å; T261-E264 PolarHBondContact O-N 3.36Å
262	A	48.6	Very low	54.2	Low	87 Å²	87	134.1 Å²	134.1	72%	0.719	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-59	-21.5	-173.1	0	0	0	0	0	113.2
263	E	43	Very low	55.1	Low	161 Å²	161	127.5 Å²	127.5	75%	0.752	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-82	-24.2	-177.4	-66.7	128.6	172.3	0	0	114.5	T261 R265	T261-E263 PolarHBondContact O-N 2.87Å; E263-R265 VanDerWaalsContact C-N 3.28Å; E263-R265 PolarHBondContact O-N 3.27Å
264	E	44	Very low	56.5	Low	147 Å²	147	118.9 Å²	118.9	69%	0.687	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-84	-0.8	177.4	-69.5	-178.8	165.9	0	0	113.1	T261	T261-E264 PolarHBondContact O-N 3.36Å
265	R	47.1	Very low	58.7	Low	138 Å²	138	109.4 Å²	109.4	52%	0.521	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-96.3	23	-178.9	-71.1	-172.1	178.7	-168	-1.9	114.4	R260 E263 E267	R260-R265 HydrophobicContact CB-CG 4.45Å; E263-R265 VanDerWaalsContact C-N 3.28Å; E263-R265 PolarHBondContact O-N 3.27Å; R265-E267 PolarHBondContact O-N 2.85Å; R265-E267 VanDerWaalsContact O-O 3.04Å
266	K	40.8	Very low	61.3	Low	194 Å²	194	106.9 Å²	106.9	84%	0.843	51%	0.508	S	S	*	.			trans	-77.6	40.2	173.4	-72.1	-170.5	178	-177.6	0	113.4
267	E	50.1	Low	64.1	Low	170 Å²	170	99.2 Å²	99.2	79%	0.794	47%	0.474	S	S	*	.	S	Bend	trans	-82.5	106.2	138.4	-84.5	-180	162.9	0	0	103.3	R265 D269	R265-E267 PolarHBondContact O-N 2.85Å; R265-E267 VanDerWaalsContact O-O 3.04Å; E267-D269 PolarHBondContact O-N 3.35Å
268	E	58.3	Low	66.8	Low	181 Å²	181	93.2 Å²	93.2	85%	0.846	43%	0.434	S	S	*	.			trans	-50	110.5	175.9	-74.5	-177.9	164.4	0	0	108	I270	E268-I270 VanDerWaalsContact C-N 3.35Å; E268-I270 PolarHBondContact O-N 3.46Å
269	D	71.4	Confident	69.5	Low	61 Å²	61	86.7 Å²	86.7	33%	0.326	41%	0.407	S	S	.	.			trans	-60.1	102.6	177.3	-86.6	-46.8	0	0	0	106.5	E267 Y271 K320	E267-D269 PolarHBondContact O-N 3.35Å; D269-Y271 HydrophobicContact CB-CE2 3.77Å; D269-Y271 WeakPolarHBondContact O-CD2 3.3Å; D269-Y271 WeakPolarHBondContact O-CE2 3.28Å; D269-Y271 PolarHBondContact O-N 3.17Å; D269-K320 VanDerWaalsContact CB-CE 3.49Å; D269-K320 WeakPolarHBondContact OD1-CE 3.48Å; D269-K320 IonicContact OD1-NZ 3.24Å; D269-K320 PolarHBondContact OD1-NZ 3.04Å; D269-K320 VanDerWaalsContact OD1-NZ 3.12Å; D269-K320 WeakPolarHBondContact OD2-CE 3.5Å; D269-K320 IonicContact OD2-NZ 3.89Å; D269-K320 PolarHBondContact OD2-NZ 3.29Å
270	I	86.6	Confident	71.7	Confident	80 Å²	80	80.8 Å²	80.8	41%	0.41	39%	0.385	S	S	.	.			trans	-66.6	119.1	-178.4	-58.5	174.2	0	0	0	107.9	E268 K320 K321	E268-I270 VanDerWaalsContact C-N 3.35Å; E268-I270 PolarHBondContact O-N 3.46Å; I270-K320 CarbonylContact O-C 3.44Å; I270-K321 PolarHBondContact O-N 3.25Å
271	Y	92.9	Very high	74.1	Confident	42 Å²	42	73.5 Å²	73.5	17%	0.165	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.7	170.7	-60.6	-86.9	0	0	0	109.4	D269 V318 V319 K320 S346 V347 P350	D269-Y271 HydrophobicContact CB-CE2 3.77Å; D269-Y271 WeakPolarHBondContact O-CD2 3.3Å; D269-Y271 WeakPolarHBondContact O-CE2 3.28Å; D269-Y271 PolarHBondContact O-N 3.17Å; Y271-V318 HydrophobicContact CD1-CG1 3.96Å; Y271-V318 HydrophobicContact CG-CG1 4.35Å; Y271-V319 WeakPolarHBondContact CA-O 3.44Å; Y271-K320 HydrophobicContact CD1-CB 4.13Å; Y271-K320 HydrophobicContact CD1-CG 4.02Å; Y271-K320 HydrophobicContact CE1-CB 4.04Å; Y271-K320 HydrophobicContact CE1-CD 4.06Å; Y271-K320 HydrophobicContact CE1-CG 3.61Å; Y271-S346 CarbonylContact O-C 3.59Å; Y271-S346 WeakPolarHBondContact O-CA 3.1Å; Y271-V347 WeakPolarHBondContact CB-O 3.35Å; Y271-V347 PolarHBondContact O-N 3.42Å; Y271-V347 VanDerWaalsContact O-O 3.1Å; Y271-P350 HydrophobicContact CD1-CB 4.34Å; Y271-P350 HydrophobicContact CE1-CB 4.06Å; Y271-P350 HydrophobicContact CE1-CG 4.28Å
272	T	94.1	Very high	76.1	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	117.6	174.6	-68.4	0	0	0	0	109.2	V318 V319 V322 P324 L327 I344 R345	T272-V318 WeakPolarHBondContact O-CA 3.44Å; T272-V319 PolarHBondContact N-O 3.36Å; T272-V319 PolarHBondContact O-N 2.81Å; T272-V322 WeakPolarHBondContact CB-O 3.36Å; T272-V322 PolarHBondContact OG1-O 3.35Å; T272-P324 HydrophobicContact CG2-CB 4.4Å; T272-P324 HydrophobicContact CG2-CG 4.13Å; T272-P324 VanDerWaalsContact OG1-CD 3.25Å; T272-P324 WeakPolarHBondContact OG1-CD 3.29Å; T272-L327 HydrophobicContact CG2-CD2 3.84Å; T272-I344 HydrophobicContact CG2-CG2 3.61Å; T272-R345 CarbonylContact C-O 3.48Å; T272-R345 WeakPolarHBondContact CA-O 3.5Å
273	A	93.8	Very high	77.9	Confident	2 Å²	2	68.4 Å²	68.4	2%	0.017	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143	171.1	0	0	0	0	0	110.7	M317 V318 I344 R345 V347	A273-M317 CarbonylContact C-O 3.57Å; A273-M317 VanDerWaalsContact CA-O 3.3Å; A273-M317 WeakPolarHBondContact CA-O 3.16Å; A273-V318 HydrophobicContact CB-CG2 3.78Å; A273-I344 CarbonylContact O-C 3.52Å; A273-I344 WeakPolarHBondContact O-CA 3.35Å; A273-R345 HydrophobicContact CB-CG 4.01Å; A273-R345 PolarHBondContact N-O 3.09Å; A273-R345 PolarHBondContact O-N 2.96Å; A273-V347 HydrophobicContact CB-CB 4.36Å; A273-V347 HydrophobicContact CB-CG1 3.5Å; A273-V347 VanDerWaalsContact CB-CG1 3.5Å; A273-V347 HydrophobicContact CB-CG2 3.89Å
274	F	94.4	Very high	79.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	160.9	175.3	62.8	-83.3	0	0	0	110.9	L276 M290 F301 M317 V319 L327 L341 I344	F274-L276 HydrophobicContact CD2-CB 4.37Å; F274-L276 HydrophobicContact CE2-CB 4.01Å; F274-M290 HydrophobicContact CE2-CE 3.78Å; F274-M290 HydrophobicContact CE2-SD 4.47Å; F274-M290 HydrophobicContact CZ-CE 3.64Å; F274-M290 HydrophobicContact CZ-SD 4.44Å; F274-F301 HydrophobicContact CE1-CE1 4.22Å; F274-F301 HydrophobicContact CZ-CD1 4.24Å; F274-F301 AromaticContact CZ-CE1 3.91Å; F274-F301 HydrophobicContact CZ-CE1 3.91Å; F274-M317 HydrophobicContact CD1-CB 4.06Å; F274-M317 HydrophobicContact CD2-CB 3.99Å; F274-M317 HydrophobicContact CE1-CB 3.58Å; F274-M317 HydrophobicContact CE2-CB 3.51Å; F274-M317 HydrophobicContact CE2-CG 3.86Å; F274-M317 HydrophobicContact CG-CB 4.25Å; F274-M317 HydrophobicContact CZ-CB 3.28Å; F274-M317 HydrophobicContact CZ-CG 3.93Å; F274-M317 PolarHBondContact N-O 2.99Å; F274-M317 PolarHBondContact O-N 2.91Å; F274-V319 HydrophobicContact CD1-CG1 4.35Å; F274-V319 HydrophobicContact CE1-CB 4.18Å; F274-V319 HydrophobicContact CE1-CG1 3.91Å; F274-L327 HydrophobicContact CB-CD2 4.01Å; F274-L327 HydrophobicContact CD1-CD2 3.5Å; F274-L327 VanDerWaalsContact CD1-CD2 3.5Å; F274-L327 HydrophobicContact CD2-CD2 4.5Å; F274-L327 HydrophobicContact CE1-CD2 4.05Å; F274-L327 HydrophobicContact CG-CD2 3.76Å; F274-L341 HydrophobicContact CD2-CD2 3.74Å; F274-L341 HydrophobicContact CE2-CD2 3.71Å; F274-I344 HydrophobicContact CB-CG1 3.88Å
275	T	94.7	Very high	81.8	Confident	4 Å²	4	61.6 Å²	61.6	3%	0.025	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.6	169.3	-64.8	0	0	0	0	108.7	V52 Q315 L341 S342	V52-T275 HydrophobicContact CG1-CG2 3.38Å; V52-T275 WeakPolarHBondContact CG1-OG1 3.41Å; T275-Q315 WeakPolarHBondContact CA-O 3.47Å; T275-L341 WeakPolarHBondContact O-CA 3.23Å; T275-S342 WeakPolarHBondContact CB-OG 3.31Å; T275-S342 PolarHBondContact N-O 3.08Å; T275-S342 PolarHBondContact O-N 3.28Å
276	L	94.9	Very high	83.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.4	172.6	-179.8	65.7	0	0	0	109.5	F274 K278 A286 M290 Y314 Q315 M317 M339 L341	F274-L276 HydrophobicContact CD2-CB 4.37Å; F274-L276 HydrophobicContact CE2-CB 4.01Å; L276-K278 HydrophobicContact CG-CB 4.45Å; L276-A286 HydrophobicContact CD2-CB 4.45Å; L276-M290 HydrophobicContact CD1-SD 4.29Å; L276-Y314 WeakPolarHBondContact O-CA 3.46Å; L276-Q315 HydrophobicContact CB-CG 4.19Å; L276-Q315 PolarHBondContact N-O 3.44Å; L276-Q315 PolarHBondContact O-N 3.15Å; L276-M317 HydrophobicContact CB-CG 3.81Å; L276-M317 HydrophobicContact CD2-CE 3.51Å; L276-M317 HydrophobicContact CD2-CG 4.33Å; L276-M339 HydrophobicContact CD1-CB 4.01Å; L276-M339 HydrophobicContact CD1-CG 4.27Å; L276-L341 HydrophobicContact CD1-CD2 3.59Å
277	R	95	Very high	86.1	Confident	39 Å²	39	46.1 Å²	46.1	15%	0.147	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119	159.7	179.8	-169.3	-177.9	-83.7	2.6	107.9	E279 V312 T313 Y314 M339 R340	R277-E279 IonicContact CZ-OE2 2.76Å; R277-E279 IonicContact NH1-OE2 3.87Å; R277-E279 PolarHBondContact NH1-OE2 3.12Å; R277-E279 IonicContact NH2-OE2 3.2Å; R277-E279 PolarHBondContact NH2-OE2 3.18Å; R277-V312 HydrophobicContact CG-CG1 4.17Å; R277-T313 CarbonylContact C-O 3.56Å; R277-T313 VanDerWaalsContact CA-O 3.28Å; R277-T313 WeakPolarHBondContact CA-O 3.13Å; R277-Y314 HydrophobicContact CB-CD1 3.77Å; R277-Y314 HydrophobicContact CB-CE1 3.61Å; R277-Y314 WeakPolarHBondContact CD-OH 3.35Å; R277-Y314 HydrophobicContact CG-CD1 3.99Å; R277-Y314 HydrophobicContact CG-CE1 3.44Å; R277-Y314 VanDerWaalsContact CG-CE1 3.44Å; R277-Y314 PolarHBondContact NE-OH 3.42Å; R277-M339 CarbonylContact O-C 3.47Å; R277-M339 WeakPolarHBondContact O-CA 3.35Å; R277-R340 HydrophobicContact CB-CB 4.16Å; R277-R340 PolarHBondContact N-O 2.93Å; R277-R340 PolarHBondContact O-N 3.33Å
278	K	93.4	Very high	87.8	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.8	172.4	64.3	173	-167.8	58.9	0	110.8	L276 L281 T283 D308 V312 T313 G338	L276-K278 HydrophobicContact CG-CB 4.45Å; K278-L281 HydrophobicContact CB-CB 4.37Å; K278-L281 WeakPolarHBondContact CD-O 3.43Å; K278-L281 WeakPolarHBondContact CE-O 3.36Å; K278-L281 PolarHBondContact NZ-O 3.29Å; K278-T283 VanDerWaalsContact CE-OG1 3.27Å; K278-T283 WeakPolarHBondContact CE-OG1 3.31Å; K278-D308 PolarHBondContact NZ-O 3.36Å; K278-V312 WeakPolarHBondContact O-CA 3.48Å; K278-T313 WeakPolarHBondContact CE-OG1 3.47Å; K278-T313 WeakPolarHBondContact CG-OG1 3.34Å; K278-T313 PolarHBondContact N-O 3.21Å; K278-T313 PolarHBondContact NZ-OG1 2.86Å; K278-T313 PolarHBondContact O-N 3.01Å; K278-G338 WeakPolarHBondContact CA-O 3.47Å
279	E	92.8	Very high	89.3	Confident	62 Å²	62	35.8 Å²	35.8	29%	0.29	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.6	-176.6	-173.9	174.6	146.6	0	0	110.4	I37 R277 L281 V312 G338	I37-E279 HydrophobicContact CG2-CG 3.67Å; R277-E279 IonicContact CZ-OE2 2.76Å; R277-E279 IonicContact NH1-OE2 3.87Å; R277-E279 PolarHBondContact NH1-OE2 3.12Å; R277-E279 IonicContact NH2-OE2 3.2Å; R277-E279 PolarHBondContact NH2-OE2 3.18Å; E279-L281 PolarHBondContact O-N 3.47Å; E279-V312 HydrophobicContact CG-CG2 4.12Å; E279-G338 PolarHBondContact N-O 3.04Å
280	N	88.6	Confident	90.3	Very high	73 Å²	73	32.9 Å²	32.9	39%	0.39	16%	0.162	S	C	.	.	S	Bend	trans	51	29.3	-176.8	-162	28.4	0	0	0	115.3	I37 K309 A311	I37-N280 HydrophobicContact CD1-CB 3.61Å; I37-N280 HydrophobicContact CG1-CB 4.1Å; I37-N280 HydrophobicContact CG2-CB 4.28Å; N280-K309 CarbonylContact C-O 3.5Å; N280-K309 WeakPolarHBondContact CA-O 3.46Å; N280-K309 PolarHBondContact N-O 3.1Å; N280-A311 PolarHBondContact N-O 2.83Å
281	L	86.3	Confident	90.4	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.12	14%	0.143	C	C	.	.			trans	-126.6	139.4	-171.8	-173.4	64.2	0	0	0	110.6	K278 E279 E285 A286 K309 M339	K278-L281 HydrophobicContact CB-CB 4.37Å; K278-L281 WeakPolarHBondContact CD-O 3.43Å; K278-L281 WeakPolarHBondContact CE-O 3.36Å; K278-L281 PolarHBondContact NZ-O 3.29Å; E279-L281 PolarHBondContact O-N 3.47Å; L281-E285 HydrophobicContact CD1-CB 4.41Å; L281-E285 HydrophobicContact CD1-CG 4.04Å; L281-A286 HydrophobicContact CD2-CB 3.7Å; L281-A286 HydrophobicContact CG-CB 4.16Å; L281-K309 PolarHBondContact N-O 3.2Å; L281-M339 HydrophobicContact CD2-CE 4.45Å; L281-M339 HydrophobicContact CD2-CG 3.46Å; L281-M339 VanDerWaalsContact CD2-CG 3.46Å; L281-M339 HydrophobicContact CD2-SD 3.69Å
282	E	86.2	Confident	90.2	Very high	60 Å²	60	30.9 Å²	30.9	28%	0.28	17%	0.166	S	C	.	.			trans	-77.9	145	176.9	-165.6	-85.8	129.8	0	0	110.3	L284 E285 A286 K309	E282-L284 VanDerWaalsContact CD-N 3.33Å; E282-L284 WeakPolarHBondContact OE1-CB 3.48Å; E282-L284 WeakPolarHBondContact OE1-CG 3.39Å; E282-L284 PolarHBondContact OE1-N 3.05Å; E282-L284 WeakPolarHBondContact OE2-CB 3.23Å; E282-L284 PolarHBondContact OE2-N 3.22Å; E282-E285 HydrophobicContact CB-CB 4.05Å; E282-E285 PolarHBondContact O-N 3.06Å; E282-E285 PolarHBondContact OE2-N 2.75Å; E282-A286 WeakPolarHBondContact O-CB 3.4Å; E282-A286 PolarHBondContact O-N 3.23Å; E282-K309 HydrophobicContact CB-CD 4.42Å; E282-K309 HydrophobicContact CB-CG 4.45Å
283	T	87.7	Confident	90	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-68.4	-41.1	-170.1	-51.8	0	0	0	0	111.6	K278 A286 I287 K307 M317	K278-T283 VanDerWaalsContact CE-OG1 3.27Å; K278-T283 WeakPolarHBondContact CE-OG1 3.31Å; T283-A286 WeakPolarHBondContact O-CB 3.35Å; T283-A286 PolarHBondContact O-N 3.35Å; T283-I287 HydrophobicContact CG2-CD1 4.22Å; T283-I287 WeakPolarHBondContact O-CG1 3.27Å; T283-I287 PolarHBondContact O-N 3.44Å; T283-K307 PolarHBondContact OG1-N 2.96Å; T283-M317 HydrophobicContact CG2-CE 3.9Å
284	L	84.6	Confident	89.9	Confident	65 Å²	65	32.3 Å²	32.3	34%	0.34	18%	0.175	S	C	.	.	H	α-helix	trans	-73.3	-34.1	179.6	-58.2	175.9	0	0	0	111.9	E282 I287 S288 Y303 I306	E282-L284 VanDerWaalsContact CD-N 3.33Å; E282-L284 WeakPolarHBondContact OE1-CB 3.48Å; E282-L284 WeakPolarHBondContact OE1-CG 3.39Å; E282-L284 PolarHBondContact OE1-N 3.05Å; E282-L284 WeakPolarHBondContact OE2-CB 3.23Å; E282-L284 PolarHBondContact OE2-N 3.22Å; L284-I287 HydrophobicContact CD2-CD1 4.37Å; L284-I287 PolarHBondContact O-N 3.02Å; L284-S288 WeakPolarHBondContact O-CB 3.35Å; L284-S288 PolarHBondContact O-N 2.99Å; L284-S288 PolarHBondContact O-OG 3.37Å; L284-Y303 HydrophobicContact CD2-CE1 4.42Å; L284-Y303 WeakPolarHBondContact CD2-OH 3.46Å; L284-I306 HydrophobicContact CD1-CD1 4.47Å; L284-I306 HydrophobicContact CG-CD1 4.48Å
285	E	84.6	Confident	89.7	Confident	100 Å²	100	35.4 Å²	35.4	47%	0.467	21%	0.207	S	C	.	.	H	α-helix	trans	-59.3	-47.8	169.3	-173.1	177.7	-175.8	0	0	111.2	L281 E282 I287 S288 Y289	L281-E285 HydrophobicContact CD1-CB 4.41Å; L281-E285 HydrophobicContact CD1-CG 4.04Å; E282-E285 HydrophobicContact CB-CB 4.05Å; E282-E285 PolarHBondContact O-N 3.06Å; E282-E285 PolarHBondContact OE2-N 2.75Å; E285-I287 PolarHBondContact O-N 2.99Å; E285-S288 PolarHBondContact O-N 3.33Å; E285-Y289 PolarHBondContact O-N 3.28Å
286	A	88.8	Confident	89.6	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-48.1	175	0	0	0	0	0	111.8	L276 L281 E282 T283 S288 Y289 M290 M339	L276-A286 HydrophobicContact CD2-CB 4.45Å; L281-A286 HydrophobicContact CD2-CB 3.7Å; L281-A286 HydrophobicContact CG-CB 4.16Å; E282-A286 WeakPolarHBondContact O-CB 3.4Å; E282-A286 PolarHBondContact O-N 3.23Å; T283-A286 WeakPolarHBondContact O-CB 3.35Å; T283-A286 PolarHBondContact O-N 3.35Å; A286-S288 VanDerWaalsContact C-N 3.35Å; A286-S288 PolarHBondContact O-N 3.24Å; A286-Y289 PolarHBondContact O-N 2.89Å; A286-M290 WeakPolarHBondContact O-CB 3.16Å; A286-M290 VanDerWaalsContact O-CG 3.28Å; A286-M290 WeakPolarHBondContact O-CG 3.34Å; A286-M290 PolarHBondContact O-N 2.87Å; A286-M339 HydrophobicContact CB-CG 4.49Å; A286-M339 HydrophobicContact CB-SD 3.74Å
287	I	89.8	Confident	89.1	Confident	5 Å²	5	41 Å²	41	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-60.3	-44.5	177.1	-71.5	166.6	0	0	0	111.2	T283 L284 E285 Y289 M290 A291 P298 F301 Y303 M317	T283-I287 HydrophobicContact CG2-CD1 4.22Å; T283-I287 WeakPolarHBondContact O-CG1 3.27Å; T283-I287 PolarHBondContact O-N 3.44Å; L284-I287 HydrophobicContact CD2-CD1 4.37Å; L284-I287 PolarHBondContact O-N 3.02Å; E285-I287 PolarHBondContact O-N 2.99Å; I287-Y289 VanDerWaalsContact C-N 3.32Å; I287-Y289 PolarHBondContact O-N 3.19Å; I287-M290 PolarHBondContact O-N 3.16Å; I287-A291 WeakPolarHBondContact O-CB 3.38Å; I287-A291 PolarHBondContact O-N 2.86Å; I287-P298 HydrophobicContact CG2-CB 4.05Å; I287-F301 HydrophobicContact CD1-CB 4.35Å; I287-F301 HydrophobicContact CG1-CB 4.24Å; I287-F301 HydrophobicContact CG1-CG 4.39Å; I287-F301 HydrophobicContact CG2-CB 3.77Å; I287-F301 HydrophobicContact CG2-CD2 3.77Å; I287-F301 HydrophobicContact CG2-CG 3.83Å; I287-Y303 HydrophobicContact CD1-CD1 3.58Å; I287-Y303 HydrophobicContact CD1-CE1 3.43Å; I287-Y303 VanDerWaalsContact CD1-CE1 3.43Å; I287-M317 HydrophobicContact CD1-CE 3.92Å; I287-M317 HydrophobicContact CG1-CE 3.78Å
288	S	86	Confident	88.6	Confident	62 Å²	62	42.4 Å²	42.4	43%	0.434	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-41.5	-178.3	-60.2	0	0	0	0	111.4	L284 E285 A286 A292	L284-S288 WeakPolarHBondContact O-CB 3.35Å; L284-S288 PolarHBondContact O-N 2.99Å; L284-S288 PolarHBondContact O-OG 3.37Å; E285-S288 PolarHBondContact O-N 3.33Å; A286-S288 VanDerWaalsContact C-N 3.35Å; A286-S288 PolarHBondContact O-N 3.24Å; S288-A292 PolarHBondContact O-N 3.31Å; S288-A292 VanDerWaalsContact O-N 3.1Å
289	Y	88.9	Confident	88.2	Confident	72 Å²	72	46.8 Å²	46.8	28%	0.282	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-49.1	175.4	178.5	-104.5	0	0	0	112	E285 A286 I287 A291 A292 T293 F334 R337 M339	E285-Y289 PolarHBondContact O-N 3.28Å; A286-Y289 PolarHBondContact O-N 2.89Å; I287-Y289 VanDerWaalsContact C-N 3.32Å; I287-Y289 PolarHBondContact O-N 3.19Å; Y289-A291 VanDerWaalsContact C-N 3.29Å; Y289-A291 PolarHBondContact O-N 2.67Å; Y289-A292 PolarHBondContact O-N 3.34Å; Y289-T293 PolarHBondContact O-N 3.2Å; Y289-T293 PolarHBondContact O-OG1 3.24Å; Y289-F334 HydrophobicContact CD1-CD1 4.2Å; Y289-F334 AromaticContact CE1-CD1 3.87Å; Y289-F334 HydrophobicContact CE1-CD1 3.87Å; Y289-F334 HydrophobicContact CE1-CE1 4.38Å; Y289-R337 HydrophobicContact CE1-CB 4.24Å; Y289-R337 HydrophobicContact CE1-CG 3.92Å; Y289-M339 HydrophobicContact CD1-CE 3.27Å; Y289-M339 HydrophobicContact CD1-SD 4.4Å; Y289-M339 HydrophobicContact CE1-CE 3.55Å; Y289-M339 HydrophobicContact CG-CE 4.4Å
290	M	91.3	Very high	88.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-40.4	177.3	-69.9	-178.8	71.8	0	0	112	F274 L276 A286 I287 T293 L294 F301 L327 F334 M339 L341	F274-M290 HydrophobicContact CE2-CE 3.78Å; F274-M290 HydrophobicContact CE2-SD 4.47Å; F274-M290 HydrophobicContact CZ-CE 3.64Å; F274-M290 HydrophobicContact CZ-SD 4.44Å; L276-M290 HydrophobicContact CD1-SD 4.29Å; A286-M290 WeakPolarHBondContact O-CB 3.16Å; A286-M290 VanDerWaalsContact O-CG 3.28Å; A286-M290 WeakPolarHBondContact O-CG 3.34Å; A286-M290 PolarHBondContact O-N 2.87Å; I287-M290 PolarHBondContact O-N 3.16Å; M290-T293 PolarHBondContact O-N 2.99Å; M290-L294 VanDerWaalsContact O-CB 3.29Å; M290-L294 WeakPolarHBondContact O-CB 3.09Å; M290-L294 VanDerWaalsContact O-CG 3.28Å; M290-L294 WeakPolarHBondContact O-CG 3.44Å; M290-L294 PolarHBondContact O-N 3.11Å; M290-F301 HydrophobicContact CB-CE1 4.2Å; M290-F301 HydrophobicContact CB-CE2 4.37Å; M290-F301 HydrophobicContact CB-CZ 3.67Å; M290-F301 HydrophobicContact CE-CE1 3.97Å; M290-F301 HydrophobicContact CE-CZ 4.35Å; M290-F301 HydrophobicContact SD-CE1 4.34Å; M290-L327 HydrophobicContact CE-CD1 4.21Å; M290-F334 HydrophobicContact CB-CE1 4.21Å; M290-F334 HydrophobicContact CB-CZ 4.42Å; M290-F334 HydrophobicContact CE-CD2 4.39Å; M290-F334 HydrophobicContact CE-CE2 4.18Å; M290-F334 HydrophobicContact CE-CZ 4.45Å; M290-F334 HydrophobicContact CG-CD1 4.01Å; M290-F334 HydrophobicContact CG-CE1 3.89Å; M290-F334 HydrophobicContact CG-CG 4.49Å; M290-F334 HydrophobicContact CG-CZ 4.27Å; M290-M339 HydrophobicContact CG-SD 4.12Å; M290-M339 HydrophobicContact SD-SD 4.4Å; M290-L341 HydrophobicContact CE-CD1 4.03Å; M290-L341 HydrophobicContact CE-CD2 3.9Å
291	A	89.9	Confident	88.2	Confident	2 Å²	2	41.6 Å²	41.6	2%	0.017	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-44.7	176.8	0	0	0	0	0	111.9	I287 Y289 L294 G295 V296 P298 F301	I287-A291 WeakPolarHBondContact O-CB 3.38Å; I287-A291 PolarHBondContact O-N 2.86Å; Y289-A291 VanDerWaalsContact C-N 3.29Å; Y289-A291 PolarHBondContact O-N 2.67Å; A291-L294 PolarHBondContact O-N 2.93Å; A291-G295 PolarHBondContact O-N 3.15Å; A291-V296 CarbonylContact C-O 3.36Å; A291-V296 HydrophobicContact CB-CG2 4.29Å; A291-V296 WeakPolarHBondContact CB-O 3.24Å; A291-V296 PolarHBondContact O-N 3.46Å; A291-P298 HydrophobicContact CB-CB 4.5Å; A291-P298 HydrophobicContact CB-CG 4.01Å; A291-F301 HydrophobicContact CB-CD2 4.34Å; A291-F301 HydrophobicContact CB-CE2 3.84Å
292	A	88.6	Confident	88.4	Confident	79 Å²	79	42.1 Å²	42.1	65%	0.653	26%	0.259	S	S	*	.	H	α-helix	trans	-62.8	-47.4	176.3	0	0	0	0	0	112.1	S288 Y289 L294 G295	S288-A292 PolarHBondContact O-N 3.31Å; S288-A292 VanDerWaalsContact O-N 3.1Å; Y289-A292 PolarHBondContact O-N 3.34Å; A292-L294 VanDerWaalsContact C-N 3.33Å; A292-L294 PolarHBondContact O-N 3.02Å; A292-G295 PolarHBondContact O-N 2.87Å
293	T	90.2	Very high	88.6	Confident	30 Å²	30	41.1 Å²	41.1	18%	0.184	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-35.9	178.2	-65.8	0	0	0	0	112.7	Y289 M290 K330 E333 F334	Y289-T293 PolarHBondContact O-N 3.2Å; Y289-T293 PolarHBondContact O-OG1 3.24Å; M290-T293 PolarHBondContact O-N 2.99Å; T293-K330 HydrophobicContact CG2-CD 4.16Å; T293-K330 HydrophobicContact CG2-CG 4.38Å; T293-E333 VanDerWaalsContact CG2-CD 3.45Å; T293-E333 WeakPolarHBondContact CG2-OE1 3.38Å; T293-E333 WeakPolarHBondContact CG2-OE2 3.41Å; T293-E333 PolarHBondContact OG1-OE1 3.36Å; T293-F334 HydrophobicContact CG2-CE1 3.63Å; T293-F334 HydrophobicContact CG2-CZ 3.85Å
294	L	91.6	Very high	88.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-88.2	-4.5	179.6	-65.4	167.6	0	0	0	113.2	M290 A291 A292 V296 F301 V322 R326 L327 K330 F334	M290-L294 VanDerWaalsContact O-CB 3.29Å; M290-L294 WeakPolarHBondContact O-CB 3.09Å; M290-L294 VanDerWaalsContact O-CG 3.28Å; M290-L294 WeakPolarHBondContact O-CG 3.44Å; M290-L294 PolarHBondContact O-N 3.11Å; A291-L294 PolarHBondContact O-N 2.93Å; A292-L294 VanDerWaalsContact C-N 3.33Å; A292-L294 PolarHBondContact O-N 3.02Å; L294-V296 VanDerWaalsContact C-N 3.27Å; L294-V296 HydrophobicContact CB-CG2 4.08Å; L294-V296 PolarHBondContact O-N 2.98Å; L294-F301 HydrophobicContact CD1-CZ 3.96Å; L294-V322 HydrophobicContact CB-CG2 4.44Å; L294-V322 HydrophobicContact CD1-CG1 4.44Å; L294-V322 HydrophobicContact CD1-CG2 4.4Å; L294-V322 HydrophobicContact CD2-CG1 4.22Å; L294-R326 VanDerWaalsContact O-CZ 3.28Å; L294-R326 PolarHBondContact O-NH1 2.98Å; L294-R326 PolarHBondContact O-NH2 3.47Å; L294-L327 HydrophobicContact CD1-CD1 3.84Å; L294-L327 HydrophobicContact CD2-CD1 4.44Å; L294-K330 HydrophobicContact CD2-CB 4.27Å; L294-K330 HydrophobicContact CD2-CG 4.11Å; L294-F334 HydrophobicContact CD1-CZ 4.2Å; L294-F334 HydrophobicContact CD2-CZ 4.28Å; L294-F334 HydrophobicContact CG-CZ 4.02Å
295	G	89.9	Confident	88.5	Confident	66 Å²	66	39 Å²	39	68%	0.68	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	34.7	-176.8	0	0	0	0	0	113.4	A291 A292	A291-G295 PolarHBondContact O-N 3.15Å; A292-G295 PolarHBondContact O-N 2.87Å
296	V	92.1	Very high	88.6	Confident	21 Å²	21	38.8 Å²	38.8	13%	0.127	25%	0.248	C	C	.	.			trans	-117.8	170.8	176.6	-60.3	0	0	0	0	110.7	A291 L294 D300 F301 V319 V322	A291-V296 CarbonylContact C-O 3.36Å; A291-V296 HydrophobicContact CB-CG2 4.29Å; A291-V296 WeakPolarHBondContact CB-O 3.24Å; A291-V296 PolarHBondContact O-N 3.46Å; L294-V296 VanDerWaalsContact C-N 3.27Å; L294-V296 HydrophobicContact CB-CG2 4.08Å; L294-V296 PolarHBondContact O-N 2.98Å; V296-D300 HydrophobicContact CB-CB 4.44Å; V296-F301 HydrophobicContact CG2-CD2 4.47Å; V296-F301 HydrophobicContact CG2-CE2 3.71Å; V296-F301 HydrophobicContact CG2-CZ 4.44Å; V296-V319 HydrophobicContact CG2-CG2 4.35Å; V296-V322 HydrophobicContact CG1-CG2 3.69Å
297	L	85.4	Confident	88.6	Confident	101 Å²	101	39.4 Å²	39.4	53%	0.529	25%	0.25	S	S	.	.			trans	-82.3	146.7	177.5	-62.5	174	0	0	0	110.6	S299 D300	L297-S299 WeakPolarHBondContact CB-OG 3.49Å; L297-S299 PolarHBondContact O-N 2.85Å; L297-S299 VanDerWaalsContact O-N 3.12Å; L297-D300 PolarHBondContact N-OD2 2.91Å; L297-D300 VanDerWaalsContact O-CB 3.3Å; L297-D300 WeakPolarHBondContact O-CB 3.32Å; L297-D300 PolarHBondContact O-N 3.38Å
298	P	83.6	Confident	88.4	Confident	67 Å²	67	41.6 Å²	41.6	44%	0.435	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-55.4	-29.6	171	-27.8	35.9	0	0	0	113.2	I287 A291 D300 F301	I287-P298 HydrophobicContact CG2-CB 4.05Å; A291-P298 HydrophobicContact CB-CB 4.5Å; A291-P298 HydrophobicContact CB-CG 4.01Å; P298-D300 PolarHBondContact O-N 2.88Å; P298-F301 PolarHBondContact O-N 3.03Å
299	S	85.4	Confident	88.4	Confident	92 Å²	92	43.9 Å²	43.9	64%	0.643	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-71.1	-14.6	175.4	58.6	0	0	0	0	114.5	L297	L297-S299 WeakPolarHBondContact CB-OG 3.49Å; L297-S299 PolarHBondContact O-N 2.85Å; L297-S299 VanDerWaalsContact O-N 3.12Å
300	D	89.7	Confident	88.3	Confident	17 Å²	17	47 Å²	47	9%	0.091	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-77.7	-12.1	174.4	-70.5	-38.1	0	0	0	111.4	V296 L297 P298 K320 K321	V296-D300 HydrophobicContact CB-CB 4.44Å; L297-D300 PolarHBondContact N-OD2 2.91Å; L297-D300 VanDerWaalsContact O-CB 3.3Å; L297-D300 WeakPolarHBondContact O-CB 3.32Å; L297-D300 PolarHBondContact O-N 3.38Å; P298-D300 PolarHBondContact O-N 2.88Å; D300-K320 HydrophobicContact CB-CB 4.03Å; D300-K320 PolarHBondContact O-N 3.37Å; D300-K321 IonicContact OD1-NZ 2.95Å; D300-K321 PolarHBondContact OD1-NZ 3.34Å; D300-K321 IonicContact OD2-NZ 2.71Å; D300-K321 PolarHBondContact OD2-NZ 3.26Å
301	F	91.5	Very high	88.2	Confident	10 Å²	10	47 Å²	47	4%	0.044	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.1	170.5	-73.1	-95.4	0	0	0	111.4	F274 I287 M290 A291 L294 V296 P298 V318 V319	F274-F301 HydrophobicContact CE1-CE1 4.22Å; F274-F301 HydrophobicContact CZ-CD1 4.24Å; F274-F301 AromaticContact CZ-CE1 3.91Å; F274-F301 HydrophobicContact CZ-CE1 3.91Å; I287-F301 HydrophobicContact CD1-CB 4.35Å; I287-F301 HydrophobicContact CG1-CB 4.24Å; I287-F301 HydrophobicContact CG1-CG 4.39Å; I287-F301 HydrophobicContact CG2-CB 3.77Å; I287-F301 HydrophobicContact CG2-CD2 3.77Å; I287-F301 HydrophobicContact CG2-CG 3.83Å; M290-F301 HydrophobicContact CB-CE1 4.2Å; M290-F301 HydrophobicContact CB-CE2 4.37Å; M290-F301 HydrophobicContact CB-CZ 3.67Å; M290-F301 HydrophobicContact CE-CE1 3.97Å; M290-F301 HydrophobicContact CE-CZ 4.35Å; M290-F301 HydrophobicContact SD-CE1 4.34Å; A291-F301 HydrophobicContact CB-CD2 4.34Å; A291-F301 HydrophobicContact CB-CE2 3.84Å; L294-F301 HydrophobicContact CD1-CZ 3.96Å; V296-F301 HydrophobicContact CG2-CD2 4.47Å; V296-F301 HydrophobicContact CG2-CE2 3.71Å; V296-F301 HydrophobicContact CG2-CZ 4.44Å; P298-F301 PolarHBondContact O-N 3.03Å; F301-V318 CarbonylContact C-O 3.5Å; F301-V318 WeakPolarHBondContact CA-O 3.45Å; F301-V319 HydrophobicContact CD1-CB 3.93Å; F301-V319 HydrophobicContact CD1-CG2 4.15Å; F301-V319 HydrophobicContact CD2-CG2 4.25Å; F301-V319 HydrophobicContact CE1-CB 3.77Å; F301-V319 HydrophobicContact CE1-CG2 3.83Å; F301-V319 HydrophobicContact CE2-CG2 3.94Å; F301-V319 HydrophobicContact CG-CB 4.49Å; F301-V319 HydrophobicContact CG-CG2 4.36Å; F301-V319 HydrophobicContact CZ-CB 4.2Å; F301-V319 HydrophobicContact CZ-CG2 3.72Å
302	T	91	Very high	88.4	Confident	33 Å²	33	47.1 Å²	47.1	20%	0.202	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.4	178.9	59.5	0	0	0	0	110.5	V318 P350 L351	T302-V318 PolarHBondContact N-O 2.81Å; T302-V318 PolarHBondContact O-N 3.35Å; T302-V318 WeakPolarHBondContact OG1-CB 3.42Å; T302-V318 PolarHBondContact OG1-O 3.25Å; T302-V318 VanDerWaalsContact OG1-O 3.12Å; T302-P350 HydrophobicContact CG2-CB 3.94Å; T302-L351 WeakPolarHBondContact CB-O 3.42Å; T302-L351 PolarHBondContact OG1-N 3.32Å; T302-L351 VanDerWaalsContact OG1-N 3.16Å
303	Y	91.1	Very high	88.6	Confident	40 Å²	40	43.3 Å²	43.3	16%	0.157	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	159.5	-172.6	53.1	-94.3	0	0	0	110.7	L284 I287 I306 M317 L353	L284-Y303 HydrophobicContact CD2-CE1 4.42Å; L284-Y303 WeakPolarHBondContact CD2-OH 3.46Å; I287-Y303 HydrophobicContact CD1-CD1 3.58Å; I287-Y303 HydrophobicContact CD1-CE1 3.43Å; I287-Y303 VanDerWaalsContact CD1-CE1 3.43Å; Y303-I306 HydrophobicContact CE2-CG1 3.78Å; Y303-M317 VanDerWaalsContact CB-SD 3.5Å; Y303-M317 HydrophobicContact CD1-SD 4.39Å; Y303-M317 HydrophobicContact CG-SD 4.31Å; Y303-L353 HydrophobicContact CD2-CD2 3.77Å; Y303-L353 HydrophobicContact CE2-CD2 3.55Å; Y303-L353 WeakPolarHBondContact O-CD2 3.42Å
304	A	86	Confident	88.8	Confident	6 Å²	6	43.6 Å²	43.6	5%	0.05	24%	0.242	C	C	.	.	S	Bend	trans	-81.7	-33	179.9	0	0	0	0	0	112.4	G354 L356	A304-G354 PolarHBondContact O-N 3.39Å; A304-L356 HydrophobicContact CB-CB 3.9Å; A304-L356 HydrophobicContact CB-CD2 3.72Å; A304-L356 HydrophobicContact CB-CG 4.39Å; A304-L356 WeakPolarHBondContact O-CD2 3.45Å
305	G	84.1	Confident	89	Confident	14 Å²	14	43.5 Å²	43.5	14%	0.144	24%	0.242	C	C	.	.			trans	-166.9	165.5	176.1	0	0	0	0	0	113.2
306	I	85.3	Confident	89.1	Confident	95 Å²	95	41.1 Å²	41.1	49%	0.487	22%	0.215	S	C	.	.			trans	-84.4	142.6	173.5	-63	171	0	0	0	108.4	L284 Y303	L284-I306 HydrophobicContact CD1-CD1 4.47Å; L284-I306 HydrophobicContact CG-CD1 4.48Å; Y303-I306 HydrophobicContact CE2-CG1 3.78Å
307	K	88.9	Confident	89.2	Confident	15 Å²	15	40.1 Å²	40.1	7%	0.065	21%	0.209	C	C	.	.			trans	-113.8	160.7	176.8	-49	-62	-179.5	-167.2	0	111.8	E44 T283 T313 Q315 N359	E44-K307 WeakPolarHBondContact OE2-CE 3.28Å; E44-K307 IonicContact OE2-NZ 2.87Å; E44-K307 PolarHBondContact OE2-NZ 2.86Å; T283-K307 PolarHBondContact OG1-N 2.96Å; K307-T313 HydrophobicContact CB-CG2 3.76Å; K307-Q315 HydrophobicContact CG-CB 4.21Å; K307-Q315 VanDerWaalsContact CG-OE1 3.23Å; K307-N359 PolarHBondContact NZ-OD1 3.45Å
308	D	85.2	Confident	89.6	Confident	50 Å²	50	35.5 Å²	35.5	27%	0.267	19%	0.185	S	C	.	.			trans	-49	138.1	178.8	-73.6	-105.4	0	0	0	113.4	K34 K278 A311	K34-D308 IonicContact NZ-OD1 2.91Å; K34-D308 PolarHBondContact NZ-OD1 3.43Å; K278-D308 PolarHBondContact NZ-O 3.36Å; D308-A311 HydrophobicContact CB-CB 3.8Å
309	K	86.1	Confident	90.2	Very high	110 Å²	110	32.3 Å²	32.3	48%	0.478	16%	0.164	S	C	.	.	S	Bend	trans	-67.1	-57.5	171.9	177	180	176.4	174.9	0	111	N280 L281 E282 A311	N280-K309 CarbonylContact C-O 3.5Å; N280-K309 WeakPolarHBondContact CA-O 3.46Å; N280-K309 PolarHBondContact N-O 3.1Å; L281-K309 PolarHBondContact N-O 3.2Å; E282-K309 HydrophobicContact CB-CD 4.42Å; E282-K309 HydrophobicContact CB-CG 4.45Å; K309-A311 VanDerWaalsContact C-N 3.26Å; K309-A311 PolarHBondContact O-N 3.37Å
310	R	86.9	Confident	90.5	Very high	138 Å²	138	29.8 Å²	29.8	52%	0.521	14%	0.142	S	C	.	.	S	Bend	trans	-79.6	69.8	-178.8	-70	-176	64.2	-154.7	-2	111	K34	K34-R310 HydrophobicContact CD-CB 4.34Å; K34-R310 PolarHBondContact O-NH2 3.01Å
311	A	89.6	Confident	90.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-165.6	163.3	-179.4	0	0	0	0	0	110.4	F40 V42 N280 D308 K309 T313	F40-A311 HydrophobicContact CB-CB 4.45Å; F40-A311 HydrophobicContact CD1-CB 3.64Å; F40-A311 HydrophobicContact CE1-CB 4.42Å; F40-A311 HydrophobicContact CG-CB 4.46Å; F40-A311 VanDerWaalsContact O-CA 3.28Å; F40-A311 WeakPolarHBondContact O-CA 3.36Å; F40-A311 VanDerWaalsContact O-CB 3.27Å; F40-A311 WeakPolarHBondContact O-CB 3.31Å; V42-A311 HydrophobicContact CG2-CB 4.39Å; N280-A311 PolarHBondContact N-O 2.83Å; D308-A311 HydrophobicContact CB-CB 3.8Å; K309-A311 VanDerWaalsContact C-N 3.26Å; K309-A311 PolarHBondContact O-N 3.37Å; A311-T313 HydrophobicContact CB-CG2 3.58Å
312	V	93.4	Very high	90.5	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.024	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.5	156.7	-179.7	0	0	0	0	107.3	I37 F40 V41 V42 R277 K278 E279 Y314	I37-V312 HydrophobicContact CG2-CG2 4.14Å; F40-V312 PolarHBondContact O-N 3.14Å; V41-V312 CarbonylContact C-O 3.52Å; V41-V312 VanDerWaalsContact CA-O 3.28Å; V41-V312 WeakPolarHBondContact CA-O 3.17Å; V41-V312 HydrophobicContact CG1-CB 4.47Å; V41-V312 HydrophobicContact CG2-CB 4.32Å; V42-V312 PolarHBondContact N-O 2.95Å; R277-V312 HydrophobicContact CG-CG1 4.17Å; K278-V312 WeakPolarHBondContact O-CA 3.48Å; E279-V312 HydrophobicContact CG-CG2 4.12Å; V312-Y314 HydrophobicContact CG1-CE2 3.82Å
313	T	94.4	Very high	90.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	-174.9	71.3	0	0	0	0	112.3	V42 R277 K278 K307 A311	V42-T313 HydrophobicContact CB-CG2 4.1Å; V42-T313 HydrophobicContact CG2-CG2 4.34Å; V42-T313 CarbonylContact O-C 3.58Å; V42-T313 VanDerWaalsContact O-CA 3.24Å; V42-T313 WeakPolarHBondContact O-CA 3.35Å; R277-T313 CarbonylContact C-O 3.56Å; R277-T313 VanDerWaalsContact CA-O 3.28Å; R277-T313 WeakPolarHBondContact CA-O 3.13Å; K278-T313 WeakPolarHBondContact CE-OG1 3.47Å; K278-T313 WeakPolarHBondContact CG-OG1 3.34Å; K278-T313 PolarHBondContact N-O 3.21Å; K278-T313 PolarHBondContact NZ-OG1 2.86Å; K278-T313 PolarHBondContact O-N 3.01Å; K307-T313 HydrophobicContact CB-CG2 3.76Å; A311-T313 HydrophobicContact CB-CG2 3.58Å
314	Y	94.5	Very high	90.6	Very high	35 Å²	35	33.4 Å²	33.4	14%	0.137	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.7	174.2	-58	-92.5	0	0	0	109.4	V41 V42 E44 T54 L276 R277 V312	V41-Y314 HydrophobicContact CG1-CD2 4.13Å; V41-Y314 HydrophobicContact CG1-CE2 3.72Å; V42-Y314 PolarHBondContact O-N 3.07Å; E44-Y314 WeakPolarHBondContact CB-O 3.22Å; E44-Y314 PolarHBondContact N-O 3.01Å; T54-Y314 HydrophobicContact CG2-CD1 3.93Å; T54-Y314 HydrophobicContact CG2-CD2 4.11Å; T54-Y314 HydrophobicContact CG2-CE1 3.55Å; T54-Y314 HydrophobicContact CG2-CE2 3.75Å; T54-Y314 HydrophobicContact CG2-CG 4.2Å; T54-Y314 VanDerWaalsContact CG2-CZ 3.47Å; L276-Y314 WeakPolarHBondContact O-CA 3.46Å; R277-Y314 HydrophobicContact CB-CD1 3.77Å; R277-Y314 HydrophobicContact CB-CE1 3.61Å; R277-Y314 WeakPolarHBondContact CD-OH 3.35Å; R277-Y314 HydrophobicContact CG-CD1 3.99Å; R277-Y314 HydrophobicContact CG-CE1 3.44Å; R277-Y314 VanDerWaalsContact CG-CE1 3.44Å; R277-Y314 PolarHBondContact NE-OH 3.42Å; V312-Y314 HydrophobicContact CG1-CE2 3.82Å
315	Q	94.1	Very high	90.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.9	178.9	64.3	179.4	81.3	0	0	111.8	E44 T275 L276 K307 M317	E44-Q315 HydrophobicContact CB-CB 4.49Å; T275-Q315 WeakPolarHBondContact CA-O 3.47Å; L276-Q315 HydrophobicContact CB-CG 4.19Å; L276-Q315 PolarHBondContact N-O 3.44Å; L276-Q315 PolarHBondContact O-N 3.15Å; K307-Q315 HydrophobicContact CG-CB 4.21Å; K307-Q315 VanDerWaalsContact CG-OE1 3.23Å; Q315-M317 HydrophobicContact CG-CG 4.27Å; Q315-M317 HydrophobicContact CG-SD 4.4Å; Q315-M317 PolarHBondContact NE2-SD 2.85Å
316	S	93.4	Very high	91.3	Very high	16 Å²	16	44.1 Å²	44.1	11%	0.112	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	136.7	172	-163.6	0	0	0	0	110.5	E44 L351	E44-S316 WeakPolarHBondContact OE1-CB 3.47Å; E44-S316 PolarHBondContact OE1-N 3.01Å; S316-L351 WeakPolarHBondContact O-CD1 3.44Å
317	M	93.8	Very high	91.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	146.8	-179.8	-66.4	-70.2	-134.2	0	0	109.3	A273 F274 L276 T283 I287 Y303 Q315	A273-M317 CarbonylContact C-O 3.57Å; A273-M317 VanDerWaalsContact CA-O 3.3Å; A273-M317 WeakPolarHBondContact CA-O 3.16Å; F274-M317 HydrophobicContact CD1-CB 4.06Å; F274-M317 HydrophobicContact CD2-CB 3.99Å; F274-M317 HydrophobicContact CE1-CB 3.58Å; F274-M317 HydrophobicContact CE2-CB 3.51Å; F274-M317 HydrophobicContact CE2-CG 3.86Å; F274-M317 HydrophobicContact CG-CB 4.25Å; F274-M317 HydrophobicContact CZ-CB 3.28Å; F274-M317 HydrophobicContact CZ-CG 3.93Å; F274-M317 PolarHBondContact N-O 2.99Å; F274-M317 PolarHBondContact O-N 2.91Å; L276-M317 HydrophobicContact CB-CG 3.81Å; L276-M317 HydrophobicContact CD2-CE 3.51Å; L276-M317 HydrophobicContact CD2-CG 4.33Å; T283-M317 HydrophobicContact CG2-CE 3.9Å; I287-M317 HydrophobicContact CD1-CE 3.92Å; I287-M317 HydrophobicContact CG1-CE 3.78Å; Y303-M317 VanDerWaalsContact CB-SD 3.5Å; Y303-M317 HydrophobicContact CD1-SD 4.39Å; Y303-M317 HydrophobicContact CG-SD 4.31Å; Q315-M317 HydrophobicContact CG-CG 4.27Å; Q315-M317 HydrophobicContact CG-SD 4.4Å; Q315-M317 PolarHBondContact NE2-SD 2.85Å
318	V	94.5	Very high	91.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.8	170	171.3	0	0	0	0	109	Y271 T272 A273 F301 T302 V347 L351	Y271-V318 HydrophobicContact CD1-CG1 3.96Å; Y271-V318 HydrophobicContact CG-CG1 4.35Å; T272-V318 WeakPolarHBondContact O-CA 3.44Å; A273-V318 HydrophobicContact CB-CG2 3.78Å; F301-V318 CarbonylContact C-O 3.5Å; F301-V318 WeakPolarHBondContact CA-O 3.45Å; T302-V318 PolarHBondContact N-O 2.81Å; T302-V318 PolarHBondContact O-N 3.35Å; T302-V318 WeakPolarHBondContact OG1-CB 3.42Å; T302-V318 PolarHBondContact OG1-O 3.25Å; T302-V318 VanDerWaalsContact OG1-O 3.12Å; V318-V347 HydrophobicContact CG1-CG2 4.09Å; V318-V347 HydrophobicContact CG2-CG2 4.08Å; V318-L351 HydrophobicContact CB-CD1 4.26Å; V318-L351 HydrophobicContact CB-CG 4.4Å; V318-L351 HydrophobicContact CG2-CB 4.44Å; V318-L351 HydrophobicContact CG2-CD1 3.68Å; V318-L351 HydrophobicContact CG2-CG 3.75Å
319	V	94.4	Very high	92.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.4	175.2	60.3	0	0	0	0	110.4	Y271 T272 F274 V296 F301 V322 L327	Y271-V319 WeakPolarHBondContact CA-O 3.44Å; T272-V319 PolarHBondContact N-O 3.36Å; T272-V319 PolarHBondContact O-N 2.81Å; F274-V319 HydrophobicContact CD1-CG1 4.35Å; F274-V319 HydrophobicContact CE1-CB 4.18Å; F274-V319 HydrophobicContact CE1-CG1 3.91Å; V296-V319 HydrophobicContact CG2-CG2 4.35Å; F301-V319 HydrophobicContact CD1-CB 3.93Å; F301-V319 HydrophobicContact CD1-CG2 4.15Å; F301-V319 HydrophobicContact CD2-CG2 4.25Å; F301-V319 HydrophobicContact CE1-CB 3.77Å; F301-V319 HydrophobicContact CE1-CG2 3.83Å; F301-V319 HydrophobicContact CE2-CG2 3.94Å; F301-V319 HydrophobicContact CG-CB 4.49Å; F301-V319 HydrophobicContact CG-CG2 4.36Å; F301-V319 HydrophobicContact CZ-CB 4.2Å; F301-V319 HydrophobicContact CZ-CG2 3.72Å; V319-V322 HydrophobicContact CG1-CB 3.91Å; V319-V322 HydrophobicContact CG1-CG1 4.4Å; V319-V322 HydrophobicContact CG1-CG2 4.4Å; V319-V322 HydrophobicContact CG2-CB 4.14Å; V319-V322 HydrophobicContact CG2-CG2 3.72Å; V319-L327 HydrophobicContact CG1-CD2 4.49Å
320	K	92.9	Very high	92.3	Very high	39 Å²	39	47.8 Å²	47.8	17%	0.17	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	148.5	175.9	-162.1	-171.2	177.4	177.7	0	111.2	D269 I270 Y271 D300 V322	D269-K320 VanDerWaalsContact CB-CE 3.49Å; D269-K320 WeakPolarHBondContact OD1-CE 3.48Å; D269-K320 IonicContact OD1-NZ 3.24Å; D269-K320 PolarHBondContact OD1-NZ 3.04Å; D269-K320 VanDerWaalsContact OD1-NZ 3.12Å; D269-K320 WeakPolarHBondContact OD2-CE 3.5Å; D269-K320 IonicContact OD2-NZ 3.89Å; D269-K320 PolarHBondContact OD2-NZ 3.29Å; I270-K320 CarbonylContact O-C 3.44Å; Y271-K320 HydrophobicContact CD1-CB 4.13Å; Y271-K320 HydrophobicContact CD1-CG 4.02Å; Y271-K320 HydrophobicContact CE1-CB 4.04Å; Y271-K320 HydrophobicContact CE1-CD 4.06Å; Y271-K320 HydrophobicContact CE1-CG 3.61Å; D300-K320 HydrophobicContact CB-CB 4.03Å; D300-K320 PolarHBondContact O-N 3.37Å; K320-V322 PolarHBondContact O-N 3.28Å
321	K	89.9	Confident	92.5	Very high	106 Å²	106	42.1 Å²	42.1	46%	0.461	20%	0.198	S	C	.	.	S	Bend	trans	65.6	15.2	174.5	-45.7	174.1	-168.9	134.9	0	115.2	I270 D300	I270-K321 PolarHBondContact O-N 3.25Å; D300-K321 IonicContact OD1-NZ 2.95Å; D300-K321 PolarHBondContact OD1-NZ 3.34Å; D300-K321 IonicContact OD2-NZ 2.71Å; D300-K321 PolarHBondContact OD2-NZ 3.26Å
322	V	91.3	Very high	92.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.			trans	-122.3	127.4	178.8	179.9	0	0	0	0	107.4	T272 L294 V296 V319 K320 R326 L327	T272-V322 WeakPolarHBondContact CB-O 3.36Å; T272-V322 PolarHBondContact OG1-O 3.35Å; L294-V322 HydrophobicContact CB-CG2 4.44Å; L294-V322 HydrophobicContact CD1-CG1 4.44Å; L294-V322 HydrophobicContact CD1-CG2 4.4Å; L294-V322 HydrophobicContact CD2-CG1 4.22Å; V296-V322 HydrophobicContact CG1-CG2 3.69Å; V319-V322 HydrophobicContact CG1-CB 3.91Å; V319-V322 HydrophobicContact CG1-CG1 4.4Å; V319-V322 HydrophobicContact CG1-CG2 4.4Å; V319-V322 HydrophobicContact CG2-CB 4.14Å; V319-V322 HydrophobicContact CG2-CG2 3.72Å; K320-V322 PolarHBondContact O-N 3.28Å; V322-R326 HydrophobicContact CG1-CB 4.29Å; V322-R326 HydrophobicContact CG1-CG 4.43Å; V322-L327 HydrophobicContact CG1-CB 4.19Å
323	S	91.8	Very high	92.4	Very high	39 Å²	39	47.7 Å²	47.7	27%	0.273	24%	0.235	S	C	.	.			trans	-77.8	154.9	176.4	68.5	0	0	0	0	111.5	Q325 R326 L327	S323-Q325 PolarHBondContact O-N 3.46Å; S323-R326 PolarHBondContact O-N 3.08Å; S323-R326 WeakPolarHBondContact OG-CB 3.48Å; S323-R326 PolarHBondContact OG-N 2.86Å; S323-L327 PolarHBondContact O-N 3.27Å; S323-L327 VanDerWaalsContact O-N 3.14Å
324	P	93.3	Very high	92.3	Very high	30 Å²	30	47.7 Å²	47.7	20%	0.195	24%	0.235	C	C	.	.	H	α-helix	trans	-55.1	-36.4	174.8	-30.4	38.5	0	0	0	113.9	T272 K328 I344	T272-P324 HydrophobicContact CG2-CB 4.4Å; T272-P324 HydrophobicContact CG2-CG 4.13Å; T272-P324 VanDerWaalsContact OG1-CD 3.25Å; T272-P324 WeakPolarHBondContact OG1-CD 3.29Å; P324-K328 VanDerWaalsContact O-CG 3.31Å; P324-K328 WeakPolarHBondContact O-CG 3.37Å; P324-K328 PolarHBondContact O-N 2.85Å; P324-K328 VanDerWaalsContact O-N 3.12Å; P324-I344 HydrophobicContact CB-CG2 3.88Å
325	Q	91.8	Very high	92.1	Very high	144 Å²	144	50.7 Å²	50.7	67%	0.673	25%	0.25	S	C	*	.	H	α-helix	trans	-66.3	-49.7	179	-72	172.8	-12.3	0	0	111.4	S323 L327 K328 E329	S323-Q325 PolarHBondContact O-N 3.46Å; Q325-L327 VanDerWaalsContact C-N 3.26Å; Q325-L327 PolarHBondContact O-N 3.09Å; Q325-K328 WeakPolarHBondContact O-CB 3.44Å; Q325-K328 PolarHBondContact O-N 3.37Å; Q325-E329 WeakPolarHBondContact O-CG 3.2Å; Q325-E329 PolarHBondContact O-N 2.92Å
326	R	91.3	Very high	91.8	Very high	101 Å²	101	59.4 Å²	59.4	38%	0.381	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-37.3	178.2	-172.6	175.8	-177.3	-150.8	-4.1	112.4	L294 V322 S323 K330	L294-R326 VanDerWaalsContact O-CZ 3.28Å; L294-R326 PolarHBondContact O-NH1 2.98Å; L294-R326 PolarHBondContact O-NH2 3.47Å; V322-R326 HydrophobicContact CG1-CB 4.29Å; V322-R326 HydrophobicContact CG1-CG 4.43Å; S323-R326 PolarHBondContact O-N 3.08Å; S323-R326 WeakPolarHBondContact OG-CB 3.48Å; S323-R326 PolarHBondContact OG-N 2.86Å; R326-K330 PolarHBondContact O-N 3.31Å
327	L	92.4	Very high	91.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.3	-36.8	176.5	-168.5	64.7	0	0	0	112.1	T272 F274 M290 L294 V319 V322 S323 Q325 A331 F334 L341 I344	T272-L327 HydrophobicContact CG2-CD2 3.84Å; F274-L327 HydrophobicContact CB-CD2 4.01Å; F274-L327 HydrophobicContact CD1-CD2 3.5Å; F274-L327 VanDerWaalsContact CD1-CD2 3.5Å; F274-L327 HydrophobicContact CD2-CD2 4.5Å; F274-L327 HydrophobicContact CE1-CD2 4.05Å; F274-L327 HydrophobicContact CG-CD2 3.76Å; M290-L327 HydrophobicContact CE-CD1 4.21Å; L294-L327 HydrophobicContact CD1-CD1 3.84Å; L294-L327 HydrophobicContact CD2-CD1 4.44Å; V319-L327 HydrophobicContact CG1-CD2 4.49Å; V322-L327 HydrophobicContact CG1-CB 4.19Å; S323-L327 PolarHBondContact O-N 3.27Å; S323-L327 VanDerWaalsContact O-N 3.14Å; Q325-L327 VanDerWaalsContact C-N 3.26Å; Q325-L327 PolarHBondContact O-N 3.09Å; L327-A331 PolarHBondContact O-N 3.35Å; L327-F334 HydrophobicContact CD1-CE2 4.12Å; L327-L341 HydrophobicContact CD1-CD1 3.64Å; L327-L341 HydrophobicContact CD2-CD1 4.19Å; L327-L341 HydrophobicContact CG-CD1 3.69Å; L327-I344 HydrophobicContact CB-CG2 4.4Å; L327-I344 HydrophobicContact CD2-CD1 4.23Å; L327-I344 HydrophobicContact CD2-CG1 4.21Å; L327-I344 HydrophobicContact CD2-CG2 4.01Å; L327-I344 HydrophobicContact CG-CD1 4.19Å
328	K	92.5	Very high	91.1	Very high	126 Å²	126	67.9 Å²	67.9	55%	0.548	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-43.9	175.1	-75.7	173	-178.9	-176.6	0	112.1	P324 Q325 K330 A331 I344	P324-K328 VanDerWaalsContact O-CG 3.31Å; P324-K328 WeakPolarHBondContact O-CG 3.37Å; P324-K328 PolarHBondContact O-N 2.85Å; P324-K328 VanDerWaalsContact O-N 3.12Å; Q325-K328 WeakPolarHBondContact O-CB 3.44Å; Q325-K328 PolarHBondContact O-N 3.37Å; K328-K330 PolarHBondContact O-N 2.97Å; K328-A331 VanDerWaalsContact O-CB 3.23Å; K328-A331 WeakPolarHBondContact O-CB 3.35Å; K328-A331 PolarHBondContact O-N 3.12Å; K328-A331 VanDerWaalsContact O-N 3.08Å; K328-I344 HydrophobicContact CG-CD1 3.6Å
329	E	92.4	Very high	91	Very high	146 Å²	146	67.7 Å²	67.7	68%	0.682	32%	0.324	S	S	*	.	H	α-helix	trans	-57.1	-37.6	177.2	-72	164.8	-166.8	0	0	112.3	Q325	Q325-E329 WeakPolarHBondContact O-CG 3.2Å; Q325-E329 PolarHBondContact O-N 2.92Å
330	K	90.4	Very high	91	Very high	76 Å²	76	74.2 Å²	74.2	33%	0.33	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5	179.2	-67.4	-57.4	-160.8	166.8	0	114.5	T293 L294 R326 K328 A332 E333 F334	T293-K330 HydrophobicContact CG2-CD 4.16Å; T293-K330 HydrophobicContact CG2-CG 4.38Å; L294-K330 HydrophobicContact CD2-CB 4.27Å; L294-K330 HydrophobicContact CD2-CG 4.11Å; R326-K330 PolarHBondContact O-N 3.31Å; K328-K330 PolarHBondContact O-N 2.97Å; K330-A332 VanDerWaalsContact C-N 3.33Å; K330-A332 PolarHBondContact O-N 3.21Å; K330-E333 WeakPolarHBondContact CD-OE2 3.39Å; K330-E333 IonicContact NZ-OE2 2.98Å; K330-E333 PolarHBondContact NZ-OE2 2.93Å; K330-E333 WeakPolarHBondContact O-CB 3.38Å; K330-E333 PolarHBondContact O-N 2.84Å; K330-F334 HydrophobicContact CB-CD2 4.47Å; K330-F334 HydrophobicContact CB-CE2 3.68Å; K330-F334 HydrophobicContact CB-CZ 3.88Å; K330-F334 VanDerWaalsContact O-CD2 3.22Å; K330-F334 WeakPolarHBondContact O-CD2 3.41Å; K330-F334 PolarHBondContact O-N 3.49Å
331	A	90.8	Very high	91	Very high	18 Å²	18	73.4 Å²	73.4	15%	0.149	35%	0.346	C	S	.	.	H	α-helix	trans	-56.4	-45.1	-176.1	0	0	0	0	0	112.4	L327 K328 E333 F334 E335	L327-A331 PolarHBondContact O-N 3.35Å; K328-A331 VanDerWaalsContact O-CB 3.23Å; K328-A331 WeakPolarHBondContact O-CB 3.35Å; K328-A331 PolarHBondContact O-N 3.12Å; K328-A331 VanDerWaalsContact O-N 3.08Å; A331-E333 PolarHBondContact O-N 2.92Å; A331-F334 PolarHBondContact O-N 3.43Å; A331-F334 VanDerWaalsContact O-N 3.08Å; A331-E335 WeakPolarHBondContact O-CG 3.47Å; A331-E335 PolarHBondContact O-N 3.33Å; A331-E335 VanDerWaalsContact O-N 3.12Å
332	A	89.8	Confident	91.1	Very high	63 Å²	63	69.8 Å²	69.8	52%	0.521	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-26.7	179.2	0	0	0	0	0	113.8	K330	K330-A332 VanDerWaalsContact C-N 3.33Å; K330-A332 PolarHBondContact O-N 3.21Å
333	E	91.8	Very high	91	Very high	58 Å²	58	74 Å²	74	27%	0.271	35%	0.354	S	S	.	.	H	α-helix	trans	-70.4	-40.4	174.8	-165.7	-177.1	142.6	0	0	110.7	T293 K330 A331 K336	T293-E333 VanDerWaalsContact CG2-CD 3.45Å; T293-E333 WeakPolarHBondContact CG2-OE1 3.38Å; T293-E333 WeakPolarHBondContact CG2-OE2 3.41Å; T293-E333 PolarHBondContact OG1-OE1 3.36Å; K330-E333 WeakPolarHBondContact CD-OE2 3.39Å; K330-E333 IonicContact NZ-OE2 2.98Å; K330-E333 PolarHBondContact NZ-OE2 2.93Å; K330-E333 WeakPolarHBondContact O-CB 3.38Å; K330-E333 PolarHBondContact O-N 2.84Å; A331-E333 PolarHBondContact O-N 2.92Å; E333-K336 PolarHBondContact O-N 3.22Å
334	F	91.3	Very high	91.1	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-69.3	-33.7	178.5	-55.9	-45.9	0	0	0	112.7	Y289 M290 T293 L294 L327 K330 A331 K336 R337 M339 L341	Y289-F334 HydrophobicContact CD1-CD1 4.2Å; Y289-F334 AromaticContact CE1-CD1 3.87Å; Y289-F334 HydrophobicContact CE1-CD1 3.87Å; Y289-F334 HydrophobicContact CE1-CE1 4.38Å; M290-F334 HydrophobicContact CB-CE1 4.21Å; M290-F334 HydrophobicContact CB-CZ 4.42Å; M290-F334 HydrophobicContact CE-CD2 4.39Å; M290-F334 HydrophobicContact CE-CE2 4.18Å; M290-F334 HydrophobicContact CE-CZ 4.45Å; M290-F334 HydrophobicContact CG-CD1 4.01Å; M290-F334 HydrophobicContact CG-CE1 3.89Å; M290-F334 HydrophobicContact CG-CG 4.49Å; M290-F334 HydrophobicContact CG-CZ 4.27Å; T293-F334 HydrophobicContact CG2-CE1 3.63Å; T293-F334 HydrophobicContact CG2-CZ 3.85Å; L294-F334 HydrophobicContact CD1-CZ 4.2Å; L294-F334 HydrophobicContact CD2-CZ 4.28Å; L294-F334 HydrophobicContact CG-CZ 4.02Å; L327-F334 HydrophobicContact CD1-CE2 4.12Å; K330-F334 HydrophobicContact CB-CD2 4.47Å; K330-F334 HydrophobicContact CB-CE2 3.68Å; K330-F334 HydrophobicContact CB-CZ 3.88Å; K330-F334 VanDerWaalsContact O-CD2 3.22Å; K330-F334 WeakPolarHBondContact O-CD2 3.41Å; K330-F334 PolarHBondContact O-N 3.49Å; A331-F334 PolarHBondContact O-N 3.43Å; A331-F334 VanDerWaalsContact O-N 3.08Å; F334-K336 PolarHBondContact O-N 2.9Å; F334-R337 PolarHBondContact O-N 3.06Å; F334-M339 CarbonylContact C-O 3.54Å; F334-M339 HydrophobicContact CB-CB 4.03Å; F334-M339 HydrophobicContact CB-CE 4.07Å; F334-M339 HydrophobicContact CD1-CE 4.22Å; F334-M339 PolarHBondContact O-N 3.41Å; F334-L341 HydrophobicContact CD2-CD1 3.53Å; F334-L341 HydrophobicContact CD2-CG 4.14Å; F334-L341 HydrophobicContact CE2-CD1 3.88Å
335	E	90.3	Very high	91	Very high	98 Å²	98	77.9 Å²	77.9	46%	0.458	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-33.9	179.4	-68	-166.3	157.2	0	0	112.6	A331 R337 G338 M339 R340	A331-E335 WeakPolarHBondContact O-CG 3.47Å; A331-E335 PolarHBondContact O-N 3.33Å; A331-E335 VanDerWaalsContact O-N 3.12Å; E335-R337 PolarHBondContact O-N 2.78Å; E335-G338 PolarHBondContact O-N 3.45Å; E335-M339 WeakPolarHBondContact CA-O 3.38Å; E335-M339 PolarHBondContact N-O 3.34Å; E335-M339 VanDerWaalsContact N-O 3.12Å; E335-R340 HydrophobicContact CG-CG 4.15Å
336	K	87.7	Confident	91	Very high	183 Å²	183	74.7 Å²	74.7	80%	0.796	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-19	175.4	-63.3	178.6	-176.9	180	0	113.4	E333 F334	E333-K336 PolarHBondContact O-N 3.22Å; F334-K336 PolarHBondContact O-N 2.9Å
337	R	85.6	Confident	91	Very high	168 Å²	168	71.5 Å²	71.5	63%	0.634	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	16.7	179.2	-72.1	-70.4	-172.3	149.8	-1.4	112.7	Y289 F334 E335 M339	Y289-R337 HydrophobicContact CE1-CB 4.24Å; Y289-R337 HydrophobicContact CE1-CG 3.92Å; F334-R337 PolarHBondContact O-N 3.06Å; E335-R337 PolarHBondContact O-N 2.78Å; R337-M339 HydrophobicContact CB-CE 3.58Å
338	G	86.9	Confident	90.8	Very high	26 Å²	26	78.6 Å²	78.6	27%	0.268	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	19.5	177.3	0	0	0	0	0	114.3	K278 E279 E335	K278-G338 WeakPolarHBondContact CA-O 3.47Å; E279-G338 PolarHBondContact N-O 3.04Å; E335-G338 PolarHBondContact O-N 3.45Å
339	M	93.3	Very high	90.5	Very high	1 Å²	1	78.8 Å²	78.8	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.6	175.8	-64.3	169.8	-68.6	0	0	110	L276 R277 L281 A286 Y289 M290 F334 E335 R337	L276-M339 HydrophobicContact CD1-CB 4.01Å; L276-M339 HydrophobicContact CD1-CG 4.27Å; R277-M339 CarbonylContact O-C 3.47Å; R277-M339 WeakPolarHBondContact O-CA 3.35Å; L281-M339 HydrophobicContact CD2-CE 4.45Å; L281-M339 HydrophobicContact CD2-CG 3.46Å; L281-M339 VanDerWaalsContact CD2-CG 3.46Å; L281-M339 HydrophobicContact CD2-SD 3.69Å; A286-M339 HydrophobicContact CB-CG 4.49Å; A286-M339 HydrophobicContact CB-SD 3.74Å; Y289-M339 HydrophobicContact CD1-CE 3.27Å; Y289-M339 HydrophobicContact CD1-SD 4.4Å; Y289-M339 HydrophobicContact CE1-CE 3.55Å; Y289-M339 HydrophobicContact CG-CE 4.4Å; M290-M339 HydrophobicContact CG-SD 4.12Å; M290-M339 HydrophobicContact SD-SD 4.4Å; F334-M339 CarbonylContact C-O 3.54Å; F334-M339 HydrophobicContact CB-CB 4.03Å; F334-M339 HydrophobicContact CB-CE 4.07Å; F334-M339 HydrophobicContact CD1-CE 4.22Å; F334-M339 PolarHBondContact O-N 3.41Å; E335-M339 WeakPolarHBondContact CA-O 3.38Å; E335-M339 PolarHBondContact N-O 3.34Å; E335-M339 VanDerWaalsContact N-O 3.12Å; R337-M339 HydrophobicContact CB-CE 3.58Å
340	R	93.1	Very high	90.3	Very high	137 Å²	137	74.2 Å²	74.2	52%	0.517	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132.6	172.4	-51.5	-167.8	-173.1	-171.7	1.1	110	R277 E335	R277-R340 HydrophobicContact CB-CB 4.16Å; R277-R340 PolarHBondContact N-O 2.93Å; R277-R340 PolarHBondContact O-N 3.33Å; E335-R340 HydrophobicContact CG-CG 4.15Å
341	L	93.6	Very high	90.1	Very high	21 Å²	21	72.7 Å²	72.7	11%	0.11	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.8	177.6	-52.1	-170.6	0	0	0	109.5	F274 T275 L276 M290 L327 F334 I344	F274-L341 HydrophobicContact CD2-CD2 3.74Å; F274-L341 HydrophobicContact CE2-CD2 3.71Å; T275-L341 WeakPolarHBondContact O-CA 3.23Å; L276-L341 HydrophobicContact CD1-CD2 3.59Å; M290-L341 HydrophobicContact CE-CD1 4.03Å; M290-L341 HydrophobicContact CE-CD2 3.9Å; L327-L341 HydrophobicContact CD1-CD1 3.64Å; L327-L341 HydrophobicContact CD2-CD1 4.19Å; L327-L341 HydrophobicContact CG-CD1 3.69Å; F334-L341 HydrophobicContact CD2-CD1 3.53Å; F334-L341 HydrophobicContact CD2-CG 4.14Å; F334-L341 HydrophobicContact CE2-CD1 3.88Å; L341-I344 HydrophobicContact CB-CD1 4.13Å
342	S	91.9	Very high	89.8	Confident	31 Å²	31	77.1 Å²	77.1	22%	0.217	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	167.5	175.9	56.8	0	0	0	0	111.1	T275 I344	T275-S342 WeakPolarHBondContact CB-OG 3.31Å; T275-S342 PolarHBondContact N-O 3.08Å; T275-S342 PolarHBondContact O-N 3.28Å; S342-I344 VanDerWaalsContact C-N 3.25Å; S342-I344 PolarHBondContact O-N 2.6Å; S342-I344 VanDerWaalsContact O-N 3.17Å
343	Q	89.4	Confident	89.3	Confident	87 Å²	87	80.1 Å²	80.1	41%	0.407	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.4	38.7	175.8	-61.4	-64.8	-41.1	0	0	114.2	R345	Q343-R345 PolarHBondContact O-N 3.22Å; Q343-R345 PolarHBondContact O-NH1 3.49Å
344	I	92.8	Very high	88.6	Confident	27 Å²	27	80.1 Å²	80.1	14%	0.138	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	118.9	-178.6	-57.8	170.3	0	0	0	109.8	T272 A273 F274 P324 L327 K328 L341 S342	T272-I344 HydrophobicContact CG2-CG2 3.61Å; A273-I344 CarbonylContact O-C 3.52Å; A273-I344 WeakPolarHBondContact O-CA 3.35Å; F274-I344 HydrophobicContact CB-CG1 3.88Å; P324-I344 HydrophobicContact CB-CG2 3.88Å; L327-I344 HydrophobicContact CB-CG2 4.4Å; L327-I344 HydrophobicContact CD2-CD1 4.23Å; L327-I344 HydrophobicContact CD2-CG1 4.21Å; L327-I344 HydrophobicContact CD2-CG2 4.01Å; L327-I344 HydrophobicContact CG-CD1 4.19Å; K328-I344 HydrophobicContact CG-CD1 3.6Å; L341-I344 HydrophobicContact CB-CD1 4.13Å; S342-I344 VanDerWaalsContact C-N 3.25Å; S342-I344 PolarHBondContact O-N 2.6Å; S342-I344 VanDerWaalsContact O-N 3.17Å
345	R	92.4	Very high	88.1	Confident	124 Å²	124	85.3 Å²	85.3	47%	0.468	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.7	-178.3	64.3	-177.6	-179	-89.6	6.4	112	T272 A273 Q343 V347	T272-R345 CarbonylContact C-O 3.48Å; T272-R345 WeakPolarHBondContact CA-O 3.5Å; A273-R345 HydrophobicContact CB-CG 4.01Å; A273-R345 PolarHBondContact N-O 3.09Å; A273-R345 PolarHBondContact O-N 2.96Å; Q343-R345 PolarHBondContact O-N 3.22Å; Q343-R345 PolarHBondContact O-NH1 3.49Å; R345-V347 HydrophobicContact CG-CG1 4.24Å
346	S	92.4	Very high	87.9	Confident	77 Å²	77	81.5 Å²	81.5	54%	0.538	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	142	170	-158	0	0	0	0	110.2	Y271	Y271-S346 CarbonylContact O-C 3.59Å; Y271-S346 WeakPolarHBondContact O-CA 3.1Å
347	V	90.9	Very high	87.9	Confident	34 Å²	34	79.8 Å²	79.8	21%	0.206	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	165.7	174.4	-64	0	0	0	0	109.6	Y271 A273 V318 R345 E349	Y271-V347 WeakPolarHBondContact CB-O 3.35Å; Y271-V347 PolarHBondContact O-N 3.42Å; Y271-V347 VanDerWaalsContact O-O 3.1Å; A273-V347 HydrophobicContact CB-CB 4.36Å; A273-V347 HydrophobicContact CB-CG1 3.5Å; A273-V347 VanDerWaalsContact CB-CG1 3.5Å; A273-V347 HydrophobicContact CB-CG2 3.89Å; V318-V347 HydrophobicContact CG1-CG2 4.09Å; V318-V347 HydrophobicContact CG2-CG2 4.08Å; R345-V347 HydrophobicContact CG-CG1 4.24Å; V347-E349 WeakPolarHBondContact CG2-O 3.36Å
348	N	86.9	Confident	88.2	Confident	149 Å²	149	71.9 Å²	71.9	80%	0.797	36%	0.364	S	S	*	.	S	Bend	trans	-100.9	-12.6	-177.9	-60.8	-19.9	0	0	0	112.8
349	E	86.7	Confident	88.5	Confident	131 Å²	131	71.5 Å²	71.5	61%	0.612	36%	0.356	S	S	*	.	S	Bend	trans	-132.4	146.6	-174	-65.4	-168.4	176.2	0	0	112.4	V347	V347-E349 WeakPolarHBondContact CG2-O 3.36Å
350	P	88.5	Confident	88.6	Confident	49 Å²	49	72 Å²	72	32%	0.318	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-72	156.7	169	30.7	-34.2	0	0	0	112.2	Y271 T302	Y271-P350 HydrophobicContact CD1-CB 4.34Å; Y271-P350 HydrophobicContact CE1-CB 4.06Å; Y271-P350 HydrophobicContact CE1-CG 4.28Å; T302-P350 HydrophobicContact CG2-CB 3.94Å
351	L	86.9	Confident	88.7	Confident	44 Å²	44	65.9 Å²	65.9	23%	0.23	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-73.2	137.4	169.2	-81.8	160.6	0	0	0	110.2	T302 S316 V318	T302-L351 WeakPolarHBondContact CB-O 3.42Å; T302-L351 PolarHBondContact OG1-N 3.32Å; T302-L351 VanDerWaalsContact OG1-N 3.16Å; S316-L351 WeakPolarHBondContact O-CD1 3.44Å; V318-L351 HydrophobicContact CB-CD1 4.26Å; V318-L351 HydrophobicContact CB-CG 4.4Å; V318-L351 HydrophobicContact CG2-CB 4.44Å; V318-L351 HydrophobicContact CG2-CD1 3.68Å; V318-L351 HydrophobicContact CG2-CG 3.75Å
352	K	84.1	Confident	88.7	Confident	112 Å²	112	67.3 Å²	67.3	49%	0.487	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-100.4	140.1	173.1	-55.5	-170.8	-169.9	173.6	0	110.2	R355	K352-R355 HydrophobicContact CB-CG 3.98Å; K352-R355 WeakPolarHBondContact O-CB 3.25Å; K352-R355 PolarHBondContact O-N 3.01Å
353	L	79.6	Confident	88.7	Confident	125 Å²	125	66 Å²	66	65%	0.654	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	140.2	175	-71.5	166.6	0	0	0	110.8	Y303 R355	Y303-L353 HydrophobicContact CD2-CD2 3.77Å; Y303-L353 HydrophobicContact CE2-CD2 3.55Å; Y303-L353 WeakPolarHBondContact O-CD2 3.42Å; L353-R355 VanDerWaalsContact C-N 3.28Å; L353-R355 PolarHBondContact O-N 3.07Å
354	G	75.8	Confident	88.8	Confident	58 Å²	58	63 Å²	63	60%	0.598	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	4.1	177.1	0	0	0	0	0	115.4	A304 L356	A304-G354 PolarHBondContact O-N 3.39Å; G354-L356 VanDerWaalsContact C-N 3.33Å
355	R	81.9	Confident	88.7	Confident	109 Å²	109	61.7 Å²	61.7	41%	0.411	32%	0.315	S	S	.	.			trans	-79.9	-8	177.9	-73.7	-162.1	171.4	-170.7	-6.7	114.8	I47 K352 L353	I47-R355 HydrophobicContact CG2-CB 3.84Å; I47-R355 WeakPolarHBondContact CG2-O 3.38Å; K352-R355 HydrophobicContact CB-CG 3.98Å; K352-R355 WeakPolarHBondContact O-CB 3.25Å; K352-R355 PolarHBondContact O-N 3.01Å; L353-R355 VanDerWaalsContact C-N 3.28Å; L353-R355 PolarHBondContact O-N 3.07Å
356	L	85.4	Confident	88.5	Confident	19 Å²	19	56.9 Å²	56.9	10%	0.099	30%	0.297	C	S	.	.			trans	-67.1	140.8	174.5	66.8	114.2	0	0	0	110.4	E44 A304 G354 G358	E44-L356 HydrophobicContact CG-CB 4.12Å; A304-L356 HydrophobicContact CB-CB 3.9Å; A304-L356 HydrophobicContact CB-CD2 3.72Å; A304-L356 HydrophobicContact CB-CG 4.39Å; A304-L356 WeakPolarHBondContact O-CD2 3.45Å; G354-L356 VanDerWaalsContact C-N 3.33Å; L356-G358 VanDerWaalsContact CD1-O 3.32Å; L356-G358 WeakPolarHBondContact CD1-O 3.26Å
357	R	87.6	Confident	88.2	Confident	147 Å²	147	55.1 Å²	55.1	56%	0.555	28%	0.281	S	S	*	.			trans	-74.3	-37.3	174.2	-75.4	-173.6	62.8	-170.2	-2.6	111.6	I45 D46 I47 S666	I45-R357 HydrophobicContact CG2-CB 4.18Å; I45-R357 PolarHBondContact O-N 2.89Å; I45-R357 VanDerWaalsContact O-N 3.14Å; D46-R357 WeakPolarHBondContact O-CG 3.43Å; I47-R357 WeakPolarHBondContact O-CD 3.41Å; R357-S666 PolarHBondContact O-N 2.84Å
358	G	91.8	Very high	87.9	Confident	1 Å²	1	54 Å²	54	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	-164.9	-176.3	0	0	0	0	0	113.4	I45 L356 L664	I45-G358 WeakPolarHBondContact CB-O 3.34Å; I45-G358 PolarHBondContact N-O 3.27Å; L356-G358 VanDerWaalsContact CD1-O 3.32Å; L356-G358 WeakPolarHBondContact CD1-O 3.26Å; G358-L664 CarbonylContact C-O 3.53Å; G358-L664 WeakPolarHBondContact CA-O 3.28Å
359	N	93.9	Very high	87.8	Confident	18 Å²	18	52 Å²	52	10%	0.096	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	136.4	173.5	-53.7	-83.7	0	0	0	109.3	V42 T43 K307 F361 L664	V42-N359 HydrophobicContact CG1-CB 3.93Å; T43-N359 CarbonylContact O-C 3.52Å; T43-N359 WeakPolarHBondContact O-CA 3.25Å; K307-N359 PolarHBondContact NZ-OD1 3.45Å; N359-F361 HydrophobicContact CB-CD2 4.41Å; N359-F361 HydrophobicContact CB-CE2 3.64Å; N359-F361 HydrophobicContact CB-CZ 3.73Å; N359-F361 WeakPolarHBondContact O-CD2 3.45Å; N359-F361 WeakPolarHBondContact O-CE2 3.23Å; N359-L664 PolarHBondContact N-O 3.29Å; N359-L664 PolarHBondContact O-N 3.35Å
360	H	95.4	Very high	87.7	Confident	11 Å²	11	46.3 Å²	46.3	5%	0.051	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	137.8	164.7	-175	59.1	0	0	0	109.4	V42 T43 I45 K51 D362 F662 D663	V42-H360 CarbonylContact C-O 3.53Å; V42-H360 WeakPolarHBondContact CA-O 3.4Å; T43-H360 PolarHBondContact N-O 2.86Å; T43-H360 PolarHBondContact O-N 2.93Å; I45-H360 HydrophobicContact CG1-CB 4.45Å; K51-H360 HydrophobicContact CD-CB 3.99Å; K51-H360 WeakPolarHBondContact CE-ND1 3.26Å; K51-H360 HydrophobicContact CG-CB 4.26Å; K51-H360 PolarHBondContact NZ-CD2 2.79Å; K51-H360 VanDerWaalsContact NZ-CD2 3.31Å; K51-H360 PolarHBondContact NZ-CE1 3.33Å; K51-H360 VanDerWaalsContact NZ-CG 3.35Å; K51-H360 PolarHBondContact NZ-ND1 3.45Å; K51-H360 VanDerWaalsContact NZ-ND1 3.12Å; K51-H360 PolarHBondContact NZ-NE2 3.44Å; H360-D362 IonicContact CD2-OD1 3.69Å; H360-D362 IonicContact CD2-OD2 3.96Å; H360-D362 PolarHBondContact CD2-OD2 3.33Å; H360-D362 IonicContact NE2-OD1 2.95Å; H360-D362 PolarHBondContact NE2-OD1 3.31Å; H360-D362 VanDerWaalsContact NE2-OD1 3.1Å; H360-D362 IonicContact NE2-OD2 2.81Å; H360-F662 WeakPolarHBondContact CA-O 3.42Å; H360-F662 PolarHBondContact ND1-O 3.22Å; H360-F662 VanDerWaalsContact ND1-O 3.16Å; H360-D663 VanDerWaalsContact CB-OD1 3.27Å; H360-D663 WeakPolarHBondContact CB-OD1 3.45Å; H360-D663 IonicContact CE1-OD1 2.85Å; H360-D663 IonicContact CG-OD1 3.1Å; H360-D663 VanDerWaalsContact CG-OD1 3.26Å; H360-D663 IonicContact ND1-OD1 2.9Å; H360-D663 PolarHBondContact ND1-OD1 3.5Å
361	F	94.6	Very high	87.2	Confident	9 Å²	9	46.9 Å²	46.9	4%	0.039	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.2	178.3	-63.8	-87.9	0	0	0	109.1	F40 V41 V42 N359 L363 N661 F662 L664 A670	F40-F361 HydrophobicContact CE1-CD1 4.35Å; F40-F361 HydrophobicContact CE1-CE1 4.43Å; F40-F361 HydrophobicContact CZ-CD1 4.4Å; V41-F361 WeakPolarHBondContact O-CA 3.37Å; V42-F361 HydrophobicContact CB-CD1 4.48Å; V42-F361 HydrophobicContact CB-CE1 4.4Å; V42-F361 HydrophobicContact CG1-CD1 4.21Å; V42-F361 HydrophobicContact CG1-CE1 3.79Å; V42-F361 HydrophobicContact CG1-CZ 4.27Å; V42-F361 HydrophobicContact CG2-CD1 3.86Å; V42-F361 HydrophobicContact CG2-CE1 3.8Å; N359-F361 HydrophobicContact CB-CD2 4.41Å; N359-F361 HydrophobicContact CB-CE2 3.64Å; N359-F361 HydrophobicContact CB-CZ 3.73Å; N359-F361 WeakPolarHBondContact O-CD2 3.45Å; N359-F361 WeakPolarHBondContact O-CE2 3.23Å; F361-L363 HydrophobicContact CB-CD1 4.12Å; F361-L363 HydrophobicContact CB-CD2 4.19Å; F361-L363 HydrophobicContact CB-CG 3.93Å; F361-L363 HydrophobicContact CD1-CD2 4.4Å; F361-N661 VanDerWaalsContact O-CA 3.27Å; F361-N661 WeakPolarHBondContact O-CA 3.32Å; F361-F662 HydrophobicContact CB-CD2 4.4Å; F361-F662 HydrophobicContact CB-CE1 4.38Å; F361-F662 HydrophobicContact CB-CE2 4.01Å; F361-F662 HydrophobicContact CB-CZ 4.01Å; F361-F662 HydrophobicContact CD2-CD2 4.2Å; F361-F662 AromaticContact CD2-CE2 3.8Å; F361-F662 HydrophobicContact CD2-CE2 3.8Å; F361-F662 HydrophobicContact CG-CE2 4.11Å; F361-F662 HydrophobicContact CG-CZ 4.4Å; F361-F662 PolarHBondContact N-O 3.28Å; F361-F662 PolarHBondContact O-N 3.47Å; F361-L664 HydrophobicContact CD2-CD1 4.21Å; F361-L664 HydrophobicContact CD2-CG 4.15Å; F361-L664 HydrophobicContact CE2-CB 4Å; F361-L664 HydrophobicContact CE2-CD1 3.8Å; F361-L664 HydrophobicContact CE2-CG 3.96Å; F361-A670 HydrophobicContact CD1-CB 3.58Å; F361-A670 HydrophobicContact CD2-CB 4.15Å; F361-A670 HydrophobicContact CE1-CB 3.53Å; F361-A670 HydrophobicContact CE2-CB 4.1Å; F361-A670 HydrophobicContact CG-CB 3.9Å; F361-A670 HydrophobicContact CZ-CB 3.8Å
362	D	93.5	Very high	86.1	Confident	51 Å²	51	48.8 Å²	48.8	27%	0.273	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	110	163.7	-49	-84.9	0	0	0	106.7	V41 H360 N661	V41-D362 HydrophobicContact CB-CB 4.1Å; V41-D362 PolarHBondContact N-O 3.18Å; V41-D362 PolarHBondContact O-N 2.93Å; H360-D362 IonicContact CD2-OD1 3.69Å; H360-D362 IonicContact CD2-OD2 3.96Å; H360-D362 PolarHBondContact CD2-OD2 3.33Å; H360-D362 IonicContact NE2-OD1 2.95Å; H360-D362 PolarHBondContact NE2-OD1 3.31Å; H360-D362 VanDerWaalsContact NE2-OD1 3.1Å; H360-D362 IonicContact NE2-OD2 2.81Å; D362-N661 PolarHBondContact OD1-OD1 3.45Å; D362-N661 VanDerWaalsContact OD1-OD1 3.06Å
363	L	93.1	Very high	85	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.3	-169.7	-54.9	-179.2	0	0	0	110.7	D39 F40 F361 S659 L660 F662 A670 L674	D39-L363 CarbonylContact O-C 3.53Å; D39-L363 WeakPolarHBondContact O-CA 3.27Å; F40-L363 HydrophobicContact CB-CD2 4.35Å; F40-L363 HydrophobicContact CD1-CD2 4.02Å; F40-L363 HydrophobicContact CD2-CD2 3.33Å; F40-L363 HydrophobicContact CE1-CD2 4.13Å; F40-L363 HydrophobicContact CE2-CD1 4.31Å; F40-L363 HydrophobicContact CE2-CD2 3.42Å; F40-L363 VanDerWaalsContact CE2-CD2 3.42Å; F40-L363 HydrophobicContact CG-CD2 3.64Å; F40-L363 HydrophobicContact CZ-CD2 3.84Å; F361-L363 HydrophobicContact CB-CD1 4.12Å; F361-L363 HydrophobicContact CB-CD2 4.19Å; F361-L363 HydrophobicContact CB-CG 3.93Å; F361-L363 HydrophobicContact CD1-CD2 4.4Å; L363-S659 CarbonylContact O-C 3.53Å; L363-S659 WeakPolarHBondContact O-CA 3.32Å; L363-L660 HydrophobicContact CB-CB 4.46Å; L363-L660 PolarHBondContact N-O 3.31Å; L363-L660 PolarHBondContact O-N 2.92Å; L363-F662 HydrophobicContact CD1-CE1 3.76Å; L363-F662 HydrophobicContact CD1-CZ 3.61Å; L363-F662 HydrophobicContact CG-CE1 4.44Å; L363-A670 HydrophobicContact CD1-CB 4.2Å; L363-L674 HydrophobicContact CD1-CD1 3.75Å; L363-L674 HydrophobicContact CD1-CD2 4.33Å; L363-L674 HydrophobicContact CD1-CG 4.14Å
364	V	91.5	Very high	83.8	Confident	24 Å²	24	42.9 Å²	42.9	15%	0.145	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.4	170.8	-174.7	0	0	0	0	109.2	D39 R366 A657 L658	D39-V364 HydrophobicContact CB-CB 3.93Å; D39-V364 PolarHBondContact O-N 2.83Å; V364-R366 HydrophobicContact CG1-CG 4Å; V364-A657 HydrophobicContact CG1-CB 4.29Å; V364-L658 WeakPolarHBondContact CA-O 3.37Å
365	V	90.4	Very high	82.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.8	171	-169.5	0	0	0	0	107.7	I33 L368 A657 L658 L660 L674 M678	I33-V365 HydrophobicContact CG2-CG1 4.24Å; I33-V365 HydrophobicContact CG2-CG2 4.05Å; V365-L368 HydrophobicContact CB-CD2 4.04Å; V365-L368 HydrophobicContact CG1-CD2 3.63Å; V365-A657 CarbonylContact O-C 3.59Å; V365-A657 WeakPolarHBondContact O-CA 3.31Å; V365-L658 HydrophobicContact CB-CB 4.3Å; V365-L658 PolarHBondContact N-O 3.03Å; V365-L658 PolarHBondContact O-N 3.44Å; V365-L660 HydrophobicContact CG2-CD1 4.3Å; V365-L674 HydrophobicContact CG2-CD2 4.19Å; V365-M678 HydrophobicContact CG1-CE 3.91Å; V365-M678 HydrophobicContact CG1-SD 4.16Å
366	R	88.8	Confident	81.2	Confident	23 Å²	23	50 Å²	50	9%	0.087	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	168.6	-178	-62.7	-175.6	-179.7	-88.6	-12.1	111.5	G31 S32 D39 V364 L368 A640 A641	G31-R366 CarbonylContact C-O 3.51Å; G31-R366 WeakPolarHBondContact CA-O 3.49Å; S32-R366 PolarHBondContact N-O 3.48Å; S32-R366 PolarHBondContact O-N 3.42Å; D39-R366 VanDerWaalsContact CG-NE 3.35Å; D39-R366 IonicContact OD1-CZ 2.89Å; D39-R366 IonicContact OD1-NE 3.81Å; D39-R366 PolarHBondContact OD1-NE 2.75Å; D39-R366 VanDerWaalsContact OD1-NE 3.15Å; D39-R366 IonicContact OD1-NH2 2.75Å; D39-R366 PolarHBondContact OD1-NH2 2.64Å; D39-R366 IonicContact OD2-CZ 3.85Å; D39-R366 IonicContact OD2-NE 3.7Å; D39-R366 PolarHBondContact OD2-NE 2.88Å; D39-R366 IonicContact OD2-NH2 3.91Å; V364-R366 HydrophobicContact CG1-CG 4Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 3.33Å; R366-A640 VanDerWaalsContact NH1-CB 3.32Å; R366-A641 PolarHBondContact NH1-O 2.94Å
367	N	84.2	Confident	79.5	Confident	39 Å²	39	52.5 Å²	52.5	21%	0.209	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.3	48.7	174	-51	-31.2	0	0	0	112	C642 S655	N367-C642 PolarHBondContact OD1-SG 3.48Å; N367-C642 VanDerWaalsContact OD1-SG 3.42Å; N367-S655 PolarHBondContact OD1-OG 2.96Å
368	L	86	Confident	77.8	Confident	12 Å²	12	47.8 Å²	47.8	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.7	-176.4	-61.8	176.4	0	0	0	111.1	F29 I30 V365 R366 L387 L637 L656 L658	F29-L368 HydrophobicContact CD2-CD2 3.73Å; F29-L368 HydrophobicContact CE2-CD2 3.67Å; I30-L368 CarbonylContact O-C 3.56Å; I30-L368 VanDerWaalsContact O-CA 3.31Å; I30-L368 WeakPolarHBondContact O-CA 3.36Å; V365-L368 HydrophobicContact CB-CD2 4.04Å; V365-L368 HydrophobicContact CG1-CD2 3.63Å; R366-L368 VanDerWaalsContact C-N 3.34Å; R366-L368 PolarHBondContact O-N 3.33Å; L368-L387 HydrophobicContact CB-CD1 4.43Å; L368-L387 HydrophobicContact CB-CD2 3.71Å; L368-L387 HydrophobicContact CB-CG 4.4Å; L368-L637 HydrophobicContact CD1-CD2 3.89Å; L368-L656 WeakPolarHBondContact CB-O 3.4Å; L368-L656 HydrophobicContact CD1-CB 4.49Å; L368-L656 HydrophobicContact CD1-CD2 4.34Å; L368-L656 HydrophobicContact CD1-CG 4.25Å; L368-L656 VanDerWaalsContact CG-O 3.3Å; L368-L656 WeakPolarHBondContact CG-O 3.46Å; L368-L656 PolarHBondContact N-O 2.87Å; L368-L658 HydrophobicContact CD1-CB 3.66Å; L368-L658 HydrophobicContact CD2-CB 4.21Å; L368-L658 HydrophobicContact CG-CB 4.46Å
369	R	84.7	Confident	75.8	Confident	107 Å²	107	53.2 Å²	53.2	40%	0.404	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.3	175	63.9	-174.2	179.8	-177.8	0.7	111.6	F29 I30 L378	F29-R369 CarbonylContact C-O 3.59Å; I30-R369 HydrophobicContact CB-CG 3.68Å; I30-R369 HydrophobicContact CD1-CG 4.34Å; I30-R369 HydrophobicContact CG1-CG 4.47Å; I30-R369 HydrophobicContact CG2-CG 4.26Å; I30-R369 PolarHBondContact N-O 2.89Å; I30-R369 PolarHBondContact O-N 3.14Å; R369-L378 HydrophobicContact CB-CD1 4.03Å
370	P	83.6	Confident	74.3	Confident	10 Å²	10	54.1 Å²	54.1	7%	0.065	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	156.9	170.4	-19.1	32.5	0	0	0	112	G372 A373 L378 L387 L390	P370-G372 PolarHBondContact O-N 3.34Å; P370-A373 HydrophobicContact CB-CB 4.37Å; P370-A373 HydrophobicContact CG-CB 4.45Å; P370-L378 HydrophobicContact CG-CD2 4.36Å; P370-L387 HydrophobicContact CG-CD1 4.37Å; P370-L390 HydrophobicContact CB-CD1 4.11Å; P370-L390 HydrophobicContact CG-CD1 4.39Å
371	H	77.9	Confident	72.8	Confident	61 Å²	61	57.4 Å²	57.4	28%	0.282	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	128.9	171.4	-76.9	83.7	0	0	0	110.2	E27 G28 F29 A373 M678	E27-H371 PolarHBondContact O-ND1 3.23Å; G28-H371 VanDerWaalsContact C-ND1 3.28Å; G28-H371 PolarHBondContact O-ND1 3.16Å; F29-H371 VanDerWaalsContact CA-CE1 3.47Å; F29-H371 WeakPolarHBondContact CA-CE1 3.17Å; F29-H371 WeakPolarHBondContact CA-ND1 3.36Å; F29-H371 PolarHBondContact N-CE1 2.76Å; F29-H371 PolarHBondContact N-ND1 2.73Å; F29-H371 PolarHBondContact O-CE1 3.04Å; H371-A373 PolarHBondContact O-N 3Å; H371-M678 PolarHBondContact CE1-O 2.94Å
372	G	64.9	Low	71.6	Confident	85 Å²	85	63.5 Å²	63.5	88%	0.876	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	5.7	176.2	0	0	0	0	0	116.6	P370	P370-G372 PolarHBondContact O-N 3.34Å
373	A	60.5	Low	70.6	Confident	30 Å²	30	62 Å²	62	25%	0.248	39%	0.385	C	S	.	.			trans	-76.5	130.3	173.7	0	0	0	0	0	111.6	P370 H371	P370-A373 HydrophobicContact CB-CB 4.37Å; P370-A373 HydrophobicContact CG-CB 4.45Å; H371-A373 PolarHBondContact O-N 3Å
374	S	54.1	Low	69.9	Low	82 Å²	82	63.7 Å²	63.7	57%	0.573	39%	0.394	S	S	*	.			trans	-78.1	149.5	163.2	53	0	0	0	0	110	E376 S377	S374-E376 PolarHBondContact O-N 3.41Å; S374-S377 PolarHBondContact O-N 3.47Å; S374-S377 PolarHBondContact O-OG 3.42Å
375	D	53.6	Low	69.5	Low	137 Å²	137	66.9 Å²	66.9	73%	0.733	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-53.4	-22.8	-175.1	-83.5	-25.9	0	0	0	114
376	E	50.2	Low	69.1	Low	179 Å²	179	73.9 Å²	73.9	84%	0.836	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-81.4	-10.9	-179.5	-61.2	-156.1	157.9	0	0	115	S374	S374-E376 PolarHBondContact O-N 3.41Å
377	S	49.5	Very low	68.9	Low	72 Å²	72	73 Å²	73	50%	0.503	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-93.3	3.3	-176	59.3	0	0	0	0	114.8	S374	S374-S377 PolarHBondContact O-N 3.47Å; S374-S377 PolarHBondContact O-OG 3.42Å
378	L	52	Low	69.1	Low	49 Å²	49	72.7 Å²	72.7	26%	0.257	44%	0.44	S	S	.	.			trans	-107.7	-2.4	-170.3	-68.4	168.4	0	0	0	114.7	R369 P370 G380	R369-L378 HydrophobicContact CB-CD1 4.03Å; P370-L378 HydrophobicContact CG-CD2 4.36Å; L378-G380 PolarHBondContact O-N 2.97Å; L378-G380 VanDerWaalsContact O-N 3.08Å
379	S	50.6	Low	69.3	Low	115 Å²	115	74.9 Å²	74.9	80%	0.804	46%	0.46	S	S	*	.			trans	-85.7	75.7	-177.7	48.2	0	0	0	0	112
380	G	62.3	Low	69.5	Low	37 Å²	37	70.5 Å²	70.5	38%	0.381	44%	0.444	S	S	.	.	S	Bend	trans	175.8	158.8	170.3	0	0	0	0	0	115	L378 D382 G383 D384	L378-G380 PolarHBondContact O-N 2.97Å; L378-G380 VanDerWaalsContact O-N 3.08Å; G380-D382 PolarHBondContact O-N 3.48Å; G380-D382 VanDerWaalsContact O-N 3.13Å; G380-G383 PolarHBondContact O-N 2.9Å; G380-G383 VanDerWaalsContact O-N 3.13Å; G380-D384 PolarHBondContact O-N 3.04Å
381	A	63.2	Low	69.9	Low	79 Å²	79	70 Å²	70	65%	0.653	44%	0.441	S	S	*	.	H	α-helix	trans	-58.5	-23.9	177.6	0	0	0	0	0	113.8	T385	A381-T385 PolarHBondContact O-N 2.89Å; A381-T385 PolarHBondContact O-OG1 2.88Å
382	D	68.3	Low	70.6	Confident	138 Å²	138	73 Å²	73	74%	0.738	45%	0.453	S	S	*	.	H	α-helix	trans	-75.4	-36.1	179.2	-154.7	25.5	0	0	0	112.1	G380 T385 R386	G380-D382 PolarHBondContact O-N 3.48Å; G380-D382 VanDerWaalsContact O-N 3.13Å; D382-T385 PolarHBondContact O-N 2.93Å; D382-R386 PolarHBondContact O-N 2.86Å
383	G	73.5	Confident	71.9	Confident	20 Å²	20	73.4 Å²	73.4	21%	0.206	43%	0.432	C	S	.	.	H	α-helix	trans	-65.4	-43.5	173.9	0	0	0	0	0	112.5	G380 T385 R386 L387	G380-G383 PolarHBondContact O-N 2.9Å; G380-G383 VanDerWaalsContact O-N 3.13Å; G383-T385 VanDerWaalsContact C-N 3.31Å; G383-T385 PolarHBondContact O-N 2.89Å; G383-R386 PolarHBondContact O-N 2.96Å; G383-L387 WeakPolarHBondContact O-CB 3.37Å; G383-L387 PolarHBondContact O-N 2.81Å
384	D	77.8	Confident	73.5	Confident	39 Å²	39	72 Å²	72	21%	0.209	42%	0.42	C	S	.	.	H	α-helix	trans	-62	-38.9	175.1	-75.5	-19.6	0	0	0	111.7	G380 L387 A388 R639	G380-D384 PolarHBondContact O-N 3.04Å; D384-L387 PolarHBondContact O-N 3.12Å; D384-A388 WeakPolarHBondContact O-CB 3.39Å; D384-A388 PolarHBondContact O-N 3.28Å; D384-R639 IonicContact OD2-CZ 3.58Å; D384-R639 IonicContact OD2-NH1 3.85Å; D384-R639 IonicContact OD2-NH2 2.7Å; D384-R639 PolarHBondContact OD2-NH2 3.39Å
385	T	82.7	Confident	75.3	Confident	91 Å²	91	68.1 Å²	68.1	56%	0.558	39%	0.393	S	S	*	.	H	α-helix	trans	-67.7	-44.1	179.4	-58.5	0	0	0	0	111.5	A381 D382 G383 A388 A389	A381-T385 PolarHBondContact O-N 2.89Å; A381-T385 PolarHBondContact O-OG1 2.88Å; D382-T385 PolarHBondContact O-N 2.93Å; G383-T385 VanDerWaalsContact C-N 3.31Å; G383-T385 PolarHBondContact O-N 2.89Å; T385-A388 PolarHBondContact O-N 3.49Å; T385-A389 PolarHBondContact O-N 3Å
386	R	83.6	Confident	77.2	Confident	147 Å²	147	64.3 Å²	64.3	56%	0.555	37%	0.371	S	S	*	.	H	α-helix	trans	-60.8	-45.4	174.1	-178.7	177.2	174.4	-172.8	-4.3	111.4	E27 D382 G383 A388 A389 L390	E27-R386 IonicContact OE1-NH2 3.72Å; D382-R386 PolarHBondContact O-N 2.86Å; G383-R386 PolarHBondContact O-N 2.96Å; R386-A388 VanDerWaalsContact C-N 3.34Å; R386-A388 PolarHBondContact O-N 3.12Å; R386-A389 WeakPolarHBondContact O-CB 3.28Å; R386-A389 PolarHBondContact O-N 3.2Å; R386-L390 WeakPolarHBondContact O-CG 3.48Å; R386-L390 PolarHBondContact O-N 3.02Å
387	L	84.9	Confident	79.3	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-40.3	178.9	-175.4	57	0	0	0	111.8	F29 L368 P370 G383 D384 A389 L390 V391 L656	F29-L387 HydrophobicContact CB-CD1 4.01Å; L368-L387 HydrophobicContact CB-CD1 4.43Å; L368-L387 HydrophobicContact CB-CD2 3.71Å; L368-L387 HydrophobicContact CB-CG 4.4Å; P370-L387 HydrophobicContact CG-CD1 4.37Å; G383-L387 WeakPolarHBondContact O-CB 3.37Å; G383-L387 PolarHBondContact O-N 2.81Å; D384-L387 PolarHBondContact O-N 3.12Å; L387-A389 VanDerWaalsContact C-N 3.31Å; L387-A389 PolarHBondContact O-N 3.08Å; L387-L390 PolarHBondContact O-N 3.18Å; L387-V391 VanDerWaalsContact O-CG2 3.28Å; L387-V391 WeakPolarHBondContact O-CG2 3.2Å; L387-V391 PolarHBondContact O-N 2.89Å; L387-L656 HydrophobicContact CB-CD2 4.37Å; L387-L656 HydrophobicContact CD2-CB 4.43Å; L387-L656 HydrophobicContact CD2-CD2 3.65Å; L387-L656 HydrophobicContact CG-CD2 3.96Å
388	A	87.9	Confident	81.3	Confident	33 Å²	33	53.1 Å²	53.1	27%	0.273	31%	0.312	S	S	.	.	H	α-helix	trans	-62	-38.2	174.5	0	0	0	0	0	112.6	D384 T385 R386 K392 L637	D384-A388 WeakPolarHBondContact O-CB 3.39Å; D384-A388 PolarHBondContact O-N 3.28Å; T385-A388 PolarHBondContact O-N 3.49Å; R386-A388 VanDerWaalsContact C-N 3.34Å; R386-A388 PolarHBondContact O-N 3.12Å; A388-K392 WeakPolarHBondContact O-CB 3.32Å; A388-K392 PolarHBondContact O-N 3.24Å; A388-L637 HydrophobicContact CB-CD1 3.58Å
389	A	89.2	Confident	83.3	Confident	59 Å²	59	55.4 Å²	55.4	49%	0.488	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-44.8	174.6	0	0	0	0	0	112	T385 R386 L387 V391 K392 E393	T385-A389 PolarHBondContact O-N 3Å; R386-A389 WeakPolarHBondContact O-CB 3.28Å; R386-A389 PolarHBondContact O-N 3.2Å; L387-A389 VanDerWaalsContact C-N 3.31Å; L387-A389 PolarHBondContact O-N 3.08Å; A389-V391 PolarHBondContact O-N 3.23Å; A389-K392 PolarHBondContact O-N 3Å; A389-E393 PolarHBondContact O-N 3.21Å
390	L	89.8	Confident	85.2	Confident	14 Å²	14	57.6 Å²	57.6	7%	0.073	31%	0.31	C	S	.	.	H	α-helix	trans	-59.6	-46.2	175.8	-71.1	174.8	0	0	0	111.9	E27 P370 R386 L387 E393 A394	E27-L390 HydrophobicContact CB-CD2 4.04Å; P370-L390 HydrophobicContact CB-CD1 4.11Å; P370-L390 HydrophobicContact CG-CD1 4.39Å; R386-L390 WeakPolarHBondContact O-CG 3.48Å; R386-L390 PolarHBondContact O-N 3.02Å; L387-L390 PolarHBondContact O-N 3.18Å; L390-E393 PolarHBondContact O-N 2.94Å; L390-A394 VanDerWaalsContact O-CB 3.28Å; L390-A394 WeakPolarHBondContact O-CB 3.46Å; L390-A394 PolarHBondContact O-N 3.05Å
391	V	91.2	Very high	86.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.8	-46.1	177.4	170.2	0	0	0	0	110.7	F29 L387 A389 E393 A394 V395 Y635 L637 L658	F29-V391 HydrophobicContact CD1-CG2 3.8Å; F29-V391 HydrophobicContact CD2-CG2 4.48Å; F29-V391 HydrophobicContact CE1-CB 4.23Å; F29-V391 HydrophobicContact CE1-CG2 3.67Å; F29-V391 HydrophobicContact CE2-CG2 4.35Å; F29-V391 HydrophobicContact CG-CG2 4.22Å; F29-V391 HydrophobicContact CZ-CG2 3.96Å; L387-V391 VanDerWaalsContact O-CG2 3.28Å; L387-V391 WeakPolarHBondContact O-CG2 3.2Å; L387-V391 PolarHBondContact O-N 2.89Å; A389-V391 PolarHBondContact O-N 3.23Å; V391-E393 PolarHBondContact O-N 3.24Å; V391-A394 PolarHBondContact O-N 3.27Å; V391-V395 HydrophobicContact CG1-CG2 4.23Å; V391-V395 WeakPolarHBondContact O-CB 3.26Å; V391-V395 VanDerWaalsContact O-CG2 3.29Å; V391-V395 WeakPolarHBondContact O-CG2 3.46Å; V391-V395 PolarHBondContact O-N 3.01Å; V391-Y635 HydrophobicContact CG1-CD2 4.08Å; V391-Y635 HydrophobicContact CG1-CE2 4.12Å; V391-L637 HydrophobicContact CB-CD1 4.4Å; V391-L637 HydrophobicContact CG1-CD1 4.38Å; V391-L637 HydrophobicContact CG1-CD2 4.21Å; V391-L637 HydrophobicContact CG1-CG 4.45Å; V391-L637 HydrophobicContact CG2-CD2 4.33Å; V391-L658 HydrophobicContact CG1-CD1 3.71Å; V391-L658 HydrophobicContact CG1-CD2 3.8Å; V391-L658 HydrophobicContact CG1-CG 4.33Å; V391-L658 HydrophobicContact CG2-CD2 4.5Å
392	K	92.7	Very high	88	Confident	123 Å²	123	58 Å²	58	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-48.3	178.6	179.7	175.3	-179.2	-175.9	0	111.6	A388 A389 E396 Y635	A388-K392 WeakPolarHBondContact O-CB 3.32Å; A388-K392 PolarHBondContact O-N 3.24Å; A389-K392 PolarHBondContact O-N 3Å; K392-E396 WeakPolarHBondContact O-CB 3.43Å; K392-E396 WeakPolarHBondContact O-CG 3.27Å; K392-E396 PolarHBondContact O-N 3.44Å; K392-Y635 WeakPolarHBondContact CB-OH 3.29Å; K392-Y635 WeakPolarHBondContact CG-OH 3.16Å
393	E	93.2	Very high	89.3	Confident	94 Å²	94	51.5 Å²	51.5	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-47.6	178.3	-168.6	-162.6	165.3	0	0	111.3	H26 A389 L390 V391 E396 N397	H26-E393 HydrophobicContact CB-CG 4.37Å; A389-E393 PolarHBondContact O-N 3.21Å; L390-E393 PolarHBondContact O-N 2.94Å; V391-E393 PolarHBondContact O-N 3.24Å; E393-E396 PolarHBondContact O-N 3.04Å; E393-N397 WeakPolarHBondContact O-CB 3.33Å; E393-N397 VanDerWaalsContact O-CG 3.27Å; E393-N397 PolarHBondContact O-N 2.97Å; E393-N397 PolarHBondContact O-ND2 2.98Å
394	A	92.4	Very high	90.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.5	-49.6	-179.7	0	0	0	0	0	112.4	H26 F29 L390 V391 N397 V398 I677	H26-A394 WeakPolarHBondContact NE2-CB 3.4Å; F29-A394 HydrophobicContact CE1-CB 4.06Å; L390-A394 VanDerWaalsContact O-CB 3.28Å; L390-A394 WeakPolarHBondContact O-CB 3.46Å; L390-A394 PolarHBondContact O-N 3.05Å; V391-A394 PolarHBondContact O-N 3.27Å; A394-N397 PolarHBondContact O-N 3.46Å; A394-V398 WeakPolarHBondContact O-CG2 3.38Å; A394-V398 PolarHBondContact O-N 3.25Å; A394-V398 VanDerWaalsContact O-N 3.12Å; A394-I677 HydrophobicContact CB-CG2 4.02Å; A394-I677 VanDerWaalsContact CB-O 3.31Å; A394-I677 WeakPolarHBondContact CB-O 3.37Å
395	V	93.1	Very high	91.1	Very high	1 Å²	1	49 Å²	49	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-65.3	-44	-178.8	174.1	0	0	0	0	111	V391 N397 V398 K399 L633 Y635 L660 I677	V391-V395 HydrophobicContact CG1-CG2 4.23Å; V391-V395 WeakPolarHBondContact O-CB 3.26Å; V391-V395 VanDerWaalsContact O-CG2 3.29Å; V391-V395 WeakPolarHBondContact O-CG2 3.46Å; V391-V395 PolarHBondContact O-N 3.01Å; V395-N397 VanDerWaalsContact C-N 3.32Å; V395-N397 PolarHBondContact O-N 3.43Å; V395-V398 PolarHBondContact O-N 3.21Å; V395-K399 VanDerWaalsContact O-CB 3.29Å; V395-K399 WeakPolarHBondContact O-CB 3.46Å; V395-K399 PolarHBondContact O-N 3.42Å; V395-L633 HydrophobicContact CG1-CD2 3.93Å; V395-L633 HydrophobicContact CG1-CG 4.07Å; V395-Y635 HydrophobicContact CB-CD1 4.14Å; V395-Y635 HydrophobicContact CB-CE1 4.42Å; V395-Y635 HydrophobicContact CG1-CD1 3.58Å; V395-Y635 HydrophobicContact CG1-CE1 4.17Å; V395-Y635 HydrophobicContact CG1-CG 4.14Å; V395-Y635 HydrophobicContact CG2-CD1 4.41Å; V395-Y635 HydrophobicContact CG2-CG 4.28Å; V395-L660 HydrophobicContact CG2-CD2 3.97Å; V395-I677 HydrophobicContact CG2-CG2 4.18Å
396	E	93.9	Very high	91.7	Very high	57 Å²	57	44.8 Å²	44.8	27%	0.266	21%	0.205	S	C	.	.	H	α-helix	trans	-66.7	-33	178.4	-72.4	-60	144.3	0	0	112.7	K392 E393 R400	K392-E396 WeakPolarHBondContact O-CB 3.43Å; K392-E396 WeakPolarHBondContact O-CG 3.27Å; K392-E396 PolarHBondContact O-N 3.44Å; E393-E396 PolarHBondContact O-N 3.04Å; E396-R400 WeakPolarHBondContact O-CG 3.38Å; E396-R400 PolarHBondContact O-N 3.38Å; E396-R400 VanDerWaalsContact O-N 3.11Å; E396-R400 PolarHBondContact O-NE 2.96Å
397	N	92.9	Very high	92.1	Very high	16 Å²	16	38.5 Å²	38.5	9%	0.086	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-46.4	174.3	-78.5	-25.8	0	0	0	112.1	E393 A394 V395 K399 R400 R401	E393-N397 WeakPolarHBondContact O-CB 3.33Å; E393-N397 VanDerWaalsContact O-CG 3.27Å; E393-N397 PolarHBondContact O-N 2.97Å; E393-N397 PolarHBondContact O-ND2 2.98Å; A394-N397 PolarHBondContact O-N 3.46Å; V395-N397 VanDerWaalsContact C-N 3.32Å; V395-N397 PolarHBondContact O-N 3.43Å; N397-K399 VanDerWaalsContact C-N 3.34Å; N397-R400 PolarHBondContact O-N 2.73Å; N397-R400 PolarHBondContact OD1-NH2 3.32Å; N397-R401 WeakPolarHBondContact O-CB 3.45Å; N397-R401 PolarHBondContact O-N 3.33Å
398	V	92.9	Very high	92.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-34.5	177.7	178	0	0	0	0	111.6	A394 V395 R400 G402 F403 P630 E676 I677	A394-V398 WeakPolarHBondContact O-CG2 3.38Å; A394-V398 PolarHBondContact O-N 3.25Å; A394-V398 VanDerWaalsContact O-N 3.12Å; V395-V398 PolarHBondContact O-N 3.21Å; V398-R400 VanDerWaalsContact C-N 3.32Å; V398-R400 PolarHBondContact O-N 2.93Å; V398-G402 WeakPolarHBondContact O-CA 3.31Å; V398-G402 PolarHBondContact O-N 3.46Å; V398-F403 HydrophobicContact CG1-CD1 4.37Å; V398-P630 HydrophobicContact CG1-CG 4Å; V398-E676 HydrophobicContact CG2-CB 4.12Å; V398-E676 HydrophobicContact CG2-CG 3.56Å; V398-I677 HydrophobicContact CB-CG1 3.91Å; V398-I677 HydrophobicContact CG1-CG1 4.07Å; V398-I677 HydrophobicContact CG2-CB 4.45Å; V398-I677 HydrophobicContact CG2-CG1 3.6Å
399	K	93.3	Very high	91.9	Very high	97 Å²	97	38.4 Å²	38.4	42%	0.422	18%	0.178	S	C	.	.	H	α-helix	trans	-60	-40.6	173.3	-168.8	171.9	178.3	173.7	0	112.7	V395 N397 L633	V395-K399 VanDerWaalsContact O-CB 3.29Å; V395-K399 WeakPolarHBondContact O-CB 3.46Å; V395-K399 PolarHBondContact O-N 3.42Å; N397-K399 VanDerWaalsContact C-N 3.34Å; K399-L633 HydrophobicContact CB-CD2 4.02Å
400	R	91.2	Very high	91.4	Very high	161 Å²	161	38.4 Å²	38.4	61%	0.608	17%	0.168	S	C	*	.	H	α-helix	trans	-84.4	-40.6	-177.8	-71.8	-174.8	-60.6	-140.2	1.4	113.9	E396 N397 V398	E396-R400 WeakPolarHBondContact O-CG 3.38Å; E396-R400 PolarHBondContact O-N 3.38Å; E396-R400 VanDerWaalsContact O-N 3.11Å; E396-R400 PolarHBondContact O-NE 2.96Å; N397-R400 PolarHBondContact O-N 2.73Å; N397-R400 PolarHBondContact OD1-NH2 3.32Å; V398-R400 VanDerWaalsContact C-N 3.32Å; V398-R400 PolarHBondContact O-N 2.93Å
401	R	90.3	Very high	91.2	Very high	124 Å²	124	40 Å²	40	47%	0.468	17%	0.173	S	C	.	.	H	α-helix	trans	-107	-10.8	-170.1	-59.6	-173.5	174.1	-168.3	-0.7	113.9	I23 N397	I23-R401 HydrophobicContact CG2-CB 3.73Å; N397-R401 WeakPolarHBondContact O-CB 3.45Å; N397-R401 PolarHBondContact O-N 3.33Å
402	G	93.4	Very high	90.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	18%	0.175	C	C	.	.			trans	67.5	-152.9	-171.7	0	0	0	0	0	112.6	V398 A628	V398-G402 WeakPolarHBondContact O-CA 3.31Å; V398-G402 PolarHBondContact O-N 3.46Å; G402-A628 CarbonylContact C-O 3.36Å; G402-A628 WeakPolarHBondContact CA-O 3.19Å
403	F	94.8	Very high	89.8	Confident	1 Å²	1	36.2 Å²	36.2	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	161	-179.6	60.9	-85.8	0	0	0	110.2	V398 N405 L627 A628 L664 I672 C673 E676	V398-F403 HydrophobicContact CG1-CD1 4.37Å; F403-N405 PolarHBondContact O-N 3.47Å; F403-L627 WeakPolarHBondContact O-CA 3.33Å; F403-A628 VanDerWaalsContact CD1-O 3.27Å; F403-A628 WeakPolarHBondContact CD1-O 3.34Å; F403-A628 HydrophobicContact CD2-CB 4.42Å; F403-A628 HydrophobicContact CE1-CB 3.9Å; F403-A628 HydrophobicContact CE2-CB 3.83Å; F403-A628 HydrophobicContact CZ-CB 3.53Å; F403-A628 PolarHBondContact N-O 3.05Å; F403-A628 PolarHBondContact O-N 2.99Å; F403-L664 HydrophobicContact CE1-CD2 3.83Å; F403-L664 HydrophobicContact CZ-CD1 4.36Å; F403-L664 HydrophobicContact CZ-CD2 3.94Å; F403-I672 HydrophobicContact CD2-CB 4.49Å; F403-I672 HydrophobicContact CD2-CG2 3.73Å; F403-I672 HydrophobicContact CE2-CB 4.38Å; F403-I672 HydrophobicContact CE2-CG2 4.02Å; F403-C673 HydrophobicContact CD1-CB 3.99Å; F403-C673 HydrophobicContact CE1-CB 3.69Å; F403-C673 HydrophobicContact CE2-CB 4.3Å; F403-C673 HydrophobicContact CG-CB 4.43Å; F403-C673 HydrophobicContact CZ-CB 3.85Å; F403-E676 HydrophobicContact CB-CB 3.63Å; F403-E676 HydrophobicContact CB-CG 3.74Å
404	V	95.1	Very high	87.8	Confident	1 Å²	1	36 Å²	36	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	128.7	174.2	-170.2	0	0	0	0	109.5	Y21 I23 Y406 A521 L525 L626 L627 I672	Y21-V404 HydrophobicContact CD1-CG2 4.44Å; I23-V404 HydrophobicContact CD1-CG2 3.77Å; I23-V404 HydrophobicContact CG1-CG2 3.72Å; V404-Y406 HydrophobicContact CB-CD2 3.76Å; V404-Y406 HydrophobicContact CB-CE2 3.49Å; V404-Y406 VanDerWaalsContact CB-CE2 3.49Å; V404-Y406 HydrophobicContact CB-CG 4.44Å; V404-Y406 HydrophobicContact CG1-CD1 4.1Å; V404-Y406 HydrophobicContact CG1-CD2 3.89Å; V404-Y406 HydrophobicContact CG1-CE1 3.79Å; V404-Y406 HydrophobicContact CG1-CE2 3.57Å; V404-Y406 HydrophobicContact CG1-CG 4.15Å; V404-Y406 HydrophobicContact CG2-CE2 4.04Å; V404-Y406 PolarHBondContact O-N 3.03Å; V404-A521 HydrophobicContact CG1-CB 4.11Å; V404-L525 HydrophobicContact CB-CD1 4.35Å; V404-L525 HydrophobicContact CG1-CD1 3.89Å; V404-L525 HydrophobicContact CG2-CD1 3.46Å; V404-L525 VanDerWaalsContact CG2-CD1 3.46Å; V404-L626 HydrophobicContact CG1-CD1 4.34Å; V404-L627 HydrophobicContact CG2-CD2 4.46Å; V404-I672 VanDerWaalsContact O-CG2 3.26Å; V404-I672 WeakPolarHBondContact O-CG2 3.49Å
405	N	95.4	Very high	85.9	Confident	6 Å²	6	38.3 Å²	38.3	3%	0.032	20%	0.198	C	C	.	.			trans	-78	47.2	-171.4	-164.2	11.9	0	0	0	114.1	F403 W517 R624 P625 L626 A628	F403-N405 PolarHBondContact O-N 3.47Å; N405-W517 HydrophobicContact CB-CH2 4.07Å; N405-W517 VanDerWaalsContact O-CH2 3.3Å; N405-W517 WeakPolarHBondContact O-CH2 3.42Å; N405-W517 WeakPolarHBondContact O-CZ3 3.13Å; N405-R624 VanDerWaalsContact CG-NH2 3.26Å; N405-R624 VanDerWaalsContact O-CZ 3.3Å; N405-R624 PolarHBondContact O-NE 3.48Å; N405-R624 PolarHBondContact O-NH2 3.47Å; N405-R624 PolarHBondContact OD1-NH2 2.77Å; N405-P625 VanDerWaalsContact CB-O 3.31Å; N405-P625 WeakPolarHBondContact CB-O 3.39Å; N405-P625 PolarHBondContact ND2-O 2.87Å; N405-L626 PolarHBondContact N-O 3.35Å; N405-A628 HydrophobicContact CB-CB 3.99Å
406	Y	95	Very high	83.9	Confident	3 Å²	3	45 Å²	45	1%	0.012	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-56.7	149.8	179	-67.4	-58.4	0	0	0	112.9	V18 P19 Y21 V404 G408 W517 N518 A521 Y669 I672	V18-Y406 HydrophobicContact CG1-CD1 4.29Å; V18-Y406 HydrophobicContact CG1-CD2 3.91Å; V18-Y406 HydrophobicContact CG1-CG 3.73Å; P19-Y406 HydrophobicContact CB-CE1 4.34Å; P19-Y406 HydrophobicContact CG-CE1 4.37Å; Y21-Y406 WeakPolarHBondContact CB-OH 3.42Å; V404-Y406 HydrophobicContact CB-CD2 3.76Å; V404-Y406 HydrophobicContact CB-CE2 3.49Å; V404-Y406 VanDerWaalsContact CB-CE2 3.49Å; V404-Y406 HydrophobicContact CB-CG 4.44Å; V404-Y406 HydrophobicContact CG1-CD1 4.1Å; V404-Y406 HydrophobicContact CG1-CD2 3.89Å; V404-Y406 HydrophobicContact CG1-CE1 3.79Å; V404-Y406 HydrophobicContact CG1-CE2 3.57Å; V404-Y406 HydrophobicContact CG1-CG 4.15Å; V404-Y406 HydrophobicContact CG2-CE2 4.04Å; V404-Y406 PolarHBondContact O-N 3.03Å; Y406-G408 PolarHBondContact O-N 3.29Å; Y406-W517 HydrophobicContact CD1-CZ3 4.24Å; Y406-N518 WeakPolarHBondContact CA-OD1 3.41Å; Y406-N518 HydrophobicContact CD1-CB 3.87Å; Y406-N518 WeakPolarHBondContact CD1-OD1 3.25Å; Y406-N518 HydrophobicContact CE1-CB 4.32Å; Y406-N518 WeakPolarHBondContact CE1-O 3.3Å; Y406-A521 HydrophobicContact CD1-CB 4.43Å; Y406-A521 HydrophobicContact CE1-CB 3.85Å; Y406-Y669 WeakPolarHBondContact O-CD2 3.3Å; Y406-I672 HydrophobicContact CD2-CG2 4.36Å
407	Y	91.8	Very high	82	Confident	15 Å²	15	43 Å²	43	6%	0.059	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-72.2	122	160.8	-73.1	-81.1	0	0	0	109	R411 F412 S514 W517 N518 M580 Y669	Y407-R411 HydrophobicContact CD1-CB 4.42Å; Y407-R411 HydrophobicContact CD1-CG 3.89Å; Y407-R411 HydrophobicContact CG-CG 4.31Å; Y407-F412 WeakPolarHBondContact O-CE2 3.3Å; Y407-S514 WeakPolarHBondContact CD1-OG 3.45Å; Y407-S514 VanDerWaalsContact CD2-CB 3.43Å; Y407-S514 WeakPolarHBondContact CE1-OG 3.32Å; Y407-S514 VanDerWaalsContact CG-CB 3.45Å; Y407-W517 HydrophobicContact CD2-CE3 4.1Å; Y407-W517 HydrophobicContact CE2-CB 4.32Å; Y407-W517 HydrophobicContact CE2-CD2 4.26Å; Y407-W517 HydrophobicContact CE2-CE3 4.26Å; Y407-W517 HydrophobicContact CE2-CG 4.28Å; Y407-N518 PolarHBondContact N-OD1 2.9Å; Y407-N518 PolarHBondContact O-ND2 2.99Å; Y407-M580 HydrophobicContact CE2-SD 3.7Å; Y407-M580 WeakPolarHBondContact OH-CE 3.47Å; Y407-M580 PolarHBondContact OH-SD 2.93Å; Y407-Y669 AromaticContact CD1-CE2 3.64Å; Y407-Y669 HydrophobicContact CD1-CE2 3.64Å; Y407-Y669 AromaticContact CD1-CZ 3.95Å; Y407-Y669 HydrophobicContact CE1-CE2 4.26Å; Y407-Y669 HydrophobicContact CG-CE2 4.38Å
408	G	87	Confident	80.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-71.5	165.9	179.7	0	0	0	0	0	113.9	Y406 Q410 R411	Y406-G408 PolarHBondContact O-N 3.29Å; G408-Q410 PolarHBondContact O-N 3.38Å; G408-R411 VanDerWaalsContact O-CB 3.25Å; G408-R411 WeakPolarHBondContact O-CB 3.42Å; G408-R411 PolarHBondContact O-N 3.17Å
409	P	81.2	Confident	79.8	Confident	33 Å²	33	45.1 Å²	45.1	21%	0.214	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-53.6	-29.7	179.2	-26.3	34.7	0	0	0	113.6	V18 R411 F412 G413	V18-P409 HydrophobicContact CG2-CG 4.2Å; P409-R411 PolarHBondContact O-N 3.28Å; P409-R411 VanDerWaalsContact O-N 3.1Å; P409-F412 PolarHBondContact O-N 3.45Å; P409-G413 CarbonylContact O-C 3.52Å; P409-G413 PolarHBondContact O-N 2.82Å; P409-G413 VanDerWaalsContact O-N 3.08Å
410	Q	79.5	Confident	79.6	Confident	60 Å²	60	40.8 Å²	40.8	28%	0.28	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-57.4	-25.8	175.7	-60	78.2	13.6	0	0	113.1	G408 T671	G408-Q410 PolarHBondContact O-N 3.38Å; Q410-T671 VanDerWaalsContact NE2-CG2 3.32Å; Q410-T671 PolarHBondContact OE1-OG1 3.48Å
411	R	84.1	Confident	79.5	Confident	48 Å²	48	33.1 Å²	33.1	18%	0.181	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-73.3	-30.5	177.3	-176.2	55.3	168	-168.1	-2.2	112.7	Y407 G408 P409 F507 H510 S514	Y407-R411 HydrophobicContact CD1-CB 4.42Å; Y407-R411 HydrophobicContact CD1-CG 3.89Å; Y407-R411 HydrophobicContact CG-CG 4.31Å; G408-R411 VanDerWaalsContact O-CB 3.25Å; G408-R411 WeakPolarHBondContact O-CB 3.42Å; G408-R411 PolarHBondContact O-N 3.17Å; P409-R411 PolarHBondContact O-N 3.28Å; P409-R411 VanDerWaalsContact O-N 3.1Å; R411-F507 WeakPolarHBondContact O-CZ 3.29Å; R411-H510 VanDerWaalsContact NH2-CB 3.3Å; R411-S514 PolarHBondContact NE-OG 2.96Å
412	F	84	Confident	79.6	Confident	10 Å²	10	30 Å²	30	4%	0.044	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-17.5	-175.3	-51.3	-65.5	0	0	0	112.3	V16 Y407 P409 S420 D421 A511 R515	V16-F412 HydrophobicContact CG1-CD2 4.05Å; V16-F412 HydrophobicContact CG1-CE2 4.28Å; V16-F412 HydrophobicContact CG1-CG 4.2Å; Y407-F412 WeakPolarHBondContact O-CE2 3.3Å; P409-F412 PolarHBondContact O-N 3.45Å; F412-S420 WeakPolarHBondContact O-CB 3.49Å; F412-S420 PolarHBondContact O-N 3.48Å; F412-S420 PolarHBondContact O-OG 3.08Å; F412-D421 HydrophobicContact CD1-CB 4.06Å; F412-A511 VanDerWaalsContact CE1-O 3.32Å; F412-A511 WeakPolarHBondContact CE1-O 3.42Å; F412-R515 HydrophobicContact CE1-CB 3.85Å; F412-R515 HydrophobicContact CZ-CB 4.35Å
413	G	70.6	Confident	79.6	Confident	32 Å²	32	29.9 Å²	29.9	33%	0.33	17%	0.174	S	C	.	.			trans	126	122.9	-178.8	0	0	0	0	0	109.3	P409	P409-G413 CarbonylContact O-C 3.52Å; P409-G413 PolarHBondContact O-N 2.82Å; P409-G413 VanDerWaalsContact O-N 3.08Å
414	S	52.7	Low	79.6	Confident	89 Å²	89	29.9 Å²	29.9	62%	0.622	17%	0.174	S	C	*	.	S	Bend	trans	-84.7	116.6	175.5	-66	0	0	0	0	110
415	G	50.9	Low	79.6	Confident	49 Å²	49	31 Å²	31	51%	0.505	18%	0.179	S	C	.	.	S	Bend	trans	81.3	133.9	-169	0	0	0	0	0	110.4	S417	G415-S417 PolarHBondContact O-N 2.86Å
416	Q	52	Low	79.6	Confident	142 Å²	142	30.9 Å²	30.9	66%	0.664	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	15.3	-166.8	-72.2	150.9	-37.2	0	0	117.3
417	S	54.6	Low	79.7	Confident	14 Å²	14	30.7 Å²	30.7	10%	0.098	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-36.9	-172	-152.8	0	0	0	0	116.3	G415 E443 K453	G415-S417 PolarHBondContact O-N 2.86Å; S417-E443 VanDerWaalsContact CA-CG 3.44Å; S417-E443 VanDerWaalsContact CB-CD 3.44Å; S417-E443 VanDerWaalsContact CB-CG 3.45Å; S417-E443 WeakPolarHBondContact CB-OE1 3.48Å; S417-E443 WeakPolarHBondContact OG-CG 3.31Å; S417-E443 PolarHBondContact OG-OE1 2.81Å; S417-K453 PolarHBondContact O-NZ 2.9Å; S417-K453 VanDerWaalsContact O-NZ 3.11Å; S417-K453 PolarHBondContact OG-NZ 2.85Å
418	V	60.6	Low	79.9	Confident	20 Å²	20	30.4 Å²	30.4	12%	0.121	18%	0.178	C	C	.	.			trans	-148.1	109.3	-176.6	-176.3	0	0	0	0	108.6	S420 V423 Y508	V418-S420 VanDerWaalsContact C-N 3.28Å; V418-S420 PolarHBondContact O-N 3.19Å; V418-S420 PolarHBondContact O-OG 3.35Å; V418-V423 HydrophobicContact CG1-CG2 4.14Å; V418-Y508 HydrophobicContact CG1-CE1 4.15Å
419	L	77.6	Confident	80.2	Confident	41 Å²	41	35.3 Å²	35.3	22%	0.215	20%	0.2	C	C	.	.			trans	-75	83.3	175.1	-62	169	0	0	0	108.6	D421 R422 V423	L419-D421 PolarHBondContact O-N 3.29Å; L419-R422 HydrophobicContact CB-CB 3.92Å; L419-R422 HydrophobicContact CB-CG 3.85Å; L419-R422 HydrophobicContact CD1-CG 4.43Å; L419-R422 PolarHBondContact O-N 3.22Å; L419-V423 PolarHBondContact O-N 3Å
420	S	88.9	Confident	80.8	Confident	7 Å²	7	38 Å²	38	5%	0.049	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-31.9	-167.9	-57.5	0	0	0	0	112.6	F412 V418 G424	F412-S420 WeakPolarHBondContact O-CB 3.49Å; F412-S420 PolarHBondContact O-N 3.48Å; F412-S420 PolarHBondContact O-OG 3.08Å; V418-S420 VanDerWaalsContact C-N 3.28Å; V418-S420 PolarHBondContact O-N 3.19Å; V418-S420 PolarHBondContact O-OG 3.35Å; S420-G424 PolarHBondContact O-N 2.92Å
421	D	90.1	Very high	81.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-42.2	172.3	63.7	-51.7	0	0	0	112.4	V16 F412 L419 G424 L425 R515	V16-D421 WeakPolarHBondContact CG2-OD2 3.32Å; F412-D421 HydrophobicContact CD1-CB 4.06Å; L419-D421 PolarHBondContact O-N 3.29Å; D421-G424 CarbonylContact O-C 3.33Å; D421-G424 WeakPolarHBondContact O-CA 3.28Å; D421-G424 PolarHBondContact O-N 2.93Å; D421-L425 PolarHBondContact O-N 3.3Å; D421-R515 HydrophobicContact CB-CB 4.34Å; D421-R515 VanDerWaalsContact OD2-CD 3.28Å; D421-R515 WeakPolarHBondContact OD2-CD 3.31Å; D421-R515 IonicContact OD2-CZ 2.93Å; D421-R515 IonicContact OD2-NE 3.12Å; D421-R515 IonicContact OD2-NH1 2.68Å; D421-R515 PolarHBondContact OD2-NH1 3.06Å
422	R	91.8	Very high	82	Confident	57 Å²	57	36.7 Å²	36.7	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-69.9	-40.5	178.7	-63.9	-169.4	-178.3	-168.5	-5.8	111.8	D13 L419 G424 L425 A426 L438	D13-R422 IonicContact OD1-CZ 2.68Å; D13-R422 IonicContact OD1-NH1 2.96Å; D13-R422 PolarHBondContact OD1-NH1 3.34Å; D13-R422 IonicContact OD1-NH2 3.84Å; D13-R422 PolarHBondContact OD1-NH2 2.76Å; D13-R422 IonicContact OD2-CZ 3.39Å; D13-R422 IonicContact OD2-NH1 3.05Å; D13-R422 PolarHBondContact OD2-NH1 3.13Å; D13-R422 IonicContact OD2-NH2 2.87Å; L419-R422 HydrophobicContact CB-CB 3.92Å; L419-R422 HydrophobicContact CB-CG 3.85Å; L419-R422 HydrophobicContact CD1-CG 4.43Å; L419-R422 PolarHBondContact O-N 3.22Å; R422-G424 VanDerWaalsContact C-N 3.25Å; R422-G424 PolarHBondContact O-N 3.26Å; R422-L425 WeakPolarHBondContact O-CB 3.5Å; R422-L425 PolarHBondContact O-N 3.38Å; R422-A426 PolarHBondContact O-N 3.26Å; R422-L438 HydrophobicContact CB-CD1 4.17Å; R422-L438 HydrophobicContact CB-CD2 4.48Å
423	V	94.1	Very high	82.5	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58	-44.1	169.6	176.5	0	0	0	0	109.7	V418 L419 L425 A426 L427 L438 W497 Y508	V418-V423 HydrophobicContact CG1-CG2 4.14Å; L419-V423 PolarHBondContact O-N 3Å; V423-L425 PolarHBondContact O-N 3.2Å; V423-A426 PolarHBondContact O-N 2.97Å; V423-L427 HydrophobicContact CG1-CD1 4.23Å; V423-L427 VanDerWaalsContact O-CG 3.3Å; V423-L427 WeakPolarHBondContact O-CG 3.45Å; V423-L427 PolarHBondContact O-N 3.36Å; V423-L438 HydrophobicContact CG2-CB 3.65Å; V423-W497 HydrophobicContact CG1-CH2 3.41Å; V423-W497 VanDerWaalsContact CG1-CH2 3.41Å; V423-W497 HydrophobicContact CG1-CZ2 3.65Å; V423-Y508 HydrophobicContact CB-CD1 3.7Å; V423-Y508 HydrophobicContact CB-CE1 4.33Å; V423-Y508 HydrophobicContact CB-CG 4.23Å; V423-Y508 HydrophobicContact CG1-CD1 3.51Å; V423-Y508 HydrophobicContact CG1-CD2 4.32Å; V423-Y508 HydrophobicContact CG1-CE1 4.06Å; V423-Y508 HydrophobicContact CG1-CG 3.66Å; V423-Y508 HydrophobicContact CG2-CD1 4.38Å
424	G	94.9	Very high	83.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.3	-43.9	174.8	0	0	0	0	0	113.7	S420 D421 R422 L427 L428 Y508	S420-G424 PolarHBondContact O-N 2.92Å; D421-G424 CarbonylContact O-C 3.33Å; D421-G424 WeakPolarHBondContact O-CA 3.28Å; D421-G424 PolarHBondContact O-N 2.93Å; R422-G424 VanDerWaalsContact C-N 3.25Å; R422-G424 PolarHBondContact O-N 3.26Å; G424-L427 PolarHBondContact O-N 3.4Å; G424-L428 WeakPolarHBondContact O-CB 3.48Å; G424-L428 VanDerWaalsContact O-CG 3.31Å; G424-L428 WeakPolarHBondContact O-CG 3.24Å; G424-L428 PolarHBondContact O-N 2.78Å; G424-Y508 VanDerWaalsContact CA-O 3.24Å; G424-Y508 WeakPolarHBondContact CA-O 3.38Å
425	L	95.7	Very high	85.7	Confident	24 Å²	24	35.2 Å²	35.2	13%	0.126	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-47.5	176	178.2	55.1	0	0	0	111.7	D421 R422 V423 L427 L428 K429 Y512 D603 L605	D421-L425 PolarHBondContact O-N 3.3Å; R422-L425 WeakPolarHBondContact O-CB 3.5Å; R422-L425 PolarHBondContact O-N 3.38Å; V423-L425 PolarHBondContact O-N 3.2Å; L425-L427 VanDerWaalsContact C-N 3.3Å; L425-L427 PolarHBondContact O-N 3.46Å; L425-L428 PolarHBondContact O-N 2.82Å; L425-K429 HydrophobicContact CD1-CD 4.36Å; L425-K429 HydrophobicContact CD1-CG 4.4Å; L425-K429 HydrophobicContact CG-CD 4.46Å; L425-K429 WeakPolarHBondContact O-CG 3.37Å; L425-K429 PolarHBondContact O-N 3.11Å; L425-Y512 HydrophobicContact CB-CD2 3.69Å; L425-Y512 HydrophobicContact CB-CE2 3.96Å; L425-Y512 HydrophobicContact CB-CG 4.43Å; L425-Y512 HydrophobicContact CD1-CD2 4.21Å; L425-Y512 HydrophobicContact CD1-CE2 3.67Å; L425-Y512 HydrophobicContact CD2-CE2 4.19Å; L425-Y512 HydrophobicContact CG-CD2 4.38Å; L425-Y512 HydrophobicContact CG-CE2 4.15Å; L425-D603 HydrophobicContact CD1-CB 4.04Å; L425-D603 HydrophobicContact CD2-CB 4.41Å; L425-L605 HydrophobicContact CD1-CD1 3.74Å; L425-L605 HydrophobicContact CD1-CD2 4.21Å; L425-L605 HydrophobicContact CD1-CG 3.89Å
426	A	95.6	Very high	87.8	Confident	4 Å²	4	33.1 Å²	33.1	3%	0.033	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-41.4	177.3	0	0	0	0	0	111.6	R422 V423 K429 E430 D431 N434 A435 L438	R422-A426 PolarHBondContact O-N 3.26Å; V423-A426 PolarHBondContact O-N 2.97Å; A426-K429 PolarHBondContact O-N 2.85Å; A426-E430 PolarHBondContact O-N 3.09Å; A426-D431 PolarHBondContact O-N 3.17Å; A426-N434 HydrophobicContact CB-CB 4.46Å; A426-A435 HydrophobicContact CB-CB 3.86Å; A426-L438 HydrophobicContact CB-CD1 3.95Å
427	L	95.6	Very high	89.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-40.7	174.9	-71.8	178	0	0	0	112.9	V423 G424 L425 K429 E430 M432 A435 W497 P509 V612 L615	V423-L427 HydrophobicContact CG1-CD1 4.23Å; V423-L427 VanDerWaalsContact O-CG 3.3Å; V423-L427 WeakPolarHBondContact O-CG 3.45Å; V423-L427 PolarHBondContact O-N 3.36Å; G424-L427 PolarHBondContact O-N 3.4Å; L425-L427 VanDerWaalsContact C-N 3.3Å; L425-L427 PolarHBondContact O-N 3.46Å; L427-K429 VanDerWaalsContact C-N 3.26Å; L427-K429 PolarHBondContact O-N 2.76Å; L427-E430 PolarHBondContact O-N 3.03Å; L427-M432 HydrophobicContact CD2-CE 4.29Å; L427-M432 HydrophobicContact CD2-SD 4.02Å; L427-A435 HydrophobicContact CD2-CB 3.64Å; L427-A435 HydrophobicContact CG-CB 3.93Å; L427-W497 HydrophobicContact CD1-CE3 4.41Å; L427-W497 HydrophobicContact CD1-CH2 4.08Å; L427-W497 HydrophobicContact CD1-CZ2 4.24Å; L427-W497 HydrophobicContact CD1-CZ3 4.16Å; L427-W497 HydrophobicContact CD2-CD2 4.03Å; L427-W497 HydrophobicContact CD2-CG 4.31Å; L427-W497 HydrophobicContact CD2-CZ2 4.14Å; L427-W497 HydrophobicContact CG-CZ2 4.38Å; L427-P509 HydrophobicContact CB-CG 4.25Å; L427-P509 HydrophobicContact CD1-CG 4.23Å; L427-V612 WeakPolarHBondContact O-CG2 3.15Å; L427-L615 HydrophobicContact CD2-CD1 3.64Å
428	L	95.6	Very high	91.5	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-68.4	-25.2	177	-74.3	169.2	0	0	0	113	G424 L425 E430 P509 Y512 L605 F610 V612 L619	G424-L428 WeakPolarHBondContact O-CB 3.48Å; G424-L428 VanDerWaalsContact O-CG 3.31Å; G424-L428 WeakPolarHBondContact O-CG 3.24Å; G424-L428 PolarHBondContact O-N 2.78Å; L425-L428 PolarHBondContact O-N 2.82Å; L428-E430 VanDerWaalsContact C-N 3.27Å; L428-P509 HydrophobicContact CD1-CB 4.4Å; L428-P509 HydrophobicContact CD2-CB 4.18Å; L428-P509 HydrophobicContact CG-CB 4.13Å; L428-Y512 HydrophobicContact CD1-CD1 3.4Å; L428-Y512 HydrophobicContact CD1-CE1 4.03Å; L428-Y512 HydrophobicContact CD1-CG 3.99Å; L428-L605 HydrophobicContact CB-CD1 4.26Å; L428-L605 HydrophobicContact CB-CD2 3.9Å; L428-L605 HydrophobicContact CD1-CD1 4.08Å; L428-F610 HydrophobicContact CD2-CD1 4.3Å; L428-V612 HydrophobicContact CD2-CG2 4.33Å; L428-L619 HydrophobicContact CD2-CD1 4.46Å
429	K	94.6	Very high	92.9	Very high	103 Å²	103	33 Å²	33	45%	0.448	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-2.5	170.1	-70.7	-179.5	173.7	-179.3	0	113.8	L425 A426 L427 D431 D603 L605	L425-K429 HydrophobicContact CD1-CD 4.36Å; L425-K429 HydrophobicContact CD1-CG 4.4Å; L425-K429 HydrophobicContact CG-CD 4.46Å; L425-K429 WeakPolarHBondContact O-CG 3.37Å; L425-K429 PolarHBondContact O-N 3.11Å; A426-K429 PolarHBondContact O-N 2.85Å; L427-K429 VanDerWaalsContact C-N 3.26Å; L427-K429 PolarHBondContact O-N 2.76Å; K429-D431 HydrophobicContact CB-CB 4.49Å; K429-D431 PolarHBondContact O-N 3.28Å; K429-D603 WeakPolarHBondContact CE-O 3.29Å; K429-D603 PolarHBondContact NZ-O 3.12Å; K429-L605 HydrophobicContact CG-CD2 3.92Å
430	E	92.9	Very high	93.5	Very high	90 Å²	90	31 Å²	31	42%	0.421	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	21	-170.3	-52.7	-154.3	-166.8	0	0	114.5	A426 L427 L428 M432 V612	A426-E430 PolarHBondContact O-N 3.09Å; L427-E430 PolarHBondContact O-N 3.03Å; L428-E430 VanDerWaalsContact C-N 3.27Å; E430-M432 HydrophobicContact CB-CE 4.38Å; E430-M432 PolarHBondContact O-N 2.91Å; E430-M432 VanDerWaalsContact O-N 3.08Å; E430-V612 HydrophobicContact CG-CG1 4.39Å
431	D	94.6	Very high	93.5	Very high	69 Å²	69	32.1 Å²	32.1	37%	0.369	15%	0.153	S	C	.	.			trans	-83.7	81.8	173.6	-175.4	-6.8	0	0	0	110.4	A426 K429 V433 N434 A435	A426-D431 PolarHBondContact O-N 3.17Å; K429-D431 HydrophobicContact CB-CB 4.49Å; K429-D431 PolarHBondContact O-N 3.28Å; D431-V433 VanDerWaalsContact C-N 3.34Å; D431-V433 PolarHBondContact O-N 3.03Å; D431-N434 HydrophobicContact CB-CB 4.28Å; D431-N434 VanDerWaalsContact OD1-CB 3.27Å; D431-N434 WeakPolarHBondContact OD1-CB 3.41Å; D431-N434 PolarHBondContact OD1-N 2.9Å; D431-N434 WeakPolarHBondContact OD2-CB 3.36Å; D431-A435 WeakPolarHBondContact O-CB 3.44Å; D431-A435 PolarHBondContact O-N 2.86Å
432	M	94.9	Very high	93.2	Very high	10 Å²	10	34 Å²	34	5%	0.049	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-34.7	-173.8	-63.2	-70	150.3	0	0	113	L427 E430 A435 V436 C493 V494 V612 S614 L615	L427-M432 HydrophobicContact CD2-CE 4.29Å; L427-M432 HydrophobicContact CD2-SD 4.02Å; E430-M432 HydrophobicContact CB-CE 4.38Å; E430-M432 PolarHBondContact O-N 2.91Å; E430-M432 VanDerWaalsContact O-N 3.08Å; M432-A435 PolarHBondContact O-N 2.88Å; M432-V436 WeakPolarHBondContact O-CG2 3.49Å; M432-V436 PolarHBondContact O-N 3.48Å; M432-C493 HydrophobicContact CB-CB 3.79Å; M432-V494 HydrophobicContact CB-CG2 4.36Å; M432-V494 HydrophobicContact CG-CG2 3.65Å; M432-V494 HydrophobicContact SD-CG2 4.1Å; M432-V612 HydrophobicContact CE-CG1 3.71Å; M432-S614 WeakPolarHBondContact CE-OG 3.32Å; M432-L615 HydrophobicContact CE-CD1 4.13Å; M432-L615 HydrophobicContact CE-CG 4.05Å; M432-L615 HydrophobicContact SD-CD1 4.13Å; M432-L615 HydrophobicContact SD-CD2 4.34Å; M432-L615 HydrophobicContact SD-CG 4.22Å
433	V	94.8	Very high	92.6	Very high	38 Å²	38	34.3 Å²	34.3	23%	0.23	17%	0.169	C	C	.	.	H	α-helix	trans	-69	-48.5	-178.9	178.7	0	0	0	0	109.5	D431 A435 V436 R437 P490	D431-V433 VanDerWaalsContact C-N 3.34Å; D431-V433 PolarHBondContact O-N 3.03Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.46Å; V433-V436 PolarHBondContact O-N 2.8Å; V433-R437 WeakPolarHBondContact O-CG 3.48Å; V433-R437 PolarHBondContact O-N 3.17Å; V433-P490 HydrophobicContact CG2-CB 4.49Å; V433-P490 HydrophobicContact CG2-CG 4.13Å
434	N	94.6	Very high	91.7	Very high	63 Å²	63	41.5 Å²	41.5	34%	0.337	21%	0.207	S	C	.	.	H	α-helix	trans	-64.7	-38.5	175.9	-171.4	35.8	0	0	0	111.7	A426 D431 V436 R437 L438	A426-N434 HydrophobicContact CB-CB 4.46Å; D431-N434 HydrophobicContact CB-CB 4.28Å; D431-N434 VanDerWaalsContact OD1-CB 3.27Å; D431-N434 WeakPolarHBondContact OD1-CB 3.41Å; D431-N434 PolarHBondContact OD1-N 2.9Å; D431-N434 WeakPolarHBondContact OD2-CB 3.36Å; N434-V436 VanDerWaalsContact C-N 3.32Å; N434-V436 PolarHBondContact O-N 3.35Å; N434-R437 PolarHBondContact O-N 3.2Å; N434-L438 WeakPolarHBondContact O-CB 3.41Å; N434-L438 WeakPolarHBondContact O-CG 3.4Å; N434-L438 PolarHBondContact O-N 2.83Å
435	A	95	Very high	90.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-42.3	175.3	0	0	0	0	0	112.3	A426 L427 D431 M432 V433 F439 W497	A426-A435 HydrophobicContact CB-CB 3.86Å; L427-A435 HydrophobicContact CD2-CB 3.64Å; L427-A435 HydrophobicContact CG-CB 3.93Å; D431-A435 WeakPolarHBondContact O-CB 3.44Å; D431-A435 PolarHBondContact O-N 2.86Å; M432-A435 PolarHBondContact O-N 2.88Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.46Å; A435-F439 WeakPolarHBondContact O-CB 3.19Å; A435-F439 PolarHBondContact O-N 3.38Å; A435-W497 HydrophobicContact CB-CZ2 3.86Å
436	V	94.4	Very high	90.1	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-44.7	174.3	167.3	0	0	0	0	111.2	M432 V433 N434 L438 F439 F440 F456 M479 L483 C493	M432-V436 WeakPolarHBondContact O-CG2 3.49Å; M432-V436 PolarHBondContact O-N 3.48Å; V433-V436 PolarHBondContact O-N 2.8Å; N434-V436 VanDerWaalsContact C-N 3.32Å; N434-V436 PolarHBondContact O-N 3.35Å; V436-L438 PolarHBondContact O-N 2.85Å; V436-F439 WeakPolarHBondContact O-CB 3.18Å; V436-F439 PolarHBondContact O-N 3.24Å; V436-F440 HydrophobicContact CG1-CD2 3.91Å; V436-F440 HydrophobicContact CG1-CE2 4.02Å; V436-F440 VanDerWaalsContact O-CD2 3.3Å; V436-F440 WeakPolarHBondContact O-CD2 3.46Å; V436-F440 PolarHBondContact O-N 3.07Å; V436-F440 VanDerWaalsContact O-N 3.14Å; V436-F456 HydrophobicContact CG1-CE1 4.03Å; V436-F456 HydrophobicContact CG1-CZ 4.3Å; V436-M479 HydrophobicContact CG1-CE 4.3Å; V436-M479 HydrophobicContact CG2-CE 4.25Å; V436-L483 HydrophobicContact CG1-CD1 3.88Å; V436-L483 HydrophobicContact CG1-CD2 4.48Å; V436-C493 HydrophobicContact CG2-CB 3.81Å
437	R	92.4	Very high	89.6	Confident	145 Å²	145	51.5 Å²	51.5	55%	0.547	26%	0.264	S	S	.	.	H	α-helix	trans	-59.8	-46.9	178.1	-71.9	177.8	177.3	-170.6	-0.8	112.2	V433 N434 F439 F440 S441 L457	V433-R437 WeakPolarHBondContact O-CG 3.48Å; V433-R437 PolarHBondContact O-N 3.17Å; N434-R437 PolarHBondContact O-N 3.2Å; R437-F439 VanDerWaalsContact C-N 3.3Å; R437-F439 PolarHBondContact O-N 3.26Å; R437-F440 CarbonylContact O-C 3.58Å; R437-F440 PolarHBondContact O-N 3.25Å; R437-F440 VanDerWaalsContact O-N 3.14Å; R437-S441 PolarHBondContact O-N 2.95Å; R437-L457 HydrophobicContact CB-CD2 4.21Å; R437-L457 HydrophobicContact CG-CD2 4.24Å
438	L	91.9	Very high	89.2	Confident	27 Å²	27	55.5 Å²	55.5	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-33.1	176.9	-71.1	169.2	0	0	0	112.7	R422 V423 A426 N434 V436 F440 S441	R422-L438 HydrophobicContact CB-CD1 4.17Å; R422-L438 HydrophobicContact CB-CD2 4.48Å; V423-L438 HydrophobicContact CG2-CB 3.65Å; A426-L438 HydrophobicContact CB-CD1 3.95Å; N434-L438 WeakPolarHBondContact O-CB 3.41Å; N434-L438 WeakPolarHBondContact O-CG 3.4Å; N434-L438 PolarHBondContact O-N 2.83Å; V436-L438 PolarHBondContact O-N 2.85Å; L438-F440 VanDerWaalsContact C-N 3.31Å; L438-S441 PolarHBondContact O-N 3.29Å; L438-S441 PolarHBondContact O-OG 2.84Å; L438-S441 VanDerWaalsContact O-OG 3.14Å
439	F	91.3	Very high	88.7	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-34.3	174.6	178.2	-78.8	0	0	0	112.1	A435 V436 R437 R475 E476 M479 W497 L500 Y508	A435-F439 WeakPolarHBondContact O-CB 3.19Å; A435-F439 PolarHBondContact O-N 3.38Å; V436-F439 WeakPolarHBondContact O-CB 3.18Å; V436-F439 PolarHBondContact O-N 3.24Å; R437-F439 VanDerWaalsContact C-N 3.3Å; R437-F439 PolarHBondContact O-N 3.26Å; F439-R475 HydrophobicContact CZ-CB 4.1Å; F439-E476 HydrophobicContact CE1-CB 4.47Å; F439-E476 HydrophobicContact CE1-CG 3.9Å; F439-E476 HydrophobicContact CZ-CG 4.39Å; F439-M479 HydrophobicContact CB-CE 3.7Å; F439-M479 HydrophobicContact CD1-CE 3.06Å; F439-M479 HydrophobicContact CD1-SD 4.42Å; F439-M479 HydrophobicContact CD2-CE 3.94Å; F439-M479 HydrophobicContact CE1-CE 3.49Å; F439-M479 VanDerWaalsContact CE1-CE 3.49Å; F439-M479 HydrophobicContact CE1-SD 4.43Å; F439-M479 HydrophobicContact CE2-CE 4.27Å; F439-M479 HydrophobicContact CG-CE 3.31Å; F439-M479 HydrophobicContact CZ-CE 4.09Å; F439-W497 HydrophobicContact CB-CH2 4.45Å; F439-W497 HydrophobicContact CB-CZ2 4.37Å; F439-W497 AromaticContact CD2-CH2 3.87Å; F439-W497 HydrophobicContact CD2-CH2 3.87Å; F439-W497 HydrophobicContact CD2-CZ3 4.47Å; F439-L500 HydrophobicContact CE2-CD1 4.24Å; F439-Y508 HydrophobicContact CD2-CE1 4.42Å; F439-Y508 HydrophobicContact CD2-CE2 4.48Å; F439-Y508 AromaticContact CD2-CZ 3.88Å; F439-Y508 WeakPolarHBondContact CD2-OH 3.41Å; F439-Y508 HydrophobicContact CE2-CE2 4.48Å; F439-Y508 AromaticContact CE2-CZ 3.95Å; F439-Y508 WeakPolarHBondContact CE2-OH 3.19Å
440	F	90.9	Very high	88.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	16.5	177.9	-72.9	-73.1	0	0	0	113.8	V436 R437 L438 P442 K453 F456 L457 M469 E476 M479 L480 L483	V436-F440 HydrophobicContact CG1-CD2 3.91Å; V436-F440 HydrophobicContact CG1-CE2 4.02Å; V436-F440 VanDerWaalsContact O-CD2 3.3Å; V436-F440 WeakPolarHBondContact O-CD2 3.46Å; V436-F440 PolarHBondContact O-N 3.07Å; V436-F440 VanDerWaalsContact O-N 3.14Å; R437-F440 CarbonylContact O-C 3.58Å; R437-F440 PolarHBondContact O-N 3.25Å; R437-F440 VanDerWaalsContact O-N 3.14Å; L438-F440 VanDerWaalsContact C-N 3.31Å; F440-P442 WeakPolarHBondContact O-CD 3.11Å; F440-K453 HydrophobicContact CB-CG 4.48Å; F440-K453 HydrophobicContact CD1-CG 4.04Å; F440-K453 WeakPolarHBondContact O-CB 3.32Å; F440-F456 HydrophobicContact CB-CD1 3.85Å; F440-F456 HydrophobicContact CB-CE1 4.39Å; F440-F456 HydrophobicContact CD1-CD1 4.32Å; F440-F456 AromaticContact CD2-CD1 3.61Å; F440-F456 HydrophobicContact CD2-CD1 3.61Å; F440-F456 AromaticContact CD2-CE1 3.53Å; F440-F456 HydrophobicContact CD2-CE1 3.53Å; F440-F456 HydrophobicContact CE2-CD1 4.23Å; F440-F456 HydrophobicContact CE2-CE1 4.02Å; F440-F456 AromaticContact CG-CD1 3.68Å; F440-F456 HydrophobicContact CG-CD1 3.68Å; F440-F456 HydrophobicContact CG-CE1 4.09Å; F440-L457 HydrophobicContact CB-CD2 4.25Å; F440-L457 HydrophobicContact CB-CG 4.49Å; F440-L457 WeakPolarHBondContact O-CD1 3.46Å; F440-M469 HydrophobicContact CE1-CE 4.3Å; F440-E476 HydrophobicContact CE1-CB 4.1Å; F440-E476 HydrophobicContact CE1-CG 4.33Å; F440-M479 HydrophobicContact CD2-CE 3.93Å; F440-M479 HydrophobicContact CE2-CB 4.39Å; F440-M479 HydrophobicContact CE2-CE 3.34Å; F440-M479 HydrophobicContact CE2-CG 4.31Å; F440-M479 HydrophobicContact CZ-CB 4.08Å; F440-M479 HydrophobicContact CZ-CE 3.95Å; F440-M479 HydrophobicContact CZ-CG 4.49Å; F440-L480 HydrophobicContact CE1-CD1 4.13Å; F440-L480 HydrophobicContact CE1-CD2 3.98Å; F440-L480 HydrophobicContact CE1-CG 3.82Å; F440-L480 HydrophobicContact CE2-CD2 4.34Å; F440-L480 HydrophobicContact CZ-CD1 4.44Å; F440-L480 HydrophobicContact CZ-CD2 3.75Å; F440-L480 HydrophobicContact CZ-CG 3.64Å; F440-L483 HydrophobicContact CE2-CD1 4.04Å
441	S	87.8	Confident	88.2	Confident	30 Å²	30	50.2 Å²	50.2	21%	0.21	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-55.5	122.1	171.4	-68.4	0	0	0	0	110.7	R437 L438 K453	R437-S441 PolarHBondContact O-N 2.95Å; L438-S441 PolarHBondContact O-N 3.29Å; L438-S441 PolarHBondContact O-OG 2.84Å; L438-S441 VanDerWaalsContact O-OG 3.14Å; S441-K453 WeakPolarHBondContact O-CD 3.45Å; S441-K453 WeakPolarHBondContact O-CE 3.49Å; S441-K453 PolarHBondContact O-NZ 3.26Å
442	P	83.4	Confident	88.1	Confident	40 Å²	40	47 Å²	47	26%	0.26	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-76.8	154.8	179.3	31.6	-34.7	0	0	0	111.2	F440 K453 R454	F440-P442 WeakPolarHBondContact O-CD 3.11Å; P442-K453 HydrophobicContact CB-CB 4.08Å; P442-R454 HydrophobicContact CB-CB 4.18Å; P442-R454 HydrophobicContact CG-CB 4.31Å
443	E	79.6	Confident	87.9	Confident	62 Å²	62	46.5 Å²	46.5	29%	0.29	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-82.9	165.4	164.2	-63.7	172.8	-132.6	0	0	109.8	S417 S445 S450 R454	S417-E443 VanDerWaalsContact CA-CG 3.44Å; S417-E443 VanDerWaalsContact CB-CD 3.44Å; S417-E443 VanDerWaalsContact CB-CG 3.45Å; S417-E443 WeakPolarHBondContact CB-OE1 3.48Å; S417-E443 WeakPolarHBondContact OG-CG 3.31Å; S417-E443 PolarHBondContact OG-OE1 2.81Å; E443-S445 WeakPolarHBondContact CB-OG 3.27Å; E443-S445 PolarHBondContact O-N 2.76Å; E443-S450 WeakPolarHBondContact CB-OG 3.35Å; E443-S450 PolarHBondContact N-OG 2.84Å; E443-R454 PolarHBondContact O-NH2 3.21Å
444	D	74.3	Confident	87.8	Confident	152 Å²	152	47.7 Å²	47.7	81%	0.813	25%	0.249	S	C	*	.	S	Bend	trans	-72.7	1.2	174.2	-67.2	-30.6	0	0	0	113
445	S	77.4	Confident	87.7	Confident	44 Å²	44	46.9 Å²	46.9	31%	0.308	24%	0.243	S	C	.	.	S	Bend	trans	-81.7	152.1	174.2	48.6	0	0	0	0	112.8	E443 D447 S450	E443-S445 WeakPolarHBondContact CB-OG 3.27Å; E443-S445 PolarHBondContact O-N 2.76Å; S445-D447 WeakPolarHBondContact CB-OD1 3.42Å; S445-D447 PolarHBondContact O-N 2.89Å; S445-D447 PolarHBondContact OG-OD1 2.82Å; S445-S450 WeakPolarHBondContact O-CB 3.28Å; S445-S450 PolarHBondContact OG-OG 3.06Å
446	D	79.9	Confident	87.6	Confident	144 Å²	144	47.1 Å²	47.1	77%	0.77	24%	0.244	S	C	*	.			trans	-91.1	24.3	174.4	-72.6	-34.1	0	0	0	112.9	R454	D446-R454 IonicContact OD1-NH1 2.85Å
447	D	85.7	Confident	87.5	Confident	50 Å²	50	50.4 Å²	50.4	27%	0.267	26%	0.261	S	S	.	.	S	Bend	trans	-70.2	153.2	175.7	74.2	-88.3	0	0	0	111	S445 H449 S450 L451	S445-D447 WeakPolarHBondContact CB-OD1 3.42Å; S445-D447 PolarHBondContact O-N 2.89Å; S445-D447 PolarHBondContact OG-OD1 2.82Å; D447-H449 PolarHBondContact O-N 2.76Å; D447-H449 VanDerWaalsContact O-N 3.08Å; D447-H449 WeakPolarHBondContact OD2-CA 3.35Å; D447-H449 WeakPolarHBondContact OD2-CB 3.07Å; D447-H449 PolarHBondContact OD2-N 3.01Å; D447-S450 PolarHBondContact O-N 2.91Å; D447-S450 VanDerWaalsContact O-N 3.13Å; D447-S450 VanDerWaalsContact OD1-CB 3.26Å; D447-S450 WeakPolarHBondContact OD1-CB 3.42Å; D447-S450 PolarHBondContact OD1-OG 3.18Å; D447-S450 PolarHBondContact OD2-N 3.21Å; D447-L451 PolarHBondContact O-N 3.43Å
448	P	86.1	Confident	87.5	Confident	84 Å²	84	50.6 Å²	50.6	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-57.9	-25.7	-178.1	-28.1	35.8	0	0	0	115.1	A452 P470	P448-A452 WeakPolarHBondContact O-CB 3.05Å; P448-A452 PolarHBondContact O-N 2.91Å; P448-A452 VanDerWaalsContact O-N 3.14Å; P448-P470 HydrophobicContact CB-CG 3.91Å
449	H	86.9	Confident	87.5	Confident	6 Å²	6	52.4 Å²	52.4	3%	0.028	28%	0.281	C	S	.	.	H	α-helix	trans	-74.7	-43	177.5	162.7	-109.2	0	0	0	111.3	D447 A452 K453 M469 P470 K473 E476	D447-H449 PolarHBondContact O-N 2.76Å; D447-H449 VanDerWaalsContact O-N 3.08Å; D447-H449 WeakPolarHBondContact OD2-CA 3.35Å; D447-H449 WeakPolarHBondContact OD2-CB 3.07Å; D447-H449 PolarHBondContact OD2-N 3.01Å; H449-A452 PolarHBondContact O-N 2.62Å; H449-K453 VanDerWaalsContact CE1-CE 3.42Å; H449-K453 WeakPolarHBondContact CE1-CE 3.41Å; H449-K453 WeakPolarHBondContact NE2-CE 3.42Å; H449-K453 WeakPolarHBondContact O-CG 3.47Å; H449-K453 PolarHBondContact O-N 2.98Å; H449-K453 VanDerWaalsContact O-N 3.11Å; H449-M469 VanDerWaalsContact CD2-SD 3.58Å; H449-P470 HydrophobicContact CB-CG 4.09Å; H449-K473 HydrophobicContact CB-CG 4.31Å; H449-E476 IonicContact CD2-OE1 3.15Å; H449-E476 IonicContact CE1-OE1 3.71Å; H449-E476 IonicContact NE2-OE1 2.75Å; H449-E476 PolarHBondContact NE2-OE1 3.35Å
450	S	87.5	Confident	87.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.3	-38	173.4	-63.9	0	0	0	0	112.6	E443 S445 D447 K453 R454	E443-S450 WeakPolarHBondContact CB-OG 3.35Å; E443-S450 PolarHBondContact N-OG 2.84Å; S445-S450 WeakPolarHBondContact O-CB 3.28Å; S445-S450 PolarHBondContact OG-OG 3.06Å; D447-S450 PolarHBondContact O-N 2.91Å; D447-S450 VanDerWaalsContact O-N 3.13Å; D447-S450 VanDerWaalsContact OD1-CB 3.26Å; D447-S450 WeakPolarHBondContact OD1-CB 3.42Å; D447-S450 PolarHBondContact OD1-OG 3.18Å; D447-S450 PolarHBondContact OD2-N 3.21Å; S450-K453 WeakPolarHBondContact O-CB 3.35Å; S450-K453 PolarHBondContact O-N 3Å; S450-R454 WeakPolarHBondContact O-CB 3.48Å; S450-R454 PolarHBondContact O-N 2.85Å
451	L	89.6	Confident	87.6	Confident	85 Å²	85	58.3 Å²	58.3	45%	0.445	31%	0.312	S	S	.	.	H	α-helix	trans	-61.4	-46.5	174.6	-167.3	76.5	0	0	0	111.8	D447 K453 R454 H455	D447-L451 PolarHBondContact O-N 3.43Å; L451-K453 PolarHBondContact O-N 3.21Å; L451-R454 PolarHBondContact O-N 3.21Å; L451-H455 WeakPolarHBondContact O-CB 3.24Å; L451-H455 PolarHBondContact O-N 3.28Å
452	A	91.4	Very high	87.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-38.9	179.5	0	0	0	0	0	112.7	P448 H449 F456 S465 L468 M469	P448-A452 WeakPolarHBondContact O-CB 3.05Å; P448-A452 PolarHBondContact O-N 2.91Å; P448-A452 VanDerWaalsContact O-N 3.14Å; H449-A452 PolarHBondContact O-N 2.62Å; A452-F456 PolarHBondContact O-N 2.76Å; A452-F456 VanDerWaalsContact O-N 3.09Å; A452-S465 PolarHBondContact O-OG 3.14Å; A452-L468 HydrophobicContact CB-CB 3.66Å; A452-M469 HydrophobicContact CB-CB 4.22Å; A452-M469 HydrophobicContact CB-CE 3.57Å; A452-M469 HydrophobicContact CB-SD 4.16Å
453	K	91.3	Very high	88.4	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-50.5	172.6	-83.8	175.3	158.7	-159.8	0	111.9	S417 F440 S441 P442 H449 S450 L451 H455 F456 L457 M469	S417-K453 PolarHBondContact O-NZ 2.9Å; S417-K453 VanDerWaalsContact O-NZ 3.11Å; S417-K453 PolarHBondContact OG-NZ 2.85Å; F440-K453 HydrophobicContact CB-CG 4.48Å; F440-K453 HydrophobicContact CD1-CG 4.04Å; F440-K453 WeakPolarHBondContact O-CB 3.32Å; S441-K453 WeakPolarHBondContact O-CD 3.45Å; S441-K453 WeakPolarHBondContact O-CE 3.49Å; S441-K453 PolarHBondContact O-NZ 3.26Å; P442-K453 HydrophobicContact CB-CB 4.08Å; H449-K453 VanDerWaalsContact CE1-CE 3.42Å; H449-K453 WeakPolarHBondContact CE1-CE 3.41Å; H449-K453 WeakPolarHBondContact NE2-CE 3.42Å; H449-K453 WeakPolarHBondContact O-CG 3.47Å; H449-K453 PolarHBondContact O-N 2.98Å; H449-K453 VanDerWaalsContact O-N 3.11Å; S450-K453 WeakPolarHBondContact O-CB 3.35Å; S450-K453 PolarHBondContact O-N 3Å; L451-K453 PolarHBondContact O-N 3.21Å; K453-H455 VanDerWaalsContact C-N 3.34Å; K453-H455 PolarHBondContact O-N 3.4Å; K453-F456 WeakPolarHBondContact O-CB 3.27Å; K453-F456 PolarHBondContact O-N 3.13Å; K453-L457 PolarHBondContact O-N 2.98Å; K453-L457 VanDerWaalsContact O-N 3.13Å; K453-M469 HydrophobicContact CG-CE 4.37Å
454	R	91.8	Very high	89.1	Confident	64 Å²	64	64.2 Å²	64.2	24%	0.242	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-44.1	178.4	-167.9	177.9	-59.9	121.2	4	111.6	P442 E443 D446 S450 L451 F456 L457 Q458	P442-R454 HydrophobicContact CB-CB 4.18Å; P442-R454 HydrophobicContact CG-CB 4.31Å; E443-R454 PolarHBondContact O-NH2 3.21Å; D446-R454 IonicContact OD1-NH1 2.85Å; S450-R454 WeakPolarHBondContact O-CB 3.48Å; S450-R454 PolarHBondContact O-N 2.85Å; L451-R454 PolarHBondContact O-N 3.21Å; R454-F456 VanDerWaalsContact C-N 3.31Å; R454-F456 PolarHBondContact O-N 2.95Å; R454-L457 PolarHBondContact O-N 3.02Å; R454-Q458 WeakPolarHBondContact O-CG 3.39Å; R454-Q458 PolarHBondContact O-N 2.86Å; R454-Q458 VanDerWaalsContact O-N 3.09Å
455	H	92.9	Very high	90.1	Very high	45 Å²	45	57 Å²	57	21%	0.208	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-44.7	175.3	-173.9	-81.1	0	0	0	111.8	L451 K453 L457 Q458 T459 E464 S465 L468	L451-H455 WeakPolarHBondContact O-CB 3.24Å; L451-H455 PolarHBondContact O-N 3.28Å; K453-H455 VanDerWaalsContact C-N 3.34Å; K453-H455 PolarHBondContact O-N 3.4Å; H455-L457 PolarHBondContact O-N 3.32Å; H455-Q458 PolarHBondContact O-N 3.31Å; H455-T459 PolarHBondContact CE1-OG1 3.45Å; H455-T459 VanDerWaalsContact CE1-OG1 3.25Å; H455-T459 PolarHBondContact ND1-OG1 3.04Å; H455-T459 WeakPolarHBondContact O-CB 3.07Å; H455-T459 PolarHBondContact O-N 3.15Å; H455-T459 PolarHBondContact O-OG1 3.11Å; H455-E464 VanDerWaalsContact CE1-CB 3.44Å; H455-E464 WeakPolarHBondContact CE1-CB 3.39Å; H455-E464 IonicContact CE1-OE2 3.36Å; H455-E464 PolarHBondContact CE1-OE2 3.14Å; H455-E464 IonicContact NE2-OE2 2.88Å; H455-S465 PolarHBondContact ND1-OG 3.22Å; H455-S465 VanDerWaalsContact ND1-OG 3.07Å; H455-L468 HydrophobicContact CB-CD1 3.97Å
456	F	93.8	Very high	90.9	Very high	5 Å²	5	56.3 Å²	56.3	2%	0.022	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-46.8	179.5	176.7	-113.2	0	0	0	111.4	V436 F440 A452 K453 R454 Q458 D460 P462 S465 L480 L483 T488	V436-F456 HydrophobicContact CG1-CE1 4.03Å; V436-F456 HydrophobicContact CG1-CZ 4.3Å; F440-F456 HydrophobicContact CB-CD1 3.85Å; F440-F456 HydrophobicContact CB-CE1 4.39Å; F440-F456 HydrophobicContact CD1-CD1 4.32Å; F440-F456 AromaticContact CD2-CD1 3.61Å; F440-F456 HydrophobicContact CD2-CD1 3.61Å; F440-F456 AromaticContact CD2-CE1 3.53Å; F440-F456 HydrophobicContact CD2-CE1 3.53Å; F440-F456 HydrophobicContact CE2-CD1 4.23Å; F440-F456 HydrophobicContact CE2-CE1 4.02Å; F440-F456 AromaticContact CG-CD1 3.68Å; F440-F456 HydrophobicContact CG-CD1 3.68Å; F440-F456 HydrophobicContact CG-CE1 4.09Å; A452-F456 PolarHBondContact O-N 2.76Å; A452-F456 VanDerWaalsContact O-N 3.09Å; K453-F456 WeakPolarHBondContact O-CB 3.27Å; K453-F456 PolarHBondContact O-N 3.13Å; R454-F456 VanDerWaalsContact C-N 3.31Å; R454-F456 PolarHBondContact O-N 2.95Å; F456-Q458 VanDerWaalsContact C-N 3.3Å; F456-Q458 PolarHBondContact O-N 3.29Å; F456-D460 VanDerWaalsContact O-CA 3.29Å; F456-D460 WeakPolarHBondContact O-CA 3.47Å; F456-D460 PolarHBondContact O-N 2.61Å; F456-P462 HydrophobicContact CE2-CB 4.43Å; F456-P462 HydrophobicContact CE2-CG 4.03Å; F456-S465 WeakPolarHBondContact CA-OG 2.98Å; F456-S465 VanDerWaalsContact CB-OG 3.28Å; F456-S465 WeakPolarHBondContact CB-OG 3.49Å; F456-S465 PolarHBondContact N-OG 3.37Å; F456-L480 HydrophobicContact CB-CD2 4.5Å; F456-L480 HydrophobicContact CD2-CD2 3.8Å; F456-L480 HydrophobicContact CE2-CD2 4.23Å; F456-L480 HydrophobicContact CG-CD2 4.02Å; F456-L483 HydrophobicContact CE1-CD1 4.36Å; F456-L483 HydrophobicContact CE2-CD1 4.18Å; F456-L483 HydrophobicContact CZ-CD1 3.71Å; F456-T488 HydrophobicContact CE2-CG2 4.28Å; F456-T488 HydrophobicContact CZ-CG2 4.45Å
457	L	91.6	Very high	91.5	Very high	73 Å²	73	53.5 Å²	53.5	38%	0.382	28%	0.283	S	S	.	.	H	α-helix	trans	-66.9	-28.5	-179.2	-65.7	-178.9	0	0	0	113.8	R437 F440 K453 R454 H455	R437-L457 HydrophobicContact CB-CD2 4.21Å; R437-L457 HydrophobicContact CG-CD2 4.24Å; F440-L457 HydrophobicContact CB-CD2 4.25Å; F440-L457 HydrophobicContact CB-CG 4.49Å; F440-L457 WeakPolarHBondContact O-CD1 3.46Å; K453-L457 PolarHBondContact O-N 2.98Å; K453-L457 VanDerWaalsContact O-N 3.13Å; R454-L457 PolarHBondContact O-N 3.02Å; H455-L457 PolarHBondContact O-N 3.32Å
458	Q	92.6	Very high	91.9	Very high	149 Å²	149	54.6 Å²	54.6	70%	0.696	29%	0.289	S	S	*	.	H	α-helix	trans	-84.9	-37.7	-179.6	-72.3	176	-12.5	0	0	113.2	R454 H455 F456	R454-Q458 WeakPolarHBondContact O-CG 3.39Å; R454-Q458 PolarHBondContact O-N 2.86Å; R454-Q458 VanDerWaalsContact O-N 3.09Å; H455-Q458 PolarHBondContact O-N 3.31Å; F456-Q458 VanDerWaalsContact C-N 3.3Å; F456-Q458 PolarHBondContact O-N 3.29Å
459	T	91.8	Very high	92.2	Very high	65 Å²	65	50.9 Å²	50.9	40%	0.399	26%	0.264	S	S	.	.	H	α-helix	trans	-104.7	-16.1	-170.9	63.2	0	0	0	0	113.8	H455 N461	H455-T459 PolarHBondContact CE1-OG1 3.45Å; H455-T459 VanDerWaalsContact CE1-OG1 3.25Å; H455-T459 PolarHBondContact ND1-OG1 3.04Å; H455-T459 WeakPolarHBondContact O-CB 3.07Å; H455-T459 PolarHBondContact O-N 3.15Å; H455-T459 PolarHBondContact O-OG1 3.11Å; T459-N461 PolarHBondContact O-N 3.35Å; T459-N461 VanDerWaalsContact O-N 3.13Å; T459-N461 PolarHBondContact OG1-N 2.94Å
460	D	91.7	Very high	92.3	Very high	79 Å²	79	52.1 Å²	52.1	42%	0.422	27%	0.273	S	S	.	.			trans	49.8	30	-169.3	-156.6	43.9	0	0	0	113	F456 P462 T488	F456-D460 VanDerWaalsContact O-CA 3.29Å; F456-D460 WeakPolarHBondContact O-CA 3.47Å; F456-D460 PolarHBondContact O-N 2.61Å; D460-P462 VanDerWaalsContact O-CD 3.32Å; D460-P462 WeakPolarHBondContact O-CD 3.48Å; D460-T488 WeakPolarHBondContact OD1-CG2 3.47Å; D460-T488 WeakPolarHBondContact OD2-CB 3.43Å; D460-T488 PolarHBondContact OD2-OG1 3.18Å
461	N	92.8	Very high	91.9	Very high	47 Å²	47	59.1 Å²	59.1	25%	0.251	31%	0.309	S	S	.	.			trans	-107.8	98	-178.2	-171.6	-19.2	0	0	0	111.2	T459 K463 E464 S465	T459-N461 PolarHBondContact O-N 3.35Å; T459-N461 VanDerWaalsContact O-N 3.13Å; T459-N461 PolarHBondContact OG1-N 2.94Å; N461-K463 VanDerWaalsContact C-N 3.27Å; N461-K463 PolarHBondContact O-N 3.44Å; N461-K463 WeakPolarHBondContact OD1-CB 3.5Å; N461-K463 PolarHBondContact OD1-N 2.87Å; N461-K463 VanDerWaalsContact OD1-N 3.17Å; N461-E464 PolarHBondContact ND2-OE1 3.23Å; N461-E464 PolarHBondContact ND2-OE2 3.41Å; N461-E464 VanDerWaalsContact ND2-OE2 3.11Å; N461-E464 PolarHBondContact OD1-N 2.84Å; N461-S465 PolarHBondContact O-N 2.72Å; N461-S465 PolarHBondContact O-OG 2.96Å
462	P	93.5	Very high	91.3	Very high	12 Å²	12	59.5 Å²	59.5	8%	0.078	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-27.7	-177.4	-17.9	29.1	0	0	0	113.7	F456 D460 L466 L480 L483 N484 T488	F456-P462 HydrophobicContact CE2-CB 4.43Å; F456-P462 HydrophobicContact CE2-CG 4.03Å; D460-P462 VanDerWaalsContact O-CD 3.32Å; D460-P462 WeakPolarHBondContact O-CD 3.48Å; P462-L466 WeakPolarHBondContact O-CB 3.2Å; P462-L466 PolarHBondContact O-N 3.33Å; P462-L480 HydrophobicContact CB-CD2 4.31Å; P462-L483 HydrophobicContact CB-CB 3.97Å; P462-L483 HydrophobicContact CG-CB 3.79Å; P462-N484 HydrophobicContact CB-CB 4Å; P462-T488 HydrophobicContact CG-CG2 3.82Å
463	K	94.4	Very high	90.9	Very high	147 Å²	147	63 Å²	63	64%	0.639	33%	0.334	S	S	*	.	H	α-helix	trans	-69.6	-48.6	-174.9	-173.5	-178.2	176.3	-174.8	0	111.4	N461 L466 A467	N461-K463 VanDerWaalsContact C-N 3.27Å; N461-K463 PolarHBondContact O-N 3.44Å; N461-K463 WeakPolarHBondContact OD1-CB 3.5Å; N461-K463 PolarHBondContact OD1-N 2.87Å; N461-K463 VanDerWaalsContact OD1-N 3.17Å; K463-L466 PolarHBondContact O-N 3.34Å; K463-A467 PolarHBondContact O-N 3.17Å
464	E	94.1	Very high	90.5	Very high	98 Å²	98	66.9 Å²	66.9	46%	0.458	36%	0.359	S	S	.	.	H	α-helix	trans	-67.3	-44.6	178.3	-74.1	170.3	-173.7	0	0	110.8	H455 N461 L466 A467 L468	H455-E464 VanDerWaalsContact CE1-CB 3.44Å; H455-E464 WeakPolarHBondContact CE1-CB 3.39Å; H455-E464 IonicContact CE1-OE2 3.36Å; H455-E464 PolarHBondContact CE1-OE2 3.14Å; H455-E464 IonicContact NE2-OE2 2.88Å; N461-E464 PolarHBondContact ND2-OE1 3.23Å; N461-E464 PolarHBondContact ND2-OE2 3.41Å; N461-E464 VanDerWaalsContact ND2-OE2 3.11Å; N461-E464 PolarHBondContact OD1-N 2.84Å; E464-L466 VanDerWaalsContact C-N 3.28Å; E464-L466 PolarHBondContact O-N 2.9Å; E464-A467 WeakPolarHBondContact O-CB 3.49Å; E464-A467 PolarHBondContact O-N 3.48Å; E464-L468 PolarHBondContact O-N 3.26Å; E464-L468 VanDerWaalsContact O-N 3.14Å
465	S	94.4	Very high	90.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.6	-34.6	175.3	-67.7	0	0	0	0	113	A452 H455 F456 N461 A467 L468 M469	A452-S465 PolarHBondContact O-OG 3.14Å; H455-S465 PolarHBondContact ND1-OG 3.22Å; H455-S465 VanDerWaalsContact ND1-OG 3.07Å; F456-S465 WeakPolarHBondContact CA-OG 2.98Å; F456-S465 VanDerWaalsContact CB-OG 3.28Å; F456-S465 WeakPolarHBondContact CB-OG 3.49Å; F456-S465 PolarHBondContact N-OG 3.37Å; N461-S465 PolarHBondContact O-N 2.72Å; N461-S465 PolarHBondContact O-OG 2.96Å; S465-A467 VanDerWaalsContact C-N 3.3Å; S465-A467 PolarHBondContact O-N 2.67Å; S465-L468 PolarHBondContact O-N 3.02Å; S465-M469 VanDerWaalsContact O-CB 3.31Å; S465-M469 WeakPolarHBondContact O-CB 2.7Å; S465-M469 PolarHBondContact O-N 3.25Å
466	L	94.2	Very high	90.2	Very high	29 Å²	29	66.7 Å²	66.7	15%	0.152	36%	0.357	C	S	.	.	H	α-helix	trans	-66.8	-31.6	175.2	179.4	64.5	0	0	0	112.7	P462 K463 E464 R477 L480 R481	P462-L466 WeakPolarHBondContact O-CB 3.2Å; P462-L466 PolarHBondContact O-N 3.33Å; K463-L466 PolarHBondContact O-N 3.34Å; E464-L466 VanDerWaalsContact C-N 3.28Å; E464-L466 PolarHBondContact O-N 2.9Å; L466-R477 HydrophobicContact CD1-CB 3.97Å; L466-R477 HydrophobicContact CD1-CG 4.06Å; L466-R477 PolarHBondContact O-NH1 2.79Å; L466-L480 HydrophobicContact CB-CB 4.14Å; L466-L480 HydrophobicContact CB-CD1 4.39Å; L466-L480 HydrophobicContact CD1-CB 4.14Å; L466-R481 HydrophobicContact CD1-CG 4.03Å; L466-R481 HydrophobicContact CD2-CG 3.53Å; L466-R481 HydrophobicContact CG-CG 4.46Å
467	A	94.3	Very high	90.2	Very high	86 Å²	86	68.2 Å²	68.2	71%	0.711	36%	0.363	S	S	*	.	H	α-helix	trans	-70.6	-38.5	175.4	0	0	0	0	0	111.4	K463 E464 S465	K463-A467 PolarHBondContact O-N 3.17Å; E464-A467 WeakPolarHBondContact O-CB 3.49Å; E464-A467 PolarHBondContact O-N 3.48Å; S465-A467 VanDerWaalsContact C-N 3.3Å; S465-A467 PolarHBondContact O-N 2.67Å
468	L	93.1	Very high	90.3	Very high	73 Å²	73	67.9 Å²	67.9	38%	0.382	36%	0.361	S	S	.	.	H	α-helix	trans	-73.7	-27.1	175.7	-62.1	174.8	0	0	0	113	A452 H455 E464 S465 P470	A452-L468 HydrophobicContact CB-CB 3.66Å; H455-L468 HydrophobicContact CB-CD1 3.97Å; E464-L468 PolarHBondContact O-N 3.26Å; E464-L468 VanDerWaalsContact O-N 3.14Å; S465-L468 PolarHBondContact O-N 3.02Å; L468-P470 WeakPolarHBondContact O-CD 3.46Å
469	M	92.7	Very high	90.3	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.025	33%	0.328	C	S	.	.	S	Bend	trans	-69.9	121.9	-172.5	-170.7	61.7	65.5	0	0	113.1	F440 H449 A452 K453 S465 K473 E476 R477 L480	F440-M469 HydrophobicContact CE1-CE 4.3Å; H449-M469 VanDerWaalsContact CD2-SD 3.58Å; A452-M469 HydrophobicContact CB-CB 4.22Å; A452-M469 HydrophobicContact CB-CE 3.57Å; A452-M469 HydrophobicContact CB-SD 4.16Å; K453-M469 HydrophobicContact CG-CE 4.37Å; S465-M469 VanDerWaalsContact O-CB 3.31Å; S465-M469 WeakPolarHBondContact O-CB 2.7Å; S465-M469 PolarHBondContact O-N 3.25Å; M469-K473 HydrophobicContact CG-CB 4.45Å; M469-K473 HydrophobicContact SD-CB 4.19Å; M469-E476 HydrophobicContact CE-CB 3.88Å; M469-E476 HydrophobicContact CE-CG 4.34Å; M469-E476 HydrophobicContact CG-CB 4.07Å; M469-E476 HydrophobicContact SD-CB 3.74Å; M469-E476 HydrophobicContact SD-CG 4.24Å; M469-R477 HydrophobicContact CB-CG 4.1Å; M469-R477 HydrophobicContact CG-CG 3.54Å; M469-R477 PolarHBondContact O-NH1 3.16Å; M469-L480 HydrophobicContact CB-CD1 4.11Å; M469-L480 HydrophobicContact CE-CD1 3.79Å; M469-L480 HydrophobicContact CG-CD1 4.29Å
470	P	87.9	Confident	90.5	Very high	33 Å²	33	57.7 Å²	57.7	21%	0.214	31%	0.309	C	S	.	.			trans	-57.3	144.2	-179.6	-28.4	37.2	0	0	0	114.5	P448 H449 L468 S472 K473 R477	P448-P470 HydrophobicContact CB-CG 3.91Å; H449-P470 HydrophobicContact CB-CG 4.09Å; L468-P470 WeakPolarHBondContact O-CD 3.46Å; P470-S472 PolarHBondContact O-N 3.29Å; P470-S472 VanDerWaalsContact O-N 3.17Å; P470-K473 HydrophobicContact CB-CG 4.3Å; P470-K473 PolarHBondContact O-N 3.37Å; P470-K473 VanDerWaalsContact O-N 3.07Å; P470-R477 VanDerWaalsContact O-CD 3.28Å; P470-R477 WeakPolarHBondContact O-CD 3.29Å
471	L	80.8	Confident	90.7	Very high	147 Å²	147	59.7 Å²	59.7	77%	0.77	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.5	177.9	-65	179.6	0	0	0	113.4	K473	L471-K473 PolarHBondContact O-N 3.11Å
472	S	77.2	Confident	90.8	Very high	93 Å²	93	57.8 Å²	57.8	65%	0.65	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.2	176.7	57.8	0	0	0	0	114.3	P470 P474	P470-S472 PolarHBondContact O-N 3.29Å; P470-S472 VanDerWaalsContact O-N 3.17Å; S472-P474 WeakPolarHBondContact O-CD 3.05Å
473	K	82.9	Confident	91	Very high	73 Å²	73	57.3 Å²	57.3	32%	0.317	30%	0.298	S	S	.	.			trans	-112.8	71.3	-176.7	-59.3	-67.7	-173.1	169.2	0	110.9	H449 M469 P470 L471 R475 E476 R477	H449-K473 HydrophobicContact CB-CG 4.31Å; M469-K473 HydrophobicContact CG-CB 4.45Å; M469-K473 HydrophobicContact SD-CB 4.19Å; P470-K473 HydrophobicContact CB-CG 4.3Å; P470-K473 PolarHBondContact O-N 3.37Å; P470-K473 VanDerWaalsContact O-N 3.07Å; L471-K473 PolarHBondContact O-N 3.11Å; K473-R475 VanDerWaalsContact C-N 3.33Å; K473-R475 PolarHBondContact O-N 3.18Å; K473-E476 HydrophobicContact CB-CB 4.38Å; K473-R477 VanDerWaalsContact O-CG 3.27Å; K473-R477 WeakPolarHBondContact O-CG 3.32Å; K473-R477 PolarHBondContact O-N 3.29Å
474	P	82.9	Confident	91	Very high	81 Å²	81	54.5 Å²	54.5	53%	0.526	29%	0.29	S	S	.	.	H	α-helix	trans	-66.6	-32.3	-170.1	25.9	-35.4	0	0	0	113.3	S472 R477 L478	S472-P474 WeakPolarHBondContact O-CD 3.05Å; P474-R477 PolarHBondContact O-N 3.19Å; P474-L478 WeakPolarHBondContact O-CB 3.44Å; P474-L478 VanDerWaalsContact O-CG 3.25Å; P474-L478 WeakPolarHBondContact O-CG 3.22Å; P474-L478 PolarHBondContact O-N 2.92Å
475	R	87.7	Confident	91.1	Very high	102 Å²	102	58.8 Å²	58.8	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-66.8	-49.9	-177.1	-58.1	179.8	-63.1	-172	1	110.7	F439 K473 R477 L478 M479 L500 I504	F439-R475 HydrophobicContact CZ-CB 4.1Å; K473-R475 VanDerWaalsContact C-N 3.33Å; K473-R475 PolarHBondContact O-N 3.18Å; R475-R477 VanDerWaalsContact C-N 3.32Å; R475-R477 PolarHBondContact O-N 3.05Å; R475-L478 PolarHBondContact O-N 3.45Å; R475-M479 PolarHBondContact O-N 3.29Å; R475-L500 HydrophobicContact CB-CD2 4.14Å; R475-I504 HydrophobicContact CG-CD1 4.14Å
476	E	90.8	Very high	91.1	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-59.5	-44.3	177.2	-66.6	81.5	165.4	0	0	110.8	F439 F440 H449 M469 K473 M479 L480	F439-E476 HydrophobicContact CE1-CB 4.47Å; F439-E476 HydrophobicContact CE1-CG 3.9Å; F439-E476 HydrophobicContact CZ-CG 4.39Å; F440-E476 HydrophobicContact CE1-CB 4.1Å; F440-E476 HydrophobicContact CE1-CG 4.33Å; H449-E476 IonicContact CD2-OE1 3.15Å; H449-E476 IonicContact CE1-OE1 3.71Å; H449-E476 IonicContact NE2-OE1 2.75Å; H449-E476 PolarHBondContact NE2-OE1 3.35Å; M469-E476 HydrophobicContact CE-CB 3.88Å; M469-E476 HydrophobicContact CE-CG 4.34Å; M469-E476 HydrophobicContact CG-CB 4.07Å; M469-E476 HydrophobicContact SD-CB 3.74Å; M469-E476 HydrophobicContact SD-CG 4.24Å; K473-E476 HydrophobicContact CB-CB 4.38Å; E476-M479 PolarHBondContact O-N 3.44Å; E476-L480 WeakPolarHBondContact O-CG 3.25Å; E476-L480 PolarHBondContact O-N 3.1Å
477	R	92.9	Very high	91	Very high	36 Å²	36	64.7 Å²	64.7	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-65.2	-41.3	177.8	-68.3	179.6	66.3	70	3.4	113.1	L466 M469 P470 K473 P474 R475 M479 R481	L466-R477 HydrophobicContact CD1-CB 3.97Å; L466-R477 HydrophobicContact CD1-CG 4.06Å; L466-R477 PolarHBondContact O-NH1 2.79Å; M469-R477 HydrophobicContact CB-CG 4.1Å; M469-R477 HydrophobicContact CG-CG 3.54Å; M469-R477 PolarHBondContact O-NH1 3.16Å; P470-R477 VanDerWaalsContact O-CD 3.28Å; P470-R477 WeakPolarHBondContact O-CD 3.29Å; K473-R477 VanDerWaalsContact O-CG 3.27Å; K473-R477 WeakPolarHBondContact O-CG 3.32Å; K473-R477 PolarHBondContact O-N 3.29Å; P474-R477 PolarHBondContact O-N 3.19Å; R475-R477 VanDerWaalsContact C-N 3.32Å; R475-R477 PolarHBondContact O-N 3.05Å; R477-M479 VanDerWaalsContact C-N 3.3Å; R477-R481 WeakPolarHBondContact O-CB 3.37Å; R477-R481 VanDerWaalsContact O-CG 3.23Å; R477-R481 WeakPolarHBondContact O-CG 3.31Å; R477-R481 PolarHBondContact O-N 3.49Å
478	L	92.7	Very high	91	Very high	66 Å²	66	62.6 Å²	62.6	35%	0.346	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-45.3	175	-76.5	170.5	0	0	0	110.7	P474 R475 R481 A482 L500	P474-L478 WeakPolarHBondContact O-CB 3.44Å; P474-L478 VanDerWaalsContact O-CG 3.25Å; P474-L478 WeakPolarHBondContact O-CG 3.22Å; P474-L478 PolarHBondContact O-N 2.92Å; R475-L478 PolarHBondContact O-N 3.45Å; L478-R481 PolarHBondContact O-N 2.96Å; L478-A482 PolarHBondContact O-N 3.02Å; L478-A482 VanDerWaalsContact O-N 3.09Å; L478-L500 HydrophobicContact CB-CD2 4.26Å; L478-L500 HydrophobicContact CD1-CD2 4.46Å
479	M	94.5	Very high	91	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-68.3	-44.1	-178.1	-153.6	151.3	84.4	0	0	112	V436 F439 F440 R475 E476 R477 R481 A482 L483 A496 W497 L500	V436-M479 HydrophobicContact CG1-CE 4.3Å; V436-M479 HydrophobicContact CG2-CE 4.25Å; F439-M479 HydrophobicContact CB-CE 3.7Å; F439-M479 HydrophobicContact CD1-CE 3.06Å; F439-M479 HydrophobicContact CD1-SD 4.42Å; F439-M479 HydrophobicContact CD2-CE 3.94Å; F439-M479 HydrophobicContact CE1-CE 3.49Å; F439-M479 VanDerWaalsContact CE1-CE 3.49Å; F439-M479 HydrophobicContact CE1-SD 4.43Å; F439-M479 HydrophobicContact CE2-CE 4.27Å; F439-M479 HydrophobicContact CG-CE 3.31Å; F439-M479 HydrophobicContact CZ-CE 4.09Å; F440-M479 HydrophobicContact CD2-CE 3.93Å; F440-M479 HydrophobicContact CE2-CB 4.39Å; F440-M479 HydrophobicContact CE2-CE 3.34Å; F440-M479 HydrophobicContact CE2-CG 4.31Å; F440-M479 HydrophobicContact CZ-CB 4.08Å; F440-M479 HydrophobicContact CZ-CE 3.95Å; F440-M479 HydrophobicContact CZ-CG 4.49Å; R475-M479 PolarHBondContact O-N 3.29Å; E476-M479 PolarHBondContact O-N 3.44Å; R477-M479 VanDerWaalsContact C-N 3.3Å; M479-R481 PolarHBondContact O-N 3.43Å; M479-A482 PolarHBondContact O-N 3.31Å; M479-L483 HydrophobicContact CG-CD1 4.48Å; M479-L483 VanDerWaalsContact O-CG 3.3Å; M479-L483 WeakPolarHBondContact O-CG 3.13Å; M479-L483 PolarHBondContact O-N 3.14Å; M479-A496 HydrophobicContact CG-CB 3.62Å; M479-W497 HydrophobicContact SD-CD2 4.41Å; M479-L500 HydrophobicContact SD-CD1 4.14Å
480	L	95.9	Very high	90.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-38.7	174.8	-71.4	170.4	0	0	0	112.8	F440 F456 P462 L466 M469 E476 A482 L483 N484	F440-L480 HydrophobicContact CE1-CD1 4.13Å; F440-L480 HydrophobicContact CE1-CD2 3.98Å; F440-L480 HydrophobicContact CE1-CG 3.82Å; F440-L480 HydrophobicContact CE2-CD2 4.34Å; F440-L480 HydrophobicContact CZ-CD1 4.44Å; F440-L480 HydrophobicContact CZ-CD2 3.75Å; F440-L480 HydrophobicContact CZ-CG 3.64Å; F456-L480 HydrophobicContact CB-CD2 4.5Å; F456-L480 HydrophobicContact CD2-CD2 3.8Å; F456-L480 HydrophobicContact CE2-CD2 4.23Å; F456-L480 HydrophobicContact CG-CD2 4.02Å; P462-L480 HydrophobicContact CB-CD2 4.31Å; L466-L480 HydrophobicContact CB-CB 4.14Å; L466-L480 HydrophobicContact CB-CD1 4.39Å; L466-L480 HydrophobicContact CD1-CB 4.14Å; M469-L480 HydrophobicContact CB-CD1 4.11Å; M469-L480 HydrophobicContact CE-CD1 3.79Å; M469-L480 HydrophobicContact CG-CD1 4.29Å; E476-L480 WeakPolarHBondContact O-CG 3.25Å; E476-L480 PolarHBondContact O-N 3.1Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 3Å; L480-L483 PolarHBondContact O-N 3.43Å; L480-N484 WeakPolarHBondContact O-CB 3.48Å; L480-N484 PolarHBondContact O-N 3.02Å
481	R	95.6	Very high	91.2	Very high	122 Å²	122	69.5 Å²	69.5	46%	0.46	36%	0.36	S	S	.	.	H	α-helix	trans	-62.8	-41.2	175	-77	171.4	-175.3	157.8	-3.1	112.2	L466 R477 L478 M479 R485	L466-R481 HydrophobicContact CD1-CG 4.03Å; L466-R481 HydrophobicContact CD2-CG 3.53Å; L466-R481 HydrophobicContact CG-CG 4.46Å; R477-R481 WeakPolarHBondContact O-CB 3.37Å; R477-R481 VanDerWaalsContact O-CG 3.23Å; R477-R481 WeakPolarHBondContact O-CG 3.31Å; R477-R481 PolarHBondContact O-N 3.49Å; L478-R481 PolarHBondContact O-N 2.96Å; M479-R481 PolarHBondContact O-N 3.43Å; R481-R485 PolarHBondContact O-N 3.27Å
482	A	95.3	Very high	91.8	Very high	7 Å²	7	62.7 Å²	62.7	6%	0.058	33%	0.325	C	S	.	.	H	α-helix	trans	-68.6	-43.9	177.7	0	0	0	0	0	111.2	L478 M479 L480 N484 R485 Y486 A496	L478-A482 PolarHBondContact O-N 3.02Å; L478-A482 VanDerWaalsContact O-N 3.09Å; M479-A482 PolarHBondContact O-N 3.31Å; L480-A482 VanDerWaalsContact C-N 3.34Å; L480-A482 PolarHBondContact O-N 3Å; A482-N484 VanDerWaalsContact C-N 3.32Å; A482-N484 PolarHBondContact O-N 2.97Å; A482-R485 PolarHBondContact O-N 3.22Å; A482-Y486 HydrophobicContact CB-CD2 4.32Å; A482-Y486 VanDerWaalsContact O-CD2 3.23Å; A482-Y486 WeakPolarHBondContact O-CD2 3.33Å; A482-Y486 PolarHBondContact O-N 3.09Å; A482-A496 HydrophobicContact CB-CB 4.15Å
483	L	96.1	Very high	92.7	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-39.4	174.5	-67.9	166.6	0	0	0	112.1	V436 F440 F456 P462 M479 L480 R485 G487 A496	V436-L483 HydrophobicContact CG1-CD1 3.88Å; V436-L483 HydrophobicContact CG1-CD2 4.48Å; F440-L483 HydrophobicContact CE2-CD1 4.04Å; F456-L483 HydrophobicContact CE1-CD1 4.36Å; F456-L483 HydrophobicContact CE2-CD1 4.18Å; F456-L483 HydrophobicContact CZ-CD1 3.71Å; P462-L483 HydrophobicContact CB-CB 3.97Å; P462-L483 HydrophobicContact CG-CB 3.79Å; M479-L483 HydrophobicContact CG-CD1 4.48Å; M479-L483 VanDerWaalsContact O-CG 3.3Å; M479-L483 WeakPolarHBondContact O-CG 3.13Å; M479-L483 PolarHBondContact O-N 3.14Å; L480-L483 PolarHBondContact O-N 3.43Å; L483-R485 PolarHBondContact O-N 3.07Å; L483-G487 CarbonylContact O-C 3.59Å; L483-G487 WeakPolarHBondContact O-CA 3.43Å; L483-G487 PolarHBondContact O-N 3.41Å; L483-A496 HydrophobicContact CD1-CB 4.47Å; L483-A496 HydrophobicContact CD2-CB 3.61Å; L483-A496 HydrophobicContact CG-CB 3.66Å
484	N	95.9	Very high	93.4	Very high	87 Å²	87	55.9 Å²	55.9	47%	0.465	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-31.2	174.8	-173.2	56.6	0	0	0	112.8	P462 L480 A482	P462-N484 HydrophobicContact CB-CB 4Å; L480-N484 WeakPolarHBondContact O-CB 3.48Å; L480-N484 PolarHBondContact O-N 3.02Å; A482-N484 VanDerWaalsContact C-N 3.32Å; A482-N484 PolarHBondContact O-N 2.97Å
485	R	95.6	Very high	94	Very high	189 Å²	189	55.7 Å²	55.7	71%	0.713	28%	0.278	S	S	*	.	H	α-helix	trans	-85.9	-40.6	-177.5	-176.4	179.9	-66.2	-174.9	-1.5	112.7	R481 A482 L483	R481-R485 PolarHBondContact O-N 3.27Å; A482-R485 PolarHBondContact O-N 3.22Å; L483-R485 PolarHBondContact O-N 3.07Å
486	Y	94.3	Very high	94.4	Very high	121 Å²	121	50.9 Å²	50.9	48%	0.475	26%	0.259	S	S	.	.	H	α-helix	trans	-110.5	-2.2	-170.4	-56.3	-67.6	0	0	0	113.6	A482 Q495	A482-Y486 HydrophobicContact CB-CD2 4.32Å; A482-Y486 VanDerWaalsContact O-CD2 3.23Å; A482-Y486 WeakPolarHBondContact O-CD2 3.33Å; A482-Y486 PolarHBondContact O-N 3.09Å; Y486-Q495 HydrophobicContact CD1-CG 4.27Å; Y486-Q495 HydrophobicContact CD2-CB 3.4Å; Y486-Q495 VanDerWaalsContact CD2-CB 3.4Å; Y486-Q495 HydrophobicContact CD2-CG 3.96Å; Y486-Q495 HydrophobicContact CE2-CB 3.89Å; Y486-Q495 HydrophobicContact CE2-CG 4.34Å; Y486-Q495 HydrophobicContact CG-CB 3.79Å; Y486-Q495 HydrophobicContact CG-CG 3.91Å
487	G	93.1	Very high	94.6	Very high	32 Å²	32	50.7 Å²	50.7	33%	0.33	26%	0.258	S	S	.	.			trans	88.4	172.5	-178.3	0	0	0	0	0	114.1	L483 G492	L483-G487 CarbonylContact O-C 3.59Å; L483-G487 WeakPolarHBondContact O-CA 3.43Å; L483-G487 PolarHBondContact O-N 3.41Å; G487-G492 WeakPolarHBondContact O-CA 3.15Å
488	T	92.6	Very high	94.7	Very high	41 Å²	41	51.6 Å²	51.6	25%	0.252	27%	0.266	S	S	.	.	S	Bend	trans	-96.6	3.1	179.6	54.3	0	0	0	0	113.5	F456 D460 P462 C493	F456-T488 HydrophobicContact CE2-CG2 4.28Å; F456-T488 HydrophobicContact CZ-CG2 4.45Å; D460-T488 WeakPolarHBondContact OD1-CG2 3.47Å; D460-T488 WeakPolarHBondContact OD2-CB 3.43Å; D460-T488 PolarHBondContact OD2-OG1 3.18Å; P462-T488 HydrophobicContact CG-CG2 3.82Å; T488-C493 PolarHBondContact O-SG 3.04Å
489	G	92.9	Very high	94.7	Very high	34 Å²	34	50.4 Å²	50.4	35%	0.351	26%	0.263	S	S	.	.	S	Bend	trans	-72.5	175.8	173.2	0	0	0	0	0	113.4	D491 G492 C493	G489-D491 PolarHBondContact O-N 3.1Å; G489-G492 WeakPolarHBondContact O-CA 3.4Å; G489-G492 PolarHBondContact O-N 2.82Å; G489-G492 VanDerWaalsContact O-N 3.09Å; G489-C493 PolarHBondContact O-N 2.67Å; G489-C493 PolarHBondContact O-SG 3.14Å; G489-C493 VanDerWaalsContact O-SG 3.35Å
490	P	92.4	Very high	94.5	Very high	87 Å²	87	50.6 Å²	50.6	57%	0.565	26%	0.264	S	S	*	.	H	α-helix	trans	-53.8	-47.8	-175.5	-27.3	35	0	0	0	114.2	V433 G492 C493 V494	V433-P490 HydrophobicContact CG2-CB 4.49Å; V433-P490 HydrophobicContact CG2-CG 4.13Å; P490-G492 VanDerWaalsContact C-N 3.35Å; P490-G492 PolarHBondContact O-N 3.06Å; P490-C493 WeakPolarHBondContact O-CB 3.38Å; P490-C493 PolarHBondContact O-N 3.01Å; P490-V494 WeakPolarHBondContact O-CG2 3.32Å; P490-V494 PolarHBondContact O-N 3.36Å
491	D	93.1	Very high	94.1	Very high	136 Å²	136	53.7 Å²	53.7	73%	0.727	28%	0.284	S	S	*	.	H	α-helix	trans	-66.1	-38	179.1	-65.8	-31.7	0	0	0	112.1	G489 V494 Q495	G489-D491 PolarHBondContact O-N 3.1Å; D491-V494 WeakPolarHBondContact O-CB 3.16Å; D491-V494 PolarHBondContact O-N 2.91Å; D491-Q495 WeakPolarHBondContact O-CG 3.3Å; D491-Q495 PolarHBondContact O-N 3.47Å
492	G	94.3	Very high	93.5	Very high	3 Å²	3	52.6 Å²	52.6	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-41.6	174.3	0	0	0	0	0	112.1	G487 G489 P490 V494 Q495 A496	G487-G492 WeakPolarHBondContact O-CA 3.15Å; G489-G492 WeakPolarHBondContact O-CA 3.4Å; G489-G492 PolarHBondContact O-N 2.82Å; G489-G492 VanDerWaalsContact O-N 3.09Å; P490-G492 VanDerWaalsContact C-N 3.35Å; P490-G492 PolarHBondContact O-N 3.06Å; G492-V494 PolarHBondContact O-N 3.08Å; G492-Q495 PolarHBondContact O-N 3.02Å; G492-A496 WeakPolarHBondContact O-CB 3.47Å; G492-A496 PolarHBondContact O-N 2.84Å
493	C	95.9	Very high	92.8	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.014	31%	0.31	C	S	.	.	H	α-helix	trans	-63.5	-38	173.2	-66.7	0	0	0	0	112.4	M432 V436 T488 G489 P490 A496 W497	M432-C493 HydrophobicContact CB-CB 3.79Å; V436-C493 HydrophobicContact CG2-CB 3.81Å; T488-C493 PolarHBondContact O-SG 3.04Å; G489-C493 PolarHBondContact O-N 2.67Å; G489-C493 PolarHBondContact O-SG 3.14Å; G489-C493 VanDerWaalsContact O-SG 3.35Å; P490-C493 WeakPolarHBondContact O-CB 3.38Å; P490-C493 PolarHBondContact O-N 3.01Å; C493-A496 WeakPolarHBondContact O-CB 3.31Å; C493-A496 PolarHBondContact O-N 2.93Å; C493-W497 VanDerWaalsContact O-CD1 3.26Å; C493-W497 PolarHBondContact O-N 2.91Å
494	V	96.1	Very high	92.3	Very high	22 Å²	22	58 Å²	58	13%	0.133	32%	0.318	C	S	.	.	H	α-helix	trans	-59.9	-48.2	172.5	172.9	0	0	0	0	110.3	M432 P490 D491 G492 A496 W497 L498 L615	M432-V494 HydrophobicContact CB-CG2 4.36Å; M432-V494 HydrophobicContact CG-CG2 3.65Å; M432-V494 HydrophobicContact SD-CG2 4.1Å; P490-V494 WeakPolarHBondContact O-CG2 3.32Å; P490-V494 PolarHBondContact O-N 3.36Å; D491-V494 WeakPolarHBondContact O-CB 3.16Å; D491-V494 PolarHBondContact O-N 2.91Å; G492-V494 PolarHBondContact O-N 3.08Å; V494-A496 VanDerWaalsContact C-N 3.26Å; V494-A496 PolarHBondContact O-N 3.3Å; V494-W497 PolarHBondContact O-N 2.88Å; V494-L498 HydrophobicContact CG1-CD1 3.9Å; V494-L498 HydrophobicContact CG1-CG 4.34Å; V494-L498 WeakPolarHBondContact O-CB 3.28Å; V494-L498 VanDerWaalsContact O-CG 3.31Å; V494-L498 WeakPolarHBondContact O-CG 3.35Å; V494-L498 PolarHBondContact O-N 3.44Å; V494-L615 HydrophobicContact CG1-CD2 4.25Å
495	Q	95.8	Very high	92	Very high	77 Å²	77	55.1 Å²	55.1	36%	0.36	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-35.6	176.3	-64.3	-54.5	-41.4	0	0	112.1	Y486 D491 G492 L498 S499	Y486-Q495 HydrophobicContact CD1-CG 4.27Å; Y486-Q495 HydrophobicContact CD2-CB 3.4Å; Y486-Q495 VanDerWaalsContact CD2-CB 3.4Å; Y486-Q495 HydrophobicContact CD2-CG 3.96Å; Y486-Q495 HydrophobicContact CE2-CB 3.89Å; Y486-Q495 HydrophobicContact CE2-CG 4.34Å; Y486-Q495 HydrophobicContact CG-CB 3.79Å; Y486-Q495 HydrophobicContact CG-CG 3.91Å; D491-Q495 WeakPolarHBondContact O-CG 3.3Å; D491-Q495 PolarHBondContact O-N 3.47Å; G492-Q495 PolarHBondContact O-N 3.02Å; Q495-L498 PolarHBondContact O-N 2.93Å; Q495-S499 PolarHBondContact O-N 2.85Å
496	A	95.9	Very high	91.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-46.5	176.1	0	0	0	0	0	111.8	M479 A482 L483 G492 C493 V494 S499	M479-A496 HydrophobicContact CG-CB 3.62Å; A482-A496 HydrophobicContact CB-CB 4.15Å; L483-A496 HydrophobicContact CD1-CB 4.47Å; L483-A496 HydrophobicContact CD2-CB 3.61Å; L483-A496 HydrophobicContact CG-CB 3.66Å; G492-A496 WeakPolarHBondContact O-CB 3.47Å; G492-A496 PolarHBondContact O-N 2.84Å; C493-A496 WeakPolarHBondContact O-CB 3.31Å; C493-A496 PolarHBondContact O-N 2.93Å; V494-A496 VanDerWaalsContact C-N 3.26Å; V494-A496 PolarHBondContact O-N 3.3Å; A496-S499 WeakPolarHBondContact O-CB 3.28Å; A496-S499 PolarHBondContact O-N 3.21Å; A496-S499 PolarHBondContact O-OG 3.11Å
497	W	95.6	Very high	91.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-45.9	172.5	-82.1	108.8	0	0	0	112.1	V423 L427 A435 F439 M479 C493 V494 S499 L500 R505 Y508 L615	V423-W497 HydrophobicContact CG1-CH2 3.41Å; V423-W497 VanDerWaalsContact CG1-CH2 3.41Å; V423-W497 HydrophobicContact CG1-CZ2 3.65Å; L427-W497 HydrophobicContact CD1-CE3 4.41Å; L427-W497 HydrophobicContact CD1-CH2 4.08Å; L427-W497 HydrophobicContact CD1-CZ2 4.24Å; L427-W497 HydrophobicContact CD1-CZ3 4.16Å; L427-W497 HydrophobicContact CD2-CD2 4.03Å; L427-W497 HydrophobicContact CD2-CG 4.31Å; L427-W497 HydrophobicContact CD2-CZ2 4.14Å; L427-W497 HydrophobicContact CG-CZ2 4.38Å; A435-W497 HydrophobicContact CB-CZ2 3.86Å; F439-W497 HydrophobicContact CB-CH2 4.45Å; F439-W497 HydrophobicContact CB-CZ2 4.37Å; F439-W497 AromaticContact CD2-CH2 3.87Å; F439-W497 HydrophobicContact CD2-CH2 3.87Å; F439-W497 HydrophobicContact CD2-CZ3 4.47Å; M479-W497 HydrophobicContact SD-CD2 4.41Å; C493-W497 VanDerWaalsContact O-CD1 3.26Å; C493-W497 PolarHBondContact O-N 2.91Å; V494-W497 PolarHBondContact O-N 2.88Å; W497-S499 PolarHBondContact O-N 3.02Å; W497-S499 VanDerWaalsContact O-N 3.15Å; W497-L500 HydrophobicContact CE3-CD1 3.89Å; W497-L500 HydrophobicContact CZ3-CD1 3.87Å; W497-L500 WeakPolarHBondContact O-CB 3.46Å; W497-L500 PolarHBondContact O-N 2.94Å; W497-R505 HydrophobicContact CE3-CG 4.3Å; W497-R505 WeakPolarHBondContact O-CD 3.29Å; W497-Y508 AromaticContact CH2-CD2 3.89Å; W497-Y508 HydrophobicContact CH2-CD2 3.89Å; W497-Y508 AromaticContact CH2-CE2 3.88Å; W497-Y508 HydrophobicContact CH2-CE2 3.88Å; W497-Y508 HydrophobicContact CH2-CG 4.4Å; W497-Y508 AromaticContact CZ3-CD2 3.65Å; W497-Y508 HydrophobicContact CZ3-CD2 3.65Å; W497-Y508 AromaticContact CZ3-CE2 3.6Å; W497-Y508 HydrophobicContact CZ3-CE2 3.6Å; W497-L615 HydrophobicContact CB-CD1 3.97Å; W497-L615 HydrophobicContact CB-CD2 3.51Å; W497-L615 HydrophobicContact CB-CG 4.42Å; W497-L615 HydrophobicContact CG-CD1 4.16Å; W497-L615 HydrophobicContact CG-CD2 4.4Å
498	L	94.8	Very high	91.6	Very high	56 Å²	56	42.8 Å²	42.8	29%	0.293	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-22.8	178.5	-72.4	173.8	0	0	0	113.5	V494 Q495 L500 L615	V494-L498 HydrophobicContact CG1-CD1 3.9Å; V494-L498 HydrophobicContact CG1-CG 4.34Å; V494-L498 WeakPolarHBondContact O-CB 3.28Å; V494-L498 VanDerWaalsContact O-CG 3.31Å; V494-L498 WeakPolarHBondContact O-CG 3.35Å; V494-L498 PolarHBondContact O-N 3.44Å; Q495-L498 PolarHBondContact O-N 2.93Å; L498-L500 PolarHBondContact O-N 3.34Å; L498-L615 HydrophobicContact CD2-CD2 4.2Å; L498-L615 HydrophobicContact CG-CD2 4.11Å
499	S	93.3	Very high	91.7	Very high	41 Å²	41	40.9 Å²	40.9	29%	0.287	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.1	172.6	82.9	0	0	0	0	113.1	Q495 A496 W497	Q495-S499 PolarHBondContact O-N 2.85Å; A496-S499 WeakPolarHBondContact O-CB 3.28Å; A496-S499 PolarHBondContact O-N 3.21Å; A496-S499 PolarHBondContact O-OG 3.11Å; W497-S499 PolarHBondContact O-N 3.02Å; W497-S499 VanDerWaalsContact O-N 3.15Å
500	L	90.5	Very high	91.8	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	23%	0.231	C	C	.	.	S	Bend	trans	-82.7	142.8	176.4	-58.2	179.8	0	0	0	111.2	F439 R475 L478 M479 W497 L498 I504 R505	F439-L500 HydrophobicContact CE2-CD1 4.24Å; R475-L500 HydrophobicContact CB-CD2 4.14Å; L478-L500 HydrophobicContact CB-CD2 4.26Å; L478-L500 HydrophobicContact CD1-CD2 4.46Å; M479-L500 HydrophobicContact SD-CD1 4.14Å; W497-L500 HydrophobicContact CE3-CD1 3.89Å; W497-L500 HydrophobicContact CZ3-CD1 3.87Å; W497-L500 WeakPolarHBondContact O-CB 3.46Å; W497-L500 PolarHBondContact O-N 2.94Å; L498-L500 PolarHBondContact O-N 3.34Å; L500-I504 HydrophobicContact CD1-CG2 4.28Å; L500-R505 HydrophobicContact CB-CG 4.02Å; L500-R505 PolarHBondContact O-NE 2.88Å
501	P	86.1	Confident	91.8	Very high	66 Å²	66	37.7 Å²	37.7	43%	0.429	20%	0.204	S	C	.	.			trans	-51.6	146.1	171.5	-26.7	33.3	0	0	0	112.9	S503 I504 R505	P501-S503 VanDerWaalsContact C-N 3.25Å; P501-S503 PolarHBondContact O-N 3.11Å; P501-I504 HydrophobicContact CB-CG1 4.45Å; P501-I504 HydrophobicContact CG-CD1 4.22Å; P501-I504 PolarHBondContact O-N 3.41Å; P501-R505 PolarHBondContact O-N 3.48Å; P501-R505 VanDerWaalsContact O-N 3.11Å
502	H	84.5	Confident	91.9	Very high	99 Å²	99	31.2 Å²	31.2	46%	0.458	17%	0.169	S	C	.	.	H	α-helix	trans	-54	-40.3	-178.5	179	-83.1	0	0	0	113	I504 R505 V506	H502-I504 VanDerWaalsContact C-N 3.29Å; H502-I504 PolarHBondContact O-N 3.14Å; H502-R505 PolarHBondContact O-N 3Å; H502-V506 PolarHBondContact O-N 3.19Å
503	S	80.1	Confident	91.9	Very high	86 Å²	86	31.1 Å²	31.1	60%	0.601	17%	0.168	S	C	*	.	H	α-helix	trans	-61.5	-34.2	178.6	52.7	0	0	0	0	113.5	P501 F507	P501-S503 VanDerWaalsContact C-N 3.25Å; P501-S503 PolarHBondContact O-N 3.11Å; S503-F507 PolarHBondContact O-N 3.41Å
504	I	84.9	Confident	91.8	Very high	35 Å²	35	31 Å²	31	18%	0.179	17%	0.168	C	C	.	.	H	α-helix	trans	-77.3	-39.5	176.8	-61	-176.2	0	0	0	110.1	R475 L500 P501 H502 F507 Y508	R475-I504 HydrophobicContact CG-CD1 4.14Å; L500-I504 HydrophobicContact CD1-CG2 4.28Å; P501-I504 HydrophobicContact CB-CG1 4.45Å; P501-I504 HydrophobicContact CG-CD1 4.22Å; P501-I504 PolarHBondContact O-N 3.41Å; H502-I504 VanDerWaalsContact C-N 3.29Å; H502-I504 PolarHBondContact O-N 3.14Å; I504-F507 WeakPolarHBondContact O-CB 3.47Å; I504-F507 PolarHBondContact O-N 2.85Å; I504-Y508 HydrophobicContact CG2-CE2 4.01Å; I504-Y508 VanDerWaalsContact O-CD2 3.26Å; I504-Y508 WeakPolarHBondContact O-CD2 3.39Å; I504-Y508 WeakPolarHBondContact O-CE2 3.44Å
505	R	91.3	Very high	91.7	Very high	27 Å²	27	31.5 Å²	31.5	10%	0.102	17%	0.167	C	C	.	.	H	α-helix	trans	-63.1	-45.6	177.9	-72.6	-171.5	-89.9	139.7	0.7	112.7	W497 L500 P501 H502 F507 P509 L615 L617	W497-R505 HydrophobicContact CE3-CG 4.3Å; W497-R505 WeakPolarHBondContact O-CD 3.29Å; L500-R505 HydrophobicContact CB-CG 4.02Å; L500-R505 PolarHBondContact O-NE 2.88Å; P501-R505 PolarHBondContact O-N 3.48Å; P501-R505 VanDerWaalsContact O-N 3.11Å; H502-R505 PolarHBondContact O-N 3Å; R505-F507 PolarHBondContact O-N 3.23Å; R505-P509 WeakPolarHBondContact O-CD 3.36Å; R505-L615 PolarHBondContact NH1-O 3.2Å; R505-L617 HydrophobicContact CB-CD1 4.2Å; R505-L617 HydrophobicContact CB-CD2 4.05Å
506	V	90.7	Very high	91.7	Very high	22 Å²	22	27.8 Å²	27.8	13%	0.133	15%	0.15	C	C	.	.	H	α-helix	trans	-69.7	-20.8	-179.6	80.2	0	0	0	0	112.7	H502 Y508 P509 H510 L617	H502-V506 PolarHBondContact O-N 3.19Å; V506-Y508 PolarHBondContact O-N 2.86Å; V506-P509 WeakPolarHBondContact O-CD 3.42Å; V506-H510 VanDerWaalsContact O-CG 3.29Å; V506-H510 PolarHBondContact O-N 3.5Å; V506-H510 PolarHBondContact O-ND1 3Å; V506-L617 HydrophobicContact CB-CD2 4.3Å
507	F	90.6	Very high	91.7	Very high	59 Å²	59	27.8 Å²	27.8	26%	0.259	15%	0.15	S	C	.	.	H	α-helix	trans	-59.8	-42.8	178.4	169.3	-95.5	0	0	0	112.4	R411 S503 I504 R505 H510 A511	R411-F507 WeakPolarHBondContact O-CZ 3.29Å; S503-F507 PolarHBondContact O-N 3.41Å; I504-F507 WeakPolarHBondContact O-CB 3.47Å; I504-F507 PolarHBondContact O-N 2.85Å; R505-F507 PolarHBondContact O-N 3.23Å; F507-H510 CarbonylContact O-C 3.56Å; F507-H510 PolarHBondContact O-N 2.89Å; F507-A511 PolarHBondContact O-N 2.9Å
508	Y	93.1	Very high	91.7	Very high	3 Å²	3	27.9 Å²	27.9	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-51.8	-176.1	-60.3	-81.5	0	0	0	112.6	V418 V423 G424 F439 W497 I504 V506 H510 A511 Y512	V418-Y508 HydrophobicContact CG1-CE1 4.15Å; V423-Y508 HydrophobicContact CB-CD1 3.7Å; V423-Y508 HydrophobicContact CB-CE1 4.33Å; V423-Y508 HydrophobicContact CB-CG 4.23Å; V423-Y508 HydrophobicContact CG1-CD1 3.51Å; V423-Y508 HydrophobicContact CG1-CD2 4.32Å; V423-Y508 HydrophobicContact CG1-CE1 4.06Å; V423-Y508 HydrophobicContact CG1-CG 3.66Å; V423-Y508 HydrophobicContact CG2-CD1 4.38Å; G424-Y508 VanDerWaalsContact CA-O 3.24Å; G424-Y508 WeakPolarHBondContact CA-O 3.38Å; F439-Y508 HydrophobicContact CD2-CE1 4.42Å; F439-Y508 HydrophobicContact CD2-CE2 4.48Å; F439-Y508 AromaticContact CD2-CZ 3.88Å; F439-Y508 WeakPolarHBondContact CD2-OH 3.41Å; F439-Y508 HydrophobicContact CE2-CE2 4.48Å; F439-Y508 AromaticContact CE2-CZ 3.95Å; F439-Y508 WeakPolarHBondContact CE2-OH 3.19Å; W497-Y508 AromaticContact CH2-CD2 3.89Å; W497-Y508 HydrophobicContact CH2-CD2 3.89Å; W497-Y508 AromaticContact CH2-CE2 3.88Å; W497-Y508 HydrophobicContact CH2-CE2 3.88Å; W497-Y508 HydrophobicContact CH2-CG 4.4Å; W497-Y508 AromaticContact CZ3-CD2 3.65Å; W497-Y508 HydrophobicContact CZ3-CD2 3.65Å; W497-Y508 AromaticContact CZ3-CE2 3.6Å; W497-Y508 HydrophobicContact CZ3-CE2 3.6Å; I504-Y508 HydrophobicContact CG2-CE2 4.01Å; I504-Y508 VanDerWaalsContact O-CD2 3.26Å; I504-Y508 WeakPolarHBondContact O-CD2 3.39Å; I504-Y508 WeakPolarHBondContact O-CE2 3.44Å; V506-Y508 PolarHBondContact O-N 2.86Å; Y508-H510 PolarHBondContact O-N 3.1Å; Y508-A511 WeakPolarHBondContact O-CB 3.32Å; Y508-A511 PolarHBondContact O-N 2.93Å; Y508-Y512 PolarHBondContact O-N 2.77Å; Y508-Y512 VanDerWaalsContact O-N 3.13Å
509	P	94.8	Very high	91.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.1	-35.3	173.2	-28.7	39.5	0	0	0	113.2	L427 L428 R505 V506 Y512 C513 L617 L619	L427-P509 HydrophobicContact CB-CG 4.25Å; L427-P509 HydrophobicContact CD1-CG 4.23Å; L428-P509 HydrophobicContact CD1-CB 4.4Å; L428-P509 HydrophobicContact CD2-CB 4.18Å; L428-P509 HydrophobicContact CG-CB 4.13Å; R505-P509 WeakPolarHBondContact O-CD 3.36Å; V506-P509 WeakPolarHBondContact O-CD 3.42Å; P509-Y512 WeakPolarHBondContact O-CB 3.5Å; P509-Y512 PolarHBondContact O-N 2.77Å; P509-C513 PolarHBondContact O-N 2.83Å; P509-C513 VanDerWaalsContact O-N 3.08Å; P509-C513 PolarHBondContact O-SG 2.83Å; P509-L617 HydrophobicContact CG-CD1 4.28Å; P509-L619 HydrophobicContact CB-CD1 3.86Å; P509-L619 HydrophobicContact CB-CD2 3.47Å; P509-L619 VanDerWaalsContact CB-CD2 3.47Å; P509-L619 HydrophobicContact CB-CG 4.27Å; P509-L619 HydrophobicContact CG-CD1 4.47Å
510	H	93.4	Very high	91.8	Very high	54 Å²	54	25.4 Å²	25.4	25%	0.25	13%	0.134	C	C	.	.	H	α-helix	trans	-68.4	-32.2	173.7	-69.7	159.7	0	0	0	113.3	R411 V506 F507 Y508 Y512 C513 S514 L619	R411-H510 VanDerWaalsContact NH2-CB 3.3Å; V506-H510 VanDerWaalsContact O-CG 3.29Å; V506-H510 PolarHBondContact O-N 3.5Å; V506-H510 PolarHBondContact O-ND1 3Å; F507-H510 CarbonylContact O-C 3.56Å; F507-H510 PolarHBondContact O-N 2.89Å; Y508-H510 PolarHBondContact O-N 3.1Å; H510-Y512 VanDerWaalsContact C-N 3.33Å; H510-C513 PolarHBondContact O-N 2.82Å; H510-S514 WeakPolarHBondContact O-CB 3.46Å; H510-S514 PolarHBondContact O-N 3.08Å; H510-S514 PolarHBondContact O-OG 3.22Å; H510-L619 VanDerWaalsContact CD2-CD2 3.5Å; H510-L619 WeakPolarHBondContact CD2-CD2 3.42Å
511	A	92.5	Very high	92.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-40.1	173.4	0	0	0	0	0	110.7	F412 F507 Y508 S514 R515	F412-A511 VanDerWaalsContact CE1-O 3.32Å; F412-A511 WeakPolarHBondContact CE1-O 3.42Å; F507-A511 PolarHBondContact O-N 2.9Å; Y508-A511 WeakPolarHBondContact O-CB 3.32Å; Y508-A511 PolarHBondContact O-N 2.93Å; A511-S514 WeakPolarHBondContact O-CB 3.5Å; A511-S514 PolarHBondContact O-N 2.87Å; A511-R515 PolarHBondContact O-N 2.96Å; A511-R515 VanDerWaalsContact O-N 3.08Å
512	Y	94.8	Very high	92.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-48.8	171.3	174.5	-96.2	0	0	0	112.1	L425 L428 Y508 P509 H510 S514 R515 V516 L600 D603 L605	L425-Y512 HydrophobicContact CB-CD2 3.69Å; L425-Y512 HydrophobicContact CB-CE2 3.96Å; L425-Y512 HydrophobicContact CB-CG 4.43Å; L425-Y512 HydrophobicContact CD1-CD2 4.21Å; L425-Y512 HydrophobicContact CD1-CE2 3.67Å; L425-Y512 HydrophobicContact CD2-CE2 4.19Å; L425-Y512 HydrophobicContact CG-CD2 4.38Å; L425-Y512 HydrophobicContact CG-CE2 4.15Å; L428-Y512 HydrophobicContact CD1-CD1 3.4Å; L428-Y512 HydrophobicContact CD1-CE1 4.03Å; L428-Y512 HydrophobicContact CD1-CG 3.99Å; Y508-Y512 PolarHBondContact O-N 2.77Å; Y508-Y512 VanDerWaalsContact O-N 3.13Å; P509-Y512 WeakPolarHBondContact O-CB 3.5Å; P509-Y512 PolarHBondContact O-N 2.77Å; H510-Y512 VanDerWaalsContact C-N 3.33Å; Y512-S514 VanDerWaalsContact C-N 3.26Å; Y512-S514 PolarHBondContact O-N 2.9Å; Y512-R515 VanDerWaalsContact CE2-NH2 3.28Å; Y512-R515 WeakPolarHBondContact O-CB 3.41Å; Y512-R515 PolarHBondContact O-N 2.67Å; Y512-V516 HydrophobicContact CD1-CG2 4.3Å; Y512-V516 HydrophobicContact CE1-CG2 3.67Å; Y512-V516 HydrophobicContact CE2-CG2 4.21Å; Y512-V516 PolarHBondContact O-N 3.03Å; Y512-V516 VanDerWaalsContact O-N 3.1Å; Y512-L600 HydrophobicContact CE1-CD2 4.16Å; Y512-D603 WeakPolarHBondContact CE2-OD2 3.32Å; Y512-D603 VanDerWaalsContact CZ-OD2 3.28Å; Y512-D603 VanDerWaalsContact OH-CB 3.31Å; Y512-D603 WeakPolarHBondContact OH-CB 3.37Å; Y512-D603 PolarHBondContact OH-OD2 2.89Å; Y512-L605 HydrophobicContact CD1-CD1 4.18Å; Y512-L605 HydrophobicContact CE1-CD1 3.33Å; Y512-L605 HydrophobicContact CE2-CD1 4.41Å; Y512-L605 VanDerWaalsContact CZ-CD1 3.48Å; Y512-L605 WeakPolarHBondContact OH-CD1 3.45Å
513	C	95.3	Very high	92.9	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-60.9	-36.7	178.6	-60.9	0	0	0	0	111.9	P509 H510 R515 V516 W517 M580 P581	P509-C513 PolarHBondContact O-N 2.83Å; P509-C513 VanDerWaalsContact O-N 3.08Å; P509-C513 PolarHBondContact O-SG 2.83Å; H510-C513 PolarHBondContact O-N 2.82Å; C513-R515 VanDerWaalsContact C-N 3.33Å; C513-R515 PolarHBondContact O-N 3.16Å; C513-V516 PolarHBondContact O-N 3.24Å; C513-W517 WeakPolarHBondContact O-CB 3.44Å; C513-W517 PolarHBondContact O-N 2.94Å; C513-M580 HydrophobicContact CB-SD 4.44Å; C513-P581 PolarHBondContact SG-O 2.84Å
514	S	94.7	Very high	93.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.5	-37.5	172.9	-69	0	0	0	0	112.8	Y407 R411 H510 A511 Y512 W517 N518	Y407-S514 WeakPolarHBondContact CD1-OG 3.45Å; Y407-S514 VanDerWaalsContact CD2-CB 3.43Å; Y407-S514 WeakPolarHBondContact CE1-OG 3.32Å; Y407-S514 VanDerWaalsContact CG-CB 3.45Å; R411-S514 PolarHBondContact NE-OG 2.96Å; H510-S514 WeakPolarHBondContact O-CB 3.46Å; H510-S514 PolarHBondContact O-N 3.08Å; H510-S514 PolarHBondContact O-OG 3.22Å; A511-S514 WeakPolarHBondContact O-CB 3.5Å; A511-S514 PolarHBondContact O-N 2.87Å; Y512-S514 VanDerWaalsContact C-N 3.26Å; Y512-S514 PolarHBondContact O-N 2.9Å; S514-W517 PolarHBondContact O-N 2.97Å; S514-N518 PolarHBondContact O-N 3.37Å
515	R	93.5	Very high	94.1	Very high	32 Å²	32	15.6 Å²	15.6	12%	0.121	7%	0.074	C	C	.	.	H	α-helix	trans	-65.6	-49.6	175.6	-176.9	-177.3	73.8	174.6	15.9	111	V16 F412 D421 A511 Y512 C513 W517 N518 D519 D603	V16-R515 HydrophobicContact CG1-CG 4.47Å; F412-R515 HydrophobicContact CE1-CB 3.85Å; F412-R515 HydrophobicContact CZ-CB 4.35Å; D421-R515 HydrophobicContact CB-CB 4.34Å; D421-R515 VanDerWaalsContact OD2-CD 3.28Å; D421-R515 WeakPolarHBondContact OD2-CD 3.31Å; D421-R515 IonicContact OD2-CZ 2.93Å; D421-R515 IonicContact OD2-NE 3.12Å; D421-R515 IonicContact OD2-NH1 2.68Å; D421-R515 PolarHBondContact OD2-NH1 3.06Å; A511-R515 PolarHBondContact O-N 2.96Å; A511-R515 VanDerWaalsContact O-N 3.08Å; Y512-R515 VanDerWaalsContact CE2-NH2 3.28Å; Y512-R515 WeakPolarHBondContact O-CB 3.41Å; Y512-R515 PolarHBondContact O-N 2.67Å; C513-R515 VanDerWaalsContact C-N 3.33Å; C513-R515 PolarHBondContact O-N 3.16Å; R515-W517 PolarHBondContact O-N 3.12Å; R515-N518 WeakPolarHBondContact O-CB 3.45Å; R515-N518 PolarHBondContact O-N 3.48Å; R515-N518 VanDerWaalsContact O-N 3.08Å; R515-D519 PolarHBondContact O-N 3.3Å; R515-D603 IonicContact NH2-OD1 3.97Å; R515-D603 IonicContact NH2-OD2 3.72Å; R515-D603 PolarHBondContact NH2-OD2 3.31Å
516	V	95.4	Very high	94.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.4	-37.3	177.2	179.5	0	0	0	0	111	Y512 C513 D519 A520 P581 Y596 R599 L600	Y512-V516 HydrophobicContact CD1-CG2 4.3Å; Y512-V516 HydrophobicContact CE1-CG2 3.67Å; Y512-V516 HydrophobicContact CE2-CG2 4.21Å; Y512-V516 PolarHBondContact O-N 3.03Å; Y512-V516 VanDerWaalsContact O-N 3.1Å; C513-V516 PolarHBondContact O-N 3.24Å; V516-D519 PolarHBondContact O-N 3.06Å; V516-A520 VanDerWaalsContact O-CB 3.32Å; V516-A520 WeakPolarHBondContact O-CB 3.18Å; V516-A520 PolarHBondContact O-N 3.1Å; V516-P581 HydrophobicContact CB-CG 3.97Å; V516-P581 HydrophobicContact CG1-CG 3.64Å; V516-Y596 HydrophobicContact CG1-CD1 4.09Å; V516-Y596 HydrophobicContact CG1-CE1 4.02Å; V516-R599 HydrophobicContact CG1-CG 4.24Å; V516-L600 HydrophobicContact CG2-CD2 4.43Å
517	W	96.4	Very high	94.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-43.2	174.6	-170.9	94.3	0	0	0	112.6	N405 Y406 Y407 C513 S514 R515 A520 A521 L578 M580 R624 P625	N405-W517 HydrophobicContact CB-CH2 4.07Å; N405-W517 VanDerWaalsContact O-CH2 3.3Å; N405-W517 WeakPolarHBondContact O-CH2 3.42Å; N405-W517 WeakPolarHBondContact O-CZ3 3.13Å; Y406-W517 HydrophobicContact CD1-CZ3 4.24Å; Y407-W517 HydrophobicContact CD2-CE3 4.1Å; Y407-W517 HydrophobicContact CE2-CB 4.32Å; Y407-W517 HydrophobicContact CE2-CD2 4.26Å; Y407-W517 HydrophobicContact CE2-CE3 4.26Å; Y407-W517 HydrophobicContact CE2-CG 4.28Å; C513-W517 WeakPolarHBondContact O-CB 3.44Å; C513-W517 PolarHBondContact O-N 2.94Å; S514-W517 PolarHBondContact O-N 2.97Å; R515-W517 PolarHBondContact O-N 3.12Å; W517-A520 WeakPolarHBondContact O-CB 3.03Å; W517-A520 PolarHBondContact O-N 3.06Å; W517-A521 HydrophobicContact CE3-CB 4.29Å; W517-A521 HydrophobicContact CH2-CB 4.09Å; W517-A521 HydrophobicContact CZ3-CB 3.9Å; W517-A521 PolarHBondContact O-N 3.31Å; W517-L578 HydrophobicContact CZ2-CB 4.37Å; W517-L578 VanDerWaalsContact NE1-CB 3.35Å; W517-L578 PolarHBondContact NE1-O 3.28Å; W517-L578 VanDerWaalsContact NE1-O 3.09Å; W517-M580 HydrophobicContact CB-CG 4.23Å; W517-M580 HydrophobicContact CG-CG 4.19Å; W517-R624 HydrophobicContact CH2-CG 4.25Å; W517-R624 HydrophobicContact CZ2-CB 4Å; W517-R624 HydrophobicContact CZ2-CG 3.6Å; W517-P625 WeakPolarHBondContact CZ2-O 3.29Å
518	N	95.4	Very high	94.3	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.011	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-47.9	175.3	-77.3	1.4	0	0	0	111.1	P19 Y406 Y407 S514 R515 A520 A521 A522	P19-N518 HydrophobicContact CG-CB 4.29Å; Y406-N518 WeakPolarHBondContact CA-OD1 3.41Å; Y406-N518 HydrophobicContact CD1-CB 3.87Å; Y406-N518 WeakPolarHBondContact CD1-OD1 3.25Å; Y406-N518 HydrophobicContact CE1-CB 4.32Å; Y406-N518 WeakPolarHBondContact CE1-O 3.3Å; Y407-N518 PolarHBondContact N-OD1 2.9Å; Y407-N518 PolarHBondContact O-ND2 2.99Å; S514-N518 PolarHBondContact O-N 3.37Å; R515-N518 WeakPolarHBondContact O-CB 3.45Å; R515-N518 PolarHBondContact O-N 3.48Å; R515-N518 VanDerWaalsContact O-N 3.08Å; N518-A520 VanDerWaalsContact C-N 3.27Å; N518-A520 PolarHBondContact O-N 3.4Å; N518-A521 PolarHBondContact O-N 2.82Å; N518-A522 PolarHBondContact O-N 2.83Å
519	D	94.7	Very high	94.1	Very high	44 Å²	44	19.8 Å²	19.8	24%	0.235	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-41.8	176.7	-64.5	-10.2	0	0	0	110.9	R515 V516 A522 H523 W595 R599	R515-D519 PolarHBondContact O-N 3.3Å; V516-D519 PolarHBondContact O-N 3.06Å; D519-A522 PolarHBondContact O-N 2.98Å; D519-H523 WeakPolarHBondContact O-CB 3.43Å; D519-H523 PolarHBondContact O-N 2.88Å; D519-W595 HydrophobicContact CB-CH2 3.63Å; D519-W595 HydrophobicContact CB-CZ2 3.82Å; D519-R599 IonicContact OD2-CZ 3.62Å; D519-R599 IonicContact OD2-NE 3.29Å; D519-R599 PolarHBondContact OD2-NE 2.96Å; D519-R599 IonicContact OD2-NH2 3.39Å; D519-R599 PolarHBondContact OD2-NH2 2.68Å
520	A	95.4	Very high	93.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-44.3	179.4	0	0	0	0	0	112.2	V516 W517 N518 H523 R524 L578 M592 W595 Y596	V516-A520 VanDerWaalsContact O-CB 3.32Å; V516-A520 WeakPolarHBondContact O-CB 3.18Å; V516-A520 PolarHBondContact O-N 3.1Å; W517-A520 WeakPolarHBondContact O-CB 3.03Å; W517-A520 PolarHBondContact O-N 3.06Å; N518-A520 VanDerWaalsContact C-N 3.27Å; N518-A520 PolarHBondContact O-N 3.4Å; A520-H523 PolarHBondContact O-N 2.92Å; A520-R524 VanDerWaalsContact O-CB 3.22Å; A520-R524 WeakPolarHBondContact O-CB 3.27Å; A520-R524 PolarHBondContact O-N 3.13Å; A520-L578 HydrophobicContact CB-CD1 4.34Å; A520-M592 HydrophobicContact CB-CE 3.93Å; A520-M592 VanDerWaalsContact O-CE 3.3Å; A520-M592 WeakPolarHBondContact O-CE 3.18Å; A520-W595 VanDerWaalsContact CA-CZ3 3.48Å; A520-W595 HydrophobicContact CB-CE3 4.2Å; A520-W595 HydrophobicContact CB-CH2 3.78Å; A520-W595 HydrophobicContact CB-CZ3 3.41Å; A520-W595 VanDerWaalsContact CB-CZ3 3.41Å; A520-Y596 HydrophobicContact CB-CE1 3.98Å; A520-Y596 HydrophobicContact CB-CE2 4.07Å; A520-Y596 VanDerWaalsContact CB-OH 3.28Å; A520-Y596 WeakPolarHBondContact CB-OH 3.29Å
521	A	95.8	Very high	93.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.2	-45.2	177.9	0	0	0	0	0	111.3	V404 Y406 W517 N518 R524 L525 L578 L626	V404-A521 HydrophobicContact CG1-CB 4.11Å; Y406-A521 HydrophobicContact CD1-CB 4.43Å; Y406-A521 HydrophobicContact CE1-CB 3.85Å; W517-A521 HydrophobicContact CE3-CB 4.29Å; W517-A521 HydrophobicContact CH2-CB 4.09Å; W517-A521 HydrophobicContact CZ3-CB 3.9Å; W517-A521 PolarHBondContact O-N 3.31Å; N518-A521 PolarHBondContact O-N 2.82Å; A521-R524 PolarHBondContact O-N 3.3Å; A521-L525 WeakPolarHBondContact O-CB 3.37Å; A521-L525 VanDerWaalsContact O-CG 3.29Å; A521-L525 WeakPolarHBondContact O-CG 3.43Å; A521-L525 PolarHBondContact O-N 3.49Å; A521-L578 VanDerWaalsContact CA-CD1 3.49Å; A521-L578 HydrophobicContact CB-CD1 3.92Å; A521-L626 HydrophobicContact CB-CD1 3.64Å
522	A	94.3	Very high	93.8	Very high	13 Å²	13	23.4 Å²	23.4	11%	0.107	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-45.8	176.9	0	0	0	0	0	112	P19 N518 D519 L525 S526	P19-A522 HydrophobicContact CB-CB 3.4Å; P19-A522 HydrophobicContact CG-CB 3.9Å; N518-A522 PolarHBondContact O-N 2.83Å; D519-A522 PolarHBondContact O-N 2.98Å; A522-L525 PolarHBondContact O-N 2.99Å; A522-S526 VanDerWaalsContact O-CB 3.32Å; A522-S526 WeakPolarHBondContact O-CB 3.28Å; A522-S526 PolarHBondContact O-N 3.09Å; A522-S526 PolarHBondContact O-OG 3.44Å
523	H	94.6	Very high	93.8	Very high	69 Å²	69	28.1 Å²	28.1	32%	0.319	17%	0.167	S	C	.	.	H	α-helix	trans	-63.3	-46.5	177.2	-173.2	73.3	0	0	0	111.9	D519 A520 L525 S526 A527 W595	D519-H523 WeakPolarHBondContact O-CB 3.43Å; D519-H523 PolarHBondContact O-N 2.88Å; A520-H523 PolarHBondContact O-N 2.92Å; H523-L525 VanDerWaalsContact C-N 3.33Å; H523-L525 PolarHBondContact O-N 3.18Å; H523-S526 PolarHBondContact O-N 2.92Å; H523-A527 VanDerWaalsContact O-CB 3.28Å; H523-A527 WeakPolarHBondContact O-CB 3.27Å; H523-A527 PolarHBondContact O-N 3.45Å; H523-W595 HydrophobicContact CB-CD2 4.44Å; H523-W595 HydrophobicContact CB-CZ2 4.17Å; H523-W595 AromaticContact CD2-CD1 3.26Å; H523-W595 AromaticContact CD2-CD2 3.99Å; H523-W595 AromaticContact CD2-CG 3.5Å; H523-W595 VanDerWaalsContact CD2-CG 3.5Å; H523-W595 AromaticContact CD2-NE1 3.59Å; H523-W595 AromaticContact CE1-CD1 3.58Å; H523-W595 AromaticContact CE1-NE1 3.91Å; H523-W595 AromaticContact CG-CD1 3.55Å; H523-W595 AromaticContact CG-CE2 3.87Å; H523-W595 AromaticContact CG-NE1 3.37Å; H523-W595 AromaticContact ND1-CD1 3.74Å; H523-W595 AromaticContact ND1-NE1 3.6Å; H523-W595 AromaticContact NE2-CD1 3.3Å; H523-W595 VanDerWaalsContact NE2-CD1 3.3Å; H523-W595 AromaticContact NE2-CG 3.8Å; H523-W595 AromaticContact NE2-NE1 3.94Å
524	R	95.2	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.4	-44.6	178.1	173.7	55.7	-172.1	71.2	-1	111.9	A520 A521 M528 G529 G531 D536 L578 M592 L626	A520-R524 VanDerWaalsContact O-CB 3.22Å; A520-R524 WeakPolarHBondContact O-CB 3.27Å; A520-R524 PolarHBondContact O-N 3.13Å; A521-R524 PolarHBondContact O-N 3.3Å; R524-M528 WeakPolarHBondContact CD-SD 3.44Å; R524-M528 PolarHBondContact NE-SD 3.37Å; R524-M528 VanDerWaalsContact NE-SD 3.44Å; R524-M528 WeakPolarHBondContact O-CB 3.28Å; R524-M528 PolarHBondContact O-N 2.83Å; R524-M528 VanDerWaalsContact O-N 3.14Å; R524-G529 PolarHBondContact NH1-O 3.45Å; R524-G531 PolarHBondContact NH2-O 3.08Å; R524-D536 IonicContact CZ-OD1 3.8Å; R524-D536 IonicContact CZ-OD2 2.92Å; R524-D536 IonicContact NE-OD1 2.71Å; R524-D536 PolarHBondContact NE-OD1 3.46Å; R524-D536 IonicContact NE-OD2 2.92Å; R524-D536 IonicContact NH2-OD1 3.55Å; R524-D536 IonicContact NH2-OD2 3.18Å; R524-D536 PolarHBondContact NH2-OD2 3.15Å; R524-L578 HydrophobicContact CB-CD1 4.39Å; R524-M592 HydrophobicContact CB-CE 3.99Å; R524-M592 HydrophobicContact CB-CG 4.48Å; R524-M592 HydrophobicContact CB-SD 3.71Å; R524-M592 HydrophobicContact CG-SD 4.44Å; R524-L626 HydrophobicContact CG-CD2 4.4Å
525	L	93.7	Very high	93.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-72.3	-35.4	-179.5	-69.9	167.9	0	0	0	112.2	Y21 I23 V404 A521 A522 H523 G529 L530 L573 L626	Y21-L525 HydrophobicContact CD1-CB 3.7Å; Y21-L525 HydrophobicContact CD1-CD1 3.62Å; Y21-L525 HydrophobicContact CD1-CG 4.24Å; Y21-L525 HydrophobicContact CD2-CB 4.09Å; Y21-L525 HydrophobicContact CE1-CB 3.51Å; Y21-L525 HydrophobicContact CE1-CD1 3.93Å; Y21-L525 HydrophobicContact CE1-CD2 4.37Å; Y21-L525 HydrophobicContact CE1-CG 4.15Å; Y21-L525 HydrophobicContact CE2-CB 3.88Å; Y21-L525 HydrophobicContact CG-CB 3.99Å; Y21-L525 HydrophobicContact CG-CD1 4.31Å; Y21-L525 PolarHBondContact OH-O 3.35Å; I23-L525 HydrophobicContact CD1-CD1 4.32Å; I23-L525 HydrophobicContact CD1-CD2 4.3Å; V404-L525 HydrophobicContact CB-CD1 4.35Å; V404-L525 HydrophobicContact CG1-CD1 3.89Å; V404-L525 HydrophobicContact CG2-CD1 3.46Å; V404-L525 VanDerWaalsContact CG2-CD1 3.46Å; A521-L525 WeakPolarHBondContact O-CB 3.37Å; A521-L525 VanDerWaalsContact O-CG 3.29Å; A521-L525 WeakPolarHBondContact O-CG 3.43Å; A521-L525 PolarHBondContact O-N 3.49Å; A522-L525 PolarHBondContact O-N 2.99Å; H523-L525 VanDerWaalsContact C-N 3.33Å; H523-L525 PolarHBondContact O-N 3.18Å; L525-G529 VanDerWaalsContact O-CA 3.28Å; L525-G529 WeakPolarHBondContact O-CA 3.15Å; L525-G529 PolarHBondContact O-N 3.25Å; L525-G529 VanDerWaalsContact O-N 3.12Å; L525-L530 HydrophobicContact CD2-CD2 4Å; L525-L573 HydrophobicContact CD2-CD2 4.32Å; L525-L626 HydrophobicContact CD1-CD1 4.18Å; L525-L626 HydrophobicContact CD2-CD2 3.94Å; L525-L626 HydrophobicContact CD2-CG 4.48Å; L525-L626 HydrophobicContact CG-CD1 4.27Å; L525-L626 HydrophobicContact CG-CD2 4.33Å
526	S	92	Very high	93.9	Very high	81 Å²	81	31.3 Å²	31.3	57%	0.566	18%	0.184	S	C	*	.	H	α-helix	trans	-74.6	-42.8	-179.9	-55.2	0	0	0	0	112.6	Y21 A522 H523	Y21-S526 VanDerWaalsContact CD2-OG 3.29Å; Y21-S526 WeakPolarHBondContact CD2-OG 3.08Å; A522-S526 VanDerWaalsContact O-CB 3.32Å; A522-S526 WeakPolarHBondContact O-CB 3.28Å; A522-S526 PolarHBondContact O-N 3.09Å; A522-S526 PolarHBondContact O-OG 3.44Å; H523-S526 PolarHBondContact O-N 2.92Å
527	A	92.3	Very high	93.9	Very high	65 Å²	65	31.3 Å²	31.3	54%	0.537	18%	0.184	S	C	.	.	H	α-helix	trans	-81.6	-34	-175.6	0	0	0	0	0	113.3	H523	H523-A527 VanDerWaalsContact O-CB 3.28Å; H523-A527 WeakPolarHBondContact O-CB 3.27Å; H523-A527 PolarHBondContact O-N 3.45Å
528	M	92.3	Very high	93.8	Very high	30 Å²	30	31.3 Å²	31.3	15%	0.148	18%	0.184	C	C	.	.	H	α-helix	trans	-117.4	-8.2	-170.7	-63.5	-179.3	-166.4	0	0	114.2	R524 R533 N590 A591 M592	R524-M528 WeakPolarHBondContact CD-SD 3.44Å; R524-M528 PolarHBondContact NE-SD 3.37Å; R524-M528 VanDerWaalsContact NE-SD 3.44Å; R524-M528 WeakPolarHBondContact O-CB 3.28Å; R524-M528 PolarHBondContact O-N 2.83Å; R524-M528 VanDerWaalsContact O-N 3.14Å; M528-R533 HydrophobicContact CB-CG 3.98Å; M528-R533 HydrophobicContact CG-CG 4.47Å; M528-R533 PolarHBondContact O-NE 3Å; M528-R533 PolarHBondContact O-NH2 2.71Å; M528-R533 VanDerWaalsContact O-NH2 3.07Å; M528-R533 HydrophobicContact SD-CB 4.45Å; M528-R533 HydrophobicContact SD-CG 4.26Å; M528-N590 HydrophobicContact CE-CB 4.32Å; M528-A591 HydrophobicContact CE-CB 3.73Å; M528-M592 HydrophobicContact CE-CG 3.86Å; M528-M592 HydrophobicContact CE-SD 4.32Å
529	G	90.4	Very high	93.5	Very high	24 Å²	24	35.5 Å²	35.5	25%	0.247	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	-167.4	177.5	0	0	0	0	0	114.6	R524 L525 G531	R524-G529 PolarHBondContact NH1-O 3.45Å; L525-G529 VanDerWaalsContact O-CA 3.28Å; L525-G529 WeakPolarHBondContact O-CA 3.15Å; L525-G529 PolarHBondContact O-N 3.25Å; L525-G529 VanDerWaalsContact O-N 3.12Å; G529-G531 VanDerWaalsContact C-N 3.31Å; G529-G531 PolarHBondContact O-N 2.93Å
530	L	89.5	Confident	92.8	Very high	82 Å²	82	35.4 Å²	35.4	43%	0.429	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	10.7	-173.7	-59.2	177	0	0	0	114.5	Y21 I23 L525 L573	Y21-L530 HydrophobicContact CE1-CD2 4.37Å; I23-L530 HydrophobicContact CD1-CD2 3.74Å; L525-L530 HydrophobicContact CD2-CD2 4Å; L530-L573 HydrophobicContact CB-CD2 4.15Å; L530-L573 HydrophobicContact CD2-CD2 4.04Å; L530-L573 WeakPolarHBondContact O-CD2 3.49Å
531	G	90.8	Very high	91.3	Very high	29 Å²	29	42 Å²	42	30%	0.299	23%	0.231	S	C	.	.	S	Bend	trans	-96.9	151.9	174.2	0	0	0	0	0	111.6	R524 G529	R524-G531 PolarHBondContact NH2-O 3.08Å; G529-G531 VanDerWaalsContact C-N 3.31Å; G529-G531 PolarHBondContact O-N 2.93Å
532	V	93.3	Very high	89	Confident	18 Å²	18	47 Å²	47	11%	0.109	26%	0.262	C	S	.	.			trans	-66.9	138.2	163.9	-176.2	0	0	0	0	108.4	D536 V561 Y571 A572 V576	V532-D536 HydrophobicContact CG1-CB 4.36Å; V532-V561 HydrophobicContact CG1-CB 4.38Å; V532-V561 HydrophobicContact CG1-CG1 4Å; V532-V561 HydrophobicContact CG1-CG2 3.89Å; V532-Y571 VanDerWaalsContact CG2-O 3.32Å; V532-Y571 WeakPolarHBondContact CG2-O 3.22Å; V532-A572 WeakPolarHBondContact CG2-O 3.29Å; V532-V576 HydrophobicContact CB-CG2 4.42Å; V532-V576 HydrophobicContact CG1-CG2 4.15Å; V532-V576 HydrophobicContact CG2-CG2 3.79Å
533	R	94.6	Very high	86.4	Confident	99 Å²	99	49.3 Å²	49.3	37%	0.374	29%	0.288	S	S	.	.			trans	-120.7	152.4	-179.6	-60.7	-55.2	-177.4	-179.4	0.2	111.1	M528 G535 D536 E566	M528-R533 HydrophobicContact CB-CG 3.98Å; M528-R533 HydrophobicContact CG-CG 4.47Å; M528-R533 PolarHBondContact O-NE 3Å; M528-R533 PolarHBondContact O-NH2 2.71Å; M528-R533 VanDerWaalsContact O-NH2 3.07Å; M528-R533 HydrophobicContact SD-CB 4.45Å; M528-R533 HydrophobicContact SD-CG 4.26Å; R533-G535 PolarHBondContact O-N 3.45Å; R533-D536 PolarHBondContact N-OD2 3Å; R533-D536 VanDerWaalsContact O-CB 3.29Å; R533-D536 WeakPolarHBondContact O-CB 3.4Å; R533-D536 PolarHBondContact O-N 2.9Å; R533-E566 WeakPolarHBondContact CD-OE1 3.19Å; R533-E566 IonicContact NH1-OE1 3.99Å; R533-E566 PolarHBondContact NH1-OE1 3.08Å; R533-E566 VanDerWaalsContact NH1-OE1 3.15Å
534	Q	95.4	Very high	83.5	Confident	98 Å²	98	55.3 Å²	55.3	46%	0.458	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	134	166.1	-176.8	-177.3	1.7	0	0	110.3	D536 R563 E566 N590	Q534-D536 VanDerWaalsContact C-N 3.34Å; Q534-R563 HydrophobicContact CG-CB 4.4Å; Q534-E566 WeakPolarHBondContact CB-OE2 3.45Å; Q534-E566 PolarHBondContact N-OE2 2.94Å; Q534-N590 WeakPolarHBondContact O-CB 3.26Å; Q534-N590 PolarHBondContact O-ND2 3.33Å
535	G	94.3	Very high	80.5	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.01	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	-7.2	-179.6	0	0	0	0	0	115.2	R533 V561 P588 E589	R533-G535 PolarHBondContact O-N 3.45Å; G535-V561 PolarHBondContact N-O 3.14Å; G535-P588 CarbonylContact O-C 3.55Å; G535-P588 VanDerWaalsContact O-CA 3.28Å; G535-P588 WeakPolarHBondContact O-CA 3.44Å; G535-P588 VanDerWaalsContact O-CB 3.32Å; G535-P588 WeakPolarHBondContact O-CB 3.33Å; G535-E589 PolarHBondContact O-N 2.75Å
536	D	96.1	Very high	77.7	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.005	40%	0.399	C	S	.	.			trans	-62.8	154.4	171.6	-76.6	-25.2	0	0	0	111.3	R524 V532 R533 Q534 V560 V561 V576 N590	R524-D536 IonicContact CZ-OD1 3.8Å; R524-D536 IonicContact CZ-OD2 2.92Å; R524-D536 IonicContact NE-OD1 2.71Å; R524-D536 PolarHBondContact NE-OD1 3.46Å; R524-D536 IonicContact NE-OD2 2.92Å; R524-D536 IonicContact NH2-OD1 3.55Å; R524-D536 IonicContact NH2-OD2 3.18Å; R524-D536 PolarHBondContact NH2-OD2 3.15Å; V532-D536 HydrophobicContact CG1-CB 4.36Å; R533-D536 PolarHBondContact N-OD2 3Å; R533-D536 VanDerWaalsContact O-CB 3.29Å; R533-D536 WeakPolarHBondContact O-CB 3.4Å; R533-D536 PolarHBondContact O-N 2.9Å; Q534-D536 VanDerWaalsContact C-N 3.34Å; D536-V560 WeakPolarHBondContact O-CA 3.48Å; D536-V561 HydrophobicContact CB-CB 4.5Å; D536-V561 HydrophobicContact CB-CG2 4.21Å; D536-V561 WeakPolarHBondContact O-CG2 3.34Å; D536-V561 PolarHBondContact O-N 3.44Å; D536-V576 HydrophobicContact CB-CG1 4.19Å; D536-V576 HydrophobicContact CB-CG2 4.38Å; D536-N590 PolarHBondContact OD1-ND2 2.91Å; D536-N590 VanDerWaalsContact OD1-ND2 3.16Å
537	L	95.5	Very high	74.7	Confident	0 Å²	0	77 Å²	77	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.1	178.2	-55.7	-179.9	0	0	0	110	I558 H559 V560 V576 L577 K586 P588 Y623	L537-I558 HydrophobicContact CB-CG2 4.06Å; L537-I558 HydrophobicContact CD1-CG2 4.5Å; L537-I558 HydrophobicContact CD2-CG2 4.09Å; L537-I558 HydrophobicContact CG-CG2 4.44Å; L537-H559 WeakPolarHBondContact CA-O 3.28Å; L537-V560 HydrophobicContact CD2-CG2 3.81Å; L537-V576 CarbonylContact O-C 3.6Å; L537-V576 WeakPolarHBondContact O-CA 3.3Å; L537-L577 HydrophobicContact CB-CB 4.29Å; L537-L577 PolarHBondContact O-N 2.82Å; L537-K586 WeakPolarHBondContact CD1-O 3.26Å; L537-P588 HydrophobicContact CD1-CG 4.19Å; L537-P588 HydrophobicContact CG-CB 4.43Å; L537-P588 HydrophobicContact CG-CG 4.13Å; L537-Y623 HydrophobicContact CD1-CD1 4.17Å; L537-Y623 HydrophobicContact CD1-CE1 3.95Å
538	V	94.3	Very high	72.3	Confident	0 Å²	0	83 Å²	83	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	159.1	175.2	-60.8	0	0	0	0	110	H559 V561 Y571 Q575 V576	V538-H559 HydrophobicContact CG2-CB 3.89Å; V538-H559 PolarHBondContact N-O 3.41Å; V538-H559 PolarHBondContact O-N 2.73Å; V538-V561 HydrophobicContact CG1-CG2 3.79Å; V538-V561 HydrophobicContact CG2-CG2 4.06Å; V538-Y571 HydrophobicContact CB-CD1 4.27Å; V538-Y571 HydrophobicContact CB-CE1 4.4Å; V538-Y571 HydrophobicContact CG1-CD1 4.31Å; V538-Y571 HydrophobicContact CG1-CG 4.24Å; V538-Y571 HydrophobicContact CG2-CD1 3.94Å; V538-Y571 HydrophobicContact CG2-CD2 4.28Å; V538-Y571 HydrophobicContact CG2-CE1 3.7Å; V538-Y571 HydrophobicContact CG2-CE2 4.05Å; V538-Y571 HydrophobicContact CG2-CG 4.22Å; V538-Q575 HydrophobicContact CG1-CB 4.37Å; V538-V576 HydrophobicContact CG1-CG2 4.46Å
539	W	88.6	Confident	69.4	Low	90 Å²	90	89.2 Å²	89.2	34%	0.341	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	134.9	169.4	-63.9	119.7	0	0	0	109.8	Q541 P556 I558 L577 Y623	W539-Q541 PolarHBondContact O-N 3.49Å; W539-P556 HydrophobicContact CD2-CB 4Å; W539-P556 HydrophobicContact CD2-CG 4.25Å; W539-P556 HydrophobicContact CE3-CB 3.5Å; W539-P556 VanDerWaalsContact CE3-CB 3.5Å; W539-P556 HydrophobicContact CE3-CG 3.76Å; W539-P556 HydrophobicContact CH2-CG 3.98Å; W539-P556 HydrophobicContact CZ2-CG 4.45Å; W539-P556 HydrophobicContact CZ3-CB 3.85Å; W539-P556 HydrophobicContact CZ3-CG 3.61Å; W539-P556 VanDerWaalsContact CZ3-O 3.24Å; W539-P556 WeakPolarHBondContact CZ3-O 3.36Å; W539-I558 HydrophobicContact CE3-CG1 3.87Å; W539-I558 HydrophobicContact CZ3-CD1 4.04Å; W539-I558 HydrophobicContact CZ3-CG1 3.62Å; W539-L577 HydrophobicContact CD2-CD1 3.47Å; W539-L577 VanDerWaalsContact CD2-CD1 3.47Å; W539-L577 HydrophobicContact CE3-CD1 3.95Å; W539-L577 HydrophobicContact CG-CD1 3.78Å; W539-L577 HydrophobicContact CH2-CD1 4.32Å; W539-L577 HydrophobicContact CZ2-CD1 3.86Å; W539-L577 HydrophobicContact CZ2-CD2 4.49Å; W539-L577 HydrophobicContact CZ3-CD1 4.34Å; W539-Y623 HydrophobicContact CH2-CD2 4.48Å
540	T	81.5	Confident	66.7	Low	43 Å²	43	92 Å²	92	26%	0.264	48%	0.484	S	S	.	.			trans	-60.8	128.3	167.2	42.6	0	0	0	0	108.8	T542 Q557 H559	T540-T542 PolarHBondContact O-N 3.04Å; T540-Q557 HydrophobicContact CG2-CB 4.27Å; T540-Q557 HydrophobicContact CG2-CG 4.45Å; T540-Q557 PolarHBondContact N-O 3.41Å; T540-Q557 WeakPolarHBondContact OG1-CB 3.45Å; T540-Q557 PolarHBondContact OG1-N 3.41Å; T540-Q557 PolarHBondContact OG1-O 3.04Å; T540-H559 HydrophobicContact CG2-CB 3.82Å
541	Q	63	Low	64.1	Low	137 Å²	137	92.6 Å²	92.6	64%	0.64	51%	0.509	S	S	*	.			trans	-63.6	106.3	168	-64.1	-174.7	8.5	0	0	107.5	W539 G543	W539-Q541 PolarHBondContact O-N 3.49Å; Q541-G543 PolarHBondContact O-N 3.41Å
542	T	47	Very low	61.3	Low	105 Å²	105	99.4 Å²	99.4	64%	0.644	53%	0.533	S	S	*	.			trans	-60.7	112.5	164.9	42.3	0	0	0	0	106.5	T540	T540-T542 PolarHBondContact O-N 3.04Å
543	G	39.5	Very low	58.6	Low	63 Å²	63	105.8 Å²	105.8	65%	0.649	57%	0.565	S	S	*	*			trans	-47.2	142.2	179.9	0	0	0	0	0	111.5	Q541 N545	Q541-G543 PolarHBondContact O-N 3.41Å; G543-N545 PolarHBondContact O-N 3.06Å
544	Q	34.8	Very low	56	Low	194 Å²	194	107.7 Å²	107.7	91%	0.907	58%	0.581	S	S	*	*	S	Bend	trans	-55.1	90.1	161.5	-70.1	167.7	-35.1	0	0	108.6
545	N	32	Very low	53.8	Low	152 Å²	152	107.7 Å²	107.7	81%	0.813	59%	0.592	S	S	*	*			trans	-163.3	73.8	161	-92.1	-22	0	0	0	107.1	G543 T547	G543-N545 PolarHBondContact O-N 3.06Å; N545-T547 VanDerWaalsContact C-N 3.33Å; N545-T547 PolarHBondContact O-N 3.3Å; N545-T547 VanDerWaalsContact O-N 3.13Å
546	R	33.9	Very low	52.2	Low	251 Å²	251	111 Å²	111	95%	0.947	61%	0.613	S	S	*	*			trans	-76.6	88.9	166.2	-73.2	-177.3	176.4	-178.8	-1	107.9
547	T	29.1	Very low	51.5	Low	135 Å²	135	117.7 Å²	117.7	83%	0.828	65%	0.645	S	S	*	*			trans	-86.5	119.6	146.3	18.5	0	0	0	0	106.4	N545 D549	N545-T547 VanDerWaalsContact C-N 3.33Å; N545-T547 PolarHBondContact O-N 3.3Å; N545-T547 VanDerWaalsContact O-N 3.13Å; T547-D549 PolarHBondContact O-N 2.84Å
548	E	43.2	Very low	51.2	Low	190 Å²	190	119 Å²	119	89%	0.888	65%	0.651	S	S	*	*			trans	-65.8	105.3	174.1	-62	176	160.6	0	0	108
549	D	30.5	Very low	51.2	Low	162 Å²	162	121.2 Å²	121.2	87%	0.866	66%	0.662	S	S	*	*			trans	-157	139.4	148.6	-126.5	-20.9	0	0	0	112.9	T547	T547-D549 PolarHBondContact O-N 2.84Å
550	A	33.8	Very low	51.5	Low	83 Å²	83	118.4 Å²	118.4	69%	0.686	65%	0.654	S	S	*	*			trans	58.3	89.6	171.6	0	0	0	0	0	118.6	E552	A550-E552 PolarHBondContact O-N 3Å
551	G	35.6	Very low	52.1	Low	93 Å²	93	116.5 Å²	116.5	96%	0.959	64%	0.643	S	S	*	*				52.4	-5.2	116.4	0	0	0	0	0	123.4
552	E	32	Very low	53.6	Low	172 Å²	172	112.4 Å²	112.4	80%	0.804	63%	0.627	S	S	*	*			trans	-105.5	120.1	175.6	-71.9	-168.3	163.1	0	0	109.4	A550 I554	A550-E552 PolarHBondContact O-N 3Å; E552-I554 VanDerWaalsContact C-N 3.31Å; E552-I554 PolarHBondContact O-N 2.68Å
553	I	36.5	Very low	55.8	Low	153 Å²	153	114.3 Å²	114.3	79%	0.785	62%	0.622	S	S	*	*			trans	-64.6	96.9	171.7	-61.6	168	0	0	0	106.4	S555	I553-S555 PolarHBondContact O-N 3.45Å
554	I	39.3	Very low	58.4	Low	139 Å²	139	117.4 Å²	117.4	71%	0.713	62%	0.62	S	S	*	*			trans	-55.4	108.7	173.4	-58.7	172.5	0	0	0	106.5	E552	E552-I554 VanDerWaalsContact C-N 3.31Å; E552-I554 PolarHBondContact O-N 2.68Å
555	S	49.7	Very low	61.2	Low	97 Å²	97	110 Å²	110	68%	0.678	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-65.8	126.4	177.2	-62.2	0	0	0	0	107.4	I553 Q557	I553-S555 PolarHBondContact O-N 3.45Å; S555-Q557 PolarHBondContact O-N 2.56Å; S555-Q557 VanDerWaalsContact O-N 3.14Å
556	P	60.3	Low	64	Low	71 Å²	71	105.5 Å²	105.5	46%	0.461	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-59.5	123.9	-178.3	24.4	-33	0	0	0	109.1	W539	W539-P556 HydrophobicContact CD2-CB 4Å; W539-P556 HydrophobicContact CD2-CG 4.25Å; W539-P556 HydrophobicContact CE3-CB 3.5Å; W539-P556 VanDerWaalsContact CE3-CB 3.5Å; W539-P556 HydrophobicContact CE3-CG 3.76Å; W539-P556 HydrophobicContact CH2-CG 3.98Å; W539-P556 HydrophobicContact CZ2-CG 4.45Å; W539-P556 HydrophobicContact CZ3-CB 3.85Å; W539-P556 HydrophobicContact CZ3-CG 3.61Å; W539-P556 VanDerWaalsContact CZ3-O 3.24Å; W539-P556 WeakPolarHBondContact CZ3-O 3.36Å
557	Q	81.8	Confident	66.8	Low	142 Å²	142	100.5 Å²	100.5	66%	0.664	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-78.7	152.1	-179.1	-173.4	173.1	1.2	0	0	109.5	T540 S555	T540-Q557 HydrophobicContact CG2-CB 4.27Å; T540-Q557 HydrophobicContact CG2-CG 4.45Å; T540-Q557 PolarHBondContact N-O 3.41Å; T540-Q557 WeakPolarHBondContact OG1-CB 3.45Å; T540-Q557 PolarHBondContact OG1-N 3.41Å; T540-Q557 PolarHBondContact OG1-O 3.04Å; S555-Q557 PolarHBondContact O-N 2.56Å; S555-Q557 VanDerWaalsContact O-N 3.14Å
558	I	89.6	Confident	69.8	Low	27 Å²	27	97.6 Å²	97.6	14%	0.138	54%	0.537	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.5	-174.5	-64.8	169.3	0	0	0	108.9	L537 W539 Y623	L537-I558 HydrophobicContact CB-CG2 4.06Å; L537-I558 HydrophobicContact CD1-CG2 4.5Å; L537-I558 HydrophobicContact CD2-CG2 4.09Å; L537-I558 HydrophobicContact CG-CG2 4.44Å; W539-I558 HydrophobicContact CE3-CG1 3.87Å; W539-I558 HydrophobicContact CZ3-CD1 4.04Å; W539-I558 HydrophobicContact CZ3-CG1 3.62Å; I558-Y623 HydrophobicContact CD1-CD1 3.59Å; I558-Y623 HydrophobicContact CD1-CD2 3.19Å; I558-Y623 HydrophobicContact CD1-CE1 3.37Å; I558-Y623 HydrophobicContact CD1-CE2 2.97Å; I558-Y623 HydrophobicContact CD1-CG 3.46Å; I558-Y623 VanDerWaalsContact CD1-CG 3.46Å; I558-Y623 WeakPolarHBondContact CD1-OH 3.48Å; I558-Y623 HydrophobicContact CG1-CD2 4.5Å; I558-Y623 HydrophobicContact CG1-CE2 4.45Å
559	H	92.8	Very high	72	Confident	47 Å²	47	91.2 Å²	91.2	22%	0.218	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.2	176.6	-177.2	55.5	0	0	0	110.4	L537 V538 T540 E565 Y571	L537-H559 WeakPolarHBondContact CA-O 3.28Å; V538-H559 HydrophobicContact CG2-CB 3.89Å; V538-H559 PolarHBondContact N-O 3.41Å; V538-H559 PolarHBondContact O-N 2.73Å; T540-H559 HydrophobicContact CG2-CB 3.82Å; H559-E565 IonicContact CD2-OE1 3.01Å; H559-E565 IonicContact CD2-OE2 3.68Å; H559-E565 IonicContact CE1-OE1 3.58Å; H559-E565 IonicContact CE1-OE2 2.85Å; H559-E565 IonicContact NE2-OE1 3.74Å; H559-E565 PolarHBondContact NE2-OE1 3.42Å; H559-E565 IonicContact NE2-OE2 2.65Å; H559-E565 PolarHBondContact NE2-OE2 3.13Å; H559-Y571 AromaticContact CD2-CE2 3.85Å; H559-Y571 AromaticContact CD2-CZ 3.85Å; H559-Y571 PolarHBondContact CD2-OH 3.01Å
560	V	94.8	Very high	74.9	Confident	31 Å²	31	87 Å²	87	19%	0.188	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.2	174.4	-179.5	0	0	0	0	107	D536 L537 T562 E589	D536-V560 WeakPolarHBondContact O-CA 3.48Å; L537-V560 HydrophobicContact CD2-CG2 3.81Å; V560-T562 PolarHBondContact O-N 3.11Å; V560-E589 HydrophobicContact CG1-CB 3.82Å; V560-E589 HydrophobicContact CG1-CG 4.07Å
561	V	94.3	Very high	77.7	Confident	3 Å²	3	84.5 Å²	84.5	2%	0.018	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-62.5	124.2	-176.9	177.9	0	0	0	0	110.2	V532 G535 D536 V538 E565 Y571	V532-V561 HydrophobicContact CG1-CB 4.38Å; V532-V561 HydrophobicContact CG1-CG1 4Å; V532-V561 HydrophobicContact CG1-CG2 3.89Å; G535-V561 PolarHBondContact N-O 3.14Å; D536-V561 HydrophobicContact CB-CB 4.5Å; D536-V561 HydrophobicContact CB-CG2 4.21Å; D536-V561 WeakPolarHBondContact O-CG2 3.34Å; D536-V561 PolarHBondContact O-N 3.44Å; V538-V561 HydrophobicContact CG1-CG2 3.79Å; V538-V561 HydrophobicContact CG2-CG2 4.06Å; V561-E565 HydrophobicContact CG1-CB 4.13Å; V561-Y571 HydrophobicContact CG2-CD2 3.99Å; V561-Y571 HydrophobicContact CG2-CE2 4.46Å
562	T	94.8	Very high	80.4	Confident	51 Å²	51	82.1 Å²	82.1	31%	0.313	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-82.7	167.1	176.9	62.1	0	0	0	0	111.6	V560 E564 E565 E566	V560-T562 PolarHBondContact O-N 3.11Å; T562-E564 VanDerWaalsContact C-N 3.28Å; T562-E564 PolarHBondContact O-N 3.04Å; T562-E565 WeakPolarHBondContact CB-OE2 3.46Å; T562-E565 PolarHBondContact N-OE2 2.88Å; T562-E565 PolarHBondContact O-N 2.56Å; T562-E565 WeakPolarHBondContact OG1-CB 3.38Å; T562-E565 WeakPolarHBondContact OG1-CG 3.39Å; T562-E565 PolarHBondContact OG1-N 3.08Å; T562-E565 PolarHBondContact OG1-OE2 3.29Å; T562-E566 PolarHBondContact O-N 2.99Å; T562-E566 VanDerWaalsContact O-N 3.11Å
563	R	93.7	Very high	83.2	Confident	145 Å²	145	74.7 Å²	74.7	55%	0.547	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-36.5	179.6	-171.4	179	-179.3	-175.7	0.1	111.4	Q534 E566 Q567	Q534-R563 HydrophobicContact CG-CB 4.4Å; R563-E566 PolarHBondContact O-N 2.78Å; R563-Q567 WeakPolarHBondContact O-CG 3.36Å; R563-Q567 PolarHBondContact O-N 3.43Å; R563-Q567 VanDerWaalsContact O-N 3.1Å
564	E	93.6	Very high	85.7	Confident	128 Å²	128	71.8 Å²	71.8	60%	0.598	40%	0.395	S	S	*	.	H	α-helix	trans	-66.3	-41.2	179.1	-62.6	68.7	-149.5	0	0	110.6	T562 Q567 A568	T562-E564 VanDerWaalsContact C-N 3.28Å; T562-E564 PolarHBondContact O-N 3.04Å; E564-Q567 PolarHBondContact O-N 3.06Å; E564-A568 VanDerWaalsContact O-CB 3.29Å; E564-A568 WeakPolarHBondContact O-CB 3.42Å; E564-A568 PolarHBondContact O-N 2.89Å
565	E	93.3	Very high	88.2	Confident	38 Å²	38	68.4 Å²	68.4	18%	0.178	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-35	177.2	-71.6	164.3	150	0	0	113.1	H559 V561 T562 G569 V570 Y571	H559-E565 IonicContact CD2-OE1 3.01Å; H559-E565 IonicContact CD2-OE2 3.68Å; H559-E565 IonicContact CE1-OE1 3.58Å; H559-E565 IonicContact CE1-OE2 2.85Å; H559-E565 IonicContact NE2-OE1 3.74Å; H559-E565 PolarHBondContact NE2-OE1 3.42Å; H559-E565 IonicContact NE2-OE2 2.65Å; H559-E565 PolarHBondContact NE2-OE2 3.13Å; V561-E565 HydrophobicContact CG1-CB 4.13Å; T562-E565 WeakPolarHBondContact CB-OE2 3.46Å; T562-E565 PolarHBondContact N-OE2 2.88Å; T562-E565 PolarHBondContact O-N 2.56Å; T562-E565 WeakPolarHBondContact OG1-CB 3.38Å; T562-E565 WeakPolarHBondContact OG1-CG 3.39Å; T562-E565 PolarHBondContact OG1-N 3.08Å; T562-E565 PolarHBondContact OG1-OE2 3.29Å; E565-G569 PolarHBondContact O-N 2.86Å; E565-V570 HydrophobicContact CB-CB 4.29Å; E565-V570 HydrophobicContact CB-CG2 4.23Å; E565-V570 HydrophobicContact CG-CB 4.46Å; E565-V570 HydrophobicContact CG-CG2 4.21Å; E565-V570 PolarHBondContact O-N 3.29Å; E565-V570 VanDerWaalsContact O-N 3.14Å; E565-Y571 HydrophobicContact CB-CD2 4.39Å; E565-Y571 HydrophobicContact CB-CE2 4.33Å; E565-Y571 HydrophobicContact CG-CE2 4.3Å
566	E	92.3	Very high	90.4	Very high	58 Å²	58	63.8 Å²	63.8	27%	0.271	34%	0.343	S	S	.	.	H	α-helix	trans	-61.6	-47.8	170.5	176.7	176.5	-172	0	0	110.5	R533 Q534 T562 R563 A568 G569	R533-E566 WeakPolarHBondContact CD-OE1 3.19Å; R533-E566 IonicContact NH1-OE1 3.99Å; R533-E566 PolarHBondContact NH1-OE1 3.08Å; R533-E566 VanDerWaalsContact NH1-OE1 3.15Å; Q534-E566 WeakPolarHBondContact CB-OE2 3.45Å; Q534-E566 PolarHBondContact N-OE2 2.94Å; T562-E566 PolarHBondContact O-N 2.99Å; T562-E566 VanDerWaalsContact O-N 3.11Å; R563-E566 PolarHBondContact O-N 2.78Å; E566-A568 VanDerWaalsContact C-N 3.35Å; E566-A568 PolarHBondContact O-N 3.21Å; E566-G569 PolarHBondContact O-N 3.42Å
567	Q	92.1	Very high	92	Very high	145 Å²	145	60.5 Å²	60.5	68%	0.678	32%	0.322	S	S	*	.	H	α-helix	trans	-65.9	-36.9	-179.8	-72	176.1	-2.1	0	0	112.7	R563 E564 G569	R563-Q567 WeakPolarHBondContact O-CG 3.36Å; R563-Q567 PolarHBondContact O-N 3.43Å; R563-Q567 VanDerWaalsContact O-N 3.1Å; E564-Q567 PolarHBondContact O-N 3.06Å; Q567-G569 VanDerWaalsContact C-N 3.29Å
568	A	91.6	Very high	92.7	Very high	75 Å²	75	53.7 Å²	53.7	62%	0.62	29%	0.29	S	S	*	.	H	α-helix	trans	-79	-10.2	177.1	0	0	0	0	0	113.4	E564 E566 V570	E564-A568 VanDerWaalsContact O-CB 3.29Å; E564-A568 WeakPolarHBondContact O-CB 3.42Å; E564-A568 PolarHBondContact O-N 2.89Å; E566-A568 VanDerWaalsContact C-N 3.35Å; E566-A568 PolarHBondContact O-N 3.21Å; A568-V570 VanDerWaalsContact C-N 3.3Å; A568-V570 HydrophobicContact CB-CG2 3.83Å; A568-V570 PolarHBondContact O-N 2.88Å
569	G	90.4	Very high	93	Very high	56 Å²	56	52.4 Å²	52.4	58%	0.577	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	34.7	-179.3	0	0	0	0	0	113.3	E565 E566 Q567 Y571	E565-G569 PolarHBondContact O-N 2.86Å; E566-G569 PolarHBondContact O-N 3.42Å; Q567-G569 VanDerWaalsContact C-N 3.29Å; G569-Y571 VanDerWaalsContact C-N 3.28Å; G569-Y571 PolarHBondContact O-N 3.16Å
570	V	91.3	Very high	93.1	Very high	72 Å²	72	50.9 Å²	50.9	44%	0.436	28%	0.277	S	S	.	.			trans	-64.2	-35.1	-174.2	176.8	0	0	0	0	112	E565 A568	E565-V570 HydrophobicContact CB-CB 4.29Å; E565-V570 HydrophobicContact CB-CG2 4.23Å; E565-V570 HydrophobicContact CG-CB 4.46Å; E565-V570 HydrophobicContact CG-CG2 4.21Å; E565-V570 PolarHBondContact O-N 3.29Å; E565-V570 VanDerWaalsContact O-N 3.14Å; A568-V570 VanDerWaalsContact C-N 3.3Å; A568-V570 HydrophobicContact CB-CG2 3.83Å; A568-V570 PolarHBondContact O-N 2.88Å
571	Y	92.4	Very high	93.1	Very high	32 Å²	32	49.5 Å²	49.5	13%	0.125	27%	0.268	C	S	.	.	S	Bend	trans	-113.5	147.8	-176.8	-62.2	-73.8	0	0	0	111.4	V532 V538 H559 V561 E565 G569	V532-Y571 VanDerWaalsContact CG2-O 3.32Å; V532-Y571 WeakPolarHBondContact CG2-O 3.22Å; V538-Y571 HydrophobicContact CB-CD1 4.27Å; V538-Y571 HydrophobicContact CB-CE1 4.4Å; V538-Y571 HydrophobicContact CG1-CD1 4.31Å; V538-Y571 HydrophobicContact CG1-CG 4.24Å; V538-Y571 HydrophobicContact CG2-CD1 3.94Å; V538-Y571 HydrophobicContact CG2-CD2 4.28Å; V538-Y571 HydrophobicContact CG2-CE1 3.7Å; V538-Y571 HydrophobicContact CG2-CE2 4.05Å; V538-Y571 HydrophobicContact CG2-CG 4.22Å; H559-Y571 AromaticContact CD2-CE2 3.85Å; H559-Y571 AromaticContact CD2-CZ 3.85Å; H559-Y571 PolarHBondContact CD2-OH 3.01Å; V561-Y571 HydrophobicContact CG2-CD2 3.99Å; V561-Y571 HydrophobicContact CG2-CE2 4.46Å; E565-Y571 HydrophobicContact CB-CD2 4.39Å; E565-Y571 HydrophobicContact CB-CE2 4.33Å; E565-Y571 HydrophobicContact CG-CE2 4.3Å; G569-Y571 VanDerWaalsContact C-N 3.28Å; G569-Y571 PolarHBondContact O-N 3.16Å
572	A	91.3	Very high	93	Very high	43 Å²	43	49.6 Å²	49.6	36%	0.355	27%	0.27	S	S	.	.			trans	-103.5	160.6	174	0	0	0	0	0	111.3	V532 E574 Q575	V532-A572 WeakPolarHBondContact CG2-O 3.29Å; A572-E574 WeakPolarHBondContact CB-OE2 3.45Å; A572-E574 PolarHBondContact O-N 2.89Å; A572-Q575 WeakPolarHBondContact O-CB 3.39Å; A572-Q575 PolarHBondContact O-N 3.31Å
573	L	91	Very high	92.9	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.084	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-61.4	-29	-175.4	-173.3	66.3	0	0	0	112.2	L525 L530 Q575 V576 L626 L627	L525-L573 HydrophobicContact CD2-CD2 4.32Å; L530-L573 HydrophobicContact CB-CD2 4.15Å; L530-L573 HydrophobicContact CD2-CD2 4.04Å; L530-L573 WeakPolarHBondContact O-CD2 3.49Å; L573-Q575 PolarHBondContact O-N 3.11Å; L573-V576 HydrophobicContact CD1-CB 4.46Å; L573-V576 HydrophobicContact CD1-CG2 4.18Å; L573-V576 WeakPolarHBondContact O-CB 3.44Å; L573-V576 PolarHBondContact O-N 2.87Å; L573-V576 VanDerWaalsContact O-N 3.11Å; L573-L626 HydrophobicContact CD1-CD2 3.86Å; L573-L626 HydrophobicContact CG-CD2 4.43Å; L573-L627 HydrophobicContact CB-CD1 4.18Å; L573-L627 HydrophobicContact CD2-CD1 3.7Å; L573-L627 HydrophobicContact CD2-CG 4.35Å; L573-L627 HydrophobicContact CG-CD1 3.77Å; L573-L627 HydrophobicContact CG-CG 4.25Å
574	E	90.1	Very high	92.7	Very high	92 Å²	92	46.7 Å²	46.7	43%	0.43	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-62.7	-22.6	176.7	-57.5	83.2	175.9	0	0	112.7	A572 L627 V629	A572-E574 WeakPolarHBondContact CB-OE2 3.45Å; A572-E574 PolarHBondContact O-N 2.89Å; E574-L627 HydrophobicContact CG-CD1 4.35Å; E574-V629 HydrophobicContact CG-CG2 4.48Å
575	Q	91.4	Very high	92.7	Very high	67 Å²	67	41.5 Å²	41.5	31%	0.313	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-90	-10.9	178.8	-60.2	176.3	-68.6	0	0	112.9	V538 A572 L573	V538-Q575 HydrophobicContact CG1-CB 4.37Å; A572-Q575 WeakPolarHBondContact O-CB 3.39Å; A572-Q575 PolarHBondContact O-N 3.31Å; L573-Q575 PolarHBondContact O-N 3.11Å
576	V	94.9	Very high	92.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133	-179.2	176.4	0	0	0	0	110.4	V532 D536 L537 V538 L573 L626	V532-V576 HydrophobicContact CB-CG2 4.42Å; V532-V576 HydrophobicContact CG1-CG2 4.15Å; V532-V576 HydrophobicContact CG2-CG2 3.79Å; D536-V576 HydrophobicContact CB-CG1 4.19Å; D536-V576 HydrophobicContact CB-CG2 4.38Å; L537-V576 CarbonylContact O-C 3.6Å; L537-V576 WeakPolarHBondContact O-CA 3.3Å; V538-V576 HydrophobicContact CG1-CG2 4.46Å; L573-V576 HydrophobicContact CD1-CB 4.46Å; L573-V576 HydrophobicContact CD1-CG2 4.18Å; L573-V576 WeakPolarHBondContact O-CB 3.44Å; L573-V576 PolarHBondContact O-N 2.87Å; L573-V576 VanDerWaalsContact O-N 3.11Å; V576-L626 HydrophobicContact CB-CB 4.46Å; V576-L626 HydrophobicContact CB-CD2 4.49Å; V576-L626 HydrophobicContact CG1-CB 4.43Å; V576-L626 HydrophobicContact CG1-CD2 4.19Å; V576-L626 WeakPolarHBondContact O-CB 3.46Å; V576-L626 PolarHBondContact O-N 3.46Å
577	L	95.6	Very high	92.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.1	179.7	-51.1	174.6	0	0	0	109.8	L537 W539 R624 P625	L537-L577 HydrophobicContact CB-CB 4.29Å; L537-L577 PolarHBondContact O-N 2.82Å; W539-L577 HydrophobicContact CD2-CD1 3.47Å; W539-L577 VanDerWaalsContact CD2-CD1 3.47Å; W539-L577 HydrophobicContact CE3-CD1 3.95Å; W539-L577 HydrophobicContact CG-CD1 3.78Å; W539-L577 HydrophobicContact CH2-CD1 4.32Å; W539-L577 HydrophobicContact CZ2-CD1 3.86Å; W539-L577 HydrophobicContact CZ2-CD2 4.49Å; W539-L577 HydrophobicContact CZ3-CD1 4.34Å; L577-R624 WeakPolarHBondContact CA-O 3.25Å; L577-P625 HydrophobicContact CD2-CB 4.28Å; L577-P625 HydrophobicContact CD2-CG 4.01Å
578	L	96.3	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.8	166.7	-70.2	-179.6	0	0	0	110.2	W517 A520 A521 R524 P588 R624 L626	W517-L578 HydrophobicContact CZ2-CB 4.37Å; W517-L578 VanDerWaalsContact NE1-CB 3.35Å; W517-L578 PolarHBondContact NE1-O 3.28Å; W517-L578 VanDerWaalsContact NE1-O 3.09Å; A520-L578 HydrophobicContact CB-CD1 4.34Å; A521-L578 VanDerWaalsContact CA-CD1 3.49Å; A521-L578 HydrophobicContact CB-CD1 3.92Å; R524-L578 HydrophobicContact CB-CD1 4.39Å; L578-P588 HydrophobicContact CD2-CG 4.43Å; L578-R624 PolarHBondContact N-O 3.42Å; L578-R624 PolarHBondContact O-N 2.89Å; L578-L626 HydrophobicContact CD1-CD1 3.85Å
579	P	95.4	Very high	93	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137	177.5	31.1	-34.3	0	0	0	110.7	V585 Y587 Y596 Y623	P579-V585 HydrophobicContact CB-CB 4.04Å; P579-V585 HydrophobicContact CB-CG1 4.48Å; P579-V585 HydrophobicContact CB-CG2 4.15Å; P579-Y587 HydrophobicContact CG-CD1 3.78Å; P579-Y587 HydrophobicContact CG-CE1 4.13Å; P579-Y596 WeakPolarHBondContact CD-OH 3.49Å; P579-Y596 HydrophobicContact CG-CE2 4.04Å; P579-Y596 PolarHBondContact O-OH 3.44Å; P579-Y623 HydrophobicContact CB-CD1 4.15Å; P579-Y623 HydrophobicContact CB-CE1 4.14Å
580	M	94.5	Very high	93.1	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.074	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129	155.3	-72.5	-141.4	-68.9	0	0	108.3	Y407 C513 W517 G582 C622	Y407-M580 HydrophobicContact CE2-SD 3.7Å; Y407-M580 WeakPolarHBondContact OH-CE 3.47Å; Y407-M580 PolarHBondContact OH-SD 2.93Å; C513-M580 HydrophobicContact CB-SD 4.44Å; W517-M580 HydrophobicContact CB-CG 4.23Å; W517-M580 HydrophobicContact CG-CG 4.19Å; M580-G582 PolarHBondContact O-N 3.2Å; M580-C622 WeakPolarHBondContact CE-SG 3.47Å; M580-C622 PolarHBondContact N-O 3.23Å
581	P	94.6	Very high	93.2	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.212	C	C	.	.	S	Bend	trans	-51.8	138.9	-179.9	-26.6	33.4	0	0	0	112.9	C513 V516 Y596 L600 F610	C513-P581 PolarHBondContact SG-O 2.84Å; V516-P581 HydrophobicContact CB-CG 3.97Å; V516-P581 HydrophobicContact CG1-CG 3.64Å; P581-Y596 HydrophobicContact CG-CD1 4.41Å; P581-Y596 HydrophobicContact CG-CE1 4.2Å; P581-L600 HydrophobicContact CB-CD2 4.43Å; P581-L600 HydrophobicContact CG-CD2 4.44Å; P581-F610 HydrophobicContact CB-CD1 4.49Å; P581-F610 HydrophobicContact CB-CE1 3.53Å; P581-F610 HydrophobicContact CB-CE2 4.34Å; P581-F610 HydrophobicContact CB-CZ 3.44Å; P581-F610 VanDerWaalsContact CB-CZ 3.44Å
582	G	93.4	Very high	93.3	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	21%	0.206	C	C	.	.	S	Bend	trans	178	174.2	-176.5	0	0	0	0	0	111.3	M580 V585 L619 P620	M580-G582 PolarHBondContact O-N 3.2Å; G582-V585 WeakPolarHBondContact O-CG2 3.34Å; G582-L619 WeakPolarHBondContact CA-O 3.44Å; G582-P620 CarbonylContact C-O 3.57Å
583	N	91.4	Very high	93.5	Very high	51 Å²	51	40 Å²	40	27%	0.273	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.1	-174.2	63.8	32.1	0	0	0	115.6	R609 F610 R611 N618 L619 P620	N583-R609 WeakPolarHBondContact CB-O 3.37Å; N583-R609 PolarHBondContact ND2-O 3.45Å; N583-F610 HydrophobicContact CB-CB 4.37Å; N583-R611 PolarHBondContact ND2-NE 3.37Å; N583-N618 PolarHBondContact ND2-OD1 3.15Å; N583-L619 PolarHBondContact N-O 3.41Å; N583-P620 PolarHBondContact N-O 2.84Å; N583-P620 WeakPolarHBondContact OD1-CA 2.87Å
584	S	90.9	Very high	93.7	Very high	83 Å²	83	42 Å²	42	58%	0.58	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.4	9.8	-177.1	-54.4	0	0	0	0	112.9	P620	S584-P620 WeakPolarHBondContact CA-O 3.5Å; S584-P620 WeakPolarHBondContact CB-O 3.22Å; S584-P620 PolarHBondContact N-O 3.47Å
585	V	92.2	Very high	94	Very high	19 Å²	19	39.5 Å²	39.5	12%	0.115	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-96.1	147.2	-179.8	-64.1	0	0	0	0	112.5	P579 G582 Y587 Y623	P579-V585 HydrophobicContact CB-CB 4.04Å; P579-V585 HydrophobicContact CB-CG1 4.48Å; P579-V585 HydrophobicContact CB-CG2 4.15Å; G582-V585 WeakPolarHBondContact O-CG2 3.34Å; V585-Y587 HydrophobicContact CG2-CE2 4.11Å; V585-Y623 WeakPolarHBondContact CA-OH 3.31Å; V585-Y623 HydrophobicContact CB-CE1 4.28Å; V585-Y623 HydrophobicContact CG1-CE1 4.49Å; V585-Y623 HydrophobicContact CG1-CE2 4.16Å
586	K	92	Very high	94.2	Very high	131 Å²	131	36.4 Å²	36.4	57%	0.57	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-90.8	138	166.9	-65.2	-175.2	178.3	-175.7	0	108.5	L537 Y623	L537-K586 WeakPolarHBondContact CD1-O 3.26Å; K586-Y623 PolarHBondContact N-OH 2.94Å
587	Y	93.9	Very high	94.2	Very high	51 Å²	51	42.4 Å²	42.4	20%	0.2	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-95.4	146.4	173.5	-69.6	-85	0	0	0	110.6	P579 V585 R593 Y596	P579-Y587 HydrophobicContact CG-CD1 3.78Å; P579-Y587 HydrophobicContact CG-CE1 4.13Å; V585-Y587 HydrophobicContact CG2-CE2 4.11Å; Y587-R593 PolarHBondContact O-NH2 3.12Å; Y587-Y596 HydrophobicContact CD1-CD1 4.06Å; Y587-Y596 AromaticContact CD1-CD2 3.61Å; Y587-Y596 HydrophobicContact CD1-CD2 3.61Å; Y587-Y596 HydrophobicContact CD1-CE1 4.49Å; Y587-Y596 HydrophobicContact CD1-CE2 4.13Å; Y587-Y596 AromaticContact CD1-CG 3.58Å; Y587-Y596 HydrophobicContact CD1-CG 3.58Å; Y587-Y596 AromaticContact CE1-CD1 3.57Å; Y587-Y596 HydrophobicContact CE1-CD1 3.57Å; Y587-Y596 HydrophobicContact CE1-CD2 4.02Å; Y587-Y596 HydrophobicContact CE1-CE1 4.04Å; Y587-Y596 HydrophobicContact CE1-CE2 4.48Å; Y587-Y596 AromaticContact CE1-CG 3.54Å; Y587-Y596 HydrophobicContact CE1-CG 3.54Å
588	P	94.7	Very high	94.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-48.8	148	177.3	-26	32.7	0	0	0	112.6	G535 L537 L578 N590 M592 R593	G535-P588 CarbonylContact O-C 3.55Å; G535-P588 VanDerWaalsContact O-CA 3.28Å; G535-P588 WeakPolarHBondContact O-CA 3.44Å; G535-P588 VanDerWaalsContact O-CB 3.32Å; G535-P588 WeakPolarHBondContact O-CB 3.33Å; L537-P588 HydrophobicContact CD1-CG 4.19Å; L537-P588 HydrophobicContact CG-CB 4.43Å; L537-P588 HydrophobicContact CG-CG 4.13Å; L578-P588 HydrophobicContact CD2-CG 4.43Å; P588-N590 PolarHBondContact O-N 3.47Å; P588-M592 HydrophobicContact CB-CB 4.11Å; P588-M592 HydrophobicContact CG-CB 4.08Å; P588-R593 WeakPolarHBondContact O-CB 3.39Å; P588-R593 PolarHBondContact O-NE 3.07Å
589	E	94.5	Very high	94.2	Very high	118 Å²	118	51.6 Å²	51.6	55%	0.551	27%	0.265	S	S	*	.	S	Bend	trans	-91.5	43.3	179.2	-74.8	-178.7	-166.2	0	0	112.2	G535 V560 R593	G535-E589 PolarHBondContact O-N 2.75Å; V560-E589 HydrophobicContact CG1-CB 3.82Å; V560-E589 HydrophobicContact CG1-CG 4.07Å; E589-R593 IonicContact OE1-NH2 3.61Å
590	N	93.2	Very high	94.2	Very high	29 Å²	29	52.2 Å²	52.2	16%	0.155	27%	0.269	C	S	.	.	S	Bend	trans	-140.8	-167.5	179.2	61.6	28.4	0	0	0	110.8	M528 Q534 D536 P588 M592 R593	M528-N590 HydrophobicContact CE-CB 4.32Å; Q534-N590 WeakPolarHBondContact O-CB 3.26Å; Q534-N590 PolarHBondContact O-ND2 3.33Å; D536-N590 PolarHBondContact OD1-ND2 2.91Å; D536-N590 VanDerWaalsContact OD1-ND2 3.16Å; P588-N590 PolarHBondContact O-N 3.47Å; N590-M592 PolarHBondContact O-N 2.76Å; N590-M592 WeakPolarHBondContact OD1-CB 3.34Å; N590-M592 VanDerWaalsContact OD1-CG 3.31Å; N590-M592 WeakPolarHBondContact OD1-CG 3.27Å; N590-M592 PolarHBondContact OD1-N 3.14Å; N590-R593 WeakPolarHBondContact O-CB 3.48Å; N590-R593 PolarHBondContact O-N 2.85Å
591	A	93.8	Very high	94.3	Very high	65 Å²	65	53.7 Å²	53.7	54%	0.537	28%	0.283	S	S	.	.	H	α-helix	trans	-56.2	-21.1	-178.6	0	0	0	0	0	113.6	M528 R593 A594 W595	M528-A591 HydrophobicContact CE-CB 3.73Å; A591-R593 PolarHBondContact O-N 3.23Å; A591-A594 PolarHBondContact O-N 3.22Å; A591-W595 PolarHBondContact O-N 3.02Å; A591-W595 VanDerWaalsContact O-N 3.15Å
592	M	95.3	Very high	94.3	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-31.2	174.2	-65.9	-57.5	-60.1	0	0	112.7	A520 R524 M528 P588 N590 W595 Y596	A520-M592 HydrophobicContact CB-CE 3.93Å; A520-M592 VanDerWaalsContact O-CE 3.3Å; A520-M592 WeakPolarHBondContact O-CE 3.18Å; R524-M592 HydrophobicContact CB-CE 3.99Å; R524-M592 HydrophobicContact CB-CG 4.48Å; R524-M592 HydrophobicContact CB-SD 3.71Å; R524-M592 HydrophobicContact CG-SD 4.44Å; M528-M592 HydrophobicContact CE-CG 3.86Å; M528-M592 HydrophobicContact CE-SD 4.32Å; P588-M592 HydrophobicContact CB-CB 4.11Å; P588-M592 HydrophobicContact CG-CB 4.08Å; N590-M592 PolarHBondContact O-N 2.76Å; N590-M592 WeakPolarHBondContact OD1-CB 3.34Å; N590-M592 VanDerWaalsContact OD1-CG 3.31Å; N590-M592 WeakPolarHBondContact OD1-CG 3.27Å; N590-M592 PolarHBondContact OD1-N 3.14Å; M592-W595 HydrophobicContact CE-CD2 4.34Å; M592-W595 HydrophobicContact CE-CE3 3.92Å; M592-W595 HydrophobicContact CE-CZ3 4.48Å; M592-W595 PolarHBondContact O-N 3.42Å; M592-Y596 HydrophobicContact CB-CD2 4.45Å; M592-Y596 HydrophobicContact CE-CE2 4.13Å; M592-Y596 VanDerWaalsContact O-CD2 3.22Å; M592-Y596 WeakPolarHBondContact O-CD2 3.19Å; M592-Y596 PolarHBondContact O-N 3.21Å
593	R	94.8	Very high	94.3	Very high	95 Å²	95	58 Å²	58	36%	0.358	32%	0.321	S	S	.	.	H	α-helix	trans	-59	-51.3	177.8	-179	170.1	-71	163.3	-5.9	111.8	Y587 P588 E589 N590 A591 W595 Y596 Q597	Y587-R593 PolarHBondContact O-NH2 3.12Å; P588-R593 WeakPolarHBondContact O-CB 3.39Å; P588-R593 PolarHBondContact O-NE 3.07Å; E589-R593 IonicContact OE1-NH2 3.61Å; N590-R593 WeakPolarHBondContact O-CB 3.48Å; N590-R593 PolarHBondContact O-N 2.85Å; A591-R593 PolarHBondContact O-N 3.23Å; R593-W595 VanDerWaalsContact C-N 3.3Å; R593-Y596 PolarHBondContact O-N 3.35Å; R593-Q597 WeakPolarHBondContact O-CG 3.38Å; R593-Q597 PolarHBondContact O-N 3.37Å; R593-Q597 VanDerWaalsContact O-N 3.11Å
594	A	95.3	Very high	94.5	Very high	58 Å²	58	58.1 Å²	58.1	48%	0.479	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-42	178.7	0	0	0	0	0	110.3	A591 Y596 Q597 E598	A591-A594 PolarHBondContact O-N 3.22Å; A594-Y596 PolarHBondContact O-N 2.73Å; A594-Q597 WeakPolarHBondContact O-CB 3.44Å; A594-Q597 PolarHBondContact O-N 3Å; A594-E598 WeakPolarHBondContact O-CB 3.36Å; A594-E598 PolarHBondContact O-N 2.73Å
595	W	96.3	Very high	94.6	Very high	39 Å²	39	54.4 Å²	54.4	15%	0.148	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-44.9	175.7	-178	89.8	0	0	0	112.7	D519 A520 H523 A591 M592 R593 Q597 E598 R599	D519-W595 HydrophobicContact CB-CH2 3.63Å; D519-W595 HydrophobicContact CB-CZ2 3.82Å; A520-W595 VanDerWaalsContact CA-CZ3 3.48Å; A520-W595 HydrophobicContact CB-CE3 4.2Å; A520-W595 HydrophobicContact CB-CH2 3.78Å; A520-W595 HydrophobicContact CB-CZ3 3.41Å; A520-W595 VanDerWaalsContact CB-CZ3 3.41Å; H523-W595 HydrophobicContact CB-CD2 4.44Å; H523-W595 HydrophobicContact CB-CZ2 4.17Å; H523-W595 AromaticContact CD2-CD1 3.26Å; H523-W595 AromaticContact CD2-CD2 3.99Å; H523-W595 AromaticContact CD2-CG 3.5Å; H523-W595 VanDerWaalsContact CD2-CG 3.5Å; H523-W595 AromaticContact CD2-NE1 3.59Å; H523-W595 AromaticContact CE1-CD1 3.58Å; H523-W595 AromaticContact CE1-NE1 3.91Å; H523-W595 AromaticContact CG-CD1 3.55Å; H523-W595 AromaticContact CG-CE2 3.87Å; H523-W595 AromaticContact CG-NE1 3.37Å; H523-W595 AromaticContact ND1-CD1 3.74Å; H523-W595 AromaticContact ND1-NE1 3.6Å; H523-W595 AromaticContact NE2-CD1 3.3Å; H523-W595 VanDerWaalsContact NE2-CD1 3.3Å; H523-W595 AromaticContact NE2-CG 3.8Å; H523-W595 AromaticContact NE2-NE1 3.94Å; A591-W595 PolarHBondContact O-N 3.02Å; A591-W595 VanDerWaalsContact O-N 3.15Å; M592-W595 HydrophobicContact CE-CD2 4.34Å; M592-W595 HydrophobicContact CE-CE3 3.92Å; M592-W595 HydrophobicContact CE-CZ3 4.48Å; M592-W595 PolarHBondContact O-N 3.42Å; R593-W595 VanDerWaalsContact C-N 3.3Å; W595-Q597 VanDerWaalsContact C-N 3.34Å; W595-Q597 PolarHBondContact O-N 3.16Å; W595-E598 PolarHBondContact O-N 3.3Å; W595-R599 HydrophobicContact CD2-CB 4.43Å; W595-R599 HydrophobicContact CE3-CB 4.35Å; W595-R599 HydrophobicContact CH2-CB 4.08Å; W595-R599 HydrophobicContact CH2-CG 3.71Å; W595-R599 HydrophobicContact CZ2-CB 4.21Å; W595-R599 HydrophobicContact CZ2-CG 4Å; W595-R599 HydrophobicContact CZ3-CB 4.14Å; W595-R599 HydrophobicContact CZ3-CG 4.15Å; W595-R599 WeakPolarHBondContact O-CB 3.34Å; W595-R599 PolarHBondContact O-N 3.37Å
596	Y	96.1	Very high	94.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-62.6	-41.3	176.8	-89.9	-76.4	0	0	0	111.7	V516 A520 P579 P581 Y587 M592 R593 A594 L600	V516-Y596 HydrophobicContact CG1-CD1 4.09Å; V516-Y596 HydrophobicContact CG1-CE1 4.02Å; A520-Y596 HydrophobicContact CB-CE1 3.98Å; A520-Y596 HydrophobicContact CB-CE2 4.07Å; A520-Y596 VanDerWaalsContact CB-OH 3.28Å; A520-Y596 WeakPolarHBondContact CB-OH 3.29Å; P579-Y596 WeakPolarHBondContact CD-OH 3.49Å; P579-Y596 HydrophobicContact CG-CE2 4.04Å; P579-Y596 PolarHBondContact O-OH 3.44Å; P581-Y596 HydrophobicContact CG-CD1 4.41Å; P581-Y596 HydrophobicContact CG-CE1 4.2Å; Y587-Y596 HydrophobicContact CD1-CD1 4.06Å; Y587-Y596 AromaticContact CD1-CD2 3.61Å; Y587-Y596 HydrophobicContact CD1-CD2 3.61Å; Y587-Y596 HydrophobicContact CD1-CE1 4.49Å; Y587-Y596 HydrophobicContact CD1-CE2 4.13Å; Y587-Y596 AromaticContact CD1-CG 3.58Å; Y587-Y596 HydrophobicContact CD1-CG 3.58Å; Y587-Y596 AromaticContact CE1-CD1 3.57Å; Y587-Y596 HydrophobicContact CE1-CD1 3.57Å; Y587-Y596 HydrophobicContact CE1-CD2 4.02Å; Y587-Y596 HydrophobicContact CE1-CE1 4.04Å; Y587-Y596 HydrophobicContact CE1-CE2 4.48Å; Y587-Y596 AromaticContact CE1-CG 3.54Å; Y587-Y596 HydrophobicContact CE1-CG 3.54Å; M592-Y596 HydrophobicContact CB-CD2 4.45Å; M592-Y596 HydrophobicContact CE-CE2 4.13Å; M592-Y596 VanDerWaalsContact O-CD2 3.22Å; M592-Y596 WeakPolarHBondContact O-CD2 3.19Å; M592-Y596 PolarHBondContact O-N 3.21Å; R593-Y596 PolarHBondContact O-N 3.35Å; A594-Y596 PolarHBondContact O-N 2.73Å; Y596-L600 WeakPolarHBondContact O-CB 3.48Å; Y596-L600 VanDerWaalsContact O-CG 3.25Å; Y596-L600 WeakPolarHBondContact O-CG 3.37Å; Y596-L600 PolarHBondContact O-N 3.06Å
597	Q	94.8	Very high	94.2	Very high	125 Å²	125	59.7 Å²	59.7	58%	0.584	35%	0.346	S	S	*	.	H	α-helix	trans	-62.2	-48.6	177.3	-71.3	172.1	-20.1	0	0	111.2	R593 A594 W595 A601	R593-Q597 WeakPolarHBondContact O-CG 3.38Å; R593-Q597 PolarHBondContact O-N 3.37Å; R593-Q597 VanDerWaalsContact O-N 3.11Å; A594-Q597 WeakPolarHBondContact O-CB 3.44Å; A594-Q597 PolarHBondContact O-N 3Å; W595-Q597 VanDerWaalsContact C-N 3.34Å; W595-Q597 PolarHBondContact O-N 3.16Å; Q597-A601 WeakPolarHBondContact O-CB 3.28Å; Q597-A601 PolarHBondContact O-N 3.38Å
598	E	96.2	Very high	94	Very high	145 Å²	145	58.6 Å²	58.6	68%	0.678	35%	0.346	S	S	*	.	H	α-helix	trans	-64.5	-45	178.2	-175.1	178.1	-171.6	0	0	111.9	A594 W595 L600 A601 G602	A594-E598 WeakPolarHBondContact O-CB 3.36Å; A594-E598 PolarHBondContact O-N 2.73Å; W595-E598 PolarHBondContact O-N 3.3Å; E598-L600 VanDerWaalsContact C-N 3.35Å; E598-L600 PolarHBondContact O-N 2.75Å; E598-A601 PolarHBondContact O-N 3.4Å; E598-G602 PolarHBondContact O-N 2.73Å
599	R	95.4	Very high	93.8	Very high	51 Å²	51	68.2 Å²	68.2	19%	0.192	38%	0.383	C	S	.	.	H	α-helix	trans	-61.1	-41.5	179.8	179.2	66.3	-171.7	87.1	-4.7	112.4	V516 D519 W595 D603	V516-R599 HydrophobicContact CG1-CG 4.24Å; D519-R599 IonicContact OD2-CZ 3.62Å; D519-R599 IonicContact OD2-NE 3.29Å; D519-R599 PolarHBondContact OD2-NE 2.96Å; D519-R599 IonicContact OD2-NH2 3.39Å; D519-R599 PolarHBondContact OD2-NH2 2.68Å; W595-R599 HydrophobicContact CD2-CB 4.43Å; W595-R599 HydrophobicContact CE3-CB 4.35Å; W595-R599 HydrophobicContact CH2-CB 4.08Å; W595-R599 HydrophobicContact CH2-CG 3.71Å; W595-R599 HydrophobicContact CZ2-CB 4.21Å; W595-R599 HydrophobicContact CZ2-CG 4Å; W595-R599 HydrophobicContact CZ3-CB 4.14Å; W595-R599 HydrophobicContact CZ3-CG 4.15Å; W595-R599 WeakPolarHBondContact O-CB 3.34Å; W595-R599 PolarHBondContact O-N 3.37Å; R599-D603 IonicContact CZ-OD2 3.37Å; R599-D603 IonicContact NH1-OD1 2.91Å; R599-D603 PolarHBondContact NH1-OD1 2.93Å; R599-D603 IonicContact NH1-OD2 3.42Å; R599-D603 PolarHBondContact NH1-OD2 3.07Å; R599-D603 IonicContact NH2-OD2 2.98Å
600	L	95.7	Very high	93.8	Very high	13 Å²	13	63 Å²	63	7%	0.068	36%	0.358	C	S	.	.	H	α-helix	trans	-73	-38.9	175.6	-69.7	172.8	0	0	0	111.4	Y512 V516 P581 Y596 E598 D603 G604 L605 F610	Y512-L600 HydrophobicContact CE1-CD2 4.16Å; V516-L600 HydrophobicContact CG2-CD2 4.43Å; P581-L600 HydrophobicContact CB-CD2 4.43Å; P581-L600 HydrophobicContact CG-CD2 4.44Å; Y596-L600 WeakPolarHBondContact O-CB 3.48Å; Y596-L600 VanDerWaalsContact O-CG 3.25Å; Y596-L600 WeakPolarHBondContact O-CG 3.37Å; Y596-L600 PolarHBondContact O-N 3.06Å; E598-L600 VanDerWaalsContact C-N 3.35Å; E598-L600 PolarHBondContact O-N 2.75Å; L600-D603 CarbonylContact O-C 3.55Å; L600-D603 PolarHBondContact O-N 3.26Å; L600-G604 PolarHBondContact O-N 3.15Å; L600-L605 HydrophobicContact CB-CB 4.36Å; L600-L605 HydrophobicContact CD2-CB 4.48Å; L600-L605 HydrophobicContact CD2-CD1 4.41Å; L600-L605 WeakPolarHBondContact O-CA 3.47Å; L600-L605 PolarHBondContact O-N 3.17Å; L600-F610 HydrophobicContact CD1-CE2 4.39Å; L600-F610 HydrophobicContact CD1-CZ 3.99Å; L600-F610 HydrophobicContact CD2-CZ 4.02Å
601	A	95.6	Very high	93.8	Very high	46 Å²	46	68.5 Å²	68.5	38%	0.38	38%	0.377	S	S	.	.	H	α-helix	trans	-63.4	-41	176.2	0	0	0	0	0	112.4	Q597 E598 D603 G604 A606	Q597-A601 WeakPolarHBondContact O-CB 3.28Å; Q597-A601 PolarHBondContact O-N 3.38Å; E598-A601 PolarHBondContact O-N 3.4Å; A601-D603 PolarHBondContact O-N 2.8Å; A601-G604 WeakPolarHBondContact O-CA 3.28Å; A601-G604 PolarHBondContact O-N 3.36Å; A601-A606 HydrophobicContact CB-CB 3.94Å
602	G	94.9	Very high	93.8	Very high	70 Å²	70	65.4 Å²	65.4	72%	0.722	35%	0.351	S	S	*	.	H	α-helix	trans	-60.9	-28.7	174.8	0	0	0	0	0	113.2	E598 G604	E598-G602 PolarHBondContact O-N 2.73Å; G602-G604 VanDerWaalsContact C-N 3.33Å
603	D	94.2	Very high	93.6	Very high	28 Å²	28	69.8 Å²	69.8	15%	0.15	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.5	172.3	-82.7	-8.3	0	0	0	113.1	L425 K429 Y512 R515 R599 L600 A601	L425-D603 HydrophobicContact CD1-CB 4.04Å; L425-D603 HydrophobicContact CD2-CB 4.41Å; K429-D603 WeakPolarHBondContact CE-O 3.29Å; K429-D603 PolarHBondContact NZ-O 3.12Å; Y512-D603 WeakPolarHBondContact CE2-OD2 3.32Å; Y512-D603 VanDerWaalsContact CZ-OD2 3.28Å; Y512-D603 VanDerWaalsContact OH-CB 3.31Å; Y512-D603 WeakPolarHBondContact OH-CB 3.37Å; Y512-D603 PolarHBondContact OH-OD2 2.89Å; R515-D603 IonicContact NH2-OD1 3.97Å; R515-D603 IonicContact NH2-OD2 3.72Å; R515-D603 PolarHBondContact NH2-OD2 3.31Å; R599-D603 IonicContact CZ-OD2 3.37Å; R599-D603 IonicContact NH1-OD1 2.91Å; R599-D603 PolarHBondContact NH1-OD1 2.93Å; R599-D603 IonicContact NH1-OD2 3.42Å; R599-D603 PolarHBondContact NH1-OD2 3.07Å; R599-D603 IonicContact NH2-OD2 2.98Å; L600-D603 CarbonylContact O-C 3.55Å; L600-D603 PolarHBondContact O-N 3.26Å; A601-D603 PolarHBondContact O-N 2.8Å
604	G	94	Very high	93.4	Very high	52 Å²	52	67 Å²	67	54%	0.536	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	24.4	-177.9	0	0	0	0	0	114.3	L600 A601 G602	L600-G604 PolarHBondContact O-N 3.15Å; A601-G604 WeakPolarHBondContact O-CA 3.28Å; A601-G604 PolarHBondContact O-N 3.36Å; G602-G604 VanDerWaalsContact C-N 3.33Å
605	L	94.4	Very high	93.2	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.026	36%	0.355	C	S	.	.			trans	-110.5	18.8	179.8	-63.1	-175.8	0	0	0	113.3	L425 L428 K429 Y512 L600 E607 S608	L425-L605 HydrophobicContact CD1-CD1 3.74Å; L425-L605 HydrophobicContact CD1-CD2 4.21Å; L425-L605 HydrophobicContact CD1-CG 3.89Å; L428-L605 HydrophobicContact CB-CD1 4.26Å; L428-L605 HydrophobicContact CB-CD2 3.9Å; L428-L605 HydrophobicContact CD1-CD1 4.08Å; K429-L605 HydrophobicContact CG-CD2 3.92Å; Y512-L605 HydrophobicContact CD1-CD1 4.18Å; Y512-L605 HydrophobicContact CE1-CD1 3.33Å; Y512-L605 HydrophobicContact CE2-CD1 4.41Å; Y512-L605 VanDerWaalsContact CZ-CD1 3.48Å; Y512-L605 WeakPolarHBondContact OH-CD1 3.45Å; L600-L605 HydrophobicContact CB-CB 4.36Å; L600-L605 HydrophobicContact CD2-CB 4.48Å; L600-L605 HydrophobicContact CD2-CD1 4.41Å; L600-L605 WeakPolarHBondContact O-CA 3.47Å; L600-L605 PolarHBondContact O-N 3.17Å; L605-E607 VanDerWaalsContact C-N 3.25Å; L605-E607 PolarHBondContact O-N 3.38Å; L605-S608 VanDerWaalsContact O-CB 3.26Å; L605-S608 WeakPolarHBondContact O-CB 3.43Å; L605-S608 PolarHBondContact O-N 2.82Å
606	A	90.3	Very high	93	Very high	78 Å²	78	70.9 Å²	70.9	65%	0.645	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-40.1	-180	0	0	0	0	0	113.1	A601	A601-A606 HydrophobicContact CB-CB 3.94Å
607	E	86	Confident	92.9	Very high	183 Å²	183	71 Å²	71	86%	0.855	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	8.3	178.7	-58.3	-170.3	161.3	0	0	113.1	L605 R609	L605-E607 VanDerWaalsContact C-N 3.25Å; L605-E607 PolarHBondContact O-N 3.38Å; E607-R609 PolarHBondContact O-N 2.79Å
608	S	88.9	Confident	92.8	Very high	29 Å²	29	68.8 Å²	68.8	20%	0.203	38%	0.377	C	S	.	.			trans	-65.1	127	-175.8	-171.2	0	0	0	0	111	L605 F610	L605-S608 VanDerWaalsContact O-CB 3.26Å; L605-S608 WeakPolarHBondContact O-CB 3.43Å; L605-S608 PolarHBondContact O-N 2.82Å; S608-F610 PolarHBondContact O-N 2.76Å; S608-F610 PolarHBondContact OG-N 3.43Å
609	R	90.2	Very high	92.7	Very high	201 Å²	201	61.9 Å²	61.9	76%	0.758	35%	0.345	S	S	*	.			trans	-86.6	5.8	174.7	-62.1	-175.9	178.1	-175.4	-1.2	112.9	N583 E607 R611	N583-R609 WeakPolarHBondContact CB-O 3.37Å; N583-R609 PolarHBondContact ND2-O 3.45Å; E607-R609 PolarHBondContact O-N 2.79Å; R609-R611 PolarHBondContact O-N 3.46Å; R609-R611 VanDerWaalsContact O-N 3.12Å
610	F	93.9	Very high	92.5	Very high	10 Å²	10	62.1 Å²	62.1	4%	0.044	35%	0.353	C	S	.	.	S	Bend	trans	49.8	39.1	-174	-67.7	-86.8	0	0	0	112	L428 P581 N583 L600 S608 L619	L428-F610 HydrophobicContact CD2-CD1 4.3Å; P581-F610 HydrophobicContact CB-CD1 4.49Å; P581-F610 HydrophobicContact CB-CE1 3.53Å; P581-F610 HydrophobicContact CB-CE2 4.34Å; P581-F610 HydrophobicContact CB-CZ 3.44Å; P581-F610 VanDerWaalsContact CB-CZ 3.44Å; N583-F610 HydrophobicContact CB-CB 4.37Å; L600-F610 HydrophobicContact CD1-CE2 4.39Å; L600-F610 HydrophobicContact CD1-CZ 3.99Å; L600-F610 HydrophobicContact CD2-CZ 4.02Å; S608-F610 PolarHBondContact O-N 2.76Å; S608-F610 PolarHBondContact OG-N 3.43Å; F610-L619 HydrophobicContact CB-CB 4.07Å; F610-L619 WeakPolarHBondContact O-CB 3.43Å; F610-L619 PolarHBondContact O-N 3.44Å
611	R	94	Very high	92.3	Very high	143 Å²	143	62.6 Å²	62.6	54%	0.54	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.2	175.3	-71.5	-179.5	-176.4	175	4.9	107.7	N583 R609 L617 N618	N583-R611 PolarHBondContact ND2-NE 3.37Å; R609-R611 PolarHBondContact O-N 3.46Å; R609-R611 VanDerWaalsContact O-N 3.12Å; R611-L617 WeakPolarHBondContact CA-O 3.41Å; R611-N618 WeakPolarHBondContact CG-OD1 3.31Å; R611-N618 PolarHBondContact NE-OD1 2.94Å
612	V	93.1	Very high	92.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	94	174.8	-174.1	0	0	0	0	106.4	L427 L428 E430 M432 S614 L615 K616 L617	L427-V612 WeakPolarHBondContact O-CG2 3.15Å; L428-V612 HydrophobicContact CD2-CG2 4.33Å; E430-V612 HydrophobicContact CG-CG1 4.39Å; M432-V612 HydrophobicContact CE-CG1 3.71Å; V612-S614 PolarHBondContact O-N 3.04Å; V612-L615 HydrophobicContact CB-CB 4.45Å; V612-L615 HydrophobicContact CG1-CB 3.98Å; V612-L615 HydrophobicContact CG1-CD1 4.13Å; V612-L615 HydrophobicContact CG1-CG 3.95Å; V612-L615 CarbonylContact O-C 3.59Å; V612-L615 PolarHBondContact O-N 2.96Å; V612-L615 VanDerWaalsContact O-N 3.16Å; V612-K616 PolarHBondContact O-N 2.8Å; V612-L617 HydrophobicContact CB-CB 4.15Å; V612-L617 HydrophobicContact CB-CD1 4.43Å; V612-L617 PolarHBondContact N-O 2.87Å; V612-L617 PolarHBondContact O-N 2.88Å
613	S	90.8	Very high	92	Very high	92 Å²	92	61.7 Å²	61.7	64%	0.643	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-66	-42.1	-166.4	-58.7	0	0	0	0	111.7	L615 K616	S613-L615 PolarHBondContact O-N 3.47Å; S613-K616 PolarHBondContact O-N 2.9Å
614	S	91.1	Very high	92	Very high	38 Å²	38	60.9 Å²	60.9	27%	0.266	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-54.4	-32.4	174.5	47.9	0	0	0	0	113.3	M432 V612	M432-S614 WeakPolarHBondContact CE-OG 3.32Å; V612-S614 PolarHBondContact O-N 3.04Å
615	L	92.6	Very high	92.1	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-104	3.1	178.5	-58.4	-173.7	0	0	0	113.7	L427 M432 V494 W497 L498 R505 V612 S613 L617	L427-L615 HydrophobicContact CD2-CD1 3.64Å; M432-L615 HydrophobicContact CE-CD1 4.13Å; M432-L615 HydrophobicContact CE-CG 4.05Å; M432-L615 HydrophobicContact SD-CD1 4.13Å; M432-L615 HydrophobicContact SD-CD2 4.34Å; M432-L615 HydrophobicContact SD-CG 4.22Å; V494-L615 HydrophobicContact CG1-CD2 4.25Å; W497-L615 HydrophobicContact CB-CD1 3.97Å; W497-L615 HydrophobicContact CB-CD2 3.51Å; W497-L615 HydrophobicContact CB-CG 4.42Å; W497-L615 HydrophobicContact CG-CD1 4.16Å; W497-L615 HydrophobicContact CG-CD2 4.4Å; L498-L615 HydrophobicContact CD2-CD2 4.2Å; L498-L615 HydrophobicContact CG-CD2 4.11Å; R505-L615 PolarHBondContact NH1-O 3.2Å; V612-L615 HydrophobicContact CB-CB 4.45Å; V612-L615 HydrophobicContact CG1-CB 3.98Å; V612-L615 HydrophobicContact CG1-CD1 4.13Å; V612-L615 HydrophobicContact CG1-CG 3.95Å; V612-L615 CarbonylContact O-C 3.59Å; V612-L615 PolarHBondContact O-N 2.96Å; V612-L615 VanDerWaalsContact O-N 3.16Å; S613-L615 PolarHBondContact O-N 3.47Å; L615-L617 HydrophobicContact CB-CD1 3.87Å; L615-L617 HydrophobicContact CB-CG 3.73Å; L615-L617 HydrophobicContact CD1-CD1 4.12Å; L615-L617 PolarHBondContact O-N 2.84Å
616	K	91.6	Very high	92.1	Very high	177 Å²	177	60.4 Å²	60.4	77%	0.77	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	35.2	-176	-52.5	178.2	-178.8	178.5	0	112.7	V612 S613	V612-K616 PolarHBondContact O-N 2.8Å; S613-K616 PolarHBondContact O-N 2.9Å
617	L	93	Very high	92.3	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133	179.1	-55	177	0	0	0	109.8	R505 V506 P509 R611 V612 L615 L619	R505-L617 HydrophobicContact CB-CD1 4.2Å; R505-L617 HydrophobicContact CB-CD2 4.05Å; V506-L617 HydrophobicContact CB-CD2 4.3Å; P509-L617 HydrophobicContact CG-CD1 4.28Å; R611-L617 WeakPolarHBondContact CA-O 3.41Å; V612-L617 HydrophobicContact CB-CB 4.15Å; V612-L617 HydrophobicContact CB-CD1 4.43Å; V612-L617 PolarHBondContact N-O 2.87Å; V612-L617 PolarHBondContact O-N 2.88Å; L615-L617 HydrophobicContact CB-CD1 3.87Å; L615-L617 HydrophobicContact CB-CG 3.73Å; L615-L617 HydrophobicContact CD1-CD1 4.12Å; L615-L617 PolarHBondContact O-N 2.84Å; L617-L619 HydrophobicContact CB-CD1 4.39Å
618	N	92.9	Very high	92.7	Very high	79 Å²	79	49 Å²	49	42%	0.422	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.6	174.1	-179.9	53	0	0	0	108.9	N583 R611 P620	N583-N618 PolarHBondContact ND2-OD1 3.15Å; R611-N618 WeakPolarHBondContact CG-OD1 3.31Å; R611-N618 PolarHBondContact NE-OD1 2.94Å; N618-P620 VanDerWaalsContact O-CD 3.27Å; N618-P620 WeakPolarHBondContact O-CD 3.37Å
619	L	93.7	Very high	92.9	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.256	C	S	.	.			trans	-108	96	178.4	-75.3	87.5	0	0	0	109.5	L428 P509 H510 G582 N583 F610 L617 G621	L428-L619 HydrophobicContact CD2-CD1 4.46Å; P509-L619 HydrophobicContact CB-CD1 3.86Å; P509-L619 HydrophobicContact CB-CD2 3.47Å; P509-L619 VanDerWaalsContact CB-CD2 3.47Å; P509-L619 HydrophobicContact CB-CG 4.27Å; P509-L619 HydrophobicContact CG-CD1 4.47Å; H510-L619 VanDerWaalsContact CD2-CD2 3.5Å; H510-L619 WeakPolarHBondContact CD2-CD2 3.42Å; G582-L619 WeakPolarHBondContact CA-O 3.44Å; N583-L619 PolarHBondContact N-O 3.41Å; F610-L619 HydrophobicContact CB-CB 4.07Å; F610-L619 WeakPolarHBondContact O-CB 3.43Å; F610-L619 PolarHBondContact O-N 3.44Å; L617-L619 HydrophobicContact CB-CD1 4.39Å; L619-G621 PolarHBondContact O-N 2.75Å
620	P	91.6	Very high	93.1	Very high	55 Å²	55	40.6 Å²	40.6	36%	0.357	22%	0.222	S	C	.	.			trans	-66.1	-24.5	176.2	26.7	-33.6	0	0	0	112.8	G582 N583 S584 N618	G582-P620 CarbonylContact C-O 3.57Å; N583-P620 PolarHBondContact N-O 2.84Å; N583-P620 WeakPolarHBondContact OD1-CA 2.87Å; S584-P620 WeakPolarHBondContact CA-O 3.5Å; S584-P620 WeakPolarHBondContact CB-O 3.22Å; S584-P620 PolarHBondContact N-O 3.47Å; N618-P620 VanDerWaalsContact O-CD 3.27Å; N618-P620 WeakPolarHBondContact O-CD 3.37Å
621	G	91.5	Very high	93.1	Very high	23 Å²	23	44.1 Å²	44.1	24%	0.237	24%	0.238	C	C	.	.			trans	77.2	174.6	-167	0	0	0	0	0	111.1	L619	L619-G621 PolarHBondContact O-N 2.75Å
622	C	91.8	Very high	93	Very high	53 Å²	53	43 Å²	43	36%	0.358	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	179.1	176.1	70.8	0	0	0	0	109.8	M580	M580-C622 WeakPolarHBondContact CE-SG 3.47Å; M580-C622 PolarHBondContact N-O 3.23Å
623	Y	93.6	Very high	93.1	Very high	45 Å²	45	43.4 Å²	43.4	18%	0.176	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.4	178.4	-55.7	-91.5	0	0	0	109.1	L537 W539 I558 P579 V585 K586	L537-Y623 HydrophobicContact CD1-CD1 4.17Å; L537-Y623 HydrophobicContact CD1-CE1 3.95Å; W539-Y623 HydrophobicContact CH2-CD2 4.48Å; I558-Y623 HydrophobicContact CD1-CD1 3.59Å; I558-Y623 HydrophobicContact CD1-CD2 3.19Å; I558-Y623 HydrophobicContact CD1-CE1 3.37Å; I558-Y623 HydrophobicContact CD1-CE2 2.97Å; I558-Y623 HydrophobicContact CD1-CG 3.46Å; I558-Y623 VanDerWaalsContact CD1-CG 3.46Å; I558-Y623 WeakPolarHBondContact CD1-OH 3.48Å; I558-Y623 HydrophobicContact CG1-CD2 4.5Å; I558-Y623 HydrophobicContact CG1-CE2 4.45Å; P579-Y623 HydrophobicContact CB-CD1 4.15Å; P579-Y623 HydrophobicContact CB-CE1 4.14Å; V585-Y623 WeakPolarHBondContact CA-OH 3.31Å; V585-Y623 HydrophobicContact CB-CE1 4.28Å; V585-Y623 HydrophobicContact CG1-CE1 4.49Å; V585-Y623 HydrophobicContact CG1-CE2 4.16Å; K586-Y623 PolarHBondContact N-OH 2.94Å
624	R	93.9	Very high	93.2	Very high	10 Å²	10	41.7 Å²	41.7	4%	0.038	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	133.1	-177.5	176.7	178.2	-176.2	83.7	-6.1	109.5	N405 W517 L577 L578 L626 S667	N405-R624 VanDerWaalsContact CG-NH2 3.26Å; N405-R624 VanDerWaalsContact O-CZ 3.3Å; N405-R624 PolarHBondContact O-NE 3.48Å; N405-R624 PolarHBondContact O-NH2 3.47Å; N405-R624 PolarHBondContact OD1-NH2 2.77Å; W517-R624 HydrophobicContact CH2-CG 4.25Å; W517-R624 HydrophobicContact CZ2-CB 4Å; W517-R624 HydrophobicContact CZ2-CG 3.6Å; L577-R624 WeakPolarHBondContact CA-O 3.25Å; L578-R624 PolarHBondContact N-O 3.42Å; L578-R624 PolarHBondContact O-N 2.89Å; R624-L626 PolarHBondContact O-N 3.46Å; R624-S667 VanDerWaalsContact CZ-O 3.23Å; R624-S667 PolarHBondContact NH1-O 3.4Å; R624-S667 PolarHBondContact NH2-O 2.73Å
625	P	94.8	Very high	93.4	Very high	48 Å²	48	43.4 Å²	43.4	31%	0.312	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	135.2	173	-24.7	34.6	0	0	0	111.7	N405 W517 L577 L627	N405-P625 VanDerWaalsContact CB-O 3.31Å; N405-P625 WeakPolarHBondContact CB-O 3.39Å; N405-P625 PolarHBondContact ND2-O 2.87Å; W517-P625 WeakPolarHBondContact CZ2-O 3.29Å; L577-P625 HydrophobicContact CD2-CB 4.28Å; L577-P625 HydrophobicContact CD2-CG 4.01Å; P625-L627 VanDerWaalsContact C-N 3.33Å; P625-L627 WeakPolarHBondContact CB-O 3.39Å
626	L	95	Very high	93.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-63.7	-42.2	177.7	176.6	58.1	0	0	0	111.1	V404 N405 A521 R524 L525 L573 V576 L578 R624	V404-L626 HydrophobicContact CG1-CD1 4.34Å; N405-L626 PolarHBondContact N-O 3.35Å; A521-L626 HydrophobicContact CB-CD1 3.64Å; R524-L626 HydrophobicContact CG-CD2 4.4Å; L525-L626 HydrophobicContact CD1-CD1 4.18Å; L525-L626 HydrophobicContact CD2-CD2 3.94Å; L525-L626 HydrophobicContact CD2-CG 4.48Å; L525-L626 HydrophobicContact CG-CD1 4.27Å; L525-L626 HydrophobicContact CG-CD2 4.33Å; L573-L626 HydrophobicContact CD1-CD2 3.86Å; L573-L626 HydrophobicContact CG-CD2 4.43Å; V576-L626 HydrophobicContact CB-CB 4.46Å; V576-L626 HydrophobicContact CB-CD2 4.49Å; V576-L626 HydrophobicContact CG1-CB 4.43Å; V576-L626 HydrophobicContact CG1-CD2 4.19Å; V576-L626 WeakPolarHBondContact O-CB 3.46Å; V576-L626 PolarHBondContact O-N 3.46Å; L578-L626 HydrophobicContact CD1-CD1 3.85Å; R624-L626 PolarHBondContact O-N 3.46Å
627	L	94.6	Very high	93.4	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.052	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	153.5	178	-55.4	-173.3	0	0	0	111.4	I23 F403 V404 L573 E574 P625	I23-L627 HydrophobicContact CD1-CD2 3.56Å; I23-L627 HydrophobicContact CG1-CD2 3.94Å; F403-L627 WeakPolarHBondContact O-CA 3.33Å; V404-L627 HydrophobicContact CG2-CD2 4.46Å; L573-L627 HydrophobicContact CB-CD1 4.18Å; L573-L627 HydrophobicContact CD2-CD1 3.7Å; L573-L627 HydrophobicContact CD2-CG 4.35Å; L573-L627 HydrophobicContact CG-CD1 3.77Å; L573-L627 HydrophobicContact CG-CG 4.25Å; E574-L627 HydrophobicContact CG-CD1 4.35Å; P625-L627 VanDerWaalsContact C-N 3.33Å; P625-L627 WeakPolarHBondContact CB-O 3.39Å
628	A	94.3	Very high	93.1	Very high	10 Å²	10	45.9 Å²	45.9	8%	0.083	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.8	166.9	0	0	0	0	0	108.9	G402 F403 N405	G402-A628 CarbonylContact C-O 3.36Å; G402-A628 WeakPolarHBondContact CA-O 3.19Å; F403-A628 VanDerWaalsContact CD1-O 3.27Å; F403-A628 WeakPolarHBondContact CD1-O 3.34Å; F403-A628 HydrophobicContact CD2-CB 4.42Å; F403-A628 HydrophobicContact CE1-CB 3.9Å; F403-A628 HydrophobicContact CE2-CB 3.83Å; F403-A628 HydrophobicContact CZ-CB 3.53Å; F403-A628 PolarHBondContact N-O 3.05Å; F403-A628 PolarHBondContact O-N 2.99Å; N405-A628 HydrophobicContact CB-CB 3.99Å
629	V	93	Very high	92.6	Very high	48 Å²	48	49.1 Å²	49.1	29%	0.291	26%	0.256	S	S	.	.			trans	-118.2	125.7	-179.6	-177.2	0	0	0	0	108.3	E574	E574-V629 HydrophobicContact CG-CG2 4.48Å
630	P	94.5	Very high	91.8	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.045	26%	0.26	C	S	.	.			trans	-71.1	133.6	174.4	29	-32.1	0	0	0	110.6	V398 L633 F662 L664	V398-P630 HydrophobicContact CG1-CG 4Å; P630-L633 HydrophobicContact CB-CB 4.41Å; P630-L633 HydrophobicContact CB-CD2 4.48Å; P630-L633 HydrophobicContact CG-CB 4.47Å; P630-L633 HydrophobicContact CG-CD2 3.88Å; P630-F662 HydrophobicContact CB-CB 4.2Å; P630-F662 HydrophobicContact CB-CD2 4.26Å; P630-F662 HydrophobicContact CB-CG 4.44Å; P630-L664 HydrophobicContact CB-CD2 3.89Å
631	H	93.4	Very high	90.9	Very high	83 Å²	83	47.4 Å²	47.4	38%	0.384	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	153.3	173.8	-51.9	-67.3	0	0	0	110.6	L633 D663 D665	H631-L633 PolarHBondContact O-N 2.96Å; H631-D663 HydrophobicContact CB-CB 4.14Å; H631-D663 PolarHBondContact N-O 2.93Å; H631-D663 PolarHBondContact O-N 2.76Å; H631-D665 IonicContact NE2-OD1 3.84Å; H631-D665 IonicContact NE2-OD2 3.74Å
632	N	93	Very high	89.5	Confident	120 Å²	120	47.1 Å²	47.1	64%	0.642	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	52	32	176.4	-57.6	-39.1	0	0	0	114	S634 N661 D663	N632-S634 PolarHBondContact O-N 3.27Å; N632-N661 VanDerWaalsContact O-O 3.14Å; N632-D663 PolarHBondContact ND2-OD2 2.89Å
633	L	94.1	Very high	87.8	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.4	-179.1	179.6	60.3	0	0	0	110.9	V395 K399 P630 H631 L660 N661 F662	V395-L633 HydrophobicContact CG1-CD2 3.93Å; V395-L633 HydrophobicContact CG1-CG 4.07Å; K399-L633 HydrophobicContact CB-CD2 4.02Å; P630-L633 HydrophobicContact CB-CB 4.41Å; P630-L633 HydrophobicContact CB-CD2 4.48Å; P630-L633 HydrophobicContact CG-CB 4.47Å; P630-L633 HydrophobicContact CG-CD2 3.88Å; H631-L633 PolarHBondContact O-N 2.96Å; L633-L660 HydrophobicContact CD1-CD2 4.18Å; L633-N661 WeakPolarHBondContact CA-O 3.3Å; L633-F662 HydrophobicContact CB-CB 4.1Å; L633-F662 HydrophobicContact CD1-CB 3.67Å; L633-F662 HydrophobicContact CD1-CD1 3.68Å; L633-F662 HydrophobicContact CD1-CG 3.97Å; L633-F662 HydrophobicContact CG-CB 4.47Å
634	S	94.1	Very high	85.7	Confident	56 Å²	56	50.3 Å²	50.3	39%	0.392	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	152.2	174.7	61.5	0	0	0	0	109.8	N632 N661	N632-S634 PolarHBondContact O-N 3.27Å; S634-N661 PolarHBondContact N-O 3.15Å; S634-N661 PolarHBondContact O-N 3.13Å; S634-N661 PolarHBondContact OG-O 3.37Å
635	Y	94.6	Very high	83.5	Confident	75 Å²	75	51.7 Å²	51.7	29%	0.294	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	153.3	-179.3	80.5	-83	0	0	0	111.8	V391 K392 V395 L658 S659	V391-Y635 HydrophobicContact CG1-CD2 4.08Å; V391-Y635 HydrophobicContact CG1-CE2 4.12Å; K392-Y635 WeakPolarHBondContact CB-OH 3.29Å; K392-Y635 WeakPolarHBondContact CG-OH 3.16Å; V395-Y635 HydrophobicContact CB-CD1 4.14Å; V395-Y635 HydrophobicContact CB-CE1 4.42Å; V395-Y635 HydrophobicContact CG1-CD1 3.58Å; V395-Y635 HydrophobicContact CG1-CE1 4.17Å; V395-Y635 HydrophobicContact CG1-CG 4.14Å; V395-Y635 HydrophobicContact CG2-CD1 4.41Å; V395-Y635 HydrophobicContact CG2-CG 4.28Å; Y635-L658 HydrophobicContact CD2-CD1 3.84Å; Y635-L658 HydrophobicContact CG-CD1 4.34Å; Y635-S659 CarbonylContact C-O 3.54Å; Y635-S659 WeakPolarHBondContact CA-O 3.43Å
636	Q	93.3	Very high	81	Confident	130 Å²	130	54 Å²	54	61%	0.607	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.9	174.8	-173.2	176.9	10	0	0	110.4	S659	Q636-S659 PolarHBondContact N-O 3.42Å; Q636-S659 PolarHBondContact O-N 2.8Å
637	L	90.3	Very high	78.8	Confident	44 Å²	44	62.4 Å²	62.4	23%	0.23	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	134	170.4	-70.8	168.5	0	0	0	109.6	L368 A388 V391 L656 A657 L658	L368-L637 HydrophobicContact CD1-CD2 3.89Å; A388-L637 HydrophobicContact CB-CD1 3.58Å; V391-L637 HydrophobicContact CB-CD1 4.4Å; V391-L637 HydrophobicContact CG1-CD1 4.38Å; V391-L637 HydrophobicContact CG1-CD2 4.21Å; V391-L637 HydrophobicContact CG1-CG 4.45Å; V391-L637 HydrophobicContact CG2-CD2 4.33Å; L637-L656 HydrophobicContact CB-CD1 4.43Å; L637-L656 HydrophobicContact CD2-CD2 4.07Å; L637-L656 HydrophobicContact CD2-CG 4.2Å; L637-A657 WeakPolarHBondContact CA-O 3.29Å; L637-L658 HydrophobicContact CD2-CB 4.01Å; L637-L658 HydrophobicContact CD2-CD1 4.04Å; L637-L658 HydrophobicContact CG-CD1 4.48Å
638	H	87.9	Confident	76.7	Confident	58 Å²	58	69.2 Å²	69.2	27%	0.269	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	161.8	178.8	60.4	-70.3	0	0	0	109.7	A657 S659	H638-A657 PolarHBondContact N-O 2.66Å; H638-A657 PolarHBondContact ND1-O 2.82Å; H638-A657 PolarHBondContact O-N 3.22Å; H638-S659 PolarHBondContact CE1-OG 2.95Å
639	R	81.6	Confident	74.8	Confident	148 Å²	148	74.5 Å²	74.5	56%	0.558	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.2	170.1	-80.1	-167.6	152.1	99.4	12.7	109.9	D384 E654 S655	D384-R639 IonicContact OD2-CZ 3.58Å; D384-R639 IonicContact OD2-NH1 3.85Å; D384-R639 IonicContact OD2-NH2 2.7Å; D384-R639 PolarHBondContact OD2-NH2 3.39Å; R639-E654 HydrophobicContact CB-CB 4.41Å; R639-S655 WeakPolarHBondContact CA-O 3.17Å
640	A	76.4	Confident	72.9	Confident	12 Å²	12	82.4 Å²	82.4	10%	0.099	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	150.4	176.4	0	0	0	0	0	110.8	R366 C642 E654 S655 A657	R366-A640 VanDerWaalsContact NH1-CB 3.32Å; A640-C642 PolarHBondContact O-N 3.06Å; A640-E654 WeakPolarHBondContact O-CA 3.13Å; A640-S655 PolarHBondContact N-O 3.14Å; A640-S655 PolarHBondContact O-N 2.95Å; A640-A657 HydrophobicContact CB-CB 3.82Å
641	A	72.4	Confident	71	Confident	8 Å²	8	86.7 Å²	86.7	7%	0.066	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	131	176.1	0	0	0	0	0	112.2	R366 G643 K648 D652	R366-A641 PolarHBondContact NH1-O 2.94Å; A641-G643 PolarHBondContact O-N 2.96Å; A641-G643 VanDerWaalsContact O-N 3.15Å; A641-K648 HydrophobicContact CB-CG 4.34Å; A641-D652 HydrophobicContact CB-CB 4.02Å
642	C	62.6	Low	69.4	Low	16 Å²	16	84.1 Å²	84.1	11%	0.108	44%	0.435	C	S	.	.			trans	-67.3	100.9	170.2	-70.4	0	0	0	0	109	N367 A640 H644 D652 P653 S655	N367-C642 PolarHBondContact OD1-SG 3.48Å; N367-C642 VanDerWaalsContact OD1-SG 3.42Å; A640-C642 PolarHBondContact O-N 3.06Å; C642-H644 PolarHBondContact O-N 2.94Å; C642-D652 WeakPolarHBondContact O-CB 3.03Å; C642-P653 HydrophobicContact CB-CG 4.18Å; C642-P653 WeakPolarHBondContact CB-O 3.27Å; C642-P653 PolarHBondContact N-O 2.8Å; C642-P653 PolarHBondContact SG-O 3.35Å; C642-S655 WeakPolarHBondContact SG-CB 3.22Å; C642-S655 PolarHBondContact SG-OG 3.3Å
643	G	57.3	Low	68.1	Low	6 Å²	6	82.7 Å²	82.7	6%	0.062	43%	0.432	C	S	.	.			trans	-69.2	118.7	177	0	0	0	0	0	111.4	A641	A641-G643 PolarHBondContact O-N 2.96Å; A641-G643 VanDerWaalsContact O-N 3.15Å
644	H	48.1	Very low	67.2	Low	160 Å²	160	88.7 Å²	88.7	74%	0.741	46%	0.46	S	S	*	.			trans	-112.2	54.4	162.3	-72.6	8.7	0	0	0	109.8	C642	C642-H644 PolarHBondContact O-N 2.94Å
645	G	48	Very low	66.5	Low	39 Å²	39	87.2 Å²	87.2	40%	0.402	45%	0.45	S	S	.	.	S	Bend	trans	154.3	174	177.5	0	0	0	0	0	114.1	F36 K647	F36-G645 WeakPolarHBondContact CE1-O 3.46Å; G645-K647 PolarHBondContact O-N 3.49Å
646	A	43.6	Very low	66	Low	95 Å²	95	84.7 Å²	84.7	79%	0.785	44%	0.441	S	S	*	.	S	Bend	trans	-73.6	-2.3	-176.4	0	0	0	0	0	114.9
647	K	48.1	Very low	65.8	Low	178 Å²	178	78.5 Å²	78.5	77%	0.774	41%	0.412	S	S	*	.	S	Bend	trans	-134.6	140.1	177.2	-69.9	-173.8	178.1	-177.6	0	109.8	G645 Q649	G645-K647 PolarHBondContact O-N 3.49Å; K647-Q649 PolarHBondContact O-N 3.44Å
648	K	51.2	Low	65.9	Low	153 Å²	153	76.4 Å²	76.4	67%	0.665	40%	0.401	S	S	*	.			trans	-67.6	121.2	175.3	-155.3	177.4	-175.4	-174.4	0	108.9	F36 A641	F36-K648 HydrophobicContact CZ-CB 4.5Å; A641-K648 HydrophobicContact CB-CG 4.34Å
649	Q	54	Low	66.1	Low	120 Å²	120	74.7 Å²	74.7	56%	0.561	40%	0.396	S	S	*	.			trans	-99	141.7	170.2	-65.7	-175	11.2	0	0	108.9	K647 S651 D652	K647-Q649 PolarHBondContact O-N 3.44Å; Q649-S651 PolarHBondContact O-N 2.94Å; Q649-S651 VanDerWaalsContact O-N 3.15Å; Q649-D652 PolarHBondContact O-N 3.41Å
650	E	52.9	Low	66.7	Low	214 Å²	214	67.7 Å²	67.7	100%	1	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.9	179.9	-75.5	179.6	160.7	0	0	113.4
651	S	53.9	Low	67.6	Low	97 Å²	97	69.4 Å²	69.4	68%	0.678	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	1.3	179.7	56.5	0	0	0	0	115	Q649	Q649-S651 PolarHBondContact O-N 2.94Å; Q649-S651 VanDerWaalsContact O-N 3.15Å
652	D	59.4	Low	68.7	Low	29 Å²	29	69 Å²	69	16%	0.155	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-72.5	128.8	-177.8	-77.1	-18.8	0	0	0	110.5	A641 C642 Q649	A641-D652 HydrophobicContact CB-CB 4.02Å; C642-D652 WeakPolarHBondContact O-CB 3.03Å; Q649-D652 PolarHBondContact O-N 3.41Å
653	P	67.1	Low	70.3	Confident	91 Å²	91	68.9 Å²	68.9	59%	0.591	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-59.8	142.6	177.2	23.7	-31.6	0	0	0	110.5	C642	C642-P653 HydrophobicContact CB-CG 4.18Å; C642-P653 WeakPolarHBondContact CB-O 3.27Å; C642-P653 PolarHBondContact N-O 2.8Å; C642-P653 PolarHBondContact SG-O 3.35Å
654	E	74.2	Confident	72.1	Confident	133 Å²	133	68.8 Å²	68.8	62%	0.621	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.4	177.4	-64.7	-167.5	155.3	0	0	111.2	R639 A640	R639-E654 HydrophobicContact CB-CB 4.41Å; A640-E654 WeakPolarHBondContact O-CA 3.13Å
655	S	79.1	Confident	74.1	Confident	25 Å²	25	65.1 Å²	65.1	18%	0.175	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	168.1	171.2	64.4	0	0	0	0	111.4	N367 R639 A640 C642 A657	N367-S655 PolarHBondContact OD1-OG 2.96Å; R639-S655 WeakPolarHBondContact CA-O 3.17Å; A640-S655 PolarHBondContact N-O 3.14Å; A640-S655 PolarHBondContact O-N 2.95Å; C642-S655 WeakPolarHBondContact SG-CB 3.22Å; C642-S655 PolarHBondContact SG-OG 3.3Å; S655-A657 PolarHBondContact O-N 3.15Å
656	L	84.8	Confident	76.1	Confident	22 Å²	22	65.6 Å²	65.6	12%	0.115	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.5	173.1	-161.1	72.1	0	0	0	109.9	L368 L387 L637	L368-L656 WeakPolarHBondContact CB-O 3.4Å; L368-L656 HydrophobicContact CD1-CB 4.49Å; L368-L656 HydrophobicContact CD1-CD2 4.34Å; L368-L656 HydrophobicContact CD1-CG 4.25Å; L368-L656 VanDerWaalsContact CG-O 3.3Å; L368-L656 WeakPolarHBondContact CG-O 3.46Å; L368-L656 PolarHBondContact N-O 2.87Å; L387-L656 HydrophobicContact CB-CD2 4.37Å; L387-L656 HydrophobicContact CD2-CB 4.43Å; L387-L656 HydrophobicContact CD2-CD2 3.65Å; L387-L656 HydrophobicContact CG-CD2 3.96Å; L637-L656 HydrophobicContact CB-CD1 4.43Å; L637-L656 HydrophobicContact CD2-CD2 4.07Å; L637-L656 HydrophobicContact CD2-CG 4.2Å
657	A	88.9	Confident	78.1	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.9	176.8	0	0	0	0	0	110.6	V364 V365 L637 H638 A640 S655	V364-A657 HydrophobicContact CG1-CB 4.29Å; V365-A657 CarbonylContact O-C 3.59Å; V365-A657 WeakPolarHBondContact O-CA 3.31Å; L637-A657 WeakPolarHBondContact CA-O 3.29Å; H638-A657 PolarHBondContact N-O 2.66Å; H638-A657 PolarHBondContact ND1-O 2.82Å; H638-A657 PolarHBondContact O-N 3.22Å; A640-A657 HydrophobicContact CB-CB 3.82Å; S655-A657 PolarHBondContact O-N 3.15Å
658	L	91.4	Very high	80.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.6	-178.1	169.4	62.2	0	0	0	108.9	F29 V364 V365 L368 V391 Y635 L637 L660	F29-L658 HydrophobicContact CE2-CD2 3.9Å; F29-L658 HydrophobicContact CZ-CD2 3.49Å; F29-L658 VanDerWaalsContact CZ-CD2 3.49Å; V364-L658 WeakPolarHBondContact CA-O 3.37Å; V365-L658 HydrophobicContact CB-CB 4.3Å; V365-L658 PolarHBondContact N-O 3.03Å; V365-L658 PolarHBondContact O-N 3.44Å; L368-L658 HydrophobicContact CD1-CB 3.66Å; L368-L658 HydrophobicContact CD2-CB 4.21Å; L368-L658 HydrophobicContact CG-CB 4.46Å; V391-L658 HydrophobicContact CG1-CD1 3.71Å; V391-L658 HydrophobicContact CG1-CD2 3.8Å; V391-L658 HydrophobicContact CG1-CG 4.33Å; V391-L658 HydrophobicContact CG2-CD2 4.5Å; Y635-L658 HydrophobicContact CD2-CD1 3.84Å; Y635-L658 HydrophobicContact CG-CD1 4.34Å; L637-L658 HydrophobicContact CD2-CB 4.01Å; L637-L658 HydrophobicContact CD2-CD1 4.04Å; L637-L658 HydrophobicContact CG-CD1 4.48Å; L658-L660 HydrophobicContact CD1-CD2 4.21Å; L658-L660 HydrophobicContact CD1-CG 4.21Å; L658-L660 HydrophobicContact CD2-CD1 3.89Å; L658-L660 HydrophobicContact CD2-CD2 4.3Å; L658-L660 HydrophobicContact CD2-CG 4.06Å; L658-L660 HydrophobicContact CG-CD1 4.15Å; L658-L660 HydrophobicContact CG-CD2 4.3Å; L658-L660 HydrophobicContact CG-CG 3.86Å
659	S	93.3	Very high	82.1	Confident	23 Å²	23	52.3 Å²	52.3	16%	0.161	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129.4	166	-68.1	0	0	0	0	109.6	L363 Y635 Q636 H638	L363-S659 CarbonylContact O-C 3.53Å; L363-S659 WeakPolarHBondContact O-CA 3.32Å; Y635-S659 CarbonylContact C-O 3.54Å; Y635-S659 WeakPolarHBondContact CA-O 3.43Å; Q636-S659 PolarHBondContact N-O 3.42Å; Q636-S659 PolarHBondContact O-N 2.8Å; H638-S659 PolarHBondContact CE1-OG 2.95Å
660	L	94.4	Very high	83.9	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.6	176.6	-71.9	163.3	0	0	0	109.5	L363 V365 V395 L633 L658 F662 L674 I677	L363-L660 HydrophobicContact CB-CB 4.46Å; L363-L660 PolarHBondContact N-O 3.31Å; L363-L660 PolarHBondContact O-N 2.92Å; V365-L660 HydrophobicContact CG2-CD1 4.3Å; V395-L660 HydrophobicContact CG2-CD2 3.97Å; L633-L660 HydrophobicContact CD1-CD2 4.18Å; L658-L660 HydrophobicContact CD1-CD2 4.21Å; L658-L660 HydrophobicContact CD1-CG 4.21Å; L658-L660 HydrophobicContact CD2-CD1 3.89Å; L658-L660 HydrophobicContact CD2-CD2 4.3Å; L658-L660 HydrophobicContact CD2-CG 4.06Å; L658-L660 HydrophobicContact CG-CD1 4.15Å; L658-L660 HydrophobicContact CG-CD2 4.3Å; L658-L660 HydrophobicContact CG-CG 3.86Å; L660-F662 HydrophobicContact CB-CD1 4.18Å; L660-F662 HydrophobicContact CB-CE1 4.06Å; L660-L674 HydrophobicContact CD1-CD2 3.43Å; L660-L674 VanDerWaalsContact CD1-CD2 3.43Å; L660-I677 HydrophobicContact CD1-CD1 4.25Å
661	N	95	Very high	85.7	Confident	48 Å²	48	37.1 Å²	37.1	26%	0.257	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.9	172.9	-43.8	-54.7	0	0	0	109.5	F361 D362 N632 L633 S634	F361-N661 VanDerWaalsContact O-CA 3.27Å; F361-N661 WeakPolarHBondContact O-CA 3.32Å; D362-N661 PolarHBondContact OD1-OD1 3.45Å; D362-N661 VanDerWaalsContact OD1-OD1 3.06Å; N632-N661 VanDerWaalsContact O-O 3.14Å; L633-N661 WeakPolarHBondContact CA-O 3.3Å; S634-N661 PolarHBondContact N-O 3.15Å; S634-N661 PolarHBondContact O-N 3.13Å; S634-N661 PolarHBondContact OG-O 3.37Å
662	F	95.8	Very high	87.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	159.6	-179.8	55.9	-89.1	0	0	0	112.5	H360 F361 L363 P630 L633 L660 L664 A670 C673	H360-F662 WeakPolarHBondContact CA-O 3.42Å; H360-F662 PolarHBondContact ND1-O 3.22Å; H360-F662 VanDerWaalsContact ND1-O 3.16Å; F361-F662 HydrophobicContact CB-CD2 4.4Å; F361-F662 HydrophobicContact CB-CE1 4.38Å; F361-F662 HydrophobicContact CB-CE2 4.01Å; F361-F662 HydrophobicContact CB-CZ 4.01Å; F361-F662 HydrophobicContact CD2-CD2 4.2Å; F361-F662 AromaticContact CD2-CE2 3.8Å; F361-F662 HydrophobicContact CD2-CE2 3.8Å; F361-F662 HydrophobicContact CG-CE2 4.11Å; F361-F662 HydrophobicContact CG-CZ 4.4Å; F361-F662 PolarHBondContact N-O 3.28Å; F361-F662 PolarHBondContact O-N 3.47Å; L363-F662 HydrophobicContact CD1-CE1 3.76Å; L363-F662 HydrophobicContact CD1-CZ 3.61Å; L363-F662 HydrophobicContact CG-CE1 4.44Å; P630-F662 HydrophobicContact CB-CB 4.2Å; P630-F662 HydrophobicContact CB-CD2 4.26Å; P630-F662 HydrophobicContact CB-CG 4.44Å; L633-F662 HydrophobicContact CB-CB 4.1Å; L633-F662 HydrophobicContact CD1-CB 3.67Å; L633-F662 HydrophobicContact CD1-CD1 3.68Å; L633-F662 HydrophobicContact CD1-CG 3.97Å; L633-F662 HydrophobicContact CG-CB 4.47Å; L660-F662 HydrophobicContact CB-CD1 4.18Å; L660-F662 HydrophobicContact CB-CE1 4.06Å; F662-L664 HydrophobicContact CD2-CD1 4.38Å; F662-L664 HydrophobicContact CD2-CD2 3.9Å; F662-L664 HydrophobicContact CD2-CG 3.77Å; F662-L664 HydrophobicContact CE2-CD1 3.79Å; F662-L664 HydrophobicContact CE2-CD2 4.05Å; F662-L664 HydrophobicContact CE2-CG 3.7Å; F662-A670 HydrophobicContact CE2-CB 4.31Å; F662-A670 HydrophobicContact CZ-CB 4.2Å; F662-C673 HydrophobicContact CE2-CB 4.41Å; F662-C673 HydrophobicContact CZ-CB 4.5Å
663	D	95.6	Very high	89.1	Confident	13 Å²	13	31.3 Å²	31.3	7%	0.07	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	137.7	173.3	-57.1	-38.4	0	0	0	109.7	I45 K51 H360 H631 N632	I45-D663 HydrophobicContact CD1-CB 3.79Å; K51-D663 IonicContact NZ-OD1 3.64Å; H360-D663 VanDerWaalsContact CB-OD1 3.27Å; H360-D663 WeakPolarHBondContact CB-OD1 3.45Å; H360-D663 IonicContact CE1-OD1 2.85Å; H360-D663 IonicContact CG-OD1 3.1Å; H360-D663 VanDerWaalsContact CG-OD1 3.26Å; H360-D663 IonicContact ND1-OD1 2.9Å; H360-D663 PolarHBondContact ND1-OD1 3.5Å; H631-D663 HydrophobicContact CB-CB 4.14Å; H631-D663 PolarHBondContact N-O 2.93Å; H631-D663 PolarHBondContact O-N 2.76Å; N632-D663 PolarHBondContact ND2-OD2 2.89Å
664	L	94.4	Very high	90.3	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144	167.6	-59.2	179.5	0	0	0	110.4	G358 N359 F361 F403 P630 F662 C668 A670 C673	G358-L664 CarbonylContact C-O 3.53Å; G358-L664 WeakPolarHBondContact CA-O 3.28Å; N359-L664 PolarHBondContact N-O 3.29Å; N359-L664 PolarHBondContact O-N 3.35Å; F361-L664 HydrophobicContact CD2-CD1 4.21Å; F361-L664 HydrophobicContact CD2-CG 4.15Å; F361-L664 HydrophobicContact CE2-CB 4Å; F361-L664 HydrophobicContact CE2-CD1 3.8Å; F361-L664 HydrophobicContact CE2-CG 3.96Å; F403-L664 HydrophobicContact CE1-CD2 3.83Å; F403-L664 HydrophobicContact CZ-CD1 4.36Å; F403-L664 HydrophobicContact CZ-CD2 3.94Å; P630-L664 HydrophobicContact CB-CD2 3.89Å; F662-L664 HydrophobicContact CD2-CD1 4.38Å; F662-L664 HydrophobicContact CD2-CD2 3.9Å; F662-L664 HydrophobicContact CD2-CG 3.77Å; F662-L664 HydrophobicContact CE2-CD1 3.79Å; F662-L664 HydrophobicContact CE2-CD2 4.05Å; F662-L664 HydrophobicContact CE2-CG 3.7Å; L664-C668 HydrophobicContact CB-CB 3.86Å; L664-C668 HydrophobicContact CD1-CB 4.1Å; L664-C668 HydrophobicContact CG-CB 4.48Å; L664-A670 HydrophobicContact CD1-CB 4.28Å; L664-C673 HydrophobicContact CD1-CB 4.45Å
665	D	92.1	Very high	91.1	Very high	83 Å²	83	21 Å²	21	44%	0.444	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	161.1	170.8	-72.4	-28.4	0	0	0	112.3	H631 C668	H631-D665 IonicContact NE2-OD1 3.84Å; H631-D665 IonicContact NE2-OD2 3.74Å; D665-C668 WeakPolarHBondContact O-CB 3.34Å; D665-C668 PolarHBondContact O-N 3.43Å
666	S	88.4	Confident	91.7	Very high	49 Å²	49	20 Å²	20	34%	0.343	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	146.6	174.9	76.2	0	0	0	0	111.2	R357 C668	R357-S666 PolarHBondContact O-N 2.84Å; S666-C668 PolarHBondContact O-N 3.02Å
667	S	85.9	Confident	92	Very high	81 Å²	81	19 Å²	19	57%	0.566	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	15	-178.3	-45.2	0	0	0	0	115.7	R624	R624-S667 VanDerWaalsContact CZ-O 3.23Å; R624-S667 PolarHBondContact NH1-O 3.4Å; R624-S667 PolarHBondContact NH2-O 2.73Å
668	C	91.7	Very high	92.1	Very high	18 Å²	18	19.2 Å²	19.2	12%	0.122	11%	0.113	C	C	.	.			trans	-98.4	155.1	168.9	-62.3	0	0	0	0	111.7	L664 D665 S666	L664-C668 HydrophobicContact CB-CB 3.86Å; L664-C668 HydrophobicContact CD1-CB 4.1Å; L664-C668 HydrophobicContact CG-CB 4.48Å; D665-C668 WeakPolarHBondContact O-CB 3.34Å; D665-C668 PolarHBondContact O-N 3.43Å; S666-C668 PolarHBondContact O-N 3.02Å
669	Y	91.4	Very high	92	Very high	49 Å²	49	20.7 Å²	20.7	19%	0.192	12%	0.119	C	C	.	.			trans	-114.9	119.5	-175.5	-67.9	-97.3	0	0	0	111.1	Y406 Y407 T671 I672 C673	Y406-Y669 WeakPolarHBondContact O-CD2 3.3Å; Y407-Y669 AromaticContact CD1-CE2 3.64Å; Y407-Y669 HydrophobicContact CD1-CE2 3.64Å; Y407-Y669 AromaticContact CD1-CZ 3.95Å; Y407-Y669 HydrophobicContact CE1-CE2 4.26Å; Y407-Y669 HydrophobicContact CG-CE2 4.38Å; Y669-T671 PolarHBondContact O-N 3.22Å; Y669-I672 PolarHBondContact O-N 3.36Å; Y669-C673 PolarHBondContact O-N 3.45Å; Y669-C673 VanDerWaalsContact O-N 3.16Å
670	A	91.8	Very high	91.3	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.041	12%	0.119	C	C	.	.	H	α-helix	trans	-61	-33.7	177.3	0	0	0	0	0	112.8	F40 F361 L363 F662 L664 I672 C673 L674	F40-A670 HydrophobicContact CZ-CB 4.37Å; F361-A670 HydrophobicContact CD1-CB 3.58Å; F361-A670 HydrophobicContact CD2-CB 4.15Å; F361-A670 HydrophobicContact CE1-CB 3.53Å; F361-A670 HydrophobicContact CE2-CB 4.1Å; F361-A670 HydrophobicContact CG-CB 3.9Å; F361-A670 HydrophobicContact CZ-CB 3.8Å; L363-A670 HydrophobicContact CD1-CB 4.2Å; F662-A670 HydrophobicContact CE2-CB 4.31Å; F662-A670 HydrophobicContact CZ-CB 4.2Å; L664-A670 HydrophobicContact CD1-CB 4.28Å; A670-I672 VanDerWaalsContact C-N 3.3Å; A670-I672 PolarHBondContact O-N 2.88Å; A670-C673 WeakPolarHBondContact O-CB 3.28Å; A670-C673 PolarHBondContact O-N 3.42Å; A670-L674 WeakPolarHBondContact O-CB 3.33Å; A670-L674 WeakPolarHBondContact O-CG 3.37Å; A670-L674 PolarHBondContact O-N 3.04Å
671	T	90.1	Very high	90	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.055	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-38	173.8	46.8	0	0	0	0	112.3	I33 Q410 Y669 L674 R675 T682	I33-T671 HydrophobicContact CD1-CG2 4.28Å; Q410-T671 VanDerWaalsContact NE2-CG2 3.32Å; Q410-T671 PolarHBondContact OE1-OG1 3.48Å; Y669-T671 PolarHBondContact O-N 3.22Å; T671-L674 PolarHBondContact O-N 2.96Å; T671-R675 VanDerWaalsContact O-CB 3.31Å; T671-R675 WeakPolarHBondContact O-CB 3.47Å; T671-R675 PolarHBondContact O-N 2.82Å; T671-T682 WeakPolarHBondContact O-CG2 3.47Å
672	I	92.5	Very high	87.9	Confident	4 Å²	4	28.8 Å²	28.8	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-71.7	-37.5	177	-62.2	-56	0	0	0	111.5	V18 F403 V404 Y406 Y669 A670 R675 E676	V18-I672 HydrophobicContact CG1-CD1 4.13Å; F403-I672 HydrophobicContact CD2-CB 4.49Å; F403-I672 HydrophobicContact CD2-CG2 3.73Å; F403-I672 HydrophobicContact CE2-CB 4.38Å; F403-I672 HydrophobicContact CE2-CG2 4.02Å; V404-I672 VanDerWaalsContact O-CG2 3.26Å; V404-I672 WeakPolarHBondContact O-CG2 3.49Å; Y406-I672 HydrophobicContact CD2-CG2 4.36Å; Y669-I672 PolarHBondContact O-N 3.36Å; A670-I672 VanDerWaalsContact C-N 3.3Å; A670-I672 PolarHBondContact O-N 2.88Å; I672-R675 WeakPolarHBondContact O-CB 3.32Å; I672-R675 PolarHBondContact O-N 3.36Å; I672-E676 PolarHBondContact O-N 3.05Å; I672-E676 VanDerWaalsContact O-N 3.08Å
673	C	93.2	Very high	87.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-49.4	171.2	-177.6	0	0	0	0	111	F403 F662 L664 Y669 A670 R675 E676 I677	F403-C673 HydrophobicContact CD1-CB 3.99Å; F403-C673 HydrophobicContact CE1-CB 3.69Å; F403-C673 HydrophobicContact CE2-CB 4.3Å; F403-C673 HydrophobicContact CG-CB 4.43Å; F403-C673 HydrophobicContact CZ-CB 3.85Å; F662-C673 HydrophobicContact CE2-CB 4.41Å; F662-C673 HydrophobicContact CZ-CB 4.5Å; L664-C673 HydrophobicContact CD1-CB 4.45Å; Y669-C673 PolarHBondContact O-N 3.45Å; Y669-C673 VanDerWaalsContact O-N 3.16Å; A670-C673 WeakPolarHBondContact O-CB 3.28Å; A670-C673 PolarHBondContact O-N 3.42Å; C673-R675 VanDerWaalsContact C-N 3.29Å; C673-R675 PolarHBondContact O-N 3.07Å; C673-E676 PolarHBondContact O-N 3.44Å; C673-E676 VanDerWaalsContact O-N 3.15Å; C673-I677 WeakPolarHBondContact O-CG1 3.33Å; C673-I677 PolarHBondContact O-N 2.7Å; C673-I677 VanDerWaalsContact O-N 3.07Å
674	L	91.8	Very high	87.1	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-38.6	175.7	-73.3	173.9	0	0	0	112.2	I33 L363 V365 L660 A670 T671 E676 I677 M678	I33-L674 HydrophobicContact CD1-CD1 4.41Å; I33-L674 HydrophobicContact CG2-CD1 4.07Å; L363-L674 HydrophobicContact CD1-CD1 3.75Å; L363-L674 HydrophobicContact CD1-CD2 4.33Å; L363-L674 HydrophobicContact CD1-CG 4.14Å; V365-L674 HydrophobicContact CG2-CD2 4.19Å; L660-L674 HydrophobicContact CD1-CD2 3.43Å; L660-L674 VanDerWaalsContact CD1-CD2 3.43Å; A670-L674 WeakPolarHBondContact O-CB 3.33Å; A670-L674 WeakPolarHBondContact O-CG 3.37Å; A670-L674 PolarHBondContact O-N 3.04Å; T671-L674 PolarHBondContact O-N 2.96Å; L674-E676 VanDerWaalsContact C-N 3.3Å; L674-E676 PolarHBondContact O-N 2.98Å; L674-I677 PolarHBondContact O-N 3.43Å; L674-M678 HydrophobicContact CB-SD 4.34Å; L674-M678 VanDerWaalsContact O-CB 3.25Å; L674-M678 WeakPolarHBondContact O-CB 3.3Å; L674-M678 VanDerWaalsContact O-CG 3.31Å; L674-M678 WeakPolarHBondContact O-CG 3.46Å; L674-M678 PolarHBondContact O-N 3.36Å
675	R	91.3	Very high	86.7	Confident	6 Å²	6	32.7 Å²	32.7	2%	0.023	18%	0.184	C	C	.	.	H	α-helix	trans	-58.3	-41.5	175.2	-162.9	-167.3	171	-144.6	9.3	111.8	V18 P19 F22 T671 I672 C673 K679 C680 T682	V18-R675 PolarHBondContact O-NH2 3.39Å; P19-R675 PolarHBondContact O-NH1 2.63Å; P19-R675 PolarHBondContact O-NH2 3.45Å; F22-R675 HydrophobicContact CE1-CG 4.14Å; F22-R675 WeakPolarHBondContact CE1-O 3.46Å; T671-R675 VanDerWaalsContact O-CB 3.31Å; T671-R675 WeakPolarHBondContact O-CB 3.47Å; T671-R675 PolarHBondContact O-N 2.82Å; I672-R675 WeakPolarHBondContact O-CB 3.32Å; I672-R675 PolarHBondContact O-N 3.36Å; C673-R675 VanDerWaalsContact C-N 3.29Å; C673-R675 PolarHBondContact O-N 3.07Å; R675-K679 VanDerWaalsContact O-CA 3.32Å; R675-K679 WeakPolarHBondContact O-CA 3.45Å; R675-K679 PolarHBondContact O-N 3.48Å; R675-C680 WeakPolarHBondContact CG-O 3.31Å; R675-T682 HydrophobicContact CB-CG2 3.76Å; R675-T682 HydrophobicContact CG-CG2 4.02Å
676	E	92.1	Very high	86.3	Confident	5 Å²	5	29.8 Å²	29.8	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-68.2	-40	175.5	-175.7	73.7	-144.6	0	0	111.8	F22 I23 S24 H26 V398 F403 I672 C673 L674 K679	F22-E676 WeakPolarHBondContact CA-OE2 3.41Å; F22-E676 WeakPolarHBondContact CD1-OE2 3.47Å; I23-E676 PolarHBondContact N-OE1 3.41Å; I23-E676 PolarHBondContact N-OE2 2.94Å; S24-E676 PolarHBondContact N-OE1 3.44Å; S24-E676 PolarHBondContact OG-OE1 2.8Å; S24-E676 VanDerWaalsContact OG-OE1 3.06Å; H26-E676 PolarHBondContact CE1-O 2.95Å; H26-E676 PolarHBondContact NE2-O 3.04Å; H26-E676 VanDerWaalsContact NE2-O 3.14Å; V398-E676 HydrophobicContact CG2-CB 4.12Å; V398-E676 HydrophobicContact CG2-CG 3.56Å; F403-E676 HydrophobicContact CB-CB 3.63Å; F403-E676 HydrophobicContact CB-CG 3.74Å; I672-E676 PolarHBondContact O-N 3.05Å; I672-E676 VanDerWaalsContact O-N 3.08Å; C673-E676 PolarHBondContact O-N 3.44Å; C673-E676 VanDerWaalsContact O-N 3.15Å; L674-E676 VanDerWaalsContact C-N 3.3Å; L674-E676 PolarHBondContact O-N 2.98Å; E676-K679 WeakPolarHBondContact O-CE 3.43Å; E676-K679 PolarHBondContact O-NZ 3.08Å; E676-K679 IonicContact OE1-NZ 3.15Å; E676-K679 PolarHBondContact OE1-NZ 3.2Å
677	I	92.1	Very high	86.2	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.6	-48.7	176.6	-65.2	172.4	0	0	0	110.1	H26 F29 A394 V395 V398 L660 C673 L674	H26-I677 PolarHBondContact NE2-O 2.77Å; F29-I677 HydrophobicContact CE1-CG2 3.86Å; F29-I677 HydrophobicContact CZ-CG2 3.75Å; A394-I677 HydrophobicContact CB-CG2 4.02Å; A394-I677 VanDerWaalsContact CB-O 3.31Å; A394-I677 WeakPolarHBondContact CB-O 3.37Å; V395-I677 HydrophobicContact CG2-CG2 4.18Å; V398-I677 HydrophobicContact CB-CG1 3.91Å; V398-I677 HydrophobicContact CG1-CG1 4.07Å; V398-I677 HydrophobicContact CG2-CB 4.45Å; V398-I677 HydrophobicContact CG2-CG1 3.6Å; L660-I677 HydrophobicContact CD1-CD1 4.25Å; C673-I677 WeakPolarHBondContact O-CG1 3.33Å; C673-I677 PolarHBondContact O-N 2.7Å; C673-I677 VanDerWaalsContact O-N 3.07Å; L674-I677 PolarHBondContact O-N 3.43Å
678	M	90.8	Very high	86.2	Confident	5 Å²	5	25.1 Å²	25.1	3%	0.025	13%	0.13	C	C	.	.	H	α-helix	trans	-84.1	-29	-170.9	-66.9	173.8	69.1	0	0	112.4	G28 F29 G31 V365 H371 L674 C680	G28-M678 CarbonylContact C-O 3.13Å; G28-M678 VanDerWaalsContact CA-O 3.32Å; G28-M678 WeakPolarHBondContact CA-O 3.34Å; F29-M678 HydrophobicContact CD2-CG 4.24Å; F29-M678 HydrophobicContact CE2-CG 3.69Å; F29-M678 HydrophobicContact CZ-CG 3.9Å; F29-M678 PolarHBondContact N-O 3Å; F29-M678 VanDerWaalsContact O-CB 3.3Å; F29-M678 WeakPolarHBondContact O-CB 3.5Å; G31-M678 WeakPolarHBondContact O-CE 3.34Å; V365-M678 HydrophobicContact CG1-CE 3.91Å; V365-M678 HydrophobicContact CG1-SD 4.16Å; H371-M678 PolarHBondContact CE1-O 2.94Å; L674-M678 HydrophobicContact CB-SD 4.34Å; L674-M678 VanDerWaalsContact O-CB 3.25Å; L674-M678 WeakPolarHBondContact O-CB 3.3Å; L674-M678 VanDerWaalsContact O-CG 3.31Å; L674-M678 WeakPolarHBondContact O-CG 3.46Å; L674-M678 PolarHBondContact O-N 3.36Å; M678-C680 PolarHBondContact O-N 3.13Å
679	K	87.6	Confident	85.8	Confident	31 Å²	31	25.6 Å²	25.6	14%	0.135	13%	0.131	C	C	.	.			trans	62.7	17.8	-172.1	-53.7	-67.5	177.1	-176	0	115.1	F22 S24 H26 R675 E676	F22-K679 HydrophobicContact CB-CD 4.29Å; F22-K679 VanDerWaalsContact CB-NZ 3.27Å; F22-K679 HydrophobicContact CD1-CD 3.77Å; F22-K679 HydrophobicContact CD2-CD 4.11Å; F22-K679 HydrophobicContact CE1-CD 4.05Å; F22-K679 HydrophobicContact CE2-CD 4.38Å; F22-K679 HydrophobicContact CG-CD 3.8Å; F22-K679 HydrophobicContact CZ-CD 4.35Å; S24-K679 PolarHBondContact O-NZ 3.36Å; S24-K679 PolarHBondContact OG-NZ 3.13Å; H26-K679 WeakPolarHBondContact CE1-CE 3.15Å; H26-K679 WeakPolarHBondContact NE2-CE 3.33Å; R675-K679 VanDerWaalsContact O-CA 3.32Å; R675-K679 WeakPolarHBondContact O-CA 3.45Å; R675-K679 PolarHBondContact O-N 3.48Å; E676-K679 WeakPolarHBondContact O-CE 3.43Å; E676-K679 PolarHBondContact O-NZ 3.08Å; E676-K679 IonicContact OE1-NZ 3.15Å; E676-K679 PolarHBondContact OE1-NZ 3.2Å
680	C	79.4	Confident	85.4	Confident	24 Å²	24	23.8 Å²	23.8	16%	0.162	13%	0.126	C	C	.	.	S	Bend	trans	-105.9	159.6	173.3	69.6	0	0	0	0	111.2	R675 M678	R675-C680 WeakPolarHBondContact CG-O 3.31Å; M678-C680 PolarHBondContact O-N 3.13Å
681	E	66.3	Low	84.9	Confident	130 Å²	130	25.3 Å²	25.3	61%	0.607	13%	0.134	S	C	*	.			trans	-67.1	142.7	165.4	-65.4	-171.6	171.2	0	0	109.9	N17	N17-E681 PolarHBondContact ND2-OE1 3.37Å; N17-E681 PolarHBondContact OD1-OE1 3.46Å
682	T	51.6	Low	84.4	Confident	89 Å²	89	26.8 Å²	26.8	55%	0.546	14%	0.141	S	C	.	.			trans	-101.1	0	-174.3	51	0	0	0	0	113.6	T671 R675	T671-T682 WeakPolarHBondContact O-CG2 3.47Å; R675-T682 HydrophobicContact CB-CG2 3.76Å; R675-T682 HydrophobicContact CG-CG2 4.02Å

Retrieved 682 of 682 residues in 349.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).