A0A060Y9P2_ONCMY Loading...

Methionine adenosyltransferase 2 subunit beta

Regulatory subunit of S-adenosylmethionine synthetase 2, an enzyme that catalyzes the formation of S-adenosylmethionine from methionine and ATP. Regulates MAT2A catalytic activity by changing its kinetic properties, increasing its affinity for L-methionine. Can bind NADP (in vitro).

AlphaFold DB , UniProt , Accession A0A060Y9P2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mat2b, Length 332 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	50	Low	69.8	Low	169 Å²	169	110.7 Å²	110.7	83%	0.833	54%	0.537	S	S	*	.				0	123.4	0	-102.3	179.7	-77.9	0	0	105.9
2	N	49.2	Very low	70.8	Confident	109 Å²	109	113.3 Å²	113.3	58%	0.583	57%	0.569	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82	115.3	174.3	-67	-8.3	0	0	0	106.7	N21	N2-N21 HydrophobicContact CB-CB 4.31Å
3	E	59.1	Low	71.9	Confident	110 Å²	110	111.6 Å²	111.6	51%	0.514	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.1	152	162.9	-78.2	-178.7	-163.3	0	0	108.5	V22 I24	E3-V22 PolarHBondContact N-O 3.07Å; E3-V22 PolarHBondContact O-N 3.17Å; E3-I24 HydrophobicContact CB-CD1 3.51Å; E3-I24 HydrophobicContact CB-CG1 4.13Å; E3-I24 HydrophobicContact CG-CD1 3.7Å; E3-I24 WeakPolarHBondContact OE2-CD1 3.38Å
4	K	57	Low	72.5	Confident	132 Å²	132	111.1 Å²	111.1	57%	0.574	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.4	109.9	-179.5	-67.9	-171.1	179	-172	0	108.1	Q19 E20	K4-Q19 HydrophobicContact CB-CG 3.72Å; K4-Q19 VanDerWaalsContact CD-CD 3.43Å; K4-Q19 HydrophobicContact CD-CG 3.95Å; K4-Q19 HydrophobicContact CG-CG 4.22Å; K4-E20 WeakPolarHBondContact CA-O 3.32Å
5	E	68.5	Low	73.3	Confident	106 Å²	106	109.7 Å²	109.7	50%	0.495	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.8	138.7	173.8	-162.2	176.7	-175.6	0	0	109.1	E20 V22	E5-E20 PolarHBondContact N-O 2.88Å; E5-E20 VanDerWaalsContact N-O 3.13Å; E5-E20 PolarHBondContact O-N 2.81Å; E5-V22 HydrophobicContact CB-CG2 3.65Å
6	L	73.6	Confident	74.3	Confident	118 Å²	118	108 Å²	108	62%	0.618	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.7	114.4	174.3	-73.9	162.7	0	0	0	108.4	V17 Q19	L6-V17 HydrophobicContact CB-CG1 4.31Å; L6-V17 HydrophobicContact CD2-CG1 3.64Å; L6-Q19 HydrophobicContact CD2-CB 4.27Å; L6-Q19 HydrophobicContact CD2-CG 4.39Å
7	K	77.2	Confident	74.8	Confident	84 Å²	84	107.4 Å²	107.4	37%	0.365	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.5	148.1	171.5	-74.6	-170.2	-170	154.8	0	110.8	V17 V18 E20	K7-V17 CarbonylContact O-C 3.55Å; K7-V17 WeakPolarHBondContact O-CA 3.41Å; K7-V18 PolarHBondContact N-O 3.17Å; K7-V18 PolarHBondContact O-N 2.99Å; K7-E20 WeakPolarHBondContact CD-OE2 3.33Å; K7-E20 WeakPolarHBondContact CE-OE2 3.35Å; K7-E20 IonicContact NZ-OE2 3.85Å; K7-E20 PolarHBondContact NZ-OE2 3.38Å
8	I	83.9	Confident	75.3	Confident	97 Å²	97	103.7 Å²	103.7	50%	0.497	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.4	115.1	172.3	-52.7	178.9	0	0	0	107.2	F10 V15 E16 V17	I8-F10 HydrophobicContact CB-CE2 4.04Å; I8-F10 HydrophobicContact CB-CZ 4.35Å; I8-F10 HydrophobicContact CG2-CD2 4.22Å; I8-F10 HydrophobicContact CG2-CE1 4.14Å; I8-F10 HydrophobicContact CG2-CE2 3.61Å; I8-F10 HydrophobicContact CG2-CZ 3.57Å; I8-V15 HydrophobicContact CG2-CG1 3.49Å; I8-V15 VanDerWaalsContact CG2-CG1 3.49Å; I8-E16 WeakPolarHBondContact CA-O 3.45Å; I8-V17 HydrophobicContact CG1-CG2 4.5Å
9	H	81.6	Confident	75	Confident	62 Å²	62	104.1 Å²	104.1	29%	0.287	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92	128.9	171.7	-68.8	-178.7	0	0	0	109.4	E16 V18 E20	H9-E16 HydrophobicContact CB-CG 3.76Å; H9-E16 IonicContact CG-OE1 3.62Å; H9-E16 PolarHBondContact N-O 2.94Å; H9-E16 IonicContact ND1-OE1 3.94Å; H9-E16 PolarHBondContact ND1-OE1 3Å; H9-E16 PolarHBondContact O-N 2.98Å; H9-E16 VanDerWaalsContact O-N 3.17Å; H9-V18 HydrophobicContact CB-CG2 4.18Å; H9-V18 WeakPolarHBondContact ND1-CG2 3.48Å; H9-E20 IonicContact CE1-OE1 4Å; H9-E20 PolarHBondContact CE1-OE1 3.34Å; H9-E20 IonicContact NE2-OE1 3.49Å; H9-E20 PolarHBondContact NE2-OE1 2.89Å
10	F	84.1	Confident	75	Confident	156 Å²	156	102 Å²	102	68%	0.684	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.6	174.4	-65.1	-86.6	0	0	0	109	I8 V15	I8-F10 HydrophobicContact CB-CE2 4.04Å; I8-F10 HydrophobicContact CB-CZ 4.35Å; I8-F10 HydrophobicContact CG2-CD2 4.22Å; I8-F10 HydrophobicContact CG2-CE1 4.14Å; I8-F10 HydrophobicContact CG2-CE2 3.61Å; I8-F10 HydrophobicContact CG2-CZ 3.57Å; F10-V15 HydrophobicContact CD1-CG1 4.43Å; F10-V15 HydrophobicContact CD1-CG2 3.86Å; F10-V15 HydrophobicContact CE1-CG1 4.17Å; F10-V15 HydrophobicContact CE1-CG2 4.03Å
11	T	83.1	Confident	74.2	Confident	75 Å²	75	102.2 Å²	102.2	46%	0.46	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152	164.4	51.5	0	0	0	0	108.6	G13 H14	T11-G13 PolarHBondContact O-N 3.41Å; T11-H14 PolarHBondContact N-O 2.74Å; T11-H14 PolarHBondContact O-N 2.83Å; T11-H14 WeakPolarHBondContact OG1-CB 3.46Å; T11-H14 PolarHBondContact OG1-O 3.43Å
12	P	81.8	Confident	74.6	Confident	142 Å²	142	96.1 Å²	96.1	92%	0.922	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	116.1	-178.9	-26.9	35.4	0	0	0	111.8
13	G	85.6	Confident	75	Confident	91 Å²	91	94.8 Å²	94.8	94%	0.938	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	1.3	-178.5	0	0	0	0	0	116.1	T11	T11-G13 PolarHBondContact O-N 3.41Å
14	H	80.3	Confident	74.9	Confident	104 Å²	104	90.7 Å²	90.7	48%	0.481	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	133	-177.5	-174.2	74.8	0	0	0	112.5	T11 E16	T11-H14 PolarHBondContact N-O 2.74Å; T11-H14 PolarHBondContact O-N 2.83Å; T11-H14 WeakPolarHBondContact OG1-CB 3.46Å; T11-H14 PolarHBondContact OG1-O 3.43Å; H14-E16 IonicContact NE2-OE2 3.96Å
15	V	84.6	Confident	75.2	Confident	90 Å²	90	86.6 Å²	86.6	55%	0.545	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.5	174.4	-178.4	0	0	0	0	107.3	I8 F10	I8-V15 HydrophobicContact CG2-CG1 3.49Å; I8-V15 VanDerWaalsContact CG2-CG1 3.49Å; F10-V15 HydrophobicContact CD1-CG1 4.43Å; F10-V15 HydrophobicContact CD1-CG2 3.86Å; F10-V15 HydrophobicContact CE1-CG1 4.17Å; F10-V15 HydrophobicContact CE1-CG2 4.03Å
16	E	89.9	Confident	75.6	Confident	83 Å²	83	89.8 Å²	89.8	39%	0.388	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.6	174.9	60	174.9	-172	0	0	110.5	I8 H9 H14 V18	I8-E16 WeakPolarHBondContact CA-O 3.45Å; H9-E16 HydrophobicContact CB-CG 3.76Å; H9-E16 IonicContact CG-OE1 3.62Å; H9-E16 PolarHBondContact N-O 2.94Å; H9-E16 IonicContact ND1-OE1 3.94Å; H9-E16 PolarHBondContact ND1-OE1 3Å; H9-E16 PolarHBondContact O-N 2.98Å; H9-E16 VanDerWaalsContact O-N 3.17Å; H14-E16 IonicContact NE2-OE2 3.96Å; E16-V18 HydrophobicContact CB-CG2 4.37Å; E16-V18 HydrophobicContact CG-CG2 3.62Å
17	V	82.6	Confident	76.5	Confident	97 Å²	97	88.2 Å²	88.2	59%	0.588	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	110.4	168.7	-177	0	0	0	0	106.7	L6 K7 I8	L6-V17 HydrophobicContact CB-CG1 4.31Å; L6-V17 HydrophobicContact CD2-CG1 3.64Å; K7-V17 CarbonylContact O-C 3.55Å; K7-V17 WeakPolarHBondContact O-CA 3.41Å; I8-V17 HydrophobicContact CG1-CG2 4.5Å
18	V	83	Confident	77.5	Confident	42 Å²	42	86.2 Å²	86.2	26%	0.255	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.7	-177.8	-154.1	0	0	0	0	108.8	K7 H9 E16	K7-V18 PolarHBondContact N-O 3.17Å; K7-V18 PolarHBondContact O-N 2.99Å; H9-V18 HydrophobicContact CB-CG2 4.18Å; H9-V18 WeakPolarHBondContact ND1-CG2 3.48Å; E16-V18 HydrophobicContact CB-CG2 4.37Å; E16-V18 HydrophobicContact CG-CG2 3.62Å
19	Q	70.8	Confident	78.2	Confident	111 Å²	111	81.6 Å²	81.6	52%	0.519	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	100.9	173.6	-165.3	170.2	42.7	0	0	108.4	K4 L6	K4-Q19 HydrophobicContact CB-CG 3.72Å; K4-Q19 VanDerWaalsContact CD-CD 3.43Å; K4-Q19 HydrophobicContact CD-CG 3.95Å; K4-Q19 HydrophobicContact CG-CG 4.22Å; L6-Q19 HydrophobicContact CD2-CB 4.27Å; L6-Q19 HydrophobicContact CD2-CG 4.39Å
20	E	74.2	Confident	79	Confident	62 Å²	62	78.9 Å²	78.9	29%	0.29	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.1	-179.9	-66.8	-169.6	154.6	0	0	110.5	K4 E5 K7 H9 V22	K4-E20 WeakPolarHBondContact CA-O 3.32Å; E5-E20 PolarHBondContact N-O 2.88Å; E5-E20 VanDerWaalsContact N-O 3.13Å; E5-E20 PolarHBondContact O-N 2.81Å; K7-E20 WeakPolarHBondContact CD-OE2 3.33Å; K7-E20 WeakPolarHBondContact CE-OE2 3.35Å; K7-E20 IonicContact NZ-OE2 3.85Å; K7-E20 PolarHBondContact NZ-OE2 3.38Å; H9-E20 IonicContact CE1-OE1 4Å; H9-E20 PolarHBondContact CE1-OE1 3.34Å; H9-E20 IonicContact NE2-OE1 3.49Å; H9-E20 PolarHBondContact NE2-OE1 2.89Å; E20-V22 PolarHBondContact O-N 2.92Å
21	N	57.4	Low	79.7	Confident	106 Å²	106	71.4 Å²	71.4	57%	0.567	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	106.6	167.2	-74.3	-37.5	0	0	0	108	N2	N2-N21 HydrophobicContact CB-CB 4.31Å
22	V	59.8	Low	80.4	Confident	42 Å²	42	67.9 Å²	67.9	26%	0.255	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120	173.2	-177.1	0	0	0	0	107.6	E3 E5 E20 I24	E3-V22 PolarHBondContact N-O 3.07Å; E3-V22 PolarHBondContact O-N 3.17Å; E5-V22 HydrophobicContact CB-CG2 3.65Å; E20-V22 PolarHBondContact O-N 2.92Å; V22-I24 HydrophobicContact CG1-CG1 4.28Å; V22-I24 PolarHBondContact O-N 3.16Å
23	A	57.6	Low	81.1	Confident	80 Å²	80	61.7 Å²	61.7	66%	0.661	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	88.3	170.9	0	0	0	0	0	108.1	P25	A23-P25 VanDerWaalsContact O-CD 3.29Å; A23-P25 WeakPolarHBondContact O-CD 3.41Å
24	I	56.9	Low	81.7	Confident	25 Å²	25	57.4 Å²	57.4	13%	0.128	30%	0.299	C	S	.	.			trans	-71.7	121.5	172.2	-61	-166.9	0	0	0	107.2	E3 V22 Y26 H52	E3-I24 HydrophobicContact CB-CD1 3.51Å; E3-I24 HydrophobicContact CB-CG1 4.13Å; E3-I24 HydrophobicContact CG-CD1 3.7Å; E3-I24 WeakPolarHBondContact OE2-CD1 3.38Å; V22-I24 HydrophobicContact CG1-CG1 4.28Å; V22-I24 PolarHBondContact O-N 3.16Å; I24-Y26 PolarHBondContact O-N 3.41Å; I24-H52 HydrophobicContact CG2-CB 4.02Å; I24-H52 WeakPolarHBondContact CG2-ND1 3.5Å
25	P	62	Low	82.5	Confident	45 Å²	45	53.2 Å²	53.2	29%	0.292	28%	0.281	S	S	.	.			trans	-52.3	137.5	174	-20.8	27	0	0	0	110.3	A23 R27 A50 H52	A23-P25 VanDerWaalsContact O-CD 3.29Å; A23-P25 WeakPolarHBondContact O-CD 3.41Å; P25-R27 PolarHBondContact O-N 2.86Å; P25-A50 WeakPolarHBondContact CB-O 3.35Å; P25-H52 HydrophobicContact CG-CB 4.41Å
26	Y	77.1	Confident	83	Confident	174 Å²	174	49.9 Å²	49.9	68%	0.682	26%	0.264	S	S	*	.	S	Bend	trans	-59.7	-7.3	-178.3	-169.9	-97.6	0	0	0	113	I24 H86	I24-Y26 PolarHBondContact O-N 3.41Å; Y26-H86 PolarHBondContact O-CE1 3.09Å; Y26-H86 PolarHBondContact O-ND1 2.9Å; Y26-H86 VanDerWaalsContact O-ND1 3.09Å
27	R	92.9	Very high	83.4	Confident	84 Å²	84	46.6 Å²	46.6	32%	0.317	25%	0.25	S	C	.	.			trans	-117.5	111.7	-175.7	-56.3	-177.6	-176.8	171.3	1	109.9	P25 W51 H52 L235	P25-R27 PolarHBondContact O-N 2.86Å; R27-W51 HydrophobicContact CB-CD2 3.47Å; R27-W51 VanDerWaalsContact CB-CD2 3.47Å; R27-W51 HydrophobicContact CB-CE3 3.38Å; R27-W51 HydrophobicContact CB-CG 4.14Å; R27-W51 HydrophobicContact CB-CH2 3.9Å; R27-W51 HydrophobicContact CB-CZ2 4Å; R27-W51 HydrophobicContact CB-CZ3 3.62Å; R27-W51 HydrophobicContact CG-CH2 4.44Å; R27-W51 HydrophobicContact CG-CZ2 4.36Å; R27-W51 WeakPolarHBondContact O-CA 3.24Å; R27-H52 PolarHBondContact O-N 3.34Å; R27-L235 HydrophobicContact CG-CD1 3.85Å
28	R	97.5	Very high	84.2	Confident	43 Å²	43	42.6 Å²	42.6	16%	0.162	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.8	176.4	-69.8	-172.1	-61.8	-88.9	-7.9	110.1	H52 F83 Q84 H86 V87	R28-H52 CarbonylContact C-O 3.55Å; R28-H52 WeakPolarHBondContact CA-O 3.44Å; R28-H52 HydrophobicContact CG-CB 3.99Å; R28-F83 HydrophobicContact CB-CE1 3.88Å; R28-F83 HydrophobicContact CB-CZ 3.82Å; R28-F83 VanDerWaalsContact CD-O 3.24Å; R28-F83 WeakPolarHBondContact CD-O 3.36Å; R28-F83 HydrophobicContact CG-CE2 4.46Å; R28-F83 HydrophobicContact CG-CZ 4.15Å; R28-F83 PolarHBondContact NE-O 2.82Å; R28-Q84 PolarHBondContact NE-O 3.23Å; R28-Q84 PolarHBondContact NH2-O 2.89Å; R28-H86 PolarHBondContact N-ND1 3.28Å; R28-H86 PolarHBondContact O-N 3.38Å; R28-V87 PolarHBondContact O-N 2.8Å
29	V	98.6	Very high	84.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.1	176.3	60.2	0	0	0	0	110.9	V31 F46 W51 H52 A53 L54 F83 V87 V89	V29-V31 HydrophobicContact CG2-CG2 4.16Å; V29-F46 HydrophobicContact CB-CD1 4.12Å; V29-F46 HydrophobicContact CB-CE1 4.31Å; V29-F46 HydrophobicContact CB-CG 4.37Å; V29-F46 HydrophobicContact CG1-CB 3.64Å; V29-F46 HydrophobicContact CG1-CD1 3.69Å; V29-F46 HydrophobicContact CG1-CD2 4.29Å; V29-F46 HydrophobicContact CG1-CE1 4.36Å; V29-F46 HydrophobicContact CG1-CG 3.63Å; V29-F46 HydrophobicContact CG2-CD1 4.24Å; V29-F46 HydrophobicContact CG2-CD2 4.23Å; V29-F46 HydrophobicContact CG2-CE1 4.14Å; V29-F46 HydrophobicContact CG2-CE2 4.17Å; V29-F46 HydrophobicContact CG2-CG 4.27Å; V29-F46 HydrophobicContact CG2-CZ 4.1Å; V29-W51 HydrophobicContact CB-CE3 3.73Å; V29-W51 HydrophobicContact CB-CZ3 4.09Å; V29-W51 HydrophobicContact CG1-CB 4.15Å; V29-W51 HydrophobicContact CG1-CE3 3.97Å; V29-H52 PolarHBondContact N-O 3.29Å; V29-A53 HydrophobicContact CG1-CB 3.8Å; V29-A53 WeakPolarHBondContact O-CA 3.48Å; V29-L54 PolarHBondContact O-N 2.89Å; V29-F83 WeakPolarHBondContact O-CE1 3.41Å; V29-V87 CarbonylContact C-O 3.58Å; V29-V87 VanDerWaalsContact CA-O 3.26Å; V29-V87 WeakPolarHBondContact CA-O 3.44Å; V29-V87 HydrophobicContact CB-CB 4.4Å; V29-V87 HydrophobicContact CG2-CB 4.12Å; V29-V87 HydrophobicContact CG2-CG1 4.15Å; V29-V89 HydrophobicContact CG2-CG2 4.08Å
30	L	98.6	Very high	86.2	Confident	4 Å²	4	36 Å²	36	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.8	171.1	173.6	62.9	0	0	0	108.9	T32 L54 V79 I80 F83 P85 V87 I88 V89	L30-T32 HydrophobicContact CG-CG2 4.46Å; L30-L54 CarbonylContact C-O 3.59Å; L30-L54 WeakPolarHBondContact CA-O 3.26Å; L30-L54 HydrophobicContact CD1-CB 4.29Å; L30-L54 HydrophobicContact CD1-CD2 4.07Å; L30-L54 HydrophobicContact CD1-CG 4.02Å; L30-V79 HydrophobicContact CD1-CG1 4.04Å; L30-V79 HydrophobicContact CD2-CG1 4.03Å; L30-I80 HydrophobicContact CD2-CG1 3.99Å; L30-F83 HydrophobicContact CB-CD1 4.17Å; L30-F83 HydrophobicContact CB-CE1 4.27Å; L30-P85 HydrophobicContact CB-CB 3.95Å; L30-P85 HydrophobicContact CB-CG 4.11Å; L30-V87 PolarHBondContact N-O 3.32Å; L30-I88 HydrophobicContact CB-CG1 4.11Å; L30-I88 HydrophobicContact CD2-CG1 4.28Å; L30-I88 CarbonylContact O-C 3.39Å; L30-I88 VanDerWaalsContact O-CA 3.29Å; L30-I88 WeakPolarHBondContact O-CA 3.32Å; L30-V89 PolarHBondContact O-N 3.18Å
31	V	98.8	Very high	87.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	109.6	176.7	-175.1	0	0	0	0	108.6	V29 A34 V42 L54 G55 C56	V29-V31 HydrophobicContact CG2-CG2 4.16Å; V31-A34 HydrophobicContact CB-CB 4.48Å; V31-A34 HydrophobicContact CG1-CB 4.3Å; V31-V42 HydrophobicContact CG1-CB 4.18Å; V31-V42 HydrophobicContact CG1-CG1 3.89Å; V31-V42 HydrophobicContact CG2-CG1 3.82Å; V31-L54 PolarHBondContact N-O 3.33Å; V31-G55 WeakPolarHBondContact O-CA 3.46Å; V31-C56 PolarHBondContact O-N 3.25Å
32	T	98.3	Very high	89.4	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	145.5	173.5	72.1	0	0	0	0	110.3	L30 A34 L70 I88 V89 H90 C91 A92 L118	L30-T32 HydrophobicContact CG-CG2 4.46Å; T32-A34 VanDerWaalsContact C-N 3.28Å; T32-L70 HydrophobicContact CG2-CD2 4.07Å; T32-I88 HydrophobicContact CG2-CG2 4.48Å; T32-V89 PolarHBondContact N-O 3.16Å; T32-H90 VanDerWaalsContact OG1-CA 3.3Å; T32-H90 WeakPolarHBondContact OG1-CA 3.34Å; T32-H90 PolarHBondContact OG1-ND1 3.06Å; T32-C91 WeakPolarHBondContact O-CA 3.48Å; T32-C91 VanDerWaalsContact O-CB 3.27Å; T32-C91 WeakPolarHBondContact O-CB 3.29Å; T32-C91 PolarHBondContact O-N 2.95Å; T32-C91 VanDerWaalsContact O-N 3.1Å; T32-A92 PolarHBondContact O-N 3.05Å; T32-L118 HydrophobicContact CG2-CD1 4.45Å; T32-L118 HydrophobicContact CG2-CD2 4.16Å
33	G	97	Very high	91.2	Very high	12 Å²	12	27.8 Å²	27.8	12%	0.124	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	25.4	-172.9	0	0	0	0	0	112.5	T35 G36 G39 C56	G33-T35 PolarHBondContact O-N 3.1Å; G33-G36 PolarHBondContact O-N 2.85Å; G33-G39 WeakPolarHBondContact O-CA 3.28Å; G33-C56 PolarHBondContact N-O 2.95Å
34	A	97.9	Very high	93.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.2	-178.2	0	0	0	0	0	113.8	V31 T32 G36 G39 R40 C56 F65	V31-A34 HydrophobicContact CB-CB 4.48Å; V31-A34 HydrophobicContact CG1-CB 4.3Å; T32-A34 VanDerWaalsContact C-N 3.28Å; A34-G36 VanDerWaalsContact C-N 3.34Å; A34-G39 CarbonylContact O-C 3.6Å; A34-R40 WeakPolarHBondContact O-CA 3.47Å; A34-R40 WeakPolarHBondContact O-CG 3.44Å; A34-R40 PolarHBondContact O-N 2.9Å; A34-C56 PolarHBondContact N-O 2.88Å; A34-F65 HydrophobicContact CB-CD1 3.89Å; A34-F65 HydrophobicContact CB-CD2 4.25Å; A34-F65 HydrophobicContact CB-CE1 3.83Å; A34-F65 HydrophobicContact CB-CE2 4.18Å; A34-F65 HydrophobicContact CB-CG 4.09Å; A34-F65 HydrophobicContact CB-CZ 3.97Å; A34-F65 WeakPolarHBondContact O-CE2 3.49Å
35	T	96.7	Very high	95.1	Very high	17 Å²	17	27 Å²	27	10%	0.104	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-11.8	173.5	56.3	0	0	0	0	113.9	G33 R40 R60 A61 F65	G33-T35 PolarHBondContact O-N 3.1Å; T35-R40 PolarHBondContact O-NH1 3.04Å; T35-R40 VanDerWaalsContact O-NH1 3.14Å; T35-R60 HydrophobicContact CG2-CB 3.99Å; T35-R60 VanDerWaalsContact CG2-O 3.28Å; T35-R60 WeakPolarHBondContact CG2-O 3.19Å; T35-R60 VanDerWaalsContact O-CZ 3.28Å; T35-R60 PolarHBondContact O-NH1 3.16Å; T35-R60 PolarHBondContact O-NH2 3.37Å; T35-A61 HydrophobicContact CG2-CB 4.49Å; T35-F65 HydrophobicContact CG2-CD2 3.7Å; T35-F65 HydrophobicContact CG2-CE2 4.36Å
36	G	96.4	Very high	96.9	Very high	19 Å²	19	24.9 Å²	24.9	20%	0.196	11%	0.114	C	C	.	.	S	Bend	trans	-88.3	166.1	-179.8	0	0	0	0	0	112.5	G33 A34 L38 G39 R40	G33-G36 PolarHBondContact O-N 2.85Å; A34-G36 VanDerWaalsContact C-N 3.34Å; G36-L38 PolarHBondContact O-N 3.25Å; G36-G39 PolarHBondContact O-N 2.77Å; G36-G39 VanDerWaalsContact O-N 3.15Å; G36-R40 WeakPolarHBondContact O-CG 3.39Å; G36-R40 PolarHBondContact O-N 3.31Å
37	L	97.5	Very high	97.8	Very high	15 Å²	15	21.1 Å²	21.1	8%	0.079	10%	0.103	C	C	.	.	H	α-helix	trans	-43.9	-59.7	-179.9	175.4	58.8	0	0	0	113.9	L181 V185 E190 V220	L37-L181 HydrophobicContact CD2-CB 4.42Å; L37-V185 HydrophobicContact CD1-CG1 3.93Å; L37-E190 HydrophobicContact CB-CG 4.26Å; L37-V220 HydrophobicContact CD1-CG1 4.22Å; L37-V220 HydrophobicContact CD1-CG2 4.42Å; L37-V220 HydrophobicContact CD2-CG1 4.27Å; L37-V220 HydrophobicContact CG-CG1 3.83Å
38	L	98.6	Very high	97.9	Very high	13 Å²	13	23 Å²	23	7%	0.068	12%	0.119	C	C	.	.	H	α-helix	trans	-70.1	-42.6	179.2	178.8	61.1	0	0	0	112	G36 R40 A41 V42 I130 L181 V220 V223	G36-L38 PolarHBondContact O-N 3.25Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 3.45Å; L38-A41 WeakPolarHBondContact O-CB 3.5Å; L38-A41 PolarHBondContact O-N 3.36Å; L38-V42 HydrophobicContact CD1-CG2 3.86Å; L38-V42 HydrophobicContact CG-CG2 3.93Å; L38-V42 WeakPolarHBondContact O-CG2 2.99Å; L38-V42 PolarHBondContact O-N 3.36Å; L38-I130 HydrophobicContact CD2-CB 4.3Å; L38-I130 HydrophobicContact CD2-CD1 4.17Å; L38-I130 HydrophobicContact CD2-CG1 3.83Å; L38-I130 HydrophobicContact CD2-CG2 3.67Å; L38-L181 HydrophobicContact CB-CD1 4.06Å; L38-L181 HydrophobicContact CD2-CD1 4.02Å; L38-L181 HydrophobicContact CG-CD1 4.43Å; L38-V220 HydrophobicContact CB-CG1 4.47Å; L38-V220 HydrophobicContact CD1-CB 4.03Å; L38-V220 HydrophobicContact CD1-CG1 4.26Å; L38-V223 HydrophobicContact CD1-CB 3.75Å; L38-V223 HydrophobicContact CD1-CG1 3.61Å; L38-V223 HydrophobicContact CD2-CG1 4.09Å
39	G	98.4	Very high	97.9	Very high	1 Å²	1	24 Å²	24	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-60.3	-36.1	-176.5	0	0	0	0	0	113.1	G33 A34 G36 Y43	G33-G39 WeakPolarHBondContact O-CA 3.28Å; A34-G39 CarbonylContact O-C 3.6Å; G36-G39 PolarHBondContact O-N 2.77Å; G36-G39 VanDerWaalsContact O-N 3.15Å; G39-Y43 VanDerWaalsContact O-CB 3.25Å; G39-Y43 WeakPolarHBondContact O-CB 3.5Å; G39-Y43 PolarHBondContact O-N 3.49Å
40	R	98.3	Very high	97.6	Very high	14 Å²	14	27.5 Å²	27.5	5%	0.053	16%	0.157	C	C	.	.	H	α-helix	trans	-62.6	-44	173.8	-72.6	-168.4	-53.7	-95.6	-5.6	111.5	A34 T35 G36 L38 K44 E184 E186 E190	A34-R40 WeakPolarHBondContact O-CA 3.47Å; A34-R40 WeakPolarHBondContact O-CG 3.44Å; A34-R40 PolarHBondContact O-N 2.9Å; T35-R40 PolarHBondContact O-NH1 3.04Å; T35-R40 VanDerWaalsContact O-NH1 3.14Å; G36-R40 WeakPolarHBondContact O-CG 3.39Å; G36-R40 PolarHBondContact O-N 3.31Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 3.45Å; R40-K44 WeakPolarHBondContact O-CB 3.39Å; R40-K44 VanDerWaalsContact O-CG 3.28Å; R40-K44 WeakPolarHBondContact O-CG 3.38Å; R40-K44 PolarHBondContact O-N 3.48Å; R40-E184 PolarHBondContact NH2-O 3.25Å; R40-E184 VanDerWaalsContact NH2-O 3.08Å; R40-E186 IonicContact CZ-OE1 3.48Å; R40-E186 IonicContact NE-OE1 3.31Å; R40-E186 VanDerWaalsContact NH1-CD 3.27Å; R40-E186 IonicContact NH1-OE1 2.87Å; R40-E186 PolarHBondContact NH1-OE1 3.44Å; R40-E186 IonicContact NH1-OE2 3.3Å; R40-E190 IonicContact CZ-OE1 3.61Å; R40-E190 IonicContact CZ-OE2 3.92Å; R40-E190 IonicContact NH1-OE1 2.73Å; R40-E190 PolarHBondContact NH1-OE1 3.13Å; R40-E190 IonicContact NH1-OE2 3.52Å; R40-E190 PolarHBondContact NH1-OE2 3.22Å; R40-E190 VanDerWaalsContact NH2-CD 3.32Å; R40-E190 IonicContact NH2-OE1 3.32Å; R40-E190 PolarHBondContact NH2-OE1 2.95Å; R40-E190 IonicContact NH2-OE2 3.45Å; R40-E190 PolarHBondContact NH2-OE2 2.52Å
41	A	98.7	Very high	97.5	Very high	6 Å²	6	27.8 Å²	27.8	5%	0.05	16%	0.157	C	C	.	.	H	α-helix	trans	-66.9	-45.5	178.9	0	0	0	0	0	111.7	L38 K44 E45 V220 A224	L38-A41 WeakPolarHBondContact O-CB 3.5Å; L38-A41 PolarHBondContact O-N 3.36Å; A41-K44 PolarHBondContact O-N 2.92Å; A41-E45 WeakPolarHBondContact O-CB 3.18Å; A41-E45 PolarHBondContact O-N 2.82Å; A41-V220 HydrophobicContact CB-CB 3.86Å; A41-V220 HydrophobicContact CB-CG2 3.64Å; A41-A224 HydrophobicContact CB-CB 4.22Å
42	V	98.9	Very high	97.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.5	-50.9	175.7	173.3	0	0	0	0	110.6	V31 L38 K44 E45 F46 V89 A224	V31-V42 HydrophobicContact CG1-CB 4.18Å; V31-V42 HydrophobicContact CG1-CG1 3.89Å; V31-V42 HydrophobicContact CG2-CG1 3.82Å; L38-V42 HydrophobicContact CD1-CG2 3.86Å; L38-V42 HydrophobicContact CG-CG2 3.93Å; L38-V42 WeakPolarHBondContact O-CG2 2.99Å; L38-V42 PolarHBondContact O-N 3.36Å; V42-K44 PolarHBondContact O-N 3.4Å; V42-E45 PolarHBondContact O-N 2.75Å; V42-F46 HydrophobicContact CG1-CD2 3.8Å; V42-F46 HydrophobicContact CG1-CE2 3.82Å; V42-F46 VanDerWaalsContact O-CD2 3.31Å; V42-F46 WeakPolarHBondContact O-CD2 3.05Å; V42-F46 PolarHBondContact O-N 2.94Å; V42-F46 VanDerWaalsContact O-N 3.07Å; V42-V89 HydrophobicContact CG1-CB 3.97Å; V42-V89 HydrophobicContact CG1-CG1 3.9Å; V42-V89 HydrophobicContact CG1-CG2 4.08Å; V42-A224 HydrophobicContact CG2-CB 4.08Å
43	Y	98.6	Very high	97.3	Very high	31 Å²	31	31.5 Å²	31.5	12%	0.122	18%	0.176	C	C	.	.	H	α-helix	trans	-57	-48.7	178	175.5	-93.5	0	0	0	112.2	G39 E45 F46 Q47 A53 F65	G39-Y43 VanDerWaalsContact O-CB 3.25Å; G39-Y43 WeakPolarHBondContact O-CB 3.5Å; G39-Y43 PolarHBondContact O-N 3.49Å; Y43-E45 PolarHBondContact O-N 3.44Å; Y43-F46 PolarHBondContact O-N 3.34Å; Y43-Q47 WeakPolarHBondContact O-CB 3.48Å; Y43-Q47 PolarHBondContact O-N 3.45Å; Y43-A53 HydrophobicContact CD2-CB 3.85Å; Y43-A53 HydrophobicContact CE2-CB 3.72Å; Y43-A53 WeakPolarHBondContact CE2-O 3.3Å; Y43-F65 AromaticContact CD1-CE1 3.64Å; Y43-F65 HydrophobicContact CD1-CE1 3.64Å; Y43-F65 AromaticContact CD1-CZ 3.96Å; Y43-F65 HydrophobicContact CD1-CZ 3.96Å; Y43-F65 AromaticContact CD2-CE1 3.81Å; Y43-F65 HydrophobicContact CD2-CE1 3.81Å; Y43-F65 AromaticContact CE1-CE1 3.71Å; Y43-F65 HydrophobicContact CE1-CE1 3.71Å; Y43-F65 HydrophobicContact CE1-CZ 4.29Å; Y43-F65 HydrophobicContact CE2-CD1 4.42Å; Y43-F65 AromaticContact CE2-CE1 3.89Å; Y43-F65 HydrophobicContact CE2-CE1 3.89Å; Y43-F65 AromaticContact CG-CE1 3.69Å; Y43-F65 HydrophobicContact CG-CE1 3.69Å; Y43-F65 HydrophobicContact CG-CZ 4.19Å; Y43-F65 AromaticContact CZ-CE1 3.85Å
44	K	98.3	Very high	97.4	Very high	56 Å²	56	33 Å²	33	24%	0.243	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-45.2	177.2	-75.8	179	-176.6	-173.8	0	111.5	R40 A41 V42 Q47 N48 E184	R40-K44 WeakPolarHBondContact O-CB 3.39Å; R40-K44 VanDerWaalsContact O-CG 3.28Å; R40-K44 WeakPolarHBondContact O-CG 3.38Å; R40-K44 PolarHBondContact O-N 3.48Å; A41-K44 PolarHBondContact O-N 2.92Å; V42-K44 PolarHBondContact O-N 3.4Å; K44-Q47 PolarHBondContact O-N 3Å; K44-N48 VanDerWaalsContact O-CB 3.29Å; K44-N48 WeakPolarHBondContact O-CB 3.17Å; K44-N48 PolarHBondContact O-N 2.87Å; K44-N48 PolarHBondContact O-ND2 3.45Å; K44-E184 VanDerWaalsContact NZ-CD 3.26Å; K44-E184 IonicContact NZ-OE1 2.86Å; K44-E184 PolarHBondContact NZ-OE1 3.47Å; K44-E184 VanDerWaalsContact NZ-OE1 3.08Å; K44-E184 IonicContact NZ-OE2 3.86Å; K44-E184 PolarHBondContact NZ-OE2 3.06Å
45	E	98.6	Very high	97.4	Very high	32 Å²	32	33 Å²	33	15%	0.15	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-47.8	-179.1	177.2	63.6	-169.2	0	0	111.6	A41 V42 Y43 N48 N49 A224 R228	A41-E45 WeakPolarHBondContact O-CB 3.18Å; A41-E45 PolarHBondContact O-N 2.82Å; V42-E45 PolarHBondContact O-N 2.75Å; Y43-E45 PolarHBondContact O-N 3.44Å; E45-N48 PolarHBondContact O-N 3.29Å; E45-N49 WeakPolarHBondContact O-CB 3.4Å; E45-N49 PolarHBondContact O-N 3.05Å; E45-N49 PolarHBondContact O-ND2 2.85Å; E45-N49 PolarHBondContact OE1-ND2 3.45Å; E45-A224 HydrophobicContact CB-CB 3.71Å; E45-A224 HydrophobicContact CG-CB 4.14Å; E45-R228 HydrophobicContact CG-CB 4.02Å; E45-R228 IonicContact OE1-CZ 3.88Å; E45-R228 IonicContact OE1-NE 3.55Å; E45-R228 PolarHBondContact OE1-NE 3.19Å; E45-R228 IonicContact OE1-NH2 2.88Å; E45-R228 PolarHBondContact OE1-NH2 3.24Å
46	F	98.3	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-45.2	177.5	-83.1	-80.6	0	0	0	112.1	V29 V42 Y43 N48 N49 W51 A53 V89 C227 R228 A231	V29-F46 HydrophobicContact CB-CD1 4.12Å; V29-F46 HydrophobicContact CB-CE1 4.31Å; V29-F46 HydrophobicContact CB-CG 4.37Å; V29-F46 HydrophobicContact CG1-CB 3.64Å; V29-F46 HydrophobicContact CG1-CD1 3.69Å; V29-F46 HydrophobicContact CG1-CD2 4.29Å; V29-F46 HydrophobicContact CG1-CE1 4.36Å; V29-F46 HydrophobicContact CG1-CG 3.63Å; V29-F46 HydrophobicContact CG2-CD1 4.24Å; V29-F46 HydrophobicContact CG2-CD2 4.23Å; V29-F46 HydrophobicContact CG2-CE1 4.14Å; V29-F46 HydrophobicContact CG2-CE2 4.17Å; V29-F46 HydrophobicContact CG2-CG 4.27Å; V29-F46 HydrophobicContact CG2-CZ 4.1Å; V42-F46 HydrophobicContact CG1-CD2 3.8Å; V42-F46 HydrophobicContact CG1-CE2 3.82Å; V42-F46 VanDerWaalsContact O-CD2 3.31Å; V42-F46 WeakPolarHBondContact O-CD2 3.05Å; V42-F46 PolarHBondContact O-N 2.94Å; V42-F46 VanDerWaalsContact O-N 3.07Å; Y43-F46 PolarHBondContact O-N 3.34Å; F46-N48 VanDerWaalsContact C-N 3.3Å; F46-N48 PolarHBondContact O-N 3.06Å; F46-N49 PolarHBondContact O-N 3.42Å; F46-N49 VanDerWaalsContact O-N 3.12Å; F46-W51 HydrophobicContact CB-CB 4.1Å; F46-W51 HydrophobicContact CB-CG 4.42Å; F46-W51 HydrophobicContact CD1-CB 4.07Å; F46-W51 AromaticContact CD1-CD1 3.81Å; F46-W51 AromaticContact CD1-CD2 3.48Å; F46-W51 HydrophobicContact CD1-CD2 3.48Å; F46-W51 VanDerWaalsContact CD1-CD2 3.48Å; F46-W51 AromaticContact CD1-CE2 3.76Å; F46-W51 AromaticContact CD1-CE3 3.89Å; F46-W51 HydrophobicContact CD1-CE3 3.89Å; F46-W51 AromaticContact CD1-CG 3.56Å; F46-W51 HydrophobicContact CD1-CG 3.56Å; F46-W51 HydrophobicContact CD1-CZ2 4.42Å; F46-W51 AromaticContact CD1-NE1 3.92Å; F46-W51 AromaticContact CE1-CD2 3.82Å; F46-W51 HydrophobicContact CE1-CD2 3.82Å; F46-W51 AromaticContact CE1-CE2 3.76Å; F46-W51 HydrophobicContact CE1-CE3 4.01Å; F46-W51 HydrophobicContact CE1-CG 4.35Å; F46-W51 HydrophobicContact CE1-CH2 4.17Å; F46-W51 AromaticContact CE1-CZ2 3.96Å; F46-W51 HydrophobicContact CE1-CZ2 3.96Å; F46-W51 HydrophobicContact CE1-CZ3 4.18Å; F46-W51 HydrophobicContact CG-CG 4.48Å; F46-W51 WeakPolarHBondContact O-CB 3.39Å; F46-W51 PolarHBondContact O-N 3.49Å; F46-A53 HydrophobicContact CB-CB 4.24Å; F46-V89 HydrophobicContact CE2-CG2 3.85Å; F46-V89 HydrophobicContact CZ-CG2 4.18Å; F46-C227 HydrophobicContact CE2-CB 4.25Å; F46-R228 HydrophobicContact CD1-CB 4.44Å; F46-R228 HydrophobicContact CD1-CG 4.12Å; F46-R228 HydrophobicContact CE1-CB 4.11Å; F46-R228 HydrophobicContact CE1-CG 3.99Å; F46-R228 HydrophobicContact CE2-CB 4.32Å; F46-R228 VanDerWaalsContact CZ-CA 3.5Å; F46-R228 HydrophobicContact CZ-CB 4.04Å; F46-R228 HydrophobicContact CZ-CG 4.44Å; F46-A231 HydrophobicContact CE1-CB 3.79Å; F46-A231 HydrophobicContact CZ-CB 3.73Å
47	Q	95.9	Very high	97.3	Very high	96 Å²	96	31.7 Å²	31.7	45%	0.449	17%	0.172	S	C	.	.	H	α-helix	trans	-58	-42.9	178	-174.9	-178	2.5	0	0	111.8	Y43 K44 N49 A53	Y43-Q47 WeakPolarHBondContact O-CB 3.48Å; Y43-Q47 PolarHBondContact O-N 3.45Å; K44-Q47 PolarHBondContact O-N 3Å; Q47-N49 PolarHBondContact O-N 3.4Å; Q47-A53 HydrophobicContact CB-CB 4.4Å
48	N	96.9	Very high	97.1	Very high	123 Å²	123	35.8 Å²	35.8	66%	0.658	19%	0.187	S	C	*	.	H	α-helix	trans	-73.3	-12.1	-178.8	-69.5	-12.6	0	0	0	113.7	K44 E45 F46	K44-N48 VanDerWaalsContact O-CB 3.29Å; K44-N48 WeakPolarHBondContact O-CB 3.17Å; K44-N48 PolarHBondContact O-N 2.87Å; K44-N48 PolarHBondContact O-ND2 3.45Å; E45-N48 PolarHBondContact O-N 3.29Å; F46-N48 VanDerWaalsContact C-N 3.3Å; F46-N48 PolarHBondContact O-N 3.06Å
49	N	96.1	Very high	96.7	Very high	63 Å²	63	46 Å²	46	34%	0.337	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	36.3	-176.9	-73.6	-89.4	0	0	0	112.3	E45 F46 Q47 W51	E45-N49 WeakPolarHBondContact O-CB 3.4Å; E45-N49 PolarHBondContact O-N 3.05Å; E45-N49 PolarHBondContact O-ND2 2.85Å; E45-N49 PolarHBondContact OE1-ND2 3.45Å; F46-N49 PolarHBondContact O-N 3.42Å; F46-N49 VanDerWaalsContact O-N 3.12Å; Q47-N49 PolarHBondContact O-N 3.4Å; N49-W51 VanDerWaalsContact C-N 3.35Å; N49-W51 VanDerWaalsContact O-CD1 3.31Å; N49-W51 PolarHBondContact O-N 2.92Å
50	A	92.9	Very high	96.2	Very high	75 Å²	75	51.9 Å²	51.9	62%	0.62	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	40.9	175.1	0	0	0	0	0	114.1	P25	P25-A50 WeakPolarHBondContact CB-O 3.35Å
51	W	96.4	Very high	96	Very high	9 Å²	9	51.2 Å²	51.2	3%	0.034	24%	0.244	C	C	.	.			trans	-104.3	146.2	163.2	-72	69.1	0	0	0	110.5	R27 V29 F46 N49 A53 V87 A231 E232 L235	R27-W51 HydrophobicContact CB-CD2 3.47Å; R27-W51 VanDerWaalsContact CB-CD2 3.47Å; R27-W51 HydrophobicContact CB-CE3 3.38Å; R27-W51 HydrophobicContact CB-CG 4.14Å; R27-W51 HydrophobicContact CB-CH2 3.9Å; R27-W51 HydrophobicContact CB-CZ2 4Å; R27-W51 HydrophobicContact CB-CZ3 3.62Å; R27-W51 HydrophobicContact CG-CH2 4.44Å; R27-W51 HydrophobicContact CG-CZ2 4.36Å; R27-W51 WeakPolarHBondContact O-CA 3.24Å; V29-W51 HydrophobicContact CB-CE3 3.73Å; V29-W51 HydrophobicContact CB-CZ3 4.09Å; V29-W51 HydrophobicContact CG1-CB 4.15Å; V29-W51 HydrophobicContact CG1-CE3 3.97Å; F46-W51 HydrophobicContact CB-CB 4.1Å; F46-W51 HydrophobicContact CB-CG 4.42Å; F46-W51 HydrophobicContact CD1-CB 4.07Å; F46-W51 AromaticContact CD1-CD1 3.81Å; F46-W51 AromaticContact CD1-CD2 3.48Å; F46-W51 HydrophobicContact CD1-CD2 3.48Å; F46-W51 VanDerWaalsContact CD1-CD2 3.48Å; F46-W51 AromaticContact CD1-CE2 3.76Å; F46-W51 AromaticContact CD1-CE3 3.89Å; F46-W51 HydrophobicContact CD1-CE3 3.89Å; F46-W51 AromaticContact CD1-CG 3.56Å; F46-W51 HydrophobicContact CD1-CG 3.56Å; F46-W51 HydrophobicContact CD1-CZ2 4.42Å; F46-W51 AromaticContact CD1-NE1 3.92Å; F46-W51 AromaticContact CE1-CD2 3.82Å; F46-W51 HydrophobicContact CE1-CD2 3.82Å; F46-W51 AromaticContact CE1-CE2 3.76Å; F46-W51 HydrophobicContact CE1-CE3 4.01Å; F46-W51 HydrophobicContact CE1-CG 4.35Å; F46-W51 HydrophobicContact CE1-CH2 4.17Å; F46-W51 AromaticContact CE1-CZ2 3.96Å; F46-W51 HydrophobicContact CE1-CZ2 3.96Å; F46-W51 HydrophobicContact CE1-CZ3 4.18Å; F46-W51 HydrophobicContact CG-CG 4.48Å; F46-W51 WeakPolarHBondContact O-CB 3.39Å; F46-W51 PolarHBondContact O-N 3.49Å; N49-W51 VanDerWaalsContact C-N 3.35Å; N49-W51 VanDerWaalsContact O-CD1 3.31Å; N49-W51 PolarHBondContact O-N 2.92Å; W51-A53 PolarHBondContact O-N 3.48Å; W51-A53 VanDerWaalsContact O-N 3.16Å; W51-V87 HydrophobicContact CH2-CB 4.47Å; W51-V87 HydrophobicContact CH2-CG2 3.69Å; W51-V87 HydrophobicContact CZ3-CB 4.1Å; W51-V87 HydrophobicContact CZ3-CG2 3.71Å; W51-A231 HydrophobicContact CH2-CB 3.93Å; W51-A231 HydrophobicContact CZ2-CB 4.11Å; W51-E232 HydrophobicContact CZ2-CG 3.8Å; W51-E232 PolarHBondContact NE1-OE1 3.24Å; W51-L235 HydrophobicContact CH2-CD1 3.76Å; W51-L235 HydrophobicContact CZ2-CD1 4.11Å
52	H	96.6	Very high	95.7	Very high	67 Å²	67	57 Å²	57	31%	0.31	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	99.3	163	-175.8	-174.4	0	0	0	107.5	I24 P25 R27 R28 V29 F83	I24-H52 HydrophobicContact CG2-CB 4.02Å; I24-H52 WeakPolarHBondContact CG2-ND1 3.5Å; P25-H52 HydrophobicContact CG-CB 4.41Å; R27-H52 PolarHBondContact O-N 3.34Å; R28-H52 CarbonylContact C-O 3.55Å; R28-H52 WeakPolarHBondContact CA-O 3.44Å; R28-H52 HydrophobicContact CG-CB 3.99Å; V29-H52 PolarHBondContact N-O 3.29Å; H52-F83 AromaticContact CE1-CE2 3.67Å; H52-F83 AromaticContact ND1-CE2 3.84Å; H52-F83 AromaticContact NE2-CE2 3.8Å; H52-F83 WeakPolarHBondContact O-CZ 3.26Å
53	A	97.4	Very high	95.2	Very high	12 Å²	12	63.1 Å²	63.1	10%	0.099	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.1	-179.6	0	0	0	0	0	110.9	V29 Y43 F46 Q47 W51	V29-A53 HydrophobicContact CG1-CB 3.8Å; V29-A53 WeakPolarHBondContact O-CA 3.48Å; Y43-A53 HydrophobicContact CD2-CB 3.85Å; Y43-A53 HydrophobicContact CE2-CB 3.72Å; Y43-A53 WeakPolarHBondContact CE2-O 3.3Å; F46-A53 HydrophobicContact CB-CB 4.24Å; Q47-A53 HydrophobicContact CB-CB 4.4Å; W51-A53 PolarHBondContact O-N 3.48Å; W51-A53 VanDerWaalsContact O-N 3.16Å
54	L	97.8	Very high	94.9	Very high	43 Å²	43	67.9 Å²	67.9	23%	0.225	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	118.8	165.6	178.9	61.5	0	0	0	108.5	V29 L30 V31 L66 V79 F83	V29-L54 PolarHBondContact O-N 2.89Å; L30-L54 CarbonylContact C-O 3.59Å; L30-L54 WeakPolarHBondContact CA-O 3.26Å; L30-L54 HydrophobicContact CD1-CB 4.29Å; L30-L54 HydrophobicContact CD1-CD2 4.07Å; L30-L54 HydrophobicContact CD1-CG 4.02Å; V31-L54 PolarHBondContact N-O 3.33Å; L54-L66 HydrophobicContact CD1-CB 4.36Å; L54-L66 HydrophobicContact CD2-CD2 4.43Å; L54-V79 HydrophobicContact CD2-CG1 4.18Å; L54-F83 HydrophobicContact CB-CD1 3.97Å; L54-F83 HydrophobicContact CB-CD2 3.92Å; L54-F83 HydrophobicContact CB-CE1 3.63Å; L54-F83 HydrophobicContact CB-CE2 3.57Å; L54-F83 HydrophobicContact CB-CG 4.11Å; L54-F83 HydrophobicContact CB-CZ 3.41Å; L54-F83 VanDerWaalsContact CB-CZ 3.41Å; L54-F83 HydrophobicContact CD2-CB 3.77Å; L54-F83 HydrophobicContact CD2-CD1 3.93Å; L54-F83 HydrophobicContact CD2-CD2 3.66Å; L54-F83 HydrophobicContact CD2-CE1 4.45Å; L54-F83 HydrophobicContact CD2-CE2 4.21Å; L54-F83 HydrophobicContact CD2-CG 3.49Å; L54-F83 VanDerWaalsContact CD2-CG 3.49Å; L54-F83 HydrophobicContact CG-CD2 4.39Å; L54-F83 HydrophobicContact CG-CE2 4.47Å; L54-F83 HydrophobicContact CG-CG 4.45Å
55	G	97.9	Very high	94.8	Very high	2 Å²	2	65.9 Å²	65.9	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.8	172.6	0	0	0	0	0	110.6	V31 F65 L66	V31-G55 WeakPolarHBondContact O-CA 3.46Å; G55-F65 WeakPolarHBondContact O-CB 3.46Å; G55-L66 PolarHBondContact O-N 3.19Å
56	C	96.6	Very high	94.7	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.6	168.8	75.9	0	0	0	0	112.3	V31 G33 A34 L66 C68	V31-C56 PolarHBondContact O-N 3.25Å; G33-C56 PolarHBondContact N-O 2.95Å; A34-C56 PolarHBondContact N-O 2.88Å; C56-L66 CarbonylContact C-O 3.55Å; C56-L66 WeakPolarHBondContact CA-O 3.31Å; C56-L66 HydrophobicContact CB-CB 4.18Å; C56-L66 WeakPolarHBondContact CB-O 3.27Å; C56-C68 HydrophobicContact CB-CB 3.98Å
57	G	95	Very high	94.6	Very high	6 Å²	6	74.9 Å²	74.9	6%	0.062	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-173.3	174.2	0	0	0	0	0	110.5	L66 R67 C68	G57-L66 PolarHBondContact N-O 3.43Å; G57-R67 CarbonylContact O-C 3.28Å; G57-R67 WeakPolarHBondContact O-CA 3.42Å; G57-C68 PolarHBondContact O-N 3.4Å
58	Y	92.3	Very high	94.6	Very high	101 Å²	101	70.7 Å²	70.7	40%	0.396	34%	0.337	S	S	.	.	S	Bend	trans	-110.4	-96.6	178.2	-170.6	-132.9	0	0	0	111.4	R60 A61 N69	Y58-R60 PolarHBondContact O-N 3.49Å; Y58-A61 PolarHBondContact O-N 3.16Å; Y58-N69 HydrophobicContact CD2-CB 4.03Å; Y58-N69 HydrophobicContact CE2-CB 3.75Å
59	R	90.3	Very high	94.5	Very high	227 Å²	227	67.2 Å²	67.2	86%	0.857	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-33.1	-173.6	-61.4	-176.3	-176.7	-172.6	0.6	114.6
60	R	89.5	Confident	94.4	Very high	124 Å²	124	64.8 Å²	64.8	47%	0.468	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	13.9	-175.3	-65.3	-177.1	-68.9	162.8	-2.6	113.5	T35 Y58 E186 E190	T35-R60 HydrophobicContact CG2-CB 3.99Å; T35-R60 VanDerWaalsContact CG2-O 3.28Å; T35-R60 WeakPolarHBondContact CG2-O 3.19Å; T35-R60 VanDerWaalsContact O-CZ 3.28Å; T35-R60 PolarHBondContact O-NH1 3.16Å; T35-R60 PolarHBondContact O-NH2 3.37Å; Y58-R60 PolarHBondContact O-N 3.49Å; R60-E186 IonicContact CZ-OE2 2.71Å; R60-E186 IonicContact NH1-OE1 2.76Å; R60-E186 IonicContact NH1-OE2 3.76Å; R60-E186 PolarHBondContact NH1-OE2 2.88Å; R60-E190 IonicContact NH1-OE1 3.2Å; R60-E190 PolarHBondContact NH1-OE1 3.05Å; R60-E190 IonicContact NH2-OE1 2.74Å
61	A	92.4	Very high	94.4	Very high	1 Å²	1	64 Å²	64	1%	0.008	29%	0.293	C	S	.	.			trans	-67.7	-52.5	-168.8	0	0	0	0	0	112.3	T35 Y58 R64 F65 L66 R67	T35-A61 HydrophobicContact CG2-CB 4.49Å; Y58-A61 PolarHBondContact O-N 3.16Å; A61-R64 PolarHBondContact O-N 3.43Å; A61-F65 CarbonylContact C-O 3.54Å; A61-F65 VanDerWaalsContact C-O 3.28Å; A61-F65 HydrophobicContact CB-CB 4.28Å; A61-F65 WeakPolarHBondContact CB-O 3.46Å; A61-F65 WeakPolarHBondContact O-CA 3.48Å; A61-F65 WeakPolarHBondContact O-CB 3.49Å; A61-F65 PolarHBondContact O-N 2.89Å; A61-L66 WeakPolarHBondContact CB-O 3.43Å; A61-R67 HydrophobicContact CB-CB 4Å
62	Q	92.6	Very high	94.3	Very high	126 Å²	126	67 Å²	67	59%	0.589	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	147.3	-174.2	-65.4	-67	-14	0	0	112
63	P	89.8	Confident	94.2	Very high	130 Å²	130	68.2 Å²	68.2	84%	0.844	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.6	-3.5	1.4	35.1	-36.2	0	0	0	114.4
64	R	91.3	Very high	94.1	Very high	130 Å²	130	72.8 Å²	72.8	49%	0.491	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-33.1	-166.4	-175.4	176.1	177.5	176.1	2.7	114.4	A61	A61-R64 PolarHBondContact O-N 3.43Å
65	F	96.4	Very high	94	Very high	14 Å²	14	72 Å²	72	6%	0.061	34%	0.338	C	S	.	.	S	Bend	trans	-128.8	157.2	-171.8	-63.1	-58.8	0	0	0	110.9	A34 T35 Y43 G55 A61 R67	A34-F65 HydrophobicContact CB-CD1 3.89Å; A34-F65 HydrophobicContact CB-CD2 4.25Å; A34-F65 HydrophobicContact CB-CE1 3.83Å; A34-F65 HydrophobicContact CB-CE2 4.18Å; A34-F65 HydrophobicContact CB-CG 4.09Å; A34-F65 HydrophobicContact CB-CZ 3.97Å; A34-F65 WeakPolarHBondContact O-CE2 3.49Å; T35-F65 HydrophobicContact CG2-CD2 3.7Å; T35-F65 HydrophobicContact CG2-CE2 4.36Å; Y43-F65 AromaticContact CD1-CE1 3.64Å; Y43-F65 HydrophobicContact CD1-CE1 3.64Å; Y43-F65 AromaticContact CD1-CZ 3.96Å; Y43-F65 HydrophobicContact CD1-CZ 3.96Å; Y43-F65 AromaticContact CD2-CE1 3.81Å; Y43-F65 HydrophobicContact CD2-CE1 3.81Å; Y43-F65 AromaticContact CE1-CE1 3.71Å; Y43-F65 HydrophobicContact CE1-CE1 3.71Å; Y43-F65 HydrophobicContact CE1-CZ 4.29Å; Y43-F65 HydrophobicContact CE2-CD1 4.42Å; Y43-F65 AromaticContact CE2-CE1 3.89Å; Y43-F65 HydrophobicContact CE2-CE1 3.89Å; Y43-F65 AromaticContact CG-CE1 3.69Å; Y43-F65 HydrophobicContact CG-CE1 3.69Å; Y43-F65 HydrophobicContact CG-CZ 4.19Å; Y43-F65 AromaticContact CZ-CE1 3.85Å; G55-F65 WeakPolarHBondContact O-CB 3.46Å; A61-F65 CarbonylContact C-O 3.54Å; A61-F65 VanDerWaalsContact C-O 3.28Å; A61-F65 HydrophobicContact CB-CB 4.28Å; A61-F65 WeakPolarHBondContact CB-O 3.46Å; A61-F65 WeakPolarHBondContact O-CA 3.48Å; A61-F65 WeakPolarHBondContact O-CB 3.49Å; A61-F65 PolarHBondContact O-N 2.89Å; F65-R67 PolarHBondContact O-N 3.33Å
66	L	96.4	Very high	93.9	Very high	64 Å²	64	72.1 Å²	72.1	34%	0.335	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.7	174.8	-175.7	64.8	0	0	0	110.2	L54 G55 C56 G57 A61 C68 V79	L54-L66 HydrophobicContact CD1-CB 4.36Å; L54-L66 HydrophobicContact CD2-CD2 4.43Å; G55-L66 PolarHBondContact O-N 3.19Å; C56-L66 CarbonylContact C-O 3.55Å; C56-L66 WeakPolarHBondContact CA-O 3.31Å; C56-L66 HydrophobicContact CB-CB 4.18Å; C56-L66 WeakPolarHBondContact CB-O 3.27Å; G57-L66 PolarHBondContact N-O 3.43Å; A61-L66 WeakPolarHBondContact CB-O 3.43Å; L66-C68 PolarHBondContact O-N 3.49Å; L66-V79 HydrophobicContact CD2-CB 4.39Å; L66-V79 HydrophobicContact CD2-CG1 3.94Å; L66-V79 HydrophobicContact CD2-CG2 3.51Å
67	R	96.8	Very high	93.9	Very high	158 Å²	158	75.5 Å²	75.5	60%	0.596	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	115	170.7	-175.7	175.6	179.4	-174	-2	108.7	G57 A61 F65	G57-R67 CarbonylContact O-C 3.28Å; G57-R67 WeakPolarHBondContact O-CA 3.42Å; A61-R67 HydrophobicContact CB-CB 4Å; F65-R67 PolarHBondContact O-N 3.33Å
68	C	95.2	Very high	93.9	Very high	8 Å²	8	77 Å²	77	5%	0.054	36%	0.363	C	S	.	.			trans	-137.2	126.1	176	178.8	0	0	0	0	109	C56 G57 L66 V79	C56-C68 HydrophobicContact CB-CB 3.98Å; G57-C68 PolarHBondContact O-N 3.4Å; L66-C68 PolarHBondContact O-N 3.49Å; C68-V79 HydrophobicContact CB-CG2 4.42Å
69	N	94.4	Very high	94.2	Very high	49 Å²	49	73.1 Å²	73.1	26%	0.262	35%	0.35	S	S	.	.			trans	-87.3	113.1	171.4	-176.6	15	0	0	0	108.6	Y58 T71 D72	Y58-N69 HydrophobicContact CD2-CB 4.03Å; Y58-N69 HydrophobicContact CE2-CB 3.75Å; N69-T71 PolarHBondContact ND2-OG1 3.3Å; N69-T71 PolarHBondContact O-N 3.36Å; N69-T71 PolarHBondContact OD1-N 2.89Å; N69-T71 PolarHBondContact OD1-OG1 3.08Å; N69-D72 HydrophobicContact CB-CB 4.19Å; N69-D72 WeakPolarHBondContact O-CB 3.46Å; N69-D72 PolarHBondContact O-N 3.26Å
70	L	94.2	Very high	94.5	Very high	13 Å²	13	62.7 Å²	62.7	7%	0.068	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.1	-176.9	-61	179.1	0	0	0	113.8	T32 D72 V76 A92 L110 A114	T32-L70 HydrophobicContact CG2-CD2 4.07Å; L70-D72 VanDerWaalsContact C-N 3.27Å; L70-V76 HydrophobicContact CD2-CG2 4.02Å; L70-A92 HydrophobicContact CD1-CB 3.36Å; L70-L110 HydrophobicContact CB-CD1 4.49Å; L70-A114 HydrophobicContact CB-CB 3.98Å; L70-A114 VanDerWaalsContact O-CB 3.26Å; L70-A114 WeakPolarHBondContact O-CB 3.45Å
71	T	92.5	Very high	94.8	Very high	58 Å²	58	62 Å²	62	36%	0.356	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.4	174	73.1	0	0	0	0	112.5	N69	N69-T71 PolarHBondContact ND2-OG1 3.3Å; N69-T71 PolarHBondContact O-N 3.36Å; N69-T71 PolarHBondContact OD1-N 2.89Å; N69-T71 PolarHBondContact OD1-OG1 3.08Å
72	D	94.6	Very high	94.9	Very high	73 Å²	73	68.7 Å²	68.7	39%	0.39	35%	0.349	S	S	.	.			trans	-103.2	105.3	174.9	179.6	-19.6	0	0	0	107.9	N69 L70 D74 A75 V76	N69-D72 HydrophobicContact CB-CB 4.19Å; N69-D72 WeakPolarHBondContact O-CB 3.46Å; N69-D72 PolarHBondContact O-N 3.26Å; L70-D72 VanDerWaalsContact C-N 3.27Å; D72-D74 VanDerWaalsContact C-N 3.3Å; D72-D74 PolarHBondContact O-N 3.14Å; D72-D74 PolarHBondContact OD1-N 3.18Å; D72-A75 HydrophobicContact CB-CB 3.86Å; D72-A75 PolarHBondContact O-N 3Å; D72-A75 PolarHBondContact OD1-N 2.9Å; D72-A75 VanDerWaalsContact OD1-N 3.07Å; D72-V76 WeakPolarHBondContact O-CG2 3.45Å; D72-V76 PolarHBondContact O-N 2.85Å
73	E	94.5	Very high	95.1	Very high	91 Å²	91	63.8 Å²	63.8	43%	0.425	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-36	-173.8	-48.1	-156.7	140.8	0	0	112.2	V76 R77 T117	E73-V76 PolarHBondContact O-N 2.71Å; E73-R77 WeakPolarHBondContact O-CB 3.47Å; E73-R77 PolarHBondContact O-N 3.2Å; E73-T117 HydrophobicContact CB-CG2 3.82Å; E73-T117 HydrophobicContact CG-CG2 3.64Å; E73-T117 PolarHBondContact OE1-OG1 2.98Å
74	D	95.8	Very high	95.4	Very high	108 Å²	108	62.8 Å²	62.8	58%	0.578	31%	0.309	S	S	*	.	H	α-helix	trans	-70.9	-38.5	-179.7	-68.7	-30.1	0	0	0	110.7	D72 R77 A78	D72-D74 VanDerWaalsContact C-N 3.3Å; D72-D74 PolarHBondContact O-N 3.14Å; D72-D74 PolarHBondContact OD1-N 3.18Å; D74-R77 PolarHBondContact O-N 2.94Å; D74-R77 IonicContact OD1-CZ 3.85Å; D74-R77 IonicContact OD1-NH1 2.74Å; D74-R77 PolarHBondContact OD1-NH1 3.09Å; D74-A78 WeakPolarHBondContact O-CB 3.28Å; D74-A78 PolarHBondContact O-N 2.92Å
75	A	95.3	Very high	95.7	Very high	28 Å²	28	56.8 Å²	56.8	23%	0.231	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-42.7	172.7	0	0	0	0	0	112	D72 V79	D72-A75 HydrophobicContact CB-CB 3.86Å; D72-A75 PolarHBondContact O-N 3Å; D72-A75 PolarHBondContact OD1-N 2.9Å; D72-A75 VanDerWaalsContact OD1-N 3.07Å; A75-V79 WeakPolarHBondContact O-CG2 3.39Å; A75-V79 PolarHBondContact O-N 2.87Å; A75-V79 VanDerWaalsContact O-N 3.16Å
76	V	96.2	Very high	95.8	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-47.2	176.4	171.2	0	0	0	0	110.7	L70 D72 E73 V79 I80 L118 E121	L70-V76 HydrophobicContact CD2-CG2 4.02Å; D72-V76 WeakPolarHBondContact O-CG2 3.45Å; D72-V76 PolarHBondContact O-N 2.85Å; E73-V76 PolarHBondContact O-N 2.71Å; V76-V79 PolarHBondContact O-N 2.87Å; V76-I80 HydrophobicContact CG1-CD1 3.87Å; V76-I80 WeakPolarHBondContact O-CG1 3.39Å; V76-I80 PolarHBondContact O-N 2.88Å; V76-I80 VanDerWaalsContact O-N 3.1Å; V76-L118 HydrophobicContact CG1-CD1 3.74Å; V76-E121 HydrophobicContact CG1-CB 4.43Å; V76-E121 HydrophobicContact CG1-CG 4.34Å
77	R	96.1	Very high	95.9	Very high	72 Å²	72	55.8 Å²	55.8	27%	0.272	28%	0.281	S	S	.	.	H	α-helix	trans	-59.2	-48.8	178.4	-176.5	177.8	-54.1	116.4	11.9	111.7	E73 D74 V79 I80 Q81 E121	E73-R77 WeakPolarHBondContact O-CB 3.47Å; E73-R77 PolarHBondContact O-N 3.2Å; D74-R77 PolarHBondContact O-N 2.94Å; D74-R77 IonicContact OD1-CZ 3.85Å; D74-R77 IonicContact OD1-NH1 2.74Å; D74-R77 PolarHBondContact OD1-NH1 3.09Å; R77-V79 VanDerWaalsContact C-N 3.35Å; R77-V79 PolarHBondContact O-N 2.92Å; R77-I80 PolarHBondContact O-N 2.82Å; R77-Q81 HydrophobicContact CG-CG 4.14Å; R77-Q81 VanDerWaalsContact CG-NE2 3.34Å; R77-Q81 WeakPolarHBondContact O-CB 3.46Å; R77-Q81 VanDerWaalsContact O-CG 3.29Å; R77-Q81 WeakPolarHBondContact O-CG 3.34Å; R77-Q81 PolarHBondContact O-N 3.34Å; R77-E121 WeakPolarHBondContact CG-OE2 3.45Å; R77-E121 IonicContact CZ-OE1 3.34Å; R77-E121 IonicContact NE-OE1 2.98Å; R77-E121 PolarHBondContact NE-OE1 3.47Å; R77-E121 IonicContact NE-OE2 3.5Å; R77-E121 IonicContact NH2-OE1 2.83Å; R77-E121 PolarHBondContact NH2-OE1 2.76Å
78	A	96.4	Very high	96	Very high	39 Å²	39	48.3 Å²	48.3	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-57.2	-47.6	179.3	0	0	0	0	0	111.5	D74 I80 Q81 D82	D74-A78 WeakPolarHBondContact O-CB 3.28Å; D74-A78 PolarHBondContact O-N 2.92Å; A78-I80 PolarHBondContact O-N 2.76Å; A78-Q81 PolarHBondContact O-N 3.18Å; A78-D82 WeakPolarHBondContact O-CB 3.32Å; A78-D82 PolarHBondContact O-N 2.96Å
79	V	96.8	Very high	96.1	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.115	25%	0.25	C	S	.	.	H	α-helix	trans	-61.3	-42.6	179.2	173.7	0	0	0	0	112.2	L30 L54 L66 C68 A75 V76 R77 F83	L30-V79 HydrophobicContact CD1-CG1 4.04Å; L30-V79 HydrophobicContact CD2-CG1 4.03Å; L54-V79 HydrophobicContact CD2-CG1 4.18Å; L66-V79 HydrophobicContact CD2-CB 4.39Å; L66-V79 HydrophobicContact CD2-CG1 3.94Å; L66-V79 HydrophobicContact CD2-CG2 3.51Å; C68-V79 HydrophobicContact CB-CG2 4.42Å; A75-V79 WeakPolarHBondContact O-CG2 3.39Å; A75-V79 PolarHBondContact O-N 2.87Å; A75-V79 VanDerWaalsContact O-N 3.16Å; V76-V79 PolarHBondContact O-N 2.87Å; R77-V79 VanDerWaalsContact C-N 3.35Å; R77-V79 PolarHBondContact O-N 2.92Å; V79-F83 WeakPolarHBondContact O-CB 3.39Å; V79-F83 PolarHBondContact O-N 2.89Å
80	I	97.1	Very high	96.3	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.041	24%	0.238	C	C	.	.	H	α-helix	trans	-68.8	-42.3	179	-69.5	170.4	0	0	0	110.8	L30 V76 R77 A78 Q84 P85 I88 L118 E121 I125	L30-I80 HydrophobicContact CD2-CG1 3.99Å; V76-I80 HydrophobicContact CG1-CD1 3.87Å; V76-I80 WeakPolarHBondContact O-CG1 3.39Å; V76-I80 PolarHBondContact O-N 2.88Å; V76-I80 VanDerWaalsContact O-N 3.1Å; R77-I80 PolarHBondContact O-N 2.82Å; A78-I80 PolarHBondContact O-N 2.76Å; I80-Q84 WeakPolarHBondContact O-CA 3.3Å; I80-Q84 PolarHBondContact O-N 2.89Å; I80-P85 HydrophobicContact CG2-CG 4.46Å; I80-P85 WeakPolarHBondContact O-CD 3.27Å; I80-I88 HydrophobicContact CD1-CD1 3.96Å; I80-I88 HydrophobicContact CG1-CD1 4.26Å; I80-L118 HydrophobicContact CD1-CD1 3.92Å; I80-E121 HydrophobicContact CD1-CB 3.63Å; I80-I125 HydrophobicContact CG2-CD1 3.54Å
81	Q	95.6	Very high	96.5	Very high	110 Å²	110	46.2 Å²	46.2	51%	0.514	24%	0.243	S	C	.	.	H	α-helix	trans	-67	-40.8	-179.6	-74.4	-178.9	-6.7	0	0	112.4	R77 A78 Q84	R77-Q81 HydrophobicContact CG-CG 4.14Å; R77-Q81 VanDerWaalsContact CG-NE2 3.34Å; R77-Q81 WeakPolarHBondContact O-CB 3.46Å; R77-Q81 VanDerWaalsContact O-CG 3.29Å; R77-Q81 WeakPolarHBondContact O-CG 3.34Å; R77-Q81 PolarHBondContact O-N 3.34Å; A78-Q81 PolarHBondContact O-N 3.18Å; Q81-Q84 WeakPolarHBondContact O-CG 3.49Å; Q81-Q84 PolarHBondContact O-NE2 2.93Å
82	D	95.4	Very high	96.6	Very high	141 Å²	141	44.3 Å²	44.3	75%	0.754	23%	0.233	S	C	*	.	H	α-helix	trans	-72.9	-43.2	179.6	-68	-18.2	0	0	0	111.3	A78	A78-D82 WeakPolarHBondContact O-CB 3.32Å; A78-D82 PolarHBondContact O-N 2.96Å
83	F	96.4	Very high	96.4	Very high	23 Å²	23	42.4 Å²	42.4	10%	0.101	23%	0.227	C	C	.	.	H	α-helix	trans	-84.6	-23.9	-174.8	-174.2	-116.1	0	0	0	113.9	R28 V29 L30 H52 L54 V79 P85	R28-F83 HydrophobicContact CB-CE1 3.88Å; R28-F83 HydrophobicContact CB-CZ 3.82Å; R28-F83 VanDerWaalsContact CD-O 3.24Å; R28-F83 WeakPolarHBondContact CD-O 3.36Å; R28-F83 HydrophobicContact CG-CE2 4.46Å; R28-F83 HydrophobicContact CG-CZ 4.15Å; R28-F83 PolarHBondContact NE-O 2.82Å; V29-F83 WeakPolarHBondContact O-CE1 3.41Å; L30-F83 HydrophobicContact CB-CD1 4.17Å; L30-F83 HydrophobicContact CB-CE1 4.27Å; H52-F83 AromaticContact CE1-CE2 3.67Å; H52-F83 AromaticContact ND1-CE2 3.84Å; H52-F83 AromaticContact NE2-CE2 3.8Å; H52-F83 WeakPolarHBondContact O-CZ 3.26Å; L54-F83 HydrophobicContact CB-CD1 3.97Å; L54-F83 HydrophobicContact CB-CD2 3.92Å; L54-F83 HydrophobicContact CB-CE1 3.63Å; L54-F83 HydrophobicContact CB-CE2 3.57Å; L54-F83 HydrophobicContact CB-CG 4.11Å; L54-F83 HydrophobicContact CB-CZ 3.41Å; L54-F83 VanDerWaalsContact CB-CZ 3.41Å; L54-F83 HydrophobicContact CD2-CB 3.77Å; L54-F83 HydrophobicContact CD2-CD1 3.93Å; L54-F83 HydrophobicContact CD2-CD2 3.66Å; L54-F83 HydrophobicContact CD2-CE1 4.45Å; L54-F83 HydrophobicContact CD2-CE2 4.21Å; L54-F83 HydrophobicContact CD2-CG 3.49Å; L54-F83 VanDerWaalsContact CD2-CG 3.49Å; L54-F83 HydrophobicContact CG-CD2 4.39Å; L54-F83 HydrophobicContact CG-CE2 4.47Å; L54-F83 HydrophobicContact CG-CG 4.45Å; V79-F83 WeakPolarHBondContact O-CB 3.39Å; V79-F83 PolarHBondContact O-N 2.89Å; F83-P85 HydrophobicContact CD1-CB 3.81Å; F83-P85 HydrophobicContact CD1-CG 4.22Å; F83-P85 HydrophobicContact CE1-CB 4Å
84	Q	95.9	Very high	96.1	Very high	108 Å²	108	39.8 Å²	39.8	51%	0.505	22%	0.215	S	C	.	.			trans	47.4	56.9	-178.1	-66.1	-68.8	-53.4	0	0	113.1	R28 I80 Q81	R28-Q84 PolarHBondContact NE-O 3.23Å; R28-Q84 PolarHBondContact NH2-O 2.89Å; I80-Q84 WeakPolarHBondContact O-CA 3.3Å; I80-Q84 PolarHBondContact O-N 2.89Å; Q81-Q84 WeakPolarHBondContact O-CG 3.49Å; Q81-Q84 PolarHBondContact O-NE2 2.93Å
85	P	97.6	Very high	95.5	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.032	21%	0.206	C	C	.	.			trans	-64.5	146.4	-176.2	25.5	-31.2	0	0	0	112	L30 I80 F83 V87 I88 I125	L30-P85 HydrophobicContact CB-CB 3.95Å; L30-P85 HydrophobicContact CB-CG 4.11Å; I80-P85 HydrophobicContact CG2-CG 4.46Å; I80-P85 WeakPolarHBondContact O-CD 3.27Å; F83-P85 HydrophobicContact CD1-CB 3.81Å; F83-P85 HydrophobicContact CD1-CG 4.22Å; F83-P85 HydrophobicContact CE1-CB 4Å; P85-V87 WeakPolarHBondContact CB-O 3.29Å; P85-I88 HydrophobicContact CB-CG1 4.3Å; P85-I88 HydrophobicContact CG-CD1 4.19Å; P85-I88 HydrophobicContact CG-CG1 3.88Å; P85-I125 HydrophobicContact CG-CD1 4.07Å; P85-I125 HydrophobicContact CG-CG2 4.31Å; P85-I125 WeakPolarHBondContact O-CG1 3.5Å; P85-I125 WeakPolarHBondContact O-CG2 3.45Å
86	H	97.6	Very high	94.9	Very high	57 Å²	57	44.1 Å²	44.1	26%	0.264	22%	0.217	S	C	.	.	S	Bend	trans	-81.9	-27.3	166	-59.9	125.8	0	0	0	111.4	Y26 R28 F126 L235	Y26-H86 PolarHBondContact O-CE1 3.09Å; Y26-H86 PolarHBondContact O-ND1 2.9Å; Y26-H86 VanDerWaalsContact O-ND1 3.09Å; R28-H86 PolarHBondContact N-ND1 3.28Å; R28-H86 PolarHBondContact O-N 3.38Å; H86-F126 PolarHBondContact O-N 3.21Å; H86-F126 VanDerWaalsContact O-N 3.17Å; H86-L235 HydrophobicContact CB-CD2 4.26Å
87	V	98.6	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	139.8	-178.7	-179.2	0	0	0	0	110	R28 V29 L30 W51 P85 V89 F126 I128 A231	R28-V87 PolarHBondContact O-N 2.8Å; V29-V87 CarbonylContact C-O 3.58Å; V29-V87 VanDerWaalsContact CA-O 3.26Å; V29-V87 WeakPolarHBondContact CA-O 3.44Å; V29-V87 HydrophobicContact CB-CB 4.4Å; V29-V87 HydrophobicContact CG2-CB 4.12Å; V29-V87 HydrophobicContact CG2-CG1 4.15Å; L30-V87 PolarHBondContact N-O 3.32Å; W51-V87 HydrophobicContact CH2-CB 4.47Å; W51-V87 HydrophobicContact CH2-CG2 3.69Å; W51-V87 HydrophobicContact CZ3-CB 4.1Å; W51-V87 HydrophobicContact CZ3-CG2 3.71Å; P85-V87 WeakPolarHBondContact CB-O 3.29Å; V87-V89 HydrophobicContact CG1-CG2 4.21Å; V87-F126 CarbonylContact C-O 3.53Å; V87-F126 VanDerWaalsContact CA-O 3.28Å; V87-F126 WeakPolarHBondContact CA-O 3.49Å; V87-F126 HydrophobicContact CG1-CD1 4.07Å; V87-F126 HydrophobicContact CG2-CB 4.29Å; V87-F126 HydrophobicContact CG2-CD1 4.22Å; V87-I128 HydrophobicContact CG1-CD1 4.48Å; V87-A231 HydrophobicContact CB-CB 4.47Å; V87-A231 HydrophobicContact CG1-CB 3.95Å; V87-A231 HydrophobicContact CG2-CB 3.93Å
88	I	98.8	Very high	93.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.8	167.3	-64.5	161.5	0	0	0	107.9	L30 T32 I80 P85 L118 A122 I125 F126 L127 I128	L30-I88 HydrophobicContact CB-CG1 4.11Å; L30-I88 HydrophobicContact CD2-CG1 4.28Å; L30-I88 CarbonylContact O-C 3.39Å; L30-I88 VanDerWaalsContact O-CA 3.29Å; L30-I88 WeakPolarHBondContact O-CA 3.32Å; T32-I88 HydrophobicContact CG2-CG2 4.48Å; I80-I88 HydrophobicContact CD1-CD1 3.96Å; I80-I88 HydrophobicContact CG1-CD1 4.26Å; P85-I88 HydrophobicContact CB-CG1 4.3Å; P85-I88 HydrophobicContact CG-CD1 4.19Å; P85-I88 HydrophobicContact CG-CG1 3.88Å; I88-L118 HydrophobicContact CG2-CD1 4.47Å; I88-L118 HydrophobicContact CG2-CD2 4.03Å; I88-L118 HydrophobicContact CG2-CG 4.45Å; I88-A122 HydrophobicContact CD1-CB 3.76Å; I88-I125 HydrophobicContact CD1-CB 4.36Å; I88-I125 HydrophobicContact CD1-CD1 4.22Å; I88-I125 HydrophobicContact CD1-CG2 3.77Å; I88-I125 HydrophobicContact CG1-CG2 3.78Å; I88-F126 PolarHBondContact N-O 2.73Å; I88-L127 HydrophobicContact CB-CD1 3.89Å; I88-L127 HydrophobicContact CG2-CD1 3.66Å; I88-L127 CarbonylContact O-C 3.55Å; I88-L127 WeakPolarHBondContact O-CA 3.45Å; I88-I128 PolarHBondContact O-N 3.45Å
89	V	98.9	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.3	168	-168.3	0	0	0	0	108.6	V29 L30 T32 V42 F46 V87 C91 I128 I130	V29-V89 HydrophobicContact CG2-CG2 4.08Å; L30-V89 PolarHBondContact O-N 3.18Å; T32-V89 PolarHBondContact N-O 3.16Å; V42-V89 HydrophobicContact CG1-CB 3.97Å; V42-V89 HydrophobicContact CG1-CG1 3.9Å; V42-V89 HydrophobicContact CG1-CG2 4.08Å; F46-V89 HydrophobicContact CE2-CG2 3.85Å; F46-V89 HydrophobicContact CZ-CG2 4.18Å; V87-V89 HydrophobicContact CG1-CG2 4.21Å; V89-C91 PolarHBondContact O-N 3.1Å; V89-I128 HydrophobicContact CG1-CB 4.34Å; V89-I128 HydrophobicContact CG2-CB 4.48Å; V89-I128 HydrophobicContact CG2-CD1 4.31Å; V89-I130 HydrophobicContact CG1-CD1 4.28Å; V89-I130 HydrophobicContact CG1-CG1 4.42Å
90	H	98.7	Very high	92.1	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	93.6	-176.7	-174.2	29.4	0	0	0	111.7	T32 A92 S115 L118 L127 I128 Y129 I130	T32-H90 VanDerWaalsContact OG1-CA 3.3Å; T32-H90 WeakPolarHBondContact OG1-CA 3.34Å; T32-H90 PolarHBondContact OG1-ND1 3.06Å; H90-A92 PolarHBondContact CE1-O 2.98Å; H90-A92 VanDerWaalsContact CE1-O 3.31Å; H90-S115 PolarHBondContact NE2-OG 3.42Å; H90-L118 HydrophobicContact CB-CD2 3.69Å; H90-L118 VanDerWaalsContact CG-CD2 3.44Å; H90-L127 HydrophobicContact CB-CD1 4.02Å; H90-I128 PolarHBondContact N-O 2.77Å; H90-Y129 HydrophobicContact CB-CD2 4.46Å; H90-Y129 AromaticContact CD2-CD2 3.58Å; H90-Y129 AromaticContact CD2-CE2 3.86Å; H90-I130 WeakPolarHBondContact O-CG1 3.46Å; H90-I130 PolarHBondContact O-N 3.25Å
91	C	97.9	Very high	91.4	Very high	25 Å²	25	46.4 Å²	46.4	17%	0.169	23%	0.228	C	C	.	.			trans	-101.2	-10.4	179.5	-51.8	0	0	0	0	113.8	T32 V89 A93	T32-C91 WeakPolarHBondContact O-CA 3.48Å; T32-C91 VanDerWaalsContact O-CB 3.27Å; T32-C91 WeakPolarHBondContact O-CB 3.29Å; T32-C91 PolarHBondContact O-N 2.95Å; T32-C91 VanDerWaalsContact O-N 3.1Å; V89-C91 PolarHBondContact O-N 3.1Å; C91-A93 PolarHBondContact O-N 2.85Å
92	A	93.8	Very high	90.7	Very high	17 Å²	17	48.2 Å²	48.2	14%	0.14	24%	0.237	C	C	.	.			trans	-71.4	126.6	-179.1	0	0	0	0	0	111.3	T32 L70 H90	T32-A92 PolarHBondContact O-N 3.05Å; L70-A92 HydrophobicContact CD1-CB 3.36Å; H90-A92 PolarHBondContact CE1-O 2.98Å; H90-A92 VanDerWaalsContact CE1-O 3.31Å
93	A	90.5	Very high	90.1	Very high	33 Å²	33	47 Å²	47	27%	0.273	23%	0.227	S	C	.	.			trans	-162.1	154.1	173.6	0	0	0	0	0	110.1	C91 R95 N111	C91-A93 PolarHBondContact O-N 2.85Å; A93-R95 PolarHBondContact O-N 2.83Å; A93-N111 VanDerWaalsContact CA-OD1 3.27Å; A93-N111 WeakPolarHBondContact CA-OD1 3.46Å; A93-N111 WeakPolarHBondContact CB-OD1 3.09Å
94	E	88.1	Confident	89.6	Confident	37 Å²	37	48.6 Å²	48.6	17%	0.173	24%	0.238	C	C	.	.			trans	-80.1	110.3	155.9	-179.6	53	-100.7	0	0	107.7	R96 V99 V100 A107 L110 N111 Y155	E94-R96 WeakPolarHBondContact OE1-CB 3.27Å; E94-R96 IonicContact OE1-CZ 2.92Å; E94-R96 PolarHBondContact OE1-N 3.32Å; E94-R96 VanDerWaalsContact OE1-N 3.1Å; E94-R96 IonicContact OE1-NE 2.65Å; E94-R96 PolarHBondContact OE1-NE 2.86Å; E94-R96 IonicContact OE1-NH2 3.45Å; E94-R96 IonicContact OE2-CZ 3.47Å; E94-R96 IonicContact OE2-NE 3.93Å; E94-R96 IonicContact OE2-NH2 3.48Å; E94-R96 PolarHBondContact OE2-NH2 2.79Å; E94-V99 HydrophobicContact CG-CG1 4.2Å; E94-V100 HydrophobicContact CB-CG2 4.26Å; E94-V100 HydrophobicContact CG-CG2 3.69Å; E94-A107 HydrophobicContact CB-CB 4.42Å; E94-L110 HydrophobicContact CB-CD2 4.39Å; E94-N111 PolarHBondContact N-OD1 3.17Å; E94-N111 PolarHBondContact O-ND2 2.86Å; E94-Y155 WeakPolarHBondContact O-CD2 3.33Å
95	R	83.9	Confident	89.2	Confident	105 Å²	105	51.5 Å²	51.5	40%	0.396	25%	0.252	S	S	.	.			trans	-105.1	-5.2	-168.5	65	163.5	-178.4	77.4	7.6	114.2	A93 P97 Y155 E190	A93-R95 PolarHBondContact O-N 2.83Å; R95-P97 VanDerWaalsContact O-CD 3.28Å; R95-P97 WeakPolarHBondContact O-CD 3.19Å; R95-Y155 HydrophobicContact CB-CE2 4.27Å; R95-E190 VanDerWaalsContact CZ-O 3.31Å; R95-E190 PolarHBondContact NH2-O 2.85Å
96	R	82.8	Confident	88.7	Confident	122 Å²	122	54.5 Å²	54.5	46%	0.46	28%	0.277	S	S	.	.			trans	-90.4	106.8	-176	-65.4	169.5	-69.3	172.9	2.6	108	E94 D98 V99 V100	E94-R96 WeakPolarHBondContact OE1-CB 3.27Å; E94-R96 IonicContact OE1-CZ 2.92Å; E94-R96 PolarHBondContact OE1-N 3.32Å; E94-R96 VanDerWaalsContact OE1-N 3.1Å; E94-R96 IonicContact OE1-NE 2.65Å; E94-R96 PolarHBondContact OE1-NE 2.86Å; E94-R96 IonicContact OE1-NH2 3.45Å; E94-R96 IonicContact OE2-CZ 3.47Å; E94-R96 IonicContact OE2-NE 3.93Å; E94-R96 IonicContact OE2-NH2 3.48Å; E94-R96 PolarHBondContact OE2-NH2 2.79Å; R96-D98 VanDerWaalsContact C-N 3.25Å; R96-D98 PolarHBondContact O-N 3.31Å; R96-V99 HydrophobicContact CB-CB 3.84Å; R96-V99 HydrophobicContact CB-CG2 3.64Å; R96-V99 HydrophobicContact CG-CG2 4.43Å; R96-V99 WeakPolarHBondContact O-CB 3.41Å; R96-V99 PolarHBondContact O-N 3.17Å; R96-V100 WeakPolarHBondContact O-CG2 3.43Å; R96-V100 PolarHBondContact O-N 3.4Å
97	P	82.3	Confident	88.1	Confident	20 Å²	20	51.9 Å²	51.9	13%	0.13	27%	0.265	C	S	.	.	H	α-helix	trans	-55.8	-41.3	-173	-26.8	36.7	0	0	0	112.9	R95 V99 V100 E101 Y134 Y155 A284	R95-P97 VanDerWaalsContact O-CD 3.28Å; R95-P97 WeakPolarHBondContact O-CD 3.19Å; P97-V99 VanDerWaalsContact C-N 3.32Å; P97-V99 PolarHBondContact O-N 3.49Å; P97-V100 PolarHBondContact O-N 2.97Å; P97-E101 PolarHBondContact O-N 3.08Å; P97-Y134 HydrophobicContact CG-CD2 4.35Å; P97-Y134 HydrophobicContact CG-CE2 3.91Å; P97-Y155 HydrophobicContact CG-CD1 4.11Å; P97-Y155 HydrophobicContact CG-CG 4.35Å; P97-A284 HydrophobicContact CB-CB 3.72Å
98	D	81.8	Confident	87.7	Confident	59 Å²	59	54.9 Å²	54.9	32%	0.316	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-33.8	179.9	-50.8	-59.7	0	0	0	112.1	R96 Q102 A284 R286	R96-D98 VanDerWaalsContact C-N 3.25Å; R96-D98 PolarHBondContact O-N 3.31Å; D98-Q102 WeakPolarHBondContact O-CG 3.17Å; D98-Q102 PolarHBondContact O-N 3.18Å; D98-A284 PolarHBondContact OD1-N 3.06Å; D98-A284 VanDerWaalsContact OD1-N 3.1Å; D98-R286 IonicContact OD1-NH2 3.89Å; D98-R286 IonicContact OD2-NH2 3.11Å; D98-R286 PolarHBondContact OD2-NH2 3.25Å
99	V	80.9	Confident	87.2	Confident	32 Å²	32	58.2 Å²	58.2	19%	0.194	30%	0.299	C	S	.	.	H	α-helix	trans	-73.7	-37.6	174.9	179.2	0	0	0	0	111	E94 R96 P97 E101 Q102 H103	E94-V99 HydrophobicContact CG-CG1 4.2Å; R96-V99 HydrophobicContact CB-CB 3.84Å; R96-V99 HydrophobicContact CB-CG2 3.64Å; R96-V99 HydrophobicContact CG-CG2 4.43Å; R96-V99 WeakPolarHBondContact O-CB 3.41Å; R96-V99 PolarHBondContact O-N 3.17Å; P97-V99 VanDerWaalsContact C-N 3.32Å; P97-V99 PolarHBondContact O-N 3.49Å; V99-E101 VanDerWaalsContact C-N 3.34Å; V99-Q102 PolarHBondContact O-N 3.27Å; V99-H103 WeakPolarHBondContact O-CB 3.37Å; V99-H103 PolarHBondContact O-N 3.18Å
100	V	81.3	Confident	86.9	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-42.3	176	173.6	0	0	0	0	110.7	E94 R96 P97 Q102 H103 T104 A107 V154 Y155	E94-V100 HydrophobicContact CB-CG2 4.26Å; E94-V100 HydrophobicContact CG-CG2 3.69Å; R96-V100 WeakPolarHBondContact O-CG2 3.43Å; R96-V100 PolarHBondContact O-N 3.4Å; P97-V100 PolarHBondContact O-N 2.97Å; V100-Q102 VanDerWaalsContact C-N 3.35Å; V100-Q102 PolarHBondContact O-N 2.96Å; V100-H103 CarbonylContact O-C 3.58Å; V100-H103 PolarHBondContact O-N 2.68Å; V100-T104 WeakPolarHBondContact O-CA 3.26Å; V100-T104 PolarHBondContact O-N 3.43Å; V100-T104 VanDerWaalsContact O-N 3.08Å; V100-T104 PolarHBondContact O-OG1 2.96Å; V100-A107 HydrophobicContact CB-CB 4.1Å; V100-A107 HydrophobicContact CG1-CB 3.71Å; V100-A107 HydrophobicContact CG2-CB 3.87Å; V100-V154 HydrophobicContact CG1-CB 3.91Å; V100-V154 HydrophobicContact CG1-CG1 3.58Å; V100-Y155 HydrophobicContact CG2-CD2 4.31Å
101	E	83.1	Confident	86.6	Confident	77 Å²	77	60.4 Å²	60.4	36%	0.36	31%	0.31	S	S	.	.	H	α-helix	trans	-62.2	-42.3	175.9	-73.1	-175.9	178.1	0	0	111.7	P97 V99 T104 V154 A284	P97-E101 PolarHBondContact O-N 3.08Å; V99-E101 VanDerWaalsContact C-N 3.34Å; E101-T104 PolarHBondContact O-OG1 3.48Å; E101-V154 HydrophobicContact CG-CB 4.17Å; E101-V154 HydrophobicContact CG-CG2 3.95Å; E101-A284 VanDerWaalsContact CD-CB 3.49Å; E101-A284 HydrophobicContact CG-CB 4.47Å; E101-A284 VanDerWaalsContact OE1-CA 3.3Å; E101-A284 WeakPolarHBondContact OE1-CA 3.32Å; E101-A284 WeakPolarHBondContact OE1-CB 3.36Å
102	Q	79.6	Confident	86.4	Confident	148 Å²	148	59.9 Å²	59.9	69%	0.692	31%	0.306	S	S	*	.	H	α-helix	trans	-71.3	-31.6	178.2	-69.6	174.4	-0.6	0	0	114	D98 V99 V100	D98-Q102 WeakPolarHBondContact O-CG 3.17Å; D98-Q102 PolarHBondContact O-N 3.18Å; V99-Q102 PolarHBondContact O-N 3.27Å; V100-Q102 VanDerWaalsContact C-N 3.35Å; V100-Q102 PolarHBondContact O-N 2.96Å
103	H	84.4	Confident	86.3	Confident	116 Å²	116	64.6 Å²	64.6	54%	0.537	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	53.7	-174.4	-60.6	-60.6	0	0	0	112	V99 V100 E105 A106 A107	V99-H103 WeakPolarHBondContact O-CB 3.37Å; V99-H103 PolarHBondContact O-N 3.18Å; V100-H103 CarbonylContact O-C 3.58Å; V100-H103 PolarHBondContact O-N 2.68Å; H103-E105 PolarHBondContact O-N 3.44Å; H103-A106 PolarHBondContact O-N 3.45Å; H103-A107 WeakPolarHBondContact O-CB 3.45Å; H103-A107 PolarHBondContact O-N 2.91Å
104	T	85.2	Confident	86.5	Confident	56 Å²	56	63.1 Å²	63.1	34%	0.344	31%	0.313	S	S	.	.	H	α-helix	trans	-55.6	-46.4	-170.3	-65	0	0	0	0	113	V100 E101 A107 L108 V154	V100-T104 WeakPolarHBondContact O-CA 3.26Å; V100-T104 PolarHBondContact O-N 3.43Å; V100-T104 VanDerWaalsContact O-N 3.08Å; V100-T104 PolarHBondContact O-OG1 2.96Å; E101-T104 PolarHBondContact O-OG1 3.48Å; T104-A107 PolarHBondContact O-N 3.02Å; T104-L108 HydrophobicContact CG2-CD1 3.8Å; T104-L108 HydrophobicContact CG2-CG 4.18Å; T104-L108 WeakPolarHBondContact O-CB 3.14Å; T104-L108 VanDerWaalsContact O-CG 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.41Å; T104-L108 PolarHBondContact O-N 3.47Å; T104-V154 HydrophobicContact CG2-CG1 4.02Å
105	E	88.3	Confident	86.9	Confident	170 Å²	170	61.4 Å²	61.4	79%	0.794	31%	0.305	S	S	*	.	H	α-helix	trans	-62.9	-48	-176.8	-173.4	179.9	-172.8	0	0	112.5	H103 A107 L108 N109	H103-E105 PolarHBondContact O-N 3.44Å; E105-A107 VanDerWaalsContact C-N 3.3Å; E105-A107 PolarHBondContact O-N 2.94Å; E105-L108 PolarHBondContact O-N 3.21Å; E105-N109 WeakPolarHBondContact O-CB 3.15Å; E105-N109 PolarHBondContact O-N 3.45Å
106	A	85.6	Confident	87.5	Confident	67 Å²	67	56.5 Å²	56.5	55%	0.554	29%	0.287	S	S	*	.	H	α-helix	trans	-63.1	-38.4	177.6	0	0	0	0	0	111.8	H103 N109 L110	H103-A106 PolarHBondContact O-N 3.45Å; A106-N109 PolarHBondContact O-N 3.36Å; A106-L110 PolarHBondContact O-N 2.78Å
107	A	85.7	Confident	88.1	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-67.4	-40	176.1	0	0	0	0	0	112.3	E94 V100 H103 T104 E105 L110 N111	E94-A107 HydrophobicContact CB-CB 4.42Å; V100-A107 HydrophobicContact CB-CB 4.1Å; V100-A107 HydrophobicContact CG1-CB 3.71Å; V100-A107 HydrophobicContact CG2-CB 3.87Å; H103-A107 WeakPolarHBondContact O-CB 3.45Å; H103-A107 PolarHBondContact O-N 2.91Å; T104-A107 PolarHBondContact O-N 3.02Å; E105-A107 VanDerWaalsContact C-N 3.3Å; E105-A107 PolarHBondContact O-N 2.94Å; A107-L110 PolarHBondContact O-N 2.97Å; A107-N111 WeakPolarHBondContact O-CB 3.46Å; A107-N111 VanDerWaalsContact O-CG 3.32Å; A107-N111 PolarHBondContact O-N 2.92Å
108	L	89.4	Confident	88.8	Confident	63 Å²	63	50.4 Å²	50.4	33%	0.33	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-40.6	174.1	-71.1	175.3	0	0	0	111.4	T104 E105 L110 V112 H113	T104-L108 HydrophobicContact CG2-CD1 3.8Å; T104-L108 HydrophobicContact CG2-CG 4.18Å; T104-L108 WeakPolarHBondContact O-CB 3.14Å; T104-L108 VanDerWaalsContact O-CG 3.31Å; T104-L108 WeakPolarHBondContact O-CG 3.41Å; T104-L108 PolarHBondContact O-N 3.47Å; E105-L108 PolarHBondContact O-N 3.21Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.46Å; L108-V112 HydrophobicContact CD2-CG2 3.91Å; L108-V112 WeakPolarHBondContact O-CA 3.47Å; L108-V112 VanDerWaalsContact O-CB 3.27Å; L108-V112 WeakPolarHBondContact O-CB 3.48Å; L108-V112 PolarHBondContact O-N 3.46Å; L108-H113 PolarHBondContact O-N 2.75Å
109	N	90	Very high	89.5	Confident	69 Å²	69	47.6 Å²	47.6	37%	0.369	25%	0.248	S	C	.	.	I	π-helix	trans	-60	-43.4	176	-163.5	30.3	0	0	0	112.2	E105 A106 H113 A114	E105-N109 WeakPolarHBondContact O-CB 3.15Å; E105-N109 PolarHBondContact O-N 3.45Å; A106-N109 PolarHBondContact O-N 3.36Å; N109-H113 WeakPolarHBondContact O-CB 3.4Å; N109-H113 PolarHBondContact O-N 2.87Å; N109-A114 PolarHBondContact O-N 3.41Å
110	L	91	Very high	90.2	Very high	48 Å²	48	50.9 Å²	50.9	25%	0.251	26%	0.26	S	S	.	.	I	π-helix	trans	-77.3	-45.8	177.9	-176.7	61.4	0	0	0	113.5	L70 E94 A106 A107 L108 A114	L70-L110 HydrophobicContact CB-CD1 4.49Å; E94-L110 HydrophobicContact CB-CD2 4.39Å; A106-L110 PolarHBondContact O-N 2.78Å; A107-L110 PolarHBondContact O-N 2.97Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.46Å; L110-A114 WeakPolarHBondContact O-CB 3.33Å
111	N	92.4	Very high	90.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	I	π-helix	trans	-82.8	-27.2	-171.2	-67.5	-6.6	0	0	0	113	A93 E94 A107 S115 S158	A93-N111 VanDerWaalsContact CA-OD1 3.27Å; A93-N111 WeakPolarHBondContact CA-OD1 3.46Å; A93-N111 WeakPolarHBondContact CB-OD1 3.09Å; E94-N111 PolarHBondContact N-OD1 3.17Å; E94-N111 PolarHBondContact O-ND2 2.86Å; A107-N111 WeakPolarHBondContact O-CB 3.46Å; A107-N111 VanDerWaalsContact O-CG 3.32Å; A107-N111 PolarHBondContact O-N 2.92Å; N111-S115 WeakPolarHBondContact O-CB 3.29Å; N111-S115 PolarHBondContact O-OG 2.65Å; N111-S158 PolarHBondContact ND2-OG 2.95Å; N111-S158 VanDerWaalsContact ND2-OG 3.08Å
112	V	93.8	Very high	91.4	Very high	15 Å²	15	49.3 Å²	49.3	9%	0.091	25%	0.252	C	S	.	.	I	π-helix	trans	-110.3	-62.9	-176.1	-172.1	0	0	0	0	110.7	L108 S115 G116 S158 E161 E165	L108-V112 HydrophobicContact CD2-CG2 3.91Å; L108-V112 WeakPolarHBondContact O-CA 3.47Å; L108-V112 VanDerWaalsContact O-CB 3.27Å; L108-V112 WeakPolarHBondContact O-CB 3.48Å; L108-V112 PolarHBondContact O-N 3.46Å; V112-S115 WeakPolarHBondContact O-CB 3.35Å; V112-S115 PolarHBondContact O-N 3.14Å; V112-G116 PolarHBondContact O-N 2.81Å; V112-S158 WeakPolarHBondContact CG2-O 3.45Å; V112-E161 HydrophobicContact CG1-CB 4Å; V112-E161 HydrophobicContact CG2-CB 3.91Å; V112-E165 HydrophobicContact CG1-CG 3.95Å
113	H	92.6	Very high	91.9	Very high	115 Å²	115	46 Å²	46	53%	0.532	25%	0.25	S	C	.	.	I	π-helix	trans	-65.1	-50.6	-172.1	-67	-62.1	0	0	0	111.8	L108 N109 S115 G116 T117	L108-H113 PolarHBondContact O-N 2.75Å; N109-H113 WeakPolarHBondContact O-CB 3.4Å; N109-H113 PolarHBondContact O-N 2.87Å; H113-S115 VanDerWaalsContact C-N 3.29Å; H113-S115 PolarHBondContact O-N 3.41Å; H113-G116 PolarHBondContact O-N 3.06Å; H113-G116 VanDerWaalsContact O-N 3.14Å; H113-T117 PolarHBondContact O-N 3.47Å; H113-T117 PolarHBondContact O-OG1 3.45Å
114	A	94.3	Very high	92.1	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-36	176.7	0	0	0	0	0	112.8	L70 N109 L110 T117 L118	L70-A114 HydrophobicContact CB-CB 3.98Å; L70-A114 VanDerWaalsContact O-CB 3.26Å; L70-A114 WeakPolarHBondContact O-CB 3.45Å; N109-A114 PolarHBondContact O-N 3.41Å; L110-A114 WeakPolarHBondContact O-CB 3.33Å; A114-T117 PolarHBondContact O-N 3.4Å; A114-L118 VanDerWaalsContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.25Å; A114-L118 PolarHBondContact O-N 2.88Å
115	S	96.7	Very high	92.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-43.5	173.9	-57.9	0	0	0	0	111.9	H90 N111 V112 H113 L118 A119	H90-S115 PolarHBondContact NE2-OG 3.42Å; N111-S115 WeakPolarHBondContact O-CB 3.29Å; N111-S115 PolarHBondContact O-OG 2.65Å; V112-S115 WeakPolarHBondContact O-CB 3.35Å; V112-S115 PolarHBondContact O-N 3.14Å; H113-S115 VanDerWaalsContact C-N 3.29Å; H113-S115 PolarHBondContact O-N 3.41Å; S115-L118 PolarHBondContact O-N 3.16Å; S115-A119 WeakPolarHBondContact O-CB 3.46Å; S115-A119 PolarHBondContact O-N 3.18Å
116	G	96.2	Very high	93.2	Very high	2 Å²	2	35.8 Å²	35.8	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-44.5	176.7	0	0	0	0	0	112.4	V112 H113 A119 K120	V112-G116 PolarHBondContact O-N 2.81Å; H113-G116 PolarHBondContact O-N 3.06Å; H113-G116 VanDerWaalsContact O-N 3.14Å; G116-A119 PolarHBondContact O-N 2.67Å; G116-K120 WeakPolarHBondContact O-CG 3.08Å; G116-K120 PolarHBondContact O-N 3.34Å
117	T	95.3	Very high	93.8	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.067	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-47	174.4	-62.5	0	0	0	0	111.1	E73 H113 A114 A119 K120 E121	E73-T117 HydrophobicContact CB-CG2 3.82Å; E73-T117 HydrophobicContact CG-CG2 3.64Å; E73-T117 PolarHBondContact OE1-OG1 2.98Å; H113-T117 PolarHBondContact O-N 3.47Å; H113-T117 PolarHBondContact O-OG1 3.45Å; A114-T117 PolarHBondContact O-N 3.4Å; T117-A119 VanDerWaalsContact C-N 3.28Å; T117-A119 PolarHBondContact O-N 2.73Å; T117-K120 WeakPolarHBondContact O-CB 3.37Å; T117-K120 PolarHBondContact O-N 3.2Å; T117-K120 VanDerWaalsContact O-N 3.16Å; T117-E121 WeakPolarHBondContact O-CG 3.45Å; T117-E121 PolarHBondContact O-N 3.47Å
118	L	96.5	Very high	94.4	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-40.1	175.9	-172.1	70.3	0	0	0	111.8	T32 V76 I80 I88 H90 A114 S115 E121 A122 L127	T32-L118 HydrophobicContact CG2-CD1 4.45Å; T32-L118 HydrophobicContact CG2-CD2 4.16Å; V76-L118 HydrophobicContact CG1-CD1 3.74Å; I80-L118 HydrophobicContact CD1-CD1 3.92Å; I88-L118 HydrophobicContact CG2-CD1 4.47Å; I88-L118 HydrophobicContact CG2-CD2 4.03Å; I88-L118 HydrophobicContact CG2-CG 4.45Å; H90-L118 HydrophobicContact CB-CD2 3.69Å; H90-L118 VanDerWaalsContact CG-CD2 3.44Å; A114-L118 VanDerWaalsContact O-CB 3.3Å; A114-L118 WeakPolarHBondContact O-CB 3.25Å; A114-L118 PolarHBondContact O-N 2.88Å; S115-L118 PolarHBondContact O-N 3.16Å; L118-E121 PolarHBondContact O-N 2.89Å; L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-A122 PolarHBondContact O-N 3.36Å; L118-L127 HydrophobicContact CD2-CD1 4.24Å
119	A	97.4	Very high	94.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-35.1	177.4	0	0	0	0	0	113.4	S115 G116 T117 A122 L127 V166 H169	S115-A119 WeakPolarHBondContact O-CB 3.46Å; S115-A119 PolarHBondContact O-N 3.18Å; G116-A119 PolarHBondContact O-N 2.67Å; T117-A119 VanDerWaalsContact C-N 3.28Å; T117-A119 PolarHBondContact O-N 2.73Å; A119-A122 PolarHBondContact O-N 2.9Å; A119-L127 HydrophobicContact CB-CD2 3.78Å; A119-V166 HydrophobicContact CB-CB 4.32Å; A119-V166 HydrophobicContact CB-CG1 4.43Å; A119-V166 HydrophobicContact CB-CG2 4.2Å; A119-H169 HydrophobicContact CB-CB 3.85Å
120	K	96.3	Very high	95.3	Very high	101 Å²	101	26.8 Å²	26.8	44%	0.439	17%	0.167	S	C	.	.	H	α-helix	trans	-64	-47.2	172.6	-68.1	169.5	-169.3	167.6	0	111.2	G116 T117 A122 A123 H169	G116-K120 WeakPolarHBondContact O-CG 3.08Å; G116-K120 PolarHBondContact O-N 3.34Å; T117-K120 WeakPolarHBondContact O-CB 3.37Å; T117-K120 PolarHBondContact O-N 3.2Å; T117-K120 VanDerWaalsContact O-N 3.16Å; K120-A122 VanDerWaalsContact C-N 3.26Å; K120-A122 PolarHBondContact O-N 3.15Å; K120-A123 PolarHBondContact O-N 2.9Å; K120-H169 WeakPolarHBondContact CE-CE1 3.48Å; K120-H169 WeakPolarHBondContact CE-NE2 3.39Å; K120-H169 HydrophobicContact CG-CB 3.97Å
121	E	95.6	Very high	95.6	Very high	45 Å²	45	24.6 Å²	24.6	21%	0.21	16%	0.156	C	C	.	.	H	α-helix	trans	-72.5	-21.4	-179.1	-61.8	-65.4	161	0	0	112.1	V76 R77 I80 T117 L118 A123	V76-E121 HydrophobicContact CG1-CB 4.43Å; V76-E121 HydrophobicContact CG1-CG 4.34Å; R77-E121 WeakPolarHBondContact CG-OE2 3.45Å; R77-E121 IonicContact CZ-OE1 3.34Å; R77-E121 IonicContact NE-OE1 2.98Å; R77-E121 PolarHBondContact NE-OE1 3.47Å; R77-E121 IonicContact NE-OE2 3.5Å; R77-E121 IonicContact NH2-OE1 2.83Å; R77-E121 PolarHBondContact NH2-OE1 2.76Å; I80-E121 HydrophobicContact CD1-CB 3.63Å; T117-E121 WeakPolarHBondContact O-CG 3.45Å; T117-E121 PolarHBondContact O-N 3.47Å; L118-E121 PolarHBondContact O-N 2.89Å; E121-A123 PolarHBondContact O-N 3.07Å; E121-A123 VanDerWaalsContact O-N 3.16Å
122	A	94.3	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	18.1	174.5	0	0	0	0	0	114	I88 L118 A119 K120 G124 I125 L127	I88-A122 HydrophobicContact CD1-CB 3.76Å; L118-A122 WeakPolarHBondContact O-CB 3.48Å; L118-A122 PolarHBondContact O-N 3.36Å; A119-A122 PolarHBondContact O-N 2.9Å; K120-A122 VanDerWaalsContact C-N 3.26Å; K120-A122 PolarHBondContact O-N 3.15Å; A122-G124 PolarHBondContact O-N 2.87Å; A122-I125 HydrophobicContact CB-CB 4.32Å; A122-I125 WeakPolarHBondContact O-CA 3.28Å; A122-I125 WeakPolarHBondContact O-CB 3.45Å; A122-I125 PolarHBondContact O-N 3.29Å; A122-I125 VanDerWaalsContact O-O 3.11Å; A122-L127 HydrophobicContact CB-CB 4.2Å; A122-L127 HydrophobicContact CB-CD2 4.3Å
123	A	89	Confident	96.1	Very high	78 Å²	78	24.9 Å²	24.9	65%	0.645	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	122.7	178.8	0	0	0	0	0	111.1	K120 E121 I125	K120-A123 PolarHBondContact O-N 2.9Å; E121-A123 PolarHBondContact O-N 3.07Å; E121-A123 VanDerWaalsContact O-N 3.16Å; A123-I125 PolarHBondContact O-N 2.87Å
124	G	88.9	Confident	96.4	Very high	94 Å²	94	20.3 Å²	20.3	97%	0.969	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	-3.4	-175.6	0	0	0	0	0	115.1	A122	A122-G124 PolarHBondContact O-N 2.87Å
125	I	97	Very high	96.6	Very high	26 Å²	26	20.2 Å²	20.2	13%	0.133	13%	0.134	C	C	.	.	S	Bend	trans	-102.7	139.4	177.8	-57.7	163.4	0	0	0	108.6	I80 P85 I88 A122 A123 L127	I80-I125 HydrophobicContact CG2-CD1 3.54Å; P85-I125 HydrophobicContact CG-CD1 4.07Å; P85-I125 HydrophobicContact CG-CG2 4.31Å; P85-I125 WeakPolarHBondContact O-CG1 3.5Å; P85-I125 WeakPolarHBondContact O-CG2 3.45Å; I88-I125 HydrophobicContact CD1-CB 4.36Å; I88-I125 HydrophobicContact CD1-CD1 4.22Å; I88-I125 HydrophobicContact CD1-CG2 3.77Å; I88-I125 HydrophobicContact CG1-CG2 3.78Å; A122-I125 HydrophobicContact CB-CB 4.32Å; A122-I125 WeakPolarHBondContact O-CA 3.28Å; A122-I125 WeakPolarHBondContact O-CB 3.45Å; A122-I125 PolarHBondContact O-N 3.29Å; A122-I125 VanDerWaalsContact O-O 3.11Å; A123-I125 PolarHBondContact O-N 2.87Å; I125-L127 PolarHBondContact O-N 3.1Å; I125-L127 VanDerWaalsContact O-N 3.17Å
126	F	98.5	Very high	96.7	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.035	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	110.6	175.1	178.3	-134	0	0	0	110.8	H86 V87 I88 I128 A174 M230 R234 I240	H86-F126 PolarHBondContact O-N 3.21Å; H86-F126 VanDerWaalsContact O-N 3.17Å; V87-F126 CarbonylContact C-O 3.53Å; V87-F126 VanDerWaalsContact CA-O 3.28Å; V87-F126 WeakPolarHBondContact CA-O 3.49Å; V87-F126 HydrophobicContact CG1-CD1 4.07Å; V87-F126 HydrophobicContact CG2-CB 4.29Å; V87-F126 HydrophobicContact CG2-CD1 4.22Å; I88-F126 PolarHBondContact N-O 2.73Å; F126-I128 HydrophobicContact CD1-CD1 4.31Å; F126-I128 HydrophobicContact CD1-CG1 4.01Å; F126-I128 HydrophobicContact CE1-CD1 3.66Å; F126-I128 HydrophobicContact CE1-CG1 3.48Å; F126-I128 VanDerWaalsContact CE1-CG1 3.48Å; F126-I128 HydrophobicContact CZ-CD1 4.28Å; F126-I128 HydrophobicContact CZ-CG1 3.78Å; F126-A174 HydrophobicContact CE2-CB 3.72Å; F126-A174 HydrophobicContact CZ-CB 3.67Å; F126-M230 HydrophobicContact CE1-CB 4.41Å; F126-R234 HydrophobicContact CB-CG 3.85Å; F126-R234 HydrophobicContact CD1-CB 3.69Å; F126-R234 HydrophobicContact CD1-CG 3.66Å; F126-R234 HydrophobicContact CD2-CB 4.37Å; F126-R234 HydrophobicContact CD2-CG 3.6Å; F126-R234 HydrophobicContact CE1-CB 3.68Å; F126-R234 HydrophobicContact CE1-CG 3.98Å; F126-R234 HydrophobicContact CE2-CB 4.37Å; F126-R234 HydrophobicContact CE2-CG 3.93Å; F126-R234 HydrophobicContact CG-CB 4.04Å; F126-R234 HydrophobicContact CG-CG 3.45Å; F126-R234 VanDerWaalsContact CG-CG 3.45Å; F126-R234 HydrophobicContact CZ-CB 4.03Å; F126-R234 HydrophobicContact CZ-CG 4.1Å; F126-I240 WeakPolarHBondContact CE2-O 3.44Å; F126-I240 HydrophobicContact CZ-CG2 4.16Å
127	L	98.8	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.5	176.8	175.6	59.3	0	0	0	110.6	I88 H90 L118 A119 A122 I125 V166 A173 A174	I88-L127 HydrophobicContact CB-CD1 3.89Å; I88-L127 HydrophobicContact CG2-CD1 3.66Å; I88-L127 CarbonylContact O-C 3.55Å; I88-L127 WeakPolarHBondContact O-CA 3.45Å; H90-L127 HydrophobicContact CB-CD1 4.02Å; L118-L127 HydrophobicContact CD2-CD1 4.24Å; A119-L127 HydrophobicContact CB-CD2 3.78Å; A122-L127 HydrophobicContact CB-CB 4.2Å; A122-L127 HydrophobicContact CB-CD2 4.3Å; I125-L127 PolarHBondContact O-N 3.1Å; I125-L127 VanDerWaalsContact O-N 3.17Å; L127-V166 HydrophobicContact CD2-CG1 3.81Å; L127-V166 HydrophobicContact CD2-CG2 4.42Å; L127-V166 HydrophobicContact CG-CG1 4.42Å; L127-A173 HydrophobicContact CB-CB 4.01Å; L127-A173 HydrophobicContact CG-CB 4.39Å; L127-A173 CarbonylContact O-C 3.53Å; L127-A173 VanDerWaalsContact O-CA 3.3Å; L127-A173 WeakPolarHBondContact O-CA 3.29Å; L127-A173 WeakPolarHBondContact O-CB 3.44Å; L127-A174 PolarHBondContact O-N 3.45Å
128	I	98.9	Very high	96.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	110.1	166.4	-53.7	178.4	0	0	0	107.9	V87 I88 V89 H90 F126 I130 A174 L176 C227 M230	V87-I128 HydrophobicContact CG1-CD1 4.48Å; I88-I128 PolarHBondContact O-N 3.45Å; V89-I128 HydrophobicContact CG1-CB 4.34Å; V89-I128 HydrophobicContact CG2-CB 4.48Å; V89-I128 HydrophobicContact CG2-CD1 4.31Å; H90-I128 PolarHBondContact N-O 2.77Å; F126-I128 HydrophobicContact CD1-CD1 4.31Å; F126-I128 HydrophobicContact CD1-CG1 4.01Å; F126-I128 HydrophobicContact CE1-CD1 3.66Å; F126-I128 HydrophobicContact CE1-CG1 3.48Å; F126-I128 VanDerWaalsContact CE1-CG1 3.48Å; F126-I128 HydrophobicContact CZ-CD1 4.28Å; F126-I128 HydrophobicContact CZ-CG1 3.78Å; I128-I130 HydrophobicContact CG2-CD1 4.21Å; I128-A174 CarbonylContact C-O 3.43Å; I128-A174 WeakPolarHBondContact CA-O 3.44Å; I128-L176 HydrophobicContact CG2-CB 4.27Å; I128-C227 HydrophobicContact CD1-CB 4.33Å; I128-C227 WeakPolarHBondContact CD1-O 3.48Å; I128-M230 HydrophobicContact CD1-CB 4.13Å
129	Y	98.8	Very high	96.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.1	174.6	174.9	-112.6	0	0	0	110.7	H90 S131 K159 E163 V166 A174 V175 L176	H90-Y129 HydrophobicContact CB-CD2 4.46Å; H90-Y129 AromaticContact CD2-CD2 3.58Å; H90-Y129 AromaticContact CD2-CE2 3.86Å; Y129-S131 PolarHBondContact O-N 2.81Å; Y129-K159 VanDerWaalsContact OH-CE 3.25Å; Y129-K159 WeakPolarHBondContact OH-CE 3.41Å; Y129-K159 PolarHBondContact OH-NZ 3.2Å; Y129-K159 PolarHBondContact OH-O 3.26Å; Y129-E163 HydrophobicContact CD1-CG 4.11Å; Y129-E163 HydrophobicContact CE1-CB 4.36Å; Y129-E163 HydrophobicContact CE1-CG 3.7Å; Y129-V166 HydrophobicContact CD1-CG2 4.47Å; Y129-V166 HydrophobicContact CD2-CG2 3.99Å; Y129-V166 HydrophobicContact CE2-CG2 4.46Å; Y129-V166 HydrophobicContact CG-CG2 3.96Å; Y129-A174 PolarHBondContact N-O 3.45Å; Y129-V175 HydrophobicContact CD1-CG1 4.18Å; Y129-V175 HydrophobicContact CD1-CG2 4.12Å; Y129-V175 CarbonylContact O-C 3.56Å; Y129-V175 WeakPolarHBondContact O-CA 3.37Å; Y129-L176 PolarHBondContact O-N 2.81Å
130	I	98.8	Very high	96.7	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.2	175.7	-53.3	-57.4	0	0	0	109.3	L38 V89 H90 I128 K159 L176 V178	L38-I130 HydrophobicContact CD2-CB 4.3Å; L38-I130 HydrophobicContact CD2-CD1 4.17Å; L38-I130 HydrophobicContact CD2-CG1 3.83Å; L38-I130 HydrophobicContact CD2-CG2 3.67Å; V89-I130 HydrophobicContact CG1-CD1 4.28Å; V89-I130 HydrophobicContact CG1-CG1 4.42Å; H90-I130 WeakPolarHBondContact O-CG1 3.46Å; H90-I130 PolarHBondContact O-N 3.25Å; I128-I130 HydrophobicContact CG2-CD1 4.21Å; I130-K159 VanDerWaalsContact O-CE 3.29Å; I130-K159 WeakPolarHBondContact O-CE 3.37Å; I130-K159 PolarHBondContact O-NZ 3.08Å; I130-L176 HydrophobicContact CD1-CB 4.23Å; I130-L176 HydrophobicContact CD1-CD2 4.12Å; I130-V178 HydrophobicContact CG2-CG2 3.91Å
131	S	98.6	Very high	96.7	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-161.5	176	-165.8	0	0	0	0	111.1	Y129 E163 L176 V178	Y129-S131 PolarHBondContact O-N 2.81Å; S131-E163 WeakPolarHBondContact CB-OE1 3.3Å; S131-E163 PolarHBondContact OG-OE1 3.2Å; S131-L176 PolarHBondContact N-O 3.35Å; S131-V178 WeakPolarHBondContact O-CG2 3.45Å; S131-V178 PolarHBondContact O-N 2.96Å
132	T	98.4	Very high	96.8	Very high	7 Å²	7	33.2 Å²	33.2	4%	0.043	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	152.1	-168	-175	0	0	0	0	112.1	Y134 V135 Y155 K159 V178	T132-Y134 PolarHBondContact O-N 2.99Å; T132-Y134 PolarHBondContact OG1-N 3.39Å; T132-V135 HydrophobicContact CG2-CG1 4.08Å; T132-V135 WeakPolarHBondContact O-CG1 3.49Å; T132-V135 WeakPolarHBondContact O-CG2 3.28Å; T132-Y155 HydrophobicContact CG2-CE1 3.8Å; T132-K159 HydrophobicContact CG2-CB 3.66Å; T132-K159 HydrophobicContact CG2-CG 3.73Å; T132-V178 CarbonylContact C-O 3.59Å; T132-V178 VanDerWaalsContact CA-O 3.27Å; T132-V178 WeakPolarHBondContact CA-O 3.34Å
133	D	98.2	Very high	97	Very high	14 Å²	14	33.7 Å²	33.7	8%	0.075	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-61.4	-20.9	164.2	64.3	-26.1	0	0	0	113.8	V135 F136 V178 P179 A290 L292	D133-V135 PolarHBondContact O-N 3.01Å; D133-F136 PolarHBondContact O-N 2.75Å; D133-V178 PolarHBondContact N-O 3.33Å; D133-P179 HydrophobicContact CB-CB 4.23Å; D133-P179 VanDerWaalsContact CG-CA 3.46Å; D133-P179 WeakPolarHBondContact OD2-CB 3.5Å; D133-A290 HydrophobicContact CB-CB 3.94Å; D133-L292 HydrophobicContact CB-CD1 4.24Å; D133-L292 HydrophobicContact CB-CD2 4Å; D133-L292 HydrophobicContact CB-CG 4.16Å
134	Y	97.8	Very high	97.4	Very high	19 Å²	19	30.4 Å²	30.4	8%	0.075	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-66.7	-2.5	177.9	-84.5	34.9	0	0	0	114.2	P97 T132 F136 P151 N153 Y155 G156 R286 P287	P97-Y134 HydrophobicContact CG-CD2 4.35Å; P97-Y134 HydrophobicContact CG-CE2 3.91Å; T132-Y134 PolarHBondContact O-N 2.99Å; T132-Y134 PolarHBondContact OG1-N 3.39Å; Y134-F136 PolarHBondContact O-N 3.2Å; Y134-P151 WeakPolarHBondContact O-CB 3.31Å; Y134-N153 WeakPolarHBondContact CD2-ND2 3.45Å; Y134-Y155 AromaticContact CD2-CD1 3.7Å; Y134-Y155 HydrophobicContact CD2-CD1 3.7Å; Y134-Y155 HydrophobicContact CD2-CE1 4.09Å; Y134-Y155 HydrophobicContact CG-CD1 4.15Å; Y134-Y155 HydrophobicContact CG-CE1 4.17Å; Y134-G156 WeakPolarHBondContact O-CA 3.3Å; Y134-R286 HydrophobicContact CE2-CG 4.23Å; Y134-R286 WeakPolarHBondContact OH-CG 3.1Å; Y134-P287 HydrophobicContact CD1-CG 4Å; Y134-P287 HydrophobicContact CE1-CG 3.97Å
135	V	98.4	Very high	97.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-70.3	-15.4	166.9	-56.1	0	0	0	0	112.2	T132 D133 P149 N150 P151 K159 L160	T132-V135 HydrophobicContact CG2-CG1 4.08Å; T132-V135 WeakPolarHBondContact O-CG1 3.49Å; T132-V135 WeakPolarHBondContact O-CG2 3.28Å; D133-V135 PolarHBondContact O-N 3.01Å; V135-P149 HydrophobicContact CB-CB 4.13Å; V135-P149 HydrophobicContact CG2-CB 4.38Å; V135-P149 CarbonylContact O-C 3.52Å; V135-P149 WeakPolarHBondContact O-CA 3.47Å; V135-P149 VanDerWaalsContact O-CB 3.28Å; V135-P149 WeakPolarHBondContact O-CB 3.46Å; V135-N150 CarbonylContact O-C 3.52Å; V135-N150 PolarHBondContact O-N 2.86Å; V135-P151 WeakPolarHBondContact O-CD 3.25Å; V135-K159 HydrophobicContact CG1-CB 4.5Å; V135-L160 HydrophobicContact CG1-CB 4.1Å
136	F	98.6	Very high	97.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-104	154.6	178	-59.5	-63.9	0	0	0	112.3	D133 Y134 Y143 D147 N150 H245 L292	D133-F136 PolarHBondContact O-N 2.75Å; Y134-F136 PolarHBondContact O-N 3.2Å; F136-Y143 HydrophobicContact CB-CD1 4Å; F136-Y143 HydrophobicContact CB-CD2 4.05Å; F136-Y143 HydrophobicContact CB-CE1 3.85Å; F136-Y143 HydrophobicContact CB-CE2 3.95Å; F136-Y143 HydrophobicContact CB-CG 4.08Å; F136-Y143 AromaticContact CD1-CD1 3.23Å; F136-Y143 HydrophobicContact CD1-CD1 3.23Å; F136-Y143 AromaticContact CD1-CE1 3.65Å; F136-Y143 HydrophobicContact CD1-CE1 3.65Å; F136-Y143 AromaticContact CD1-CG 3.73Å; F136-Y143 HydrophobicContact CD1-CG 3.73Å; F136-Y143 HydrophobicContact CD2-CD1 4.19Å; F136-Y143 HydrophobicContact CD2-CD2 4.19Å; F136-Y143 AromaticContact CD2-CG 3.8Å; F136-Y143 HydrophobicContact CD2-CG 3.8Å; F136-Y143 AromaticContact CE1-CD1 3.56Å; F136-Y143 HydrophobicContact CE1-CD1 3.56Å; F136-Y143 HydrophobicContact CE1-CE1 4.38Å; F136-Y143 AromaticContact CE1-CG 3.98Å; F136-Y143 HydrophobicContact CE1-CG 3.98Å; F136-Y143 HydrophobicContact CE2-CD1 4.46Å; F136-Y143 HydrophobicContact CE2-CG 4.05Å; F136-Y143 AromaticContact CG-CD1 3.56Å; F136-Y143 HydrophobicContact CG-CD1 3.56Å; F136-Y143 HydrophobicContact CG-CD2 4.03Å; F136-Y143 AromaticContact CG-CE1 3.92Å; F136-Y143 HydrophobicContact CG-CE1 3.92Å; F136-Y143 HydrophobicContact CG-CE2 4.4Å; F136-Y143 AromaticContact CG-CG 3.61Å; F136-Y143 HydrophobicContact CG-CG 3.61Å; F136-Y143 HydrophobicContact CZ-CD1 4.14Å; F136-Y143 HydrophobicContact CZ-CG 4.1Å; F136-D147 HydrophobicContact CE1-CB 4.17Å; F136-N150 CarbonylContact C-O 3.49Å; F136-H245 AromaticContact CE2-CE1 3.79Å; F136-H245 AromaticContact CZ-CE1 3.88Å; F136-L292 HydrophobicContact CD2-CD2 3.87Å; F136-L292 HydrophobicContact CE2-CD2 3.61Å
137	D	97.2	Very high	97.8	Very high	18 Å²	18	36 Å²	36	10%	0.096	19%	0.186	C	C	.	.			trans	-82.5	-14.3	178.4	57.5	13.1	0	0	0	114.1	R139 Y143 N150 L152 P287	D137-R139 HydrophobicContact CB-CG 4.25Å; D137-R139 PolarHBondContact OD1-N 3.18Å; D137-R139 VanDerWaalsContact OD1-N 3.16Å; D137-R139 WeakPolarHBondContact OD2-CD 3.43Å; D137-R139 IonicContact OD2-NE 2.73Å; D137-Y143 PolarHBondContact OD1-OH 2.83Å; D137-N150 WeakPolarHBondContact CA-O 3.41Å; D137-N150 HydrophobicContact CB-CB 4.21Å; D137-N150 VanDerWaalsContact CB-O 3.31Å; D137-N150 WeakPolarHBondContact CB-O 3.5Å; D137-N150 PolarHBondContact N-O 3.16Å; D137-N150 PolarHBondContact OD2-ND2 3.44Å; D137-L152 HydrophobicContact CB-CD1 4.41Å; D137-L152 HydrophobicContact CB-CD2 3.81Å; D137-L152 HydrophobicContact CB-CG 4.05Å; D137-L152 WeakPolarHBondContact O-CD1 3.43Å; D137-P287 WeakPolarHBondContact O-CA 3.2Å; D137-P287 WeakPolarHBondContact O-CB 3.45Å
138	G	96.6	Very high	97.8	Very high	4 Å²	4	40 Å²	40	4%	0.041	22%	0.219	C	C	.	.	S	Bend	trans	72.4	25.3	179.6	0	0	0	0	0	115	Y143 N289	G138-Y143 VanDerWaalsContact CA-OH 3.32Å; G138-Y143 WeakPolarHBondContact CA-OH 3.27Å; G138-Y143 PolarHBondContact N-OH 2.8Å; G138-N289 CarbonylContact C-O 3.58Å; G138-N289 WeakPolarHBondContact CA-O 3.35Å; G138-N289 PolarHBondContact O-N 2.99Å
139	R	95.8	Very high	97.7	Very high	176 Å²	176	42.2 Å²	42.2	66%	0.664	23%	0.233	S	C	*	.	S	Bend	trans	-91.5	-32.3	178.1	-64.3	-178.6	179.5	170.3	-2.1	114.2	D137 P141 Y143	D137-R139 HydrophobicContact CB-CG 4.25Å; D137-R139 PolarHBondContact OD1-N 3.18Å; D137-R139 VanDerWaalsContact OD1-N 3.16Å; D137-R139 WeakPolarHBondContact OD2-CD 3.43Å; D137-R139 IonicContact OD2-NE 2.73Å; R139-P141 VanDerWaalsContact C-CD 3.43Å; R139-Y143 PolarHBondContact N-OH 2.82Å
140	N	96.3	Very high	97.7	Very high	125 Å²	125	45.9 Å²	45.9	67%	0.668	25%	0.253	S	S	*	.	S	Bend	trans	-129.2	58	-174.7	-63.4	-42.8	0	0	0	112.8	Y143	N140-Y143 PolarHBondContact N-OH 3.36Å
141	P	96.5	Very high	97.6	Very high	48 Å²	48	46.1 Å²	46.1	31%	0.312	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-70.9	156.9	175.7	31.5	-36.6	0	0	0	112.7	R139 Y143 N289 R291	R139-P141 VanDerWaalsContact C-CD 3.43Å; P141-Y143 HydrophobicContact CB-CD2 4.47Å; P141-Y143 HydrophobicContact CB-CE2 4.31Å; P141-N289 HydrophobicContact CG-CB 3.99Å; P141-R291 HydrophobicContact CB-CB 3.86Å
142	P	97.7	Very high	97.4	Very high	64 Å²	64	47.9 Å²	47.9	42%	0.416	27%	0.265	S	S	.	.	S	Bend	cis	-75.3	149.7	-7.2	33	-34.8	0	0	0	112.1	R291 E293	P142-R291 CarbonylContact C-O 3.55Å; P142-R291 WeakPolarHBondContact CA-O 3.45Å; P142-R291 HydrophobicContact CB-CB 4.47Å; P142-R291 HydrophobicContact CB-CG 4.09Å; P142-E293 HydrophobicContact CB-CB 4.38Å
143	Y	98.5	Very high	97.2	Very high	11 Å²	11	47.7 Å²	47.7	4%	0.043	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-95.4	124.4	176.4	-67.7	-91.3	0	0	0	111	F136 D137 G138 R139 N140 P141 D147 H245 R291 E293	F136-Y143 HydrophobicContact CB-CD1 4Å; F136-Y143 HydrophobicContact CB-CD2 4.05Å; F136-Y143 HydrophobicContact CB-CE1 3.85Å; F136-Y143 HydrophobicContact CB-CE2 3.95Å; F136-Y143 HydrophobicContact CB-CG 4.08Å; F136-Y143 AromaticContact CD1-CD1 3.23Å; F136-Y143 HydrophobicContact CD1-CD1 3.23Å; F136-Y143 AromaticContact CD1-CE1 3.65Å; F136-Y143 HydrophobicContact CD1-CE1 3.65Å; F136-Y143 AromaticContact CD1-CG 3.73Å; F136-Y143 HydrophobicContact CD1-CG 3.73Å; F136-Y143 HydrophobicContact CD2-CD1 4.19Å; F136-Y143 HydrophobicContact CD2-CD2 4.19Å; F136-Y143 AromaticContact CD2-CG 3.8Å; F136-Y143 HydrophobicContact CD2-CG 3.8Å; F136-Y143 AromaticContact CE1-CD1 3.56Å; F136-Y143 HydrophobicContact CE1-CD1 3.56Å; F136-Y143 HydrophobicContact CE1-CE1 4.38Å; F136-Y143 AromaticContact CE1-CG 3.98Å; F136-Y143 HydrophobicContact CE1-CG 3.98Å; F136-Y143 HydrophobicContact CE2-CD1 4.46Å; F136-Y143 HydrophobicContact CE2-CG 4.05Å; F136-Y143 AromaticContact CG-CD1 3.56Å; F136-Y143 HydrophobicContact CG-CD1 3.56Å; F136-Y143 HydrophobicContact CG-CD2 4.03Å; F136-Y143 AromaticContact CG-CE1 3.92Å; F136-Y143 HydrophobicContact CG-CE1 3.92Å; F136-Y143 HydrophobicContact CG-CE2 4.4Å; F136-Y143 AromaticContact CG-CG 3.61Å; F136-Y143 HydrophobicContact CG-CG 3.61Å; F136-Y143 HydrophobicContact CZ-CD1 4.14Å; F136-Y143 HydrophobicContact CZ-CG 4.1Å; D137-Y143 PolarHBondContact OD1-OH 2.83Å; G138-Y143 VanDerWaalsContact CA-OH 3.32Å; G138-Y143 WeakPolarHBondContact CA-OH 3.27Å; G138-Y143 PolarHBondContact N-OH 2.8Å; R139-Y143 PolarHBondContact N-OH 2.82Å; N140-Y143 PolarHBondContact N-OH 3.36Å; P141-Y143 HydrophobicContact CB-CD2 4.47Å; P141-Y143 HydrophobicContact CB-CE2 4.31Å; Y143-D147 VanDerWaalsContact CA-OD2 3.29Å; Y143-D147 WeakPolarHBondContact CA-OD2 3.46Å; Y143-D147 HydrophobicContact CD1-CB 4.14Å; Y143-H245 PolarHBondContact O-CE1 3.45Å; Y143-H245 VanDerWaalsContact O-CE1 3.25Å; Y143-H245 PolarHBondContact O-ND1 3Å; Y143-R291 PolarHBondContact N-O 2.87Å; Y143-E293 PolarHBondContact O-N 2.92Å
144	G	98.3	Very high	96.9	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-83	170.6	168.9	0	0	0	0	0	112.9	N146 D147 H245	G144-N146 PolarHBondContact O-N 2.8Å; G144-D147 PolarHBondContact N-OD2 2.74Å; G144-D147 PolarHBondContact O-N 3.31Å; G144-H245 VanDerWaalsContact C-CE1 3.44Å; G144-H245 PolarHBondContact O-CE1 3.13Å
145	E	97.6	Very high	96.8	Very high	18 Å²	18	49.2 Å²	49.2	8%	0.084	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.9	-176.2	-62.7	94.1	157.3	0	0	114.3	I243 R296	E145-I243 HydrophobicContact CB-CB 4.23Å; E145-I243 HydrophobicContact CB-CG2 3.95Å; E145-I243 HydrophobicContact CG-CG2 4.09Å; E145-I243 WeakPolarHBondContact CG-O 3.42Å; E145-R296 WeakPolarHBondContact OE1-CB 3.24Å
146	N	96.8	Very high	96.7	Very high	157 Å²	157	49.2 Å²	49.2	84%	0.84	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.7	179.7	-61.8	-40.8	0	0	0	113.4	G144	G144-N146 PolarHBondContact O-N 2.8Å
147	D	98.2	Very high	96.6	Very high	70 Å²	70	54.6 Å²	54.6	37%	0.374	30%	0.296	S	S	.	.	S	Bend	trans	-67.9	142.9	178.1	-71.8	-27.2	0	0	0	111.1	F136 Y143 G144 P149	F136-D147 HydrophobicContact CE1-CB 4.17Å; Y143-D147 VanDerWaalsContact CA-OD2 3.29Å; Y143-D147 WeakPolarHBondContact CA-OD2 3.46Å; Y143-D147 HydrophobicContact CD1-CB 4.14Å; G144-D147 PolarHBondContact N-OD2 2.74Å; G144-D147 PolarHBondContact O-N 3.31Å; D147-P149 VanDerWaalsContact O-CD 3.23Å; D147-P149 WeakPolarHBondContact O-CD 3.44Å
148	A	97.7	Very high	96.5	Very high	84 Å²	84	53.8 Å²	53.8	69%	0.694	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-66.5	121	-177.7	0	0	0	0	0	111.1
149	P	98.1	Very high	96.6	Very high	47 Å²	47	53.9 Å²	53.9	31%	0.305	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-67.2	142.9	174.2	-23.6	37.6	0	0	0	112.3	V135 D147 L160	V135-P149 HydrophobicContact CB-CB 4.13Å; V135-P149 HydrophobicContact CG2-CB 4.38Å; V135-P149 CarbonylContact O-C 3.52Å; V135-P149 WeakPolarHBondContact O-CA 3.47Å; V135-P149 VanDerWaalsContact O-CB 3.28Å; V135-P149 WeakPolarHBondContact O-CB 3.46Å; D147-P149 VanDerWaalsContact O-CD 3.23Å; D147-P149 WeakPolarHBondContact O-CD 3.44Å; P149-L160 HydrophobicContact CB-CD1 3.71Å; P149-L160 HydrophobicContact CB-CD2 3.73Å; P149-L160 HydrophobicContact CB-CG 4.35Å; P149-L160 HydrophobicContact CG-CD1 3.7Å
150	N	97.9	Very high	96.7	Very high	78 Å²	78	46 Å²	46	42%	0.417	26%	0.261	S	S	.	.			trans	-144.7	72.9	176.2	-174.6	29.5	0	0	0	110.7	V135 F136 D137	V135-N150 CarbonylContact O-C 3.52Å; V135-N150 PolarHBondContact O-N 2.86Å; F136-N150 CarbonylContact C-O 3.49Å; D137-N150 WeakPolarHBondContact CA-O 3.41Å; D137-N150 HydrophobicContact CB-CB 4.21Å; D137-N150 VanDerWaalsContact CB-O 3.31Å; D137-N150 WeakPolarHBondContact CB-O 3.5Å; D137-N150 PolarHBondContact N-O 3.16Å; D137-N150 PolarHBondContact OD2-ND2 3.44Å
151	P	97	Very high	96.8	Very high	18 Å²	18	43.6 Å²	43.6	12%	0.117	25%	0.246	C	C	.	.			trans	-68.8	133.7	-172.3	25.7	-34.5	0	0	0	113.2	Y134 V135 G156 K157 L160	Y134-P151 WeakPolarHBondContact O-CB 3.31Å; V135-P151 WeakPolarHBondContact O-CD 3.25Å; P151-G156 VanDerWaalsContact CB-C 3.43Å; P151-K157 HydrophobicContact CB-CG 3.98Å; P151-K157 HydrophobicContact CG-CB 4.27Å; P151-K157 HydrophobicContact CG-CG 3.53Å; P151-L160 HydrophobicContact CG-CD2 4.06Å
152	L	94.9	Very high	96.9	Very high	40 Å²	40	41.3 Å²	41.3	21%	0.209	23%	0.231	C	C	.	.	S	Bend	trans	-83.4	-21.4	-179.1	-60.7	178.8	0	0	0	114.6	D137 Q285	D137-L152 HydrophobicContact CB-CD1 4.41Å; D137-L152 HydrophobicContact CB-CD2 3.81Å; D137-L152 HydrophobicContact CB-CG 4.05Å; D137-L152 WeakPolarHBondContact O-CD1 3.43Å; L152-Q285 HydrophobicContact CB-CB 3.94Å
153	N	92.3	Very high	96.9	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	21%	0.213	C	C	.	.	S	Bend	trans	-129.6	166.6	-175.1	57.8	61.6	0	0	0	112.2	Y134 Y155 G156 K157 A284 Q285	Y134-N153 WeakPolarHBondContact CD2-ND2 3.45Å; N153-Y155 VanDerWaalsContact C-N 3.28Å; N153-Y155 PolarHBondContact O-N 3.4Å; N153-Y155 WeakPolarHBondContact OD1-CB 3.29Å; N153-Y155 PolarHBondContact OD1-N 2.95Å; N153-G156 PolarHBondContact O-N 3.38Å; N153-G156 PolarHBondContact OD1-N 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.22Å; N153-K157 PolarHBondContact O-N 2.91Å; N153-A284 HydrophobicContact CB-CB 4.24Å; N153-Q285 WeakPolarHBondContact CB-O 3.41Å; N153-Q285 PolarHBondContact ND2-O 3.4Å
154	V	93.3	Very high	96.9	Very high	39 Å²	39	44.1 Å²	44.1	24%	0.236	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-34.4	-177.7	-176	0	0	0	0	111.7	V100 E101 T104 K157 S158	V100-V154 HydrophobicContact CG1-CB 3.91Å; V100-V154 HydrophobicContact CG1-CG1 3.58Å; E101-V154 HydrophobicContact CG-CB 4.17Å; E101-V154 HydrophobicContact CG-CG2 3.95Å; T104-V154 HydrophobicContact CG2-CG1 4.02Å; V154-K157 PolarHBondContact O-N 3.23Å; V154-S158 WeakPolarHBondContact O-CB 3.29Å; V154-S158 PolarHBondContact O-N 2.89Å
155	Y	94.3	Very high	96.9	Very high	25 Å²	25	46 Å²	46	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-51.9	174.8	166.8	-108.4	0	0	0	111.8	E94 R95 P97 V100 T132 Y134 N153 K157 S158 K159	E94-Y155 WeakPolarHBondContact O-CD2 3.33Å; R95-Y155 HydrophobicContact CB-CE2 4.27Å; P97-Y155 HydrophobicContact CG-CD1 4.11Å; P97-Y155 HydrophobicContact CG-CG 4.35Å; V100-Y155 HydrophobicContact CG2-CD2 4.31Å; T132-Y155 HydrophobicContact CG2-CE1 3.8Å; Y134-Y155 AromaticContact CD2-CD1 3.7Å; Y134-Y155 HydrophobicContact CD2-CD1 3.7Å; Y134-Y155 HydrophobicContact CD2-CE1 4.09Å; Y134-Y155 HydrophobicContact CG-CD1 4.15Å; Y134-Y155 HydrophobicContact CG-CE1 4.17Å; N153-Y155 VanDerWaalsContact C-N 3.28Å; N153-Y155 PolarHBondContact O-N 3.4Å; N153-Y155 WeakPolarHBondContact OD1-CB 3.29Å; N153-Y155 PolarHBondContact OD1-N 2.95Å; Y155-K157 VanDerWaalsContact C-N 3.33Å; Y155-K157 PolarHBondContact O-N 3.31Å; Y155-S158 PolarHBondContact O-N 3.37Å; Y155-S158 VanDerWaalsContact O-N 3.16Å; Y155-S158 PolarHBondContact O-OG 3.41Å; Y155-K159 HydrophobicContact CD2-CG 4.01Å; Y155-K159 HydrophobicContact CE1-CG 4.47Å; Y155-K159 HydrophobicContact CE2-CD 3.89Å; Y155-K159 HydrophobicContact CE2-CG 3.51Å; Y155-K159 WeakPolarHBondContact O-CG 3.49Å; Y155-K159 PolarHBondContact O-N 3.37Å
156	G	96.6	Very high	96.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.1	-42.8	176.4	0	0	0	0	0	112.6	Y134 P151 N153 K159 L160	Y134-G156 WeakPolarHBondContact O-CA 3.3Å; P151-G156 VanDerWaalsContact CB-C 3.43Å; N153-G156 PolarHBondContact O-N 3.38Å; N153-G156 PolarHBondContact OD1-N 3.24Å; G156-K159 PolarHBondContact O-N 3.04Å; G156-L160 WeakPolarHBondContact O-CB 3.46Å; G156-L160 PolarHBondContact O-N 2.67Å
157	K	96.4	Very high	96.9	Very high	113 Å²	113	40.2 Å²	40.2	49%	0.491	21%	0.21	S	C	.	.	H	α-helix	trans	-59	-49.8	173.5	-71.1	173.2	-175	179.3	0	111.3	P151 N153 V154 Y155 K159 L160 E161	P151-K157 HydrophobicContact CB-CG 3.98Å; P151-K157 HydrophobicContact CG-CB 4.27Å; P151-K157 HydrophobicContact CG-CG 3.53Å; N153-K157 WeakPolarHBondContact O-CG 3.22Å; N153-K157 PolarHBondContact O-N 2.91Å; V154-K157 PolarHBondContact O-N 3.23Å; Y155-K157 VanDerWaalsContact C-N 3.33Å; Y155-K157 PolarHBondContact O-N 3.31Å; K157-K159 VanDerWaalsContact C-N 3.32Å; K157-K159 PolarHBondContact O-N 2.94Å; K157-L160 PolarHBondContact O-N 3.31Å; K157-E161 WeakPolarHBondContact O-CG 3.4Å; K157-E161 PolarHBondContact O-N 2.92Å
158	S	96.3	Very high	96.9	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-39.6	179.7	76.7	0	0	0	0	112.5	N111 V112 V154 Y155 E161 G162	N111-S158 PolarHBondContact ND2-OG 2.95Å; N111-S158 VanDerWaalsContact ND2-OG 3.08Å; V112-S158 WeakPolarHBondContact CG2-O 3.45Å; V154-S158 WeakPolarHBondContact O-CB 3.29Å; V154-S158 PolarHBondContact O-N 2.89Å; Y155-S158 PolarHBondContact O-N 3.37Å; Y155-S158 VanDerWaalsContact O-N 3.16Å; Y155-S158 PolarHBondContact O-OG 3.41Å; S158-E161 PolarHBondContact O-N 3.43Å; S158-G162 PolarHBondContact O-N 2.85Å
159	K	97.9	Very high	96.9	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-40.6	178.6	-68.7	-59.4	-63	171.1	0	111.5	Y129 I130 T132 V135 Y155 G156 K157 G162 E163	Y129-K159 VanDerWaalsContact OH-CE 3.25Å; Y129-K159 WeakPolarHBondContact OH-CE 3.41Å; Y129-K159 PolarHBondContact OH-NZ 3.2Å; Y129-K159 PolarHBondContact OH-O 3.26Å; I130-K159 VanDerWaalsContact O-CE 3.29Å; I130-K159 WeakPolarHBondContact O-CE 3.37Å; I130-K159 PolarHBondContact O-NZ 3.08Å; T132-K159 HydrophobicContact CG2-CB 3.66Å; T132-K159 HydrophobicContact CG2-CG 3.73Å; V135-K159 HydrophobicContact CG1-CB 4.5Å; Y155-K159 HydrophobicContact CD2-CG 4.01Å; Y155-K159 HydrophobicContact CE1-CG 4.47Å; Y155-K159 HydrophobicContact CE2-CD 3.89Å; Y155-K159 HydrophobicContact CE2-CG 3.51Å; Y155-K159 WeakPolarHBondContact O-CG 3.49Å; Y155-K159 PolarHBondContact O-N 3.37Å; G156-K159 PolarHBondContact O-N 3.04Å; K157-K159 VanDerWaalsContact C-N 3.32Å; K157-K159 PolarHBondContact O-N 2.94Å; K159-G162 PolarHBondContact O-N 3Å; K159-E163 WeakPolarHBondContact O-CG 3.28Å; K159-E163 PolarHBondContact O-N 3.14Å
160	L	98.3	Very high	96.8	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-62.4	-44	174.4	180	61.8	0	0	0	112.4	V135 P149 P151 G156 K157 G162 E163 R164	V135-L160 HydrophobicContact CG1-CB 4.1Å; P149-L160 HydrophobicContact CB-CD1 3.71Å; P149-L160 HydrophobicContact CB-CD2 3.73Å; P149-L160 HydrophobicContact CB-CG 4.35Å; P149-L160 HydrophobicContact CG-CD1 3.7Å; P151-L160 HydrophobicContact CG-CD2 4.06Å; G156-L160 WeakPolarHBondContact O-CB 3.46Å; G156-L160 PolarHBondContact O-N 2.67Å; K157-L160 PolarHBondContact O-N 3.31Å; L160-G162 VanDerWaalsContact C-N 3.3Å; L160-G162 PolarHBondContact O-N 2.72Å; L160-E163 WeakPolarHBondContact O-CB 3.41Å; L160-E163 PolarHBondContact O-N 3.25Å; L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 2.88Å; L160-R164 VanDerWaalsContact O-N 3.14Å
161	E	98	Very high	96.7	Very high	75 Å²	75	41 Å²	41	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-63.6	-38.1	173.7	-63.1	-45	140	0	0	111.5	V112 K157 S158 E163 R164 E165	V112-E161 HydrophobicContact CG1-CB 4Å; V112-E161 HydrophobicContact CG2-CB 3.91Å; K157-E161 WeakPolarHBondContact O-CG 3.4Å; K157-E161 PolarHBondContact O-N 2.92Å; S158-E161 PolarHBondContact O-N 3.43Å; E161-E163 PolarHBondContact O-N 3.07Å; E161-R164 WeakPolarHBondContact O-CB 3.31Å; E161-R164 PolarHBondContact O-N 2.95Å; E161-R164 IonicContact OE1-CZ 3.74Å; E161-R164 IonicContact OE1-NH1 3.81Å; E161-R164 PolarHBondContact OE1-NH1 2.9Å; E161-R164 WeakPolarHBondContact OE2-CD 3.41Å; E161-R164 IonicContact OE2-CZ 3.42Å; E161-R164 IonicContact OE2-NH1 3.72Å; E161-R164 PolarHBondContact OE2-NH1 3.38Å; E161-E165 PolarHBondContact O-N 3.43Å
162	G	98.1	Very high	96.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-39.3	171.9	0	0	0	0	0	113.4	S158 K159 L160 R164 E165 V166	S158-G162 PolarHBondContact O-N 2.85Å; K159-G162 PolarHBondContact O-N 3Å; L160-G162 VanDerWaalsContact C-N 3.3Å; L160-G162 PolarHBondContact O-N 2.72Å; G162-R164 VanDerWaalsContact C-N 3.32Å; G162-R164 PolarHBondContact O-N 3.08Å; G162-E165 PolarHBondContact O-N 3.34Å; G162-V166 WeakPolarHBondContact O-CB 3.31Å; G162-V166 VanDerWaalsContact O-CG2 3.26Å; G162-V166 WeakPolarHBondContact O-CG2 3.5Å; G162-V166 PolarHBondContact O-N 3.01Å
163	E	98.5	Very high	96.9	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-45.3	173.1	-64.4	-176.4	-175.8	0	0	111.2	Y129 S131 K159 L160 E161 V166 L167 V175 R177	Y129-E163 HydrophobicContact CD1-CG 4.11Å; Y129-E163 HydrophobicContact CE1-CB 4.36Å; Y129-E163 HydrophobicContact CE1-CG 3.7Å; S131-E163 WeakPolarHBondContact CB-OE1 3.3Å; S131-E163 PolarHBondContact OG-OE1 3.2Å; K159-E163 WeakPolarHBondContact O-CG 3.28Å; K159-E163 PolarHBondContact O-N 3.14Å; L160-E163 WeakPolarHBondContact O-CB 3.41Å; L160-E163 PolarHBondContact O-N 3.25Å; E161-E163 PolarHBondContact O-N 3.07Å; E163-V166 PolarHBondContact O-N 3.36Å; E163-L167 WeakPolarHBondContact O-CB 3.27Å; E163-L167 VanDerWaalsContact O-CG 3.31Å; E163-L167 WeakPolarHBondContact O-CG 3.41Å; E163-L167 PolarHBondContact O-N 3.33Å; E163-V175 HydrophobicContact CB-CG1 4.44Å; E163-V175 HydrophobicContact CB-CG2 4.33Å; E163-V175 HydrophobicContact CG-CG1 3.66Å; E163-V175 HydrophobicContact CG-CG2 4.36Å; E163-R177 WeakPolarHBondContact OE1-CG 3.13Å; E163-R177 IonicContact OE1-CZ 2.95Å; E163-R177 IonicContact OE1-NE 3.47Å; E163-R177 PolarHBondContact OE1-NE 2.91Å; E163-R177 IonicContact OE1-NH2 2.75Å; E163-R177 IonicContact OE2-CZ 3.92Å; E163-R177 IonicContact OE2-NE 3.84Å; E163-R177 PolarHBondContact OE2-NE 3.46Å; E163-R177 IonicContact OE2-NH2 3.91Å; E163-R177 PolarHBondContact OE2-NH2 3.44Å
164	R	98.3	Very high	97.2	Very high	131 Å²	131	39.2 Å²	39.2	49%	0.494	19%	0.188	S	C	.	.	H	α-helix	trans	-63.4	-46.7	179.8	-68.8	171.9	179	164.2	4.2	111.4	L160 E161 G162 L167 R168	L160-R164 WeakPolarHBondContact O-CG 3.49Å; L160-R164 PolarHBondContact O-N 2.88Å; L160-R164 VanDerWaalsContact O-N 3.14Å; E161-R164 WeakPolarHBondContact O-CB 3.31Å; E161-R164 PolarHBondContact O-N 2.95Å; E161-R164 IonicContact OE1-CZ 3.74Å; E161-R164 IonicContact OE1-NH1 3.81Å; E161-R164 PolarHBondContact OE1-NH1 2.9Å; E161-R164 WeakPolarHBondContact OE2-CD 3.41Å; E161-R164 IonicContact OE2-CZ 3.42Å; E161-R164 IonicContact OE2-NH1 3.72Å; E161-R164 PolarHBondContact OE2-NH1 3.38Å; G162-R164 VanDerWaalsContact C-N 3.32Å; G162-R164 PolarHBondContact O-N 3.08Å; R164-L167 PolarHBondContact O-N 3.41Å; R164-R168 WeakPolarHBondContact O-CB 3.28Å; R164-R168 PolarHBondContact O-N 3.28Å
165	E	97.8	Very high	97.5	Very high	48 Å²	48	37.3 Å²	37.3	22%	0.224	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-41.9	179.1	-75.5	-61.7	104.6	0	0	112.2	V112 E161 G162 R168 H169	V112-E165 HydrophobicContact CG1-CG 3.95Å; E161-E165 PolarHBondContact O-N 3.43Å; G162-E165 PolarHBondContact O-N 3.34Å; E165-R168 PolarHBondContact O-N 2.67Å; E165-R168 IonicContact OE1-CZ 3.34Å; E165-R168 IonicContact OE1-NE 3.53Å; E165-R168 PolarHBondContact OE1-NE 3.35Å; E165-R168 IonicContact OE1-NH2 2.85Å; E165-R168 PolarHBondContact OE1-NH2 3.12Å; E165-R168 IonicContact OE2-CZ 3.5Å; E165-R168 IonicContact OE2-NE 2.87Å; E165-R168 IonicContact OE2-NH2 2.72Å; E165-R168 PolarHBondContact OE2-NH2 3.29Å; E165-H169 PolarHBondContact O-CD2 2.9Å; E165-H169 PolarHBondContact O-N 3.06Å; E165-H169 VanDerWaalsContact O-N 3.09Å; E165-H169 IonicContact OE2-CD2 2.67Å; E165-H169 IonicContact OE2-NE2 3.08Å
166	V	98.2	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-50.3	175.8	167.1	0	0	0	0	111.1	A119 L127 Y129 G162 E163 R168 H169 S170 A173	A119-V166 HydrophobicContact CB-CB 4.32Å; A119-V166 HydrophobicContact CB-CG1 4.43Å; A119-V166 HydrophobicContact CB-CG2 4.2Å; L127-V166 HydrophobicContact CD2-CG1 3.81Å; L127-V166 HydrophobicContact CD2-CG2 4.42Å; L127-V166 HydrophobicContact CG-CG1 4.42Å; Y129-V166 HydrophobicContact CD1-CG2 4.47Å; Y129-V166 HydrophobicContact CD2-CG2 3.99Å; Y129-V166 HydrophobicContact CE2-CG2 4.46Å; Y129-V166 HydrophobicContact CG-CG2 3.96Å; G162-V166 WeakPolarHBondContact O-CB 3.31Å; G162-V166 VanDerWaalsContact O-CG2 3.26Å; G162-V166 WeakPolarHBondContact O-CG2 3.5Å; G162-V166 PolarHBondContact O-N 3.01Å; E163-V166 PolarHBondContact O-N 3.36Å; V166-R168 VanDerWaalsContact C-N 3.32Å; V166-R168 PolarHBondContact O-N 3.47Å; V166-H169 PolarHBondContact O-N 3.07Å; V166-S170 WeakPolarHBondContact O-CA 3.41Å; V166-S170 PolarHBondContact O-N 2.76Å; V166-A173 HydrophobicContact CG1-CB 3.76Å
167	L	97.6	Very high	97.8	Very high	52 Å²	52	36.4 Å²	36.4	27%	0.272	17%	0.173	S	C	.	.	H	α-helix	trans	-69.7	-29.8	-178	-68.7	172.8	0	0	0	112.7	E163 R164 V175 I243	E163-L167 WeakPolarHBondContact O-CB 3.27Å; E163-L167 VanDerWaalsContact O-CG 3.31Å; E163-L167 WeakPolarHBondContact O-CG 3.41Å; E163-L167 PolarHBondContact O-N 3.33Å; R164-L167 PolarHBondContact O-N 3.41Å; L167-V175 HydrophobicContact CD1-CG2 4.13Å; L167-V175 HydrophobicContact CD2-CG2 4.13Å; L167-V175 HydrophobicContact CG-CG2 4.01Å; L167-I243 HydrophobicContact CD1-CD1 4.45Å; L167-I243 HydrophobicContact CD1-CG1 4.28Å
168	R	97.2	Very high	97.9	Very high	146 Å²	146	31.2 Å²	31.2	55%	0.551	15%	0.151	S	C	*	.	H	α-helix	trans	-66.6	-41.5	174.8	-175.6	174.3	72.5	81.2	-3.1	111.8	R164 E165 V166	R164-R168 WeakPolarHBondContact O-CB 3.28Å; R164-R168 PolarHBondContact O-N 3.28Å; E165-R168 PolarHBondContact O-N 2.67Å; E165-R168 IonicContact OE1-CZ 3.34Å; E165-R168 IonicContact OE1-NE 3.53Å; E165-R168 PolarHBondContact OE1-NE 3.35Å; E165-R168 IonicContact OE1-NH2 2.85Å; E165-R168 PolarHBondContact OE1-NH2 3.12Å; E165-R168 IonicContact OE2-CZ 3.5Å; E165-R168 IonicContact OE2-NE 2.87Å; E165-R168 IonicContact OE2-NH2 2.72Å; E165-R168 PolarHBondContact OE2-NH2 3.29Å; V166-R168 VanDerWaalsContact C-N 3.32Å; V166-R168 PolarHBondContact O-N 3.47Å
169	H	97.3	Very high	97.9	Very high	53 Å²	53	31.5 Å²	31.5	25%	0.245	15%	0.153	C	C	.	.	H	α-helix	trans	-91.8	-28.3	-176.8	-75.9	-52.7	0	0	0	114.5	A119 K120 E165 V166	A119-H169 HydrophobicContact CB-CB 3.85Å; K120-H169 WeakPolarHBondContact CE-CE1 3.48Å; K120-H169 WeakPolarHBondContact CE-NE2 3.39Å; K120-H169 HydrophobicContact CG-CB 3.97Å; E165-H169 PolarHBondContact O-CD2 2.9Å; E165-H169 PolarHBondContact O-N 3.06Å; E165-H169 VanDerWaalsContact O-N 3.09Å; E165-H169 IonicContact OE2-CD2 2.67Å; E165-H169 IonicContact OE2-NE2 3.08Å; V166-H169 PolarHBondContact O-N 3.07Å
170	S	96.8	Very high	97.9	Very high	11 Å²	11	32.1 Å²	32.1	8%	0.077	16%	0.156	C	C	.	.			trans	-130.8	82.5	176	-170.9	0	0	0	0	110.1	V166 G172 A173	V166-S170 WeakPolarHBondContact O-CA 3.41Å; V166-S170 PolarHBondContact O-N 2.76Å; S170-G172 PolarHBondContact O-N 3.49Å; S170-A173 WeakPolarHBondContact O-CB 3.45Å; S170-A173 PolarHBondContact O-N 2.85Å
171	P	96.1	Very high	97.9	Very high	85 Å²	85	33.1 Å²	33.1	55%	0.552	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.6	178.8	-24.5	34.8	0	0	0	114.5
172	G	97.2	Very high	98	Very high	24 Å²	24	29.7 Å²	29.7	25%	0.247	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.6	173.6	0	0	0	0	0	114.4	S170	S170-G172 PolarHBondContact O-N 3.49Å
173	A	98.4	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.			trans	-71.4	160.4	178.6	0	0	0	0	0	112.4	L127 V166 S170 R241 G242	L127-A173 HydrophobicContact CB-CB 4.01Å; L127-A173 HydrophobicContact CG-CB 4.39Å; L127-A173 CarbonylContact O-C 3.53Å; L127-A173 VanDerWaalsContact O-CA 3.3Å; L127-A173 WeakPolarHBondContact O-CA 3.29Å; L127-A173 WeakPolarHBondContact O-CB 3.44Å; V166-A173 HydrophobicContact CG1-CB 3.76Å; S170-A173 WeakPolarHBondContact O-CB 3.45Å; S170-A173 PolarHBondContact O-N 2.85Å; A173-R241 WeakPolarHBondContact O-CA 3.26Å; A173-G242 PolarHBondContact O-N 3.2Å
174	A	98.6	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.1	166.4	0	0	0	0	0	110.3	F126 L127 I128 Y129 M230 G242 F244	F126-A174 HydrophobicContact CE2-CB 3.72Å; F126-A174 HydrophobicContact CZ-CB 3.67Å; L127-A174 PolarHBondContact O-N 3.45Å; I128-A174 CarbonylContact C-O 3.43Å; I128-A174 WeakPolarHBondContact CA-O 3.44Å; Y129-A174 PolarHBondContact N-O 3.45Å; A174-M230 HydrophobicContact CB-CE 3.54Å; A174-G242 CarbonylContact C-O 3.44Å; A174-G242 VanDerWaalsContact CA-O 3.27Å; A174-G242 WeakPolarHBondContact CA-O 3.44Å; A174-F244 HydrophobicContact CB-CD2 4.02Å; A174-F244 HydrophobicContact CB-CE2 3.91Å
175	V	98.8	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122	168.7	170.6	0	0	0	0	107.1	Y129 E163 L167 R177 G242 I243 F244	Y129-V175 HydrophobicContact CD1-CG1 4.18Å; Y129-V175 HydrophobicContact CD1-CG2 4.12Å; Y129-V175 CarbonylContact O-C 3.56Å; Y129-V175 WeakPolarHBondContact O-CA 3.37Å; E163-V175 HydrophobicContact CB-CG1 4.44Å; E163-V175 HydrophobicContact CB-CG2 4.33Å; E163-V175 HydrophobicContact CG-CG1 3.66Å; E163-V175 HydrophobicContact CG-CG2 4.36Å; L167-V175 HydrophobicContact CD1-CG2 4.13Å; L167-V175 HydrophobicContact CD2-CG2 4.13Å; L167-V175 HydrophobicContact CG-CG2 4.01Å; V175-R177 HydrophobicContact CG1-CG 4.36Å; V175-G242 PolarHBondContact N-O 3.35Å; V175-I243 HydrophobicContact CB-CG1 4.07Å; V175-I243 HydrophobicContact CG1-CG1 4.4Å; V175-I243 CarbonylContact O-C 3.56Å; V175-I243 WeakPolarHBondContact O-CA 3.49Å; V175-F244 PolarHBondContact O-N 2.7Å
176	L	98.9	Very high	97.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	103.4	177	-175.8	64.6	0	0	0	109.5	I128 Y129 I130 S131 V178 V223 V226 M230 F244 L297	I128-L176 HydrophobicContact CG2-CB 4.27Å; Y129-L176 PolarHBondContact O-N 2.81Å; I130-L176 HydrophobicContact CD1-CB 4.23Å; I130-L176 HydrophobicContact CD1-CD2 4.12Å; S131-L176 PolarHBondContact N-O 3.35Å; L176-V178 HydrophobicContact CD2-CG1 4.37Å; L176-V178 HydrophobicContact CG-CG1 4.08Å; L176-V223 HydrophobicContact CD2-CG1 4.1Å; L176-V226 HydrophobicContact CD1-CG1 4.2Å; L176-V226 HydrophobicContact CD2-CG1 4.03Å; L176-M230 HydrophobicContact CD1-SD 4.29Å; L176-F244 CarbonylContact C-O 3.57Å; L176-F244 WeakPolarHBondContact CA-O 3.48Å; L176-F244 HydrophobicContact CD1-CB 3.94Å; L176-L297 HydrophobicContact CD1-CD1 4.41Å
177	R	98.8	Very high	97.5	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.019	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	129.2	173.7	-66.3	176.8	-173.2	157.6	4.4	109.4	E163 V175 F244 H245 Y246 L292	E163-R177 WeakPolarHBondContact OE1-CG 3.13Å; E163-R177 IonicContact OE1-CZ 2.95Å; E163-R177 IonicContact OE1-NE 3.47Å; E163-R177 PolarHBondContact OE1-NE 2.91Å; E163-R177 IonicContact OE1-NH2 2.75Å; E163-R177 IonicContact OE2-CZ 3.92Å; E163-R177 IonicContact OE2-NE 3.84Å; E163-R177 PolarHBondContact OE2-NE 3.46Å; E163-R177 IonicContact OE2-NH2 3.91Å; E163-R177 PolarHBondContact OE2-NH2 3.44Å; V175-R177 HydrophobicContact CG1-CG 4.36Å; R177-F244 PolarHBondContact N-O 2.97Å; R177-H245 WeakPolarHBondContact CD-NE2 3.16Å; R177-H245 PolarHBondContact NH1-NE2 2.87Å; R177-H245 WeakPolarHBondContact O-CA 3.3Å; R177-Y246 PolarHBondContact O-N 3.24Å; R177-L292 HydrophobicContact CB-CD1 4.17Å; R177-L292 WeakPolarHBondContact O-CD1 3.32Å
178	V	98.6	Very high	97.3	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151	178.5	-62.7	0	0	0	0	110.5	I130 S131 T132 D133 L176 L181 V223	I130-V178 HydrophobicContact CG2-CG2 3.91Å; S131-V178 WeakPolarHBondContact O-CG2 3.45Å; S131-V178 PolarHBondContact O-N 2.96Å; T132-V178 CarbonylContact C-O 3.59Å; T132-V178 VanDerWaalsContact CA-O 3.27Å; T132-V178 WeakPolarHBondContact CA-O 3.34Å; D133-V178 PolarHBondContact N-O 3.33Å; L176-V178 HydrophobicContact CD2-CG1 4.37Å; L176-V178 HydrophobicContact CG-CG1 4.08Å; V178-L181 HydrophobicContact CB-CD2 4.1Å; V178-L181 HydrophobicContact CG2-CD1 4.07Å; V178-L181 HydrophobicContact CG2-CD2 3.99Å; V178-L181 HydrophobicContact CG2-CG 4.22Å; V178-V223 HydrophobicContact CG1-CG1 4.01Å; V178-V223 HydrophobicContact CG1-CG2 4.14Å
179	P	97.7	Very high	97.2	Very high	8 Å²	8	34.3 Å²	34.3	5%	0.052	18%	0.175	C	C	.	.			trans	-86.1	-152.9	177.9	39.6	-40.7	0	0	0	111.3	D133 L181 F216 T218 Y246	D133-P179 HydrophobicContact CB-CB 4.23Å; D133-P179 VanDerWaalsContact CG-CA 3.46Å; D133-P179 WeakPolarHBondContact OD2-CB 3.5Å; P179-L181 PolarHBondContact O-N 3.24Å; P179-F216 HydrophobicContact CG-CB 4.24Å; P179-F216 WeakPolarHBondContact CG-O 3.45Å; P179-T218 WeakPolarHBondContact CG-OG1 3.41Å; P179-Y246 WeakPolarHBondContact CD-O 3.17Å
180	I	97.5	Very high	97	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.092	17%	0.166	C	C	.	.	S	Bend	trans	-57.6	125	175.4	-170.2	177.3	0	0	0	111.5	A192 V193 R215 T218	I180-A192 HydrophobicContact CD1-CB 3.73Å; I180-A192 HydrophobicContact CG1-CB 4.28Å; I180-V193 HydrophobicContact CD1-CG2 3.57Å; I180-V193 HydrophobicContact CG1-CG2 3.85Å; I180-R215 HydrophobicContact CG2-CB 3.97Å; I180-T218 PolarHBondContact O-N 3.28Å
181	L	98.4	Very high	97	Very high	32 Å²	32	32 Å²	32	17%	0.168	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	145.5	-176.4	-62.4	-177.6	0	0	0	112.6	L37 L38 V178 P179 S191 T218 V220 V223	L37-L181 HydrophobicContact CD2-CB 4.42Å; L38-L181 HydrophobicContact CB-CD1 4.06Å; L38-L181 HydrophobicContact CD2-CD1 4.02Å; L38-L181 HydrophobicContact CG-CD1 4.43Å; V178-L181 HydrophobicContact CB-CD2 4.1Å; V178-L181 HydrophobicContact CG2-CD1 4.07Å; V178-L181 HydrophobicContact CG2-CD2 3.99Å; V178-L181 HydrophobicContact CG2-CG 4.22Å; P179-L181 PolarHBondContact O-N 3.24Å; L181-S191 WeakPolarHBondContact O-CB 3.31Å; L181-S191 PolarHBondContact O-OG 2.85Å; L181-T218 WeakPolarHBondContact CA-O 3.37Å; L181-T218 HydrophobicContact CD2-CG2 4.19Å; L181-V220 HydrophobicContact CB-CG1 3.97Å; L181-V220 HydrophobicContact CD1-CG1 4.4Å; L181-V223 HydrophobicContact CD2-CG2 3.9Å
182	Y	98.6	Very high	96.9	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.2	170.5	77.4	-77.3	0	0	0	111.5	V193 P217 T218 Y219 V220 F309 A312 V313	Y182-V193 HydrophobicContact CG-CB 4.43Å; Y182-V193 HydrophobicContact CG-CG1 4.26Å; Y182-P217 HydrophobicContact CD1-CB 3.88Å; Y182-P217 HydrophobicContact CE1-CB 3.85Å; Y182-T218 WeakPolarHBondContact CD1-O 3.37Å; Y182-T218 VanDerWaalsContact CE1-C 3.46Å; Y182-T218 PolarHBondContact N-O 2.97Å; Y182-Y219 HydrophobicContact CD2-CD2 4.39Å; Y182-Y219 HydrophobicContact CE2-CD2 4.06Å; Y182-Y219 WeakPolarHBondContact O-CA 3.39Å; Y182-Y219 WeakPolarHBondContact O-CD2 3.45Å; Y182-V220 VanDerWaalsContact O-CG1 3.24Å; Y182-V220 WeakPolarHBondContact O-CG1 3.34Å; Y182-V220 WeakPolarHBondContact O-CG2 3.43Å; Y182-V220 PolarHBondContact O-N 3.47Å; Y182-F309 HydrophobicContact CD1-CD2 4.47Å; Y182-F309 HydrophobicContact CD1-CE2 4.3Å; Y182-F309 HydrophobicContact CD2-CE2 4.38Å; Y182-F309 AromaticContact CE1-CD2 3.77Å; Y182-F309 HydrophobicContact CE1-CD2 3.77Å; Y182-F309 HydrophobicContact CE1-CE2 4.04Å; Y182-F309 HydrophobicContact CE2-CD2 4.07Å; Y182-F309 HydrophobicContact CE2-CE2 4.12Å; Y182-F309 HydrophobicContact CG-CE2 4.46Å; Y182-F309 AromaticContact CZ-CD2 3.54Å; Y182-F309 AromaticContact CZ-CE2 3.95Å; Y182-F309 WeakPolarHBondContact OH-CA 3.29Å; Y182-A312 HydrophobicContact CE2-CB 3.78Å; Y182-A312 VanDerWaalsContact OH-CB 3.24Å; Y182-A312 WeakPolarHBondContact OH-CB 3.38Å; Y182-V313 HydrophobicContact CD2-CB 4.47Å; Y182-V313 HydrophobicContact CD2-CG2 4.39Å; Y182-V313 HydrophobicContact CE2-CB 4.1Å; Y182-V313 HydrophobicContact CE2-CG2 4.5Å
183	G	98.1	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	163.8	-154.8	174.5	0	0	0	0	0	112.3	V185 S316	G183-V185 WeakPolarHBondContact O-CG1 3.11Å; G183-V185 PolarHBondContact O-N 2.82Å; G183-V185 VanDerWaalsContact O-N 3.13Å; G183-S316 VanDerWaalsContact CA-OG 3.24Å; G183-S316 WeakPolarHBondContact CA-OG 3.39Å; G183-S316 VanDerWaalsContact O-CB 3.32Å; G183-S316 WeakPolarHBondContact O-CB 3.45Å; G183-S316 PolarHBondContact O-OG 3.42Å
184	E	97.3	Very high	96.9	Very high	108 Å²	108	28.6 Å²	28.6	51%	0.505	14%	0.14	S	C	.	.	S	Bend	trans	-60.1	113.9	174.9	-170.7	-169.4	153.4	0	0	110.9	R40 K44	R40-E184 PolarHBondContact NH2-O 3.25Å; R40-E184 VanDerWaalsContact NH2-O 3.08Å; K44-E184 VanDerWaalsContact NZ-CD 3.26Å; K44-E184 IonicContact NZ-OE1 2.86Å; K44-E184 PolarHBondContact NZ-OE1 3.47Å; K44-E184 VanDerWaalsContact NZ-OE1 3.08Å; K44-E184 IonicContact NZ-OE2 3.86Å; K44-E184 PolarHBondContact NZ-OE2 3.06Å
185	V	96.5	Very high	96.7	Very high	11 Å²	11	31 Å²	31	7%	0.067	15%	0.154	C	C	.	.			trans	-111.1	148.9	-176.6	-72	0	0	0	0	111.8	L37 G183 R187 E190 T194 F320	L37-V185 HydrophobicContact CD1-CG1 3.93Å; G183-V185 WeakPolarHBondContact O-CG1 3.11Å; G183-V185 PolarHBondContact O-N 2.82Å; G183-V185 VanDerWaalsContact O-N 3.13Å; V185-R187 VanDerWaalsContact CB-O 3.3Å; V185-R187 WeakPolarHBondContact CB-O 3.44Å; V185-R187 WeakPolarHBondContact CG2-O 3.41Å; V185-E190 WeakPolarHBondContact CA-OE2 3.47Å; V185-E190 HydrophobicContact CB-CB 4.09Å; V185-E190 HydrophobicContact CG1-CB 3.88Å; V185-T194 HydrophobicContact CG1-CG2 3.98Å; V185-T194 HydrophobicContact CG2-CG2 4.12Å; V185-F320 HydrophobicContact CG2-CE2 3.69Å; V185-F320 HydrophobicContact CG2-CZ 3.93Å; V185-F320 WeakPolarHBondContact O-CZ 3.33Å
186	E	94.6	Very high	96.5	Very high	106 Å²	106	31.1 Å²	31.1	50%	0.495	16%	0.155	S	C	.	.	S	Bend	trans	-76.9	-29.5	169.8	-72.3	167.9	-164.5	0	0	111.3	R40 R60 E190	R40-E186 IonicContact CZ-OE1 3.48Å; R40-E186 IonicContact NE-OE1 3.31Å; R40-E186 VanDerWaalsContact NH1-CD 3.27Å; R40-E186 IonicContact NH1-OE1 2.87Å; R40-E186 PolarHBondContact NH1-OE1 3.44Å; R40-E186 IonicContact NH1-OE2 3.3Å; R60-E186 IonicContact CZ-OE2 2.71Å; R60-E186 IonicContact NH1-OE1 2.76Å; R60-E186 IonicContact NH1-OE2 3.76Å; R60-E186 PolarHBondContact NH1-OE2 2.88Å; E186-E190 PolarHBondContact N-OE2 2.74Å
187	R	94.5	Very high	96.4	Very high	156 Å²	156	31.2 Å²	31.2	59%	0.589	16%	0.155	S	C	*	.	S	Bend	trans	-144.6	145.2	176.5	-52.8	-175.1	-45.8	167.9	9.5	108.5	V185 D189 E190	V185-R187 VanDerWaalsContact CB-O 3.3Å; V185-R187 WeakPolarHBondContact CB-O 3.44Å; V185-R187 WeakPolarHBondContact CG2-O 3.41Å; R187-D189 VanDerWaalsContact CB-OD1 3.29Å; R187-D189 WeakPolarHBondContact CB-OD1 3.36Å; R187-D189 IonicContact CZ-OD1 3.61Å; R187-D189 IonicContact CZ-OD2 3.9Å; R187-D189 VanDerWaalsContact CZ-OD2 3.32Å; R187-D189 IonicContact NE-OD1 3.47Å; R187-D189 PolarHBondContact NE-OD1 2.81Å; R187-D189 IonicContact NE-OD2 2.88Å; R187-D189 IonicContact NH1-OD2 2.71Å; R187-D189 IonicContact NH2-OD1 3.63Å; R187-D189 PolarHBondContact NH2-OD1 2.93Å; R187-D189 IonicContact NH2-OD2 3.6Å; R187-D189 PolarHBondContact NH2-OD2 2.91Å; R187-D189 PolarHBondContact O-N 3.18Å; R187-D189 VanDerWaalsContact O-N 3.07Å; R187-E190 WeakPolarHBondContact O-CB 3.28Å; R187-E190 PolarHBondContact O-N 3.44Å
188	V	94.4	Very high	96	Very high	19 Å²	19	33.6 Å²	33.6	12%	0.115	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-56.8	-28.6	-179.1	-64.3	0	0	0	0	113.4	E190 T194 V195 W197 D198 L317 F320	V188-E190 VanDerWaalsContact C-N 3.26Å; V188-E190 PolarHBondContact O-N 3.37Å; V188-T194 CarbonylContact O-C 3.53Å; V188-T194 VanDerWaalsContact O-CB 3.32Å; V188-T194 WeakPolarHBondContact O-CB 3.33Å; V188-T194 PolarHBondContact O-OG1 3.1Å; V188-V195 WeakPolarHBondContact O-CA 3.46Å; V188-V195 PolarHBondContact O-N 3Å; V188-W197 HydrophobicContact CG1-CB 4.25Å; V188-W197 HydrophobicContact CG1-CG 4.3Å; V188-D198 WeakPolarHBondContact CG2-OD2 3.35Å; V188-L317 HydrophobicContact CG1-CD2 4.31Å; V188-F320 HydrophobicContact CG1-CB 4.15Å; V188-F320 HydrophobicContact CG1-CD1 3.64Å; V188-F320 HydrophobicContact CG1-CD2 4.19Å; V188-F320 HydrophobicContact CG1-CE1 4.04Å; V188-F320 HydrophobicContact CG1-CG 3.72Å; V188-F320 HydrophobicContact CG1-CZ 4.47Å
189	D	93.6	Very high	95.6	Very high	77 Å²	77	36.8 Å²	36.8	41%	0.412	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-79.2	-0.9	177.5	72.5	-8.7	0	0	0	114.8	R187 S191 V195	R187-D189 VanDerWaalsContact CB-OD1 3.29Å; R187-D189 WeakPolarHBondContact CB-OD1 3.36Å; R187-D189 IonicContact CZ-OD1 3.61Å; R187-D189 IonicContact CZ-OD2 3.9Å; R187-D189 VanDerWaalsContact CZ-OD2 3.32Å; R187-D189 IonicContact NE-OD1 3.47Å; R187-D189 PolarHBondContact NE-OD1 2.81Å; R187-D189 IonicContact NE-OD2 2.88Å; R187-D189 IonicContact NH1-OD2 2.71Å; R187-D189 IonicContact NH2-OD1 3.63Å; R187-D189 PolarHBondContact NH2-OD1 2.93Å; R187-D189 IonicContact NH2-OD2 3.6Å; R187-D189 PolarHBondContact NH2-OD2 2.91Å; R187-D189 PolarHBondContact O-N 3.18Å; R187-D189 VanDerWaalsContact O-N 3.07Å; D189-S191 VanDerWaalsContact C-N 3.26Å; D189-S191 PolarHBondContact O-N 3.23Å; D189-V195 HydrophobicContact CB-CG2 4.18Å
190	E	94.1	Very high	95.3	Very high	15 Å²	15	36.5 Å²	36.5	7%	0.07	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-72.4	-18.6	177.5	-167.4	176.6	-155.1	0	0	112.5	L37 R40 R60 R95 V185 E186 R187 V188	L37-E190 HydrophobicContact CB-CG 4.26Å; R40-E190 IonicContact CZ-OE1 3.61Å; R40-E190 IonicContact CZ-OE2 3.92Å; R40-E190 IonicContact NH1-OE1 2.73Å; R40-E190 PolarHBondContact NH1-OE1 3.13Å; R40-E190 IonicContact NH1-OE2 3.52Å; R40-E190 PolarHBondContact NH1-OE2 3.22Å; R40-E190 VanDerWaalsContact NH2-CD 3.32Å; R40-E190 IonicContact NH2-OE1 3.32Å; R40-E190 PolarHBondContact NH2-OE1 2.95Å; R40-E190 IonicContact NH2-OE2 3.45Å; R40-E190 PolarHBondContact NH2-OE2 2.52Å; R60-E190 IonicContact NH1-OE1 3.2Å; R60-E190 PolarHBondContact NH1-OE1 3.05Å; R60-E190 IonicContact NH2-OE1 2.74Å; R95-E190 VanDerWaalsContact CZ-O 3.31Å; R95-E190 PolarHBondContact NH2-O 2.85Å; V185-E190 WeakPolarHBondContact CA-OE2 3.47Å; V185-E190 HydrophobicContact CB-CB 4.09Å; V185-E190 HydrophobicContact CG1-CB 3.88Å; E186-E190 PolarHBondContact N-OE2 2.74Å; R187-E190 WeakPolarHBondContact O-CB 3.28Å; R187-E190 PolarHBondContact O-N 3.44Å; V188-E190 VanDerWaalsContact C-N 3.26Å; V188-E190 PolarHBondContact O-N 3.37Å
191	S	96.4	Very high	94.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	18%	0.181	C	C	.	.	S	Bend	trans	-126	144.6	168	163.5	0	0	0	0	111.4	L181 D189 V193 T194 V195	L181-S191 WeakPolarHBondContact O-CB 3.31Å; L181-S191 PolarHBondContact O-OG 2.85Å; D189-S191 VanDerWaalsContact C-N 3.26Å; D189-S191 PolarHBondContact O-N 3.23Å; S191-V193 PolarHBondContact O-N 2.9Å; S191-V193 PolarHBondContact OG-N 2.73Å; S191-T194 VanDerWaalsContact CB-OG1 3.25Å; S191-T194 WeakPolarHBondContact CB-OG1 3.23Å; S191-T194 PolarHBondContact N-OG1 2.86Å; S191-T194 PolarHBondContact O-N 2.82Å; S191-T194 PolarHBondContact O-OG1 2.81Å; S191-V195 PolarHBondContact O-N 2.71Å; S191-V195 VanDerWaalsContact O-N 3.07Å
192	A	94.3	Very high	93.5	Very high	36 Å²	36	41.8 Å²	41.8	30%	0.298	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-9.9	173.5	0	0	0	0	0	113.5	I180	I180-A192 HydrophobicContact CD1-CB 3.73Å; I180-A192 HydrophobicContact CG1-CB 4.28Å
193	V	97.4	Very high	91.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-51.8	169.9	-179.8	0	0	0	0	110.2	I180 Y182 S191 V195 L196 P217 M257 F309	I180-V193 HydrophobicContact CD1-CG2 3.57Å; I180-V193 HydrophobicContact CG1-CG2 3.85Å; Y182-V193 HydrophobicContact CG-CB 4.43Å; Y182-V193 HydrophobicContact CG-CG1 4.26Å; S191-V193 PolarHBondContact O-N 2.9Å; S191-V193 PolarHBondContact OG-N 2.73Å; V193-V195 PolarHBondContact O-N 3.47Å; V193-L196 VanDerWaalsContact O-CB 3.22Å; V193-L196 WeakPolarHBondContact O-CB 3.42Å; V193-L196 VanDerWaalsContact O-CG 3.24Å; V193-L196 WeakPolarHBondContact O-CG 3.44Å; V193-L196 PolarHBondContact O-N 2.87Å; V193-P217 HydrophobicContact CG2-CB 4.36Å; V193-M257 HydrophobicContact CB-SD 4.45Å; V193-M257 HydrophobicContact CG1-SD 4.04Å; V193-M257 HydrophobicContact CG2-SD 3.82Å; V193-F309 HydrophobicContact CG1-CE2 3.74Å; V193-F309 HydrophobicContact CG1-CZ 3.76Å
194	T	97.1	Very high	89.9	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-24.7	-174.8	53.3	0	0	0	0	112.7	V185 V188 S191 L196 W197 L317	V185-T194 HydrophobicContact CG1-CG2 3.98Å; V185-T194 HydrophobicContact CG2-CG2 4.12Å; V188-T194 CarbonylContact O-C 3.53Å; V188-T194 VanDerWaalsContact O-CB 3.32Å; V188-T194 WeakPolarHBondContact O-CB 3.33Å; V188-T194 PolarHBondContact O-OG1 3.1Å; S191-T194 VanDerWaalsContact CB-OG1 3.25Å; S191-T194 WeakPolarHBondContact CB-OG1 3.23Å; S191-T194 PolarHBondContact N-OG1 2.86Å; S191-T194 PolarHBondContact O-N 2.82Å; S191-T194 PolarHBondContact O-OG1 2.81Å; T194-L196 PolarHBondContact O-N 3.45Å; T194-L196 VanDerWaalsContact O-N 3.16Å; T194-W197 WeakPolarHBondContact O-CB 3.46Å; T194-W197 PolarHBondContact O-N 2.82Å; T194-L317 HydrophobicContact CG2-CD2 3.96Å; T194-L317 HydrophobicContact CG2-CG 4.45Å
195	V	95.2	Very high	88.9	Confident	50 Å²	50	51.6 Å²	51.6	30%	0.303	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.4	175	74.4	0	0	0	0	112.8	V188 D189 S191 V193 W197	V188-V195 WeakPolarHBondContact O-CA 3.46Å; V188-V195 PolarHBondContact O-N 3Å; D189-V195 HydrophobicContact CB-CG2 4.18Å; S191-V195 PolarHBondContact O-N 2.71Å; S191-V195 VanDerWaalsContact O-N 3.07Å; V193-V195 PolarHBondContact O-N 3.47Å; V195-W197 PolarHBondContact O-N 3.3Å
196	L	95.4	Very high	88.3	Confident	4 Å²	4	55.8 Å²	55.8	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-67	-17.6	172.4	-59.6	173	0	0	0	111.9	V193 T194 D198 K199 V200 V209 K254 M257 A258 I261	V193-L196 VanDerWaalsContact O-CB 3.22Å; V193-L196 WeakPolarHBondContact O-CB 3.42Å; V193-L196 VanDerWaalsContact O-CG 3.24Å; V193-L196 WeakPolarHBondContact O-CG 3.44Å; V193-L196 PolarHBondContact O-N 2.87Å; T194-L196 PolarHBondContact O-N 3.45Å; T194-L196 VanDerWaalsContact O-N 3.16Å; L196-D198 VanDerWaalsContact C-N 3.33Å; L196-D198 PolarHBondContact O-N 3.43Å; L196-K199 PolarHBondContact O-N 3.07Å; L196-V200 WeakPolarHBondContact O-CG2 3.42Å; L196-V200 PolarHBondContact O-N 2.88Å; L196-V209 HydrophobicContact CD2-CG1 4.17Å; L196-K254 HydrophobicContact CD1-CB 4.38Å; L196-K254 HydrophobicContact CD1-CG 4.49Å; L196-K254 WeakPolarHBondContact CD1-O 3.32Å; L196-K254 HydrophobicContact CD2-CB 4.18Å; L196-K254 HydrophobicContact CD2-CD 4.31Å; L196-K254 HydrophobicContact CD2-CG 4.41Å; L196-M257 HydrophobicContact CD1-CB 3.7Å; L196-A258 HydrophobicContact CB-CB 4.33Å; L196-A258 HydrophobicContact CD1-CB 4.38Å; L196-I261 HydrophobicContact CB-CD1 4.02Å; L196-I261 HydrophobicContact CD1-CD1 4.36Å
197	W	94.8	Very high	88	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-56.5	-43.6	179.2	-176.1	-115	0	0	0	113.5	V188 T194 V195 K199 V200 Q201 I261 F265 L267 L317 F320 L321	V188-W197 HydrophobicContact CG1-CB 4.25Å; V188-W197 HydrophobicContact CG1-CG 4.3Å; T194-W197 WeakPolarHBondContact O-CB 3.46Å; T194-W197 PolarHBondContact O-N 2.82Å; V195-W197 PolarHBondContact O-N 3.3Å; W197-K199 VanDerWaalsContact C-N 3.29Å; W197-K199 PolarHBondContact O-N 3.21Å; W197-V200 PolarHBondContact O-N 3.37Å; W197-Q201 HydrophobicContact CD2-CG 3.93Å; W197-Q201 HydrophobicContact CE3-CG 4.3Å; W197-Q201 HydrophobicContact CG-CG 4.46Å; W197-Q201 HydrophobicContact CH2-CG 4.22Å; W197-Q201 VanDerWaalsContact CZ2-CD 3.48Å; W197-Q201 HydrophobicContact CZ2-CG 3.85Å; W197-Q201 HydrophobicContact CZ3-CG 4.41Å; W197-Q201 VanDerWaalsContact NE1-NE2 3.19Å; W197-Q201 PolarHBondContact O-N 3.13Å; W197-I261 HydrophobicContact CE3-CG2 3.55Å; W197-I261 HydrophobicContact CZ3-CG2 3.79Å; W197-F265 HydrophobicContact CE3-CD2 4.47Å; W197-F265 HydrophobicContact CE3-CE2 4.44Å; W197-F265 HydrophobicContact CH2-CB 4.24Å; W197-F265 AromaticContact CH2-CD1 3.64Å; W197-F265 HydrophobicContact CH2-CD1 3.64Å; W197-F265 AromaticContact CH2-CD2 3.59Å; W197-F265 HydrophobicContact CH2-CD2 3.59Å; W197-F265 AromaticContact CH2-CE1 3.79Å; W197-F265 HydrophobicContact CH2-CE1 3.79Å; W197-F265 AromaticContact CH2-CE2 3.73Å; W197-F265 HydrophobicContact CH2-CE2 3.73Å; W197-F265 AromaticContact CH2-CG 3.54Å; W197-F265 HydrophobicContact CH2-CG 3.54Å; W197-F265 AromaticContact CH2-CZ 3.82Å; W197-F265 HydrophobicContact CH2-CZ 3.82Å; W197-F265 HydrophobicContact CZ3-CB 4.34Å; W197-F265 HydrophobicContact CZ3-CD1 4.27Å; W197-F265 AromaticContact CZ3-CD2 3.34Å; W197-F265 HydrophobicContact CZ3-CD2 3.34Å; W197-F265 HydrophobicContact CZ3-CE1 4.45Å; W197-F265 AromaticContact CZ3-CE2 3.56Å; W197-F265 HydrophobicContact CZ3-CE2 3.56Å; W197-F265 AromaticContact CZ3-CG 3.72Å; W197-F265 HydrophobicContact CZ3-CG 3.72Å; W197-F265 HydrophobicContact CZ3-CZ 4.12Å; W197-L267 HydrophobicContact CH2-CD1 4.38Å; W197-L267 HydrophobicContact CZ3-CD1 4.38Å; W197-L317 HydrophobicContact CB-CD1 4.15Å; W197-L317 HydrophobicContact CB-CD2 3.99Å; W197-L317 HydrophobicContact CD2-CB 4.35Å; W197-L317 HydrophobicContact CD2-CD1 4.08Å; W197-L317 HydrophobicContact CD2-CD2 4.37Å; W197-L317 HydrophobicContact CE3-CB 4.33Å; W197-L317 HydrophobicContact CE3-CD1 3.74Å; W197-L317 HydrophobicContact CG-CD1 4.33Å; W197-L317 HydrophobicContact CG-CD2 4.06Å; W197-L317 HydrophobicContact CZ3-CD1 4.42Å; W197-F320 PolarHBondContact NE1-O 3.44Å; W197-L321 HydrophobicContact CH2-CD1 3.91Å; W197-L321 HydrophobicContact CZ2-CB 4.16Å; W197-L321 HydrophobicContact CZ2-CD1 3.97Å
198	D	90.8	Very high	87.9	Confident	55 Å²	55	48.2 Å²	48.2	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-60.6	-43.1	-179.3	-61.9	-28.9	0	0	0	110.4	V188 L196 V200 Q201 E202	V188-D198 WeakPolarHBondContact CG2-OD2 3.35Å; L196-D198 VanDerWaalsContact C-N 3.33Å; L196-D198 PolarHBondContact O-N 3.43Å; D198-V200 VanDerWaalsContact C-N 3.32Å; D198-V200 PolarHBondContact O-N 3.01Å; D198-Q201 PolarHBondContact O-N 3.18Å; D198-E202 WeakPolarHBondContact O-CB 3.25Å; D198-E202 VanDerWaalsContact O-CG 3.32Å; D198-E202 WeakPolarHBondContact O-CG 3.42Å; D198-E202 PolarHBondContact O-N 3.29Å; D198-E202 VanDerWaalsContact O-N 3.16Å
199	K	90.9	Very high	87.9	Confident	70 Å²	70	47.5 Å²	47.5	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-33.4	175.3	-61.6	-176.7	171.3	-104.8	0	112.8	L196 W197 C207 S208 V209 H271 L272	L196-K199 PolarHBondContact O-N 3.07Å; W197-K199 VanDerWaalsContact C-N 3.29Å; W197-K199 PolarHBondContact O-N 3.21Å; K199-C207 PolarHBondContact NZ-SG 3.32Å; K199-S208 PolarHBondContact NZ-O 2.56Å; K199-V209 HydrophobicContact CD-CG2 4.06Å; K199-H271 PolarHBondContact O-NE2 3.33Å; K199-L272 HydrophobicContact CB-CD2 4.37Å
200	V	91.8	Very high	87.9	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-74.2	-40.2	179.8	171	0	0	0	0	111.3	L196 W197 D198 A258 I261 A262 L267 H271 L272	L196-V200 WeakPolarHBondContact O-CG2 3.42Å; L196-V200 PolarHBondContact O-N 2.88Å; W197-V200 PolarHBondContact O-N 3.37Å; D198-V200 VanDerWaalsContact C-N 3.32Å; D198-V200 PolarHBondContact O-N 3.01Å; V200-A258 HydrophobicContact CG2-CB 4.05Å; V200-A258 WeakPolarHBondContact CG2-O 3.32Å; V200-I261 HydrophobicContact CB-CG2 4.35Å; V200-I261 HydrophobicContact CG1-CG2 4.21Å; V200-I261 HydrophobicContact CG2-CB 4.28Å; V200-I261 HydrophobicContact CG2-CG2 4.03Å; V200-A262 HydrophobicContact CG1-CB 3.8Å; V200-L267 HydrophobicContact CG1-CB 4.46Å; V200-L267 HydrophobicContact CG1-CD1 3.95Å; V200-H271 PolarHBondContact O-CE1 2.88Å; V200-L272 HydrophobicContact CG2-CD1 4.33Å
201	Q	85.6	Confident	88	Confident	25 Å²	25	46.7 Å²	46.7	12%	0.117	28%	0.283	C	S	.	.	H	α-helix	trans	-76.6	-30.1	-177.4	-73.3	-167	-41.6	0	0	114	W197 D198 G203 L267 F320	W197-Q201 HydrophobicContact CD2-CG 3.93Å; W197-Q201 HydrophobicContact CE3-CG 4.3Å; W197-Q201 HydrophobicContact CG-CG 4.46Å; W197-Q201 HydrophobicContact CH2-CG 4.22Å; W197-Q201 VanDerWaalsContact CZ2-CD 3.48Å; W197-Q201 HydrophobicContact CZ2-CG 3.85Å; W197-Q201 HydrophobicContact CZ3-CG 4.41Å; W197-Q201 VanDerWaalsContact NE1-NE2 3.19Å; W197-Q201 PolarHBondContact O-N 3.13Å; D198-Q201 PolarHBondContact O-N 3.18Å; Q201-G203 PolarHBondContact O-N 3.16Å; Q201-L267 HydrophobicContact CG-CD1 4.45Å; Q201-F320 PolarHBondContact NE2-O 3.24Å
202	E	72	Confident	87.8	Confident	136 Å²	136	47.8 Å²	47.8	64%	0.636	29%	0.29	S	S	*	.			trans	-78.1	66.9	179.1	-69.7	175.6	-175.1	0	0	111.5	D198 A204 H271	D198-E202 WeakPolarHBondContact O-CB 3.25Å; D198-E202 VanDerWaalsContact O-CG 3.32Å; D198-E202 WeakPolarHBondContact O-CG 3.42Å; D198-E202 PolarHBondContact O-N 3.29Å; D198-E202 VanDerWaalsContact O-N 3.16Å; E202-A204 PolarHBondContact O-N 3.19Å; E202-H271 PolarHBondContact O-CD2 2.98Å
203	G	61.5	Low	87.7	Confident	55 Å²	55	46.3 Å²	46.3	57%	0.567	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	12.9	-176.5	0	0	0	0	0	116.5	Q201	Q201-G203 PolarHBondContact O-N 3.16Å
204	A	59.1	Low	87.7	Confident	100 Å²	100	48.8 Å²	48.8	83%	0.826	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-27.2	-175.8	0	0	0	0	0	113.6	E202	E202-A204 PolarHBondContact O-N 3.19Å
205	E	76.5	Confident	87.7	Confident	162 Å²	162	49.7 Å²	49.7	76%	0.757	29%	0.292	S	S	*	.	S	Bend	trans	-122.6	138	-179.7	-65.6	-171.6	171.8	0	0	110.5	C207	E205-C207 PolarHBondContact O-N 3.26Å
206	S	84.6	Confident	87.9	Confident	98 Å²	98	47.7 Å²	47.7	69%	0.685	28%	0.279	S	S	*	.			trans	-62	130.1	175.1	-62.2	0	0	0	0	110.2	H271	S206-H271 CarbonylContact C-O 3.56Å; S206-H271 VanDerWaalsContact CA-O 3.32Å; S206-H271 WeakPolarHBondContact CA-O 3.24Å
207	C	88.6	Confident	88	Confident	32 Å²	32	47.8 Å²	47.8	22%	0.216	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.2	-175.2	-166.4	0	0	0	0	111	K199 E205 H271 I273	K199-C207 PolarHBondContact NZ-SG 3.32Å; E205-C207 PolarHBondContact O-N 3.26Å; C207-H271 PolarHBondContact N-O 2.94Å; C207-I273 PolarHBondContact O-N 3.43Å
208	S	91.7	Very high	88.2	Confident	71 Å²	71	47.7 Å²	47.7	50%	0.497	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.4	175.8	-55.9	0	0	0	0	111.9	K199 I273	K199-S208 PolarHBondContact NZ-O 2.56Å; S208-I273 CarbonylContact C-O 3.56Å; S208-I273 VanDerWaalsContact CA-O 3.31Å; S208-I273 WeakPolarHBondContact CA-O 3.45Å
209	V	93.8	Very high	88.6	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.024	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134	178.5	-166.4	0	0	0	0	109.8	L196 K199 H211 K254 Y255 L272 I273 P274 M275	L196-V209 HydrophobicContact CD2-CG1 4.17Å; K199-V209 HydrophobicContact CD-CG2 4.06Å; V209-H211 PolarHBondContact O-N 3.49Å; V209-K254 HydrophobicContact CG1-CB 3.87Å; V209-Y255 HydrophobicContact CB-CD2 4.3Å; V209-L272 HydrophobicContact CG2-CB 4.45Å; V209-L272 HydrophobicContact CG2-CD2 4.08Å; V209-I273 PolarHBondContact N-O 2.92Å; V209-P274 CarbonylContact O-C 3.59Å; V209-M275 PolarHBondContact O-N 3.35Å
210	E	93.9	Very high	89	Confident	22 Å²	22	42.9 Å²	42.9	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	131.7	-177.9	177.2	-85.5	119.6	0	0	112.7	C212 Q213 K254 Y255 M275	E210-C212 PolarHBondContact OE1-N 3.47Å; E210-C212 PolarHBondContact OE1-SG 3.2Å; E210-C212 VanDerWaalsContact OE1-SG 3.4Å; E210-Q213 PolarHBondContact OE1-N 3.45Å; E210-K254 HydrophobicContact CB-CB 4.44Å; E210-K254 WeakPolarHBondContact O-CB 3.24Å; E210-K254 PolarHBondContact O-N 3.23Å; E210-Y255 PolarHBondContact O-N 2.9Å; E210-M275 HydrophobicContact CB-CE 4.28Å
211	H	96.1	Very high	89.3	Confident	54 Å²	54	45.4 Å²	45.4	25%	0.25	27%	0.269	C	S	.	.			trans	-135.1	36.2	-175.4	-167.3	44	0	0	0	112.6	V209 T253 Y255 E256 P274 M275	V209-H211 PolarHBondContact O-N 3.49Å; H211-T253 PolarHBondContact ND1-OG1 3.08Å; H211-Y255 HydrophobicContact CB-CG 4.39Å; H211-Y255 AromaticContact CG-CD1 4Å; H211-Y255 AromaticContact ND1-CD1 3.76Å; H211-E256 IonicContact CE1-OE1 2.64Å; H211-E256 IonicContact CE1-OE2 2.83Å; H211-P274 HydrophobicContact CB-CB 3.87Å; H211-M275 PolarHBondContact N-O 2.97Å
212	C	92.1	Very high	89.9	Confident	25 Å²	25	44.3 Å²	44.3	17%	0.169	26%	0.264	C	S	.	.	S	Bend	trans	-120.9	-30.8	-178.3	63.2	0	0	0	0	114.4	E210 T276	E210-C212 PolarHBondContact OE1-N 3.47Å; E210-C212 PolarHBondContact OE1-SG 3.2Å; E210-C212 VanDerWaalsContact OE1-SG 3.4Å; C212-T276 WeakPolarHBondContact CB-O 3.28Å
213	Q	93.4	Very high	91.2	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.023	23%	0.234	C	C	.	.	S	Bend	trans	-94.9	118.5	-177.7	-68.6	174.4	19.4	0	0	111	E210 T253	E210-Q213 PolarHBondContact OE1-N 3.45Å; Q213-T253 WeakPolarHBondContact O-CA 3.48Å
214	Q	96.9	Very high	93	Very high	52 Å²	52	35.2 Å²	35.2	24%	0.243	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-76.1	126.5	174.3	-55.5	-57	-41.6	0	0	109.5	Q251 Q288 N289	Q214-Q251 HydrophobicContact CB-CG 4.25Å; Q214-Q288 PolarHBondContact N-O 3.22Å; Q214-N289 HydrophobicContact CB-CB 3.85Å; Q214-N289 HydrophobicContact CG-CB 4.23Å
215	R	97.8	Very high	94.9	Very high	19 Å²	19	33.8 Å²	33.8	7%	0.072	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-133	162.6	-178.1	-57.7	169.4	173.5	-85.8	-2.3	110	I180 Q251 M252 M257	I180-R215 HydrophobicContact CG2-CB 3.97Å; R215-Q251 WeakPolarHBondContact O-CA 3.32Å; R215-M252 CarbonylContact C-O 3.44Å; R215-M252 WeakPolarHBondContact CA-O 3.49Å; R215-M252 VanDerWaalsContact CB-O 3.28Å; R215-M252 WeakPolarHBondContact CB-O 3.49Å; R215-M252 PolarHBondContact N-O 2.92Å; R215-M252 PolarHBondContact O-N 3.06Å; R215-M252 VanDerWaalsContact O-O 3.08Å; R215-M257 HydrophobicContact CB-CE 4.16Å
216	F	98.3	Very high	95.9	Very high	8 Å²	8	26.1 Å²	26.1	4%	0.035	14%	0.144	C	C	.	.			trans	-126	85.4	177.6	-67.9	-95.3	0	0	0	108.5	P179 T218 S247 G248 Q251 R291	P179-F216 HydrophobicContact CG-CB 4.24Å; P179-F216 WeakPolarHBondContact CG-O 3.45Å; F216-T218 PolarHBondContact O-N 2.98Å; F216-T218 VanDerWaalsContact O-N 3.08Å; F216-T218 PolarHBondContact O-OG1 3.41Å; F216-S247 WeakPolarHBondContact CB-OG 3.33Å; F216-G248 WeakPolarHBondContact CD1-O 3.49Å; F216-Q251 HydrophobicContact CD1-CB 4.36Å; F216-Q251 HydrophobicContact CE1-CB 3.64Å; F216-Q251 HydrophobicContact CE1-CG 4.12Å; F216-Q251 HydrophobicContact CE2-CB 4.5Å; F216-Q251 HydrophobicContact CE2-CG 4.1Å; F216-Q251 HydrophobicContact CZ-CB 3.7Å; F216-Q251 HydrophobicContact CZ-CG 3.65Å; F216-R291 HydrophobicContact CD2-CB 4.25Å; F216-R291 HydrophobicContact CD2-CG 4.37Å; F216-R291 HydrophobicContact CE1-CG 4.15Å; F216-R291 HydrophobicContact CE2-CB 3.48Å; F216-R291 VanDerWaalsContact CE2-CB 3.48Å; F216-R291 HydrophobicContact CE2-CG 3.64Å; F216-R291 HydrophobicContact CZ-CB 3.84Å; F216-R291 HydrophobicContact CZ-CG 3.51Å
217	P	98.4	Very high	96.6	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.039	11%	0.112	C	C	.	.			trans	-55.5	119.7	-179.1	24.2	-33.9	0	0	0	110.3	Y182 V193 E250 M252 M257 F309	Y182-P217 HydrophobicContact CD1-CB 3.88Å; Y182-P217 HydrophobicContact CE1-CB 3.85Å; V193-P217 HydrophobicContact CG2-CB 4.36Å; P217-E250 WeakPolarHBondContact CD-O 3.38Å; P217-M252 HydrophobicContact CG-SD 4.35Å; P217-M257 HydrophobicContact CB-SD 3.87Å; P217-M257 HydrophobicContact CG-CG 4.3Å; P217-M257 HydrophobicContact CG-SD 3.99Å; P217-F309 HydrophobicContact CB-CD2 3.64Å; P217-F309 HydrophobicContact CB-CE2 3.59Å; P217-F309 HydrophobicContact CG-CD2 3.58Å; P217-F309 HydrophobicContact CG-CE2 3.83Å; P217-F309 HydrophobicContact CG-CG 4.19Å
218	T	98.7	Very high	97	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.2	-173.8	-60.9	0	0	0	0	110.4	P179 I180 L181 Y182 F216 V223 Y246 G248	P179-T218 WeakPolarHBondContact CG-OG1 3.41Å; I180-T218 PolarHBondContact O-N 3.28Å; L181-T218 WeakPolarHBondContact CA-O 3.37Å; L181-T218 HydrophobicContact CD2-CG2 4.19Å; Y182-T218 WeakPolarHBondContact CD1-O 3.37Å; Y182-T218 VanDerWaalsContact CE1-C 3.46Å; Y182-T218 PolarHBondContact N-O 2.97Å; F216-T218 PolarHBondContact O-N 2.98Å; F216-T218 VanDerWaalsContact O-N 3.08Å; F216-T218 PolarHBondContact O-OG1 3.41Å; T218-V223 HydrophobicContact CG2-CG2 3.62Å; T218-Y246 HydrophobicContact CG2-CD1 3.89Å; T218-Y246 HydrophobicContact CG2-CE1 3.82Å; T218-G248 PolarHBondContact OG1-N 3.31Å
219	Y	98.8	Very high	97.3	Very high	22 Å²	22	20.3 Å²	20.3	9%	0.086	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129	-176	-173.5	-146.1	0	0	0	110.4	Y182 N221 D222 V223 I307 A312	Y182-Y219 HydrophobicContact CD2-CD2 4.39Å; Y182-Y219 HydrophobicContact CE2-CD2 4.06Å; Y182-Y219 WeakPolarHBondContact O-CA 3.39Å; Y182-Y219 WeakPolarHBondContact O-CD2 3.45Å; Y219-N221 HydrophobicContact CD1-CB 3.84Å; Y219-N221 HydrophobicContact CE1-CB 3.55Å; Y219-N221 HydrophobicContact CE2-CB 4.46Å; Y219-N221 HydrophobicContact CG-CB 4.45Å; Y219-N221 PolarHBondContact O-N 3.06Å; Y219-N221 PolarHBondContact OH-ND2 2.91Å; Y219-D222 WeakPolarHBondContact O-CB 3.45Å; Y219-D222 PolarHBondContact O-N 3.21Å; Y219-V223 PolarHBondContact O-N 2.74Å; Y219-I307 HydrophobicContact CD1-CB 4.22Å; Y219-I307 HydrophobicContact CD1-CD1 3.88Å; Y219-I307 HydrophobicContact CE1-CD1 3.75Å; Y219-A312 HydrophobicContact CD1-CB 3.81Å; Y219-A312 HydrophobicContact CD2-CB 4.07Å; Y219-A312 HydrophobicContact CE1-CB 3.96Å; Y219-A312 HydrophobicContact CE2-CB 4.26Å; Y219-A312 HydrophobicContact CG-CB 3.86Å
220	V	98.8	Very high	97.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-63.3	-28	-175	-65.2	0	0	0	0	113.1	L37 L38 A41 L181 Y182 D222 V223 A224	L37-V220 HydrophobicContact CD1-CG1 4.22Å; L37-V220 HydrophobicContact CD1-CG2 4.42Å; L37-V220 HydrophobicContact CD2-CG1 4.27Å; L37-V220 HydrophobicContact CG-CG1 3.83Å; L38-V220 HydrophobicContact CB-CG1 4.47Å; L38-V220 HydrophobicContact CD1-CB 4.03Å; L38-V220 HydrophobicContact CD1-CG1 4.26Å; A41-V220 HydrophobicContact CB-CB 3.86Å; A41-V220 HydrophobicContact CB-CG2 3.64Å; L181-V220 HydrophobicContact CB-CG1 3.97Å; L181-V220 HydrophobicContact CD1-CG1 4.4Å; Y182-V220 VanDerWaalsContact O-CG1 3.24Å; Y182-V220 WeakPolarHBondContact O-CG1 3.34Å; Y182-V220 WeakPolarHBondContact O-CG2 3.43Å; Y182-V220 PolarHBondContact O-N 3.47Å; V220-D222 VanDerWaalsContact C-N 3.27Å; V220-D222 PolarHBondContact O-N 2.86Å; V220-V223 PolarHBondContact O-N 3.01Å; V220-A224 WeakPolarHBondContact O-CB 3.48Å; V220-A224 PolarHBondContact O-N 2.63Å
221	N	98.6	Very high	97.8	Very high	55 Å²	55	19.1 Å²	19.1	29%	0.294	9%	0.088	S	C	.	.	H	α-helix	trans	-69.2	-31.2	175.2	-67.8	4.1	0	0	0	111.1	Y219 A224 R225	Y219-N221 HydrophobicContact CD1-CB 3.84Å; Y219-N221 HydrophobicContact CE1-CB 3.55Å; Y219-N221 HydrophobicContact CE2-CB 4.46Å; Y219-N221 HydrophobicContact CG-CB 4.45Å; Y219-N221 PolarHBondContact O-N 3.06Å; Y219-N221 PolarHBondContact OH-ND2 2.91Å; N221-A224 PolarHBondContact O-N 3.29Å; N221-R225 WeakPolarHBondContact O-CG 3.18Å; N221-R225 PolarHBondContact O-N 2.93Å
222	D	98.6	Very high	97.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.011	9%	0.086	C	C	.	.	H	α-helix	trans	-72.8	-42.4	177.4	-58.1	-15.3	0	0	0	110.6	Y219 V220 A224 R225 V226 Y246 V304 P306 I307	Y219-D222 WeakPolarHBondContact O-CB 3.45Å; Y219-D222 PolarHBondContact O-N 3.21Å; V220-D222 VanDerWaalsContact C-N 3.27Å; V220-D222 PolarHBondContact O-N 2.86Å; D222-A224 VanDerWaalsContact C-N 3.28Å; D222-A224 PolarHBondContact O-N 3.39Å; D222-R225 WeakPolarHBondContact O-CB 3.35Å; D222-R225 PolarHBondContact O-N 3.06Å; D222-R225 IonicContact OD1-CZ 3.81Å; D222-R225 IonicContact OD1-NE 2.81Å; D222-R225 IonicContact OD1-NH2 3.41Å; D222-R225 PolarHBondContact OD1-NH2 3.01Å; D222-V226 WeakPolarHBondContact O-CG2 3.33Å; D222-V226 PolarHBondContact O-N 3.27Å; D222-Y246 HydrophobicContact CB-CE1 3.79Å; D222-Y246 VanDerWaalsContact CB-OH 3.28Å; D222-Y246 WeakPolarHBondContact CB-OH 3.36Å; D222-V304 HydrophobicContact CB-CG1 4.22Å; D222-P306 WeakPolarHBondContact OD2-CA 3.29Å; D222-I307 PolarHBondContact OD2-N 3.27Å
223	V	98.8	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-41.2	171.3	-177.9	0	0	0	0	111.1	L38 L176 V178 L181 T218 Y219 V220 V226 C227 Y246	L38-V223 HydrophobicContact CD1-CB 3.75Å; L38-V223 HydrophobicContact CD1-CG1 3.61Å; L38-V223 HydrophobicContact CD2-CG1 4.09Å; L176-V223 HydrophobicContact CD2-CG1 4.1Å; V178-V223 HydrophobicContact CG1-CG1 4.01Å; V178-V223 HydrophobicContact CG1-CG2 4.14Å; L181-V223 HydrophobicContact CD2-CG2 3.9Å; T218-V223 HydrophobicContact CG2-CG2 3.62Å; Y219-V223 PolarHBondContact O-N 2.74Å; V220-V223 PolarHBondContact O-N 3.01Å; V223-V226 WeakPolarHBondContact O-CB 3.47Å; V223-V226 PolarHBondContact O-N 3.32Å; V223-C227 PolarHBondContact O-N 2.99Å; V223-C227 PolarHBondContact O-SG 3.02Å; V223-Y246 HydrophobicContact CG2-CD1 3.91Å; V223-Y246 HydrophobicContact CG2-CE1 4.22Å
224	A	98.8	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.3	-43.8	176.9	0	0	0	0	0	111.8	A41 V42 E45 V220 N221 D222 V226 C227 R228	A41-A224 HydrophobicContact CB-CB 4.22Å; V42-A224 HydrophobicContact CG2-CB 4.08Å; E45-A224 HydrophobicContact CB-CB 3.71Å; E45-A224 HydrophobicContact CG-CB 4.14Å; V220-A224 WeakPolarHBondContact O-CB 3.48Å; V220-A224 PolarHBondContact O-N 2.63Å; N221-A224 PolarHBondContact O-N 3.29Å; D222-A224 VanDerWaalsContact C-N 3.28Å; D222-A224 PolarHBondContact O-N 3.39Å; A224-V226 VanDerWaalsContact C-N 3.33Å; A224-V226 PolarHBondContact O-N 2.92Å; A224-C227 WeakPolarHBondContact O-CB 3.47Å; A224-C227 PolarHBondContact O-N 2.87Å; A224-R228 PolarHBondContact O-N 3.21Å
225	R	98.6	Very high	97.9	Very high	71 Å²	71	25 Å²	25	27%	0.268	11%	0.109	S	C	.	.	H	α-helix	trans	-58.2	-44	173.5	-72.9	-172.9	-67	161.3	4.6	111.3	N221 D222 R228 Q229 V304 E305	N221-R225 WeakPolarHBondContact O-CG 3.18Å; N221-R225 PolarHBondContact O-N 2.93Å; D222-R225 WeakPolarHBondContact O-CB 3.35Å; D222-R225 PolarHBondContact O-N 3.06Å; D222-R225 IonicContact OD1-CZ 3.81Å; D222-R225 IonicContact OD1-NE 2.81Å; D222-R225 IonicContact OD1-NH2 3.41Å; D222-R225 PolarHBondContact OD1-NH2 3.01Å; R225-R228 PolarHBondContact O-N 2.98Å; R225-Q229 WeakPolarHBondContact O-CG 3.44Å; R225-Q229 PolarHBondContact O-N 3.24Å; R225-V304 HydrophobicContact CB-CG1 4.13Å; R225-V304 HydrophobicContact CB-CG2 3.89Å; R225-V304 VanDerWaalsContact NH2-CG1 3.3Å; R225-E305 PolarHBondContact NH2-O 2.76Å; R225-E305 VanDerWaalsContact NH2-O 3.08Å
226	V	98.6	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-47.9	174.9	172.5	0	0	0	0	111.1	L176 D222 V223 A224 R228 Q229 M230 Y246 L297 V304	L176-V226 HydrophobicContact CD1-CG1 4.2Å; L176-V226 HydrophobicContact CD2-CG1 4.03Å; D222-V226 WeakPolarHBondContact O-CG2 3.33Å; D222-V226 PolarHBondContact O-N 3.27Å; V223-V226 WeakPolarHBondContact O-CB 3.47Å; V223-V226 PolarHBondContact O-N 3.32Å; A224-V226 VanDerWaalsContact C-N 3.33Å; A224-V226 PolarHBondContact O-N 2.92Å; V226-R228 VanDerWaalsContact C-N 3.31Å; V226-R228 PolarHBondContact O-N 3.36Å; V226-Q229 PolarHBondContact O-N 2.65Å; V226-M230 HydrophobicContact CG1-CG 4.2Å; V226-M230 HydrophobicContact CG1-SD 3.8Å; V226-M230 WeakPolarHBondContact O-CB 3.27Å; V226-M230 VanDerWaalsContact O-CG 3.29Å; V226-M230 WeakPolarHBondContact O-CG 3.11Å; V226-M230 PolarHBondContact O-N 3.16Å; V226-Y246 HydrophobicContact CG2-CD1 4.16Å; V226-Y246 HydrophobicContact CG2-CD2 3.55Å; V226-Y246 HydrophobicContact CG2-CE1 4.26Å; V226-Y246 HydrophobicContact CG2-CE2 3.66Å; V226-Y246 HydrophobicContact CG2-CG 3.8Å; V226-L297 HydrophobicContact CG1-CD1 3.75Å; V226-L297 HydrophobicContact CG1-CD2 4.37Å; V226-V304 HydrophobicContact CB-CG2 4.48Å; V226-V304 HydrophobicContact CG2-CB 3.83Å; V226-V304 HydrophobicContact CG2-CG2 3.52Å
227	C	98.8	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.6	-44.3	178.7	-66.5	0	0	0	0	111.8	F46 I128 V223 A224 A231	F46-C227 HydrophobicContact CE2-CB 4.25Å; I128-C227 HydrophobicContact CD1-CB 4.33Å; I128-C227 WeakPolarHBondContact CD1-O 3.48Å; V223-C227 PolarHBondContact O-N 2.99Å; V223-C227 PolarHBondContact O-SG 3.02Å; A224-C227 WeakPolarHBondContact O-CB 3.47Å; A224-C227 PolarHBondContact O-N 2.87Å; C227-A231 VanDerWaalsContact O-CB 3.27Å; C227-A231 WeakPolarHBondContact O-CB 3.45Å; C227-A231 PolarHBondContact O-N 3.42Å
228	R	98.4	Very high	97.4	Very high	31 Å²	31	37 Å²	37	12%	0.117	18%	0.175	C	C	.	.	H	α-helix	trans	-64.8	-45.7	176.7	-174.5	-173.4	56.5	71.6	3	111.9	E45 F46 A224 R225 V226 M230 A231 E232	E45-R228 HydrophobicContact CG-CB 4.02Å; E45-R228 IonicContact OE1-CZ 3.88Å; E45-R228 IonicContact OE1-NE 3.55Å; E45-R228 PolarHBondContact OE1-NE 3.19Å; E45-R228 IonicContact OE1-NH2 2.88Å; E45-R228 PolarHBondContact OE1-NH2 3.24Å; F46-R228 HydrophobicContact CD1-CB 4.44Å; F46-R228 HydrophobicContact CD1-CG 4.12Å; F46-R228 HydrophobicContact CE1-CB 4.11Å; F46-R228 HydrophobicContact CE1-CG 3.99Å; F46-R228 HydrophobicContact CE2-CB 4.32Å; F46-R228 VanDerWaalsContact CZ-CA 3.5Å; F46-R228 HydrophobicContact CZ-CB 4.04Å; F46-R228 HydrophobicContact CZ-CG 4.44Å; A224-R228 PolarHBondContact O-N 3.21Å; R225-R228 PolarHBondContact O-N 2.98Å; V226-R228 VanDerWaalsContact C-N 3.31Å; V226-R228 PolarHBondContact O-N 3.36Å; R228-M230 PolarHBondContact O-N 3.25Å; R228-A231 WeakPolarHBondContact O-CB 3.42Å; R228-A231 PolarHBondContact O-N 2.64Å; R228-E232 WeakPolarHBondContact CD-OE1 3.33Å; R228-E232 HydrophobicContact CG-CG 4.35Å; R228-E232 WeakPolarHBondContact CG-OE1 3.5Å; R228-E232 IonicContact CZ-OE1 3.52Å; R228-E232 IonicContact NH1-OE1 2.66Å; R228-E232 PolarHBondContact NH1-OE1 3.25Å; R228-E232 IonicContact NH1-OE2 3.79Å; R228-E232 PolarHBondContact NH1-OE2 3.26Å; R228-E232 VanDerWaalsContact O-CG 3.31Å; R228-E232 WeakPolarHBondContact O-CG 3.43Å; R228-E232 PolarHBondContact O-N 3.33Å
229	Q	98.1	Very high	97.2	Very high	49 Å²	49	40.2 Å²	40.2	23%	0.229	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-41.8	178.4	-72.2	-178.1	12.6	0	0	112.2	R225 V226 E232 R233 L302	R225-Q229 WeakPolarHBondContact O-CG 3.44Å; R225-Q229 PolarHBondContact O-N 3.24Å; V226-Q229 PolarHBondContact O-N 2.65Å; Q229-E232 PolarHBondContact O-N 3.21Å; Q229-R233 WeakPolarHBondContact O-CB 3.33Å; Q229-R233 PolarHBondContact O-N 3.04Å; Q229-L302 HydrophobicContact CB-CD2 4.13Å; Q229-L302 PolarHBondContact OE1-O 2.85Å
230	M	98.4	Very high	97.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-45.6	173.8	-70.7	177.5	74.5	0	0	111.3	F126 I128 A174 L176 V226 R228 R233 R234 F244 L297 L302	F126-M230 HydrophobicContact CE1-CB 4.41Å; I128-M230 HydrophobicContact CD1-CB 4.13Å; A174-M230 HydrophobicContact CB-CE 3.54Å; L176-M230 HydrophobicContact CD1-SD 4.29Å; V226-M230 HydrophobicContact CG1-CG 4.2Å; V226-M230 HydrophobicContact CG1-SD 3.8Å; V226-M230 WeakPolarHBondContact O-CB 3.27Å; V226-M230 VanDerWaalsContact O-CG 3.29Å; V226-M230 WeakPolarHBondContact O-CG 3.11Å; V226-M230 PolarHBondContact O-N 3.16Å; R228-M230 PolarHBondContact O-N 3.25Å; M230-R233 PolarHBondContact O-N 3.2Å; M230-R234 VanDerWaalsContact O-CB 3.26Å; M230-R234 WeakPolarHBondContact O-CB 3.43Å; M230-R234 PolarHBondContact O-N 3.19Å; M230-F244 HydrophobicContact CE-CB 4.25Å; M230-F244 HydrophobicContact CE-CD1 4.34Å; M230-F244 HydrophobicContact CE-CD2 3.37Å; M230-F244 HydrophobicContact CE-CE2 3.67Å; M230-F244 HydrophobicContact CE-CG 3.73Å; M230-F244 HydrophobicContact CE-CZ 4.27Å; M230-L297 HydrophobicContact CG-CD2 4.36Å; M230-L297 HydrophobicContact SD-CD2 4.28Å; M230-L302 HydrophobicContact CG-CD1 4.25Å
231	A	98	Very high	97.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-48.8	176.8	0	0	0	0	0	112.3	F46 W51 V87 C227 R228 R234 L235	F46-A231 HydrophobicContact CE1-CB 3.79Å; F46-A231 HydrophobicContact CZ-CB 3.73Å; W51-A231 HydrophobicContact CH2-CB 3.93Å; W51-A231 HydrophobicContact CZ2-CB 4.11Å; V87-A231 HydrophobicContact CB-CB 4.47Å; V87-A231 HydrophobicContact CG1-CB 3.95Å; V87-A231 HydrophobicContact CG2-CB 3.93Å; C227-A231 VanDerWaalsContact O-CB 3.27Å; C227-A231 WeakPolarHBondContact O-CB 3.45Å; C227-A231 PolarHBondContact O-N 3.42Å; R228-A231 WeakPolarHBondContact O-CB 3.42Å; R228-A231 PolarHBondContact O-N 2.64Å; A231-R234 PolarHBondContact O-N 3.46Å; A231-L235 WeakPolarHBondContact O-CG 3.5Å; A231-L235 PolarHBondContact O-N 2.95Å
232	E	96.6	Very high	97.1	Very high	43 Å²	43	44 Å²	44	20%	0.201	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-42.8	178.8	-71	175.5	180	0	0	112.3	W51 R228 Q229 R234 L235	W51-E232 HydrophobicContact CZ2-CG 3.8Å; W51-E232 PolarHBondContact NE1-OE1 3.24Å; R228-E232 WeakPolarHBondContact CD-OE1 3.33Å; R228-E232 HydrophobicContact CG-CG 4.35Å; R228-E232 WeakPolarHBondContact CG-OE1 3.5Å; R228-E232 IonicContact CZ-OE1 3.52Å; R228-E232 IonicContact NH1-OE1 2.66Å; R228-E232 PolarHBondContact NH1-OE1 3.25Å; R228-E232 IonicContact NH1-OE2 3.79Å; R228-E232 PolarHBondContact NH1-OE2 3.26Å; R228-E232 VanDerWaalsContact O-CG 3.31Å; R228-E232 WeakPolarHBondContact O-CG 3.43Å; R228-E232 PolarHBondContact O-N 3.33Å; Q229-E232 PolarHBondContact O-N 3.21Å; E232-R234 VanDerWaalsContact C-N 3.35Å; E232-L235 PolarHBondContact O-N 2.88Å
233	R	96.8	Very high	97.1	Very high	75 Å²	75	45.5 Å²	45.5	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-41.1	176.2	-176.7	64.6	66.9	73.5	8.8	111.3	Q229 M230 L235 Q236 D237 I240 L300 G301 L302	Q229-R233 WeakPolarHBondContact O-CB 3.33Å; Q229-R233 PolarHBondContact O-N 3.04Å; M230-R233 PolarHBondContact O-N 3.2Å; R233-L235 PolarHBondContact O-N 3.18Å; R233-Q236 CarbonylContact O-C 3.12Å; R233-Q236 WeakPolarHBondContact O-CA 3.32Å; R233-Q236 PolarHBondContact O-N 3.24Å; R233-D237 HydrophobicContact CG-CB 4.4Å; R233-D237 PolarHBondContact O-N 3.43Å; R233-I240 HydrophobicContact CB-CG1 4.19Å; R233-I240 HydrophobicContact CG-CD1 3.77Å; R233-I240 HydrophobicContact CG-CG1 3.53Å; R233-L300 PolarHBondContact NH1-O 2.96Å; R233-L300 PolarHBondContact NH2-O 3.15Å; R233-G301 PolarHBondContact NH2-O 3.41Å; R233-L302 HydrophobicContact CB-CD2 3.81Å; R233-L302 HydrophobicContact CG-CD2 4.23Å
234	R	96.4	Very high	97.1	Very high	67 Å²	67	45.5 Å²	45.5	25%	0.253	22%	0.221	S	C	.	.	H	α-helix	trans	-61.8	-30.1	-179.3	-179.5	60.7	175.3	79.5	-0.8	113.7	F126 M230 A231 E232 Q236 D237 I240	F126-R234 HydrophobicContact CB-CG 3.85Å; F126-R234 HydrophobicContact CD1-CB 3.69Å; F126-R234 HydrophobicContact CD1-CG 3.66Å; F126-R234 HydrophobicContact CD2-CB 4.37Å; F126-R234 HydrophobicContact CD2-CG 3.6Å; F126-R234 HydrophobicContact CE1-CB 3.68Å; F126-R234 HydrophobicContact CE1-CG 3.98Å; F126-R234 HydrophobicContact CE2-CB 4.37Å; F126-R234 HydrophobicContact CE2-CG 3.93Å; F126-R234 HydrophobicContact CG-CB 4.04Å; F126-R234 HydrophobicContact CG-CG 3.45Å; F126-R234 VanDerWaalsContact CG-CG 3.45Å; F126-R234 HydrophobicContact CZ-CB 4.03Å; F126-R234 HydrophobicContact CZ-CG 4.1Å; M230-R234 VanDerWaalsContact O-CB 3.26Å; M230-R234 WeakPolarHBondContact O-CB 3.43Å; M230-R234 PolarHBondContact O-N 3.19Å; A231-R234 PolarHBondContact O-N 3.46Å; E232-R234 VanDerWaalsContact C-N 3.35Å; R234-Q236 PolarHBondContact O-N 2.91Å; R234-D237 WeakPolarHBondContact CA-O 3.43Å; R234-D237 WeakPolarHBondContact CD-O 3.45Å; R234-I240 HydrophobicContact CB-CB 4.23Å; R234-I240 HydrophobicContact CB-CG2 4.48Å; R234-I240 VanDerWaalsContact CD-O 3.28Å; R234-I240 WeakPolarHBondContact CD-O 3.42Å
235	L	92.8	Very high	97.1	Very high	76 Å²	76	45.5 Å²	45.5	40%	0.398	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.6	174.5	-66.5	177.4	0	0	0	112.8	R27 W51 H86 A231 E232 R233	R27-L235 HydrophobicContact CG-CD1 3.85Å; W51-L235 HydrophobicContact CH2-CD1 3.76Å; W51-L235 HydrophobicContact CZ2-CD1 4.11Å; H86-L235 HydrophobicContact CB-CD2 4.26Å; A231-L235 WeakPolarHBondContact O-CG 3.5Å; A231-L235 PolarHBondContact O-N 2.95Å; E232-L235 PolarHBondContact O-N 2.88Å; R233-L235 PolarHBondContact O-N 3.18Å
236	Q	94.1	Very high	97.1	Very high	145 Å²	145	42.5 Å²	42.5	68%	0.678	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-31.1	179.2	-59.8	175.9	0.5	0	0	112.1	R233 R234	R233-Q236 CarbonylContact O-C 3.12Å; R233-Q236 WeakPolarHBondContact O-CA 3.32Å; R233-Q236 PolarHBondContact O-N 3.24Å; R234-Q236 PolarHBondContact O-N 2.91Å
237	D	95.3	Very high	97.1	Very high	52 Å²	52	42.9 Å²	42.9	28%	0.278	21%	0.213	S	C	.	.			trans	-133.2	107.9	-173.7	-179.4	1.7	0	0	0	110.9	R233 R234 S239 I240	R233-D237 HydrophobicContact CG-CB 4.4Å; R233-D237 PolarHBondContact O-N 3.43Å; R234-D237 WeakPolarHBondContact CA-O 3.43Å; R234-D237 WeakPolarHBondContact CD-O 3.45Å; D237-S239 PolarHBondContact O-N 3.4Å; D237-S239 WeakPolarHBondContact OD1-CB 3.43Å; D237-S239 PolarHBondContact OD1-N 2.92Å; D237-S239 PolarHBondContact OD1-OG 3.03Å; D237-S239 PolarHBondContact OD2-OG 3.37Å; D237-I240 HydrophobicContact CB-CG1 4.43Å; D237-I240 PolarHBondContact O-N 3.16Å
238	P	93.4	Very high	97	Very high	88 Å²	88	43.3 Å²	43.3	57%	0.571	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-6.1	178.8	30.5	-34.8	0	0	0	114.5	I240	P238-I240 PolarHBondContact O-N 3.39Å
239	S	95.6	Very high	96.9	Very high	67 Å²	67	47.4 Å²	47.4	47%	0.469	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-15.2	176.5	84.1	0	0	0	0	113.6	D237 R241	D237-S239 PolarHBondContact O-N 3.4Å; D237-S239 WeakPolarHBondContact OD1-CB 3.43Å; D237-S239 PolarHBondContact OD1-N 2.92Å; D237-S239 PolarHBondContact OD1-OG 3.03Å; D237-S239 PolarHBondContact OD2-OG 3.37Å; S239-R241 PolarHBondContact O-N 2.97Å
240	I	97.6	Very high	97	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.241	C	C	.	.			trans	-70.9	91.1	176.3	-53.5	-54.5	0	0	0	110.1	F126 R233 R234 D237 P238 F244 L300 L302	F126-I240 WeakPolarHBondContact CE2-O 3.44Å; F126-I240 HydrophobicContact CZ-CG2 4.16Å; R233-I240 HydrophobicContact CB-CG1 4.19Å; R233-I240 HydrophobicContact CG-CD1 3.77Å; R233-I240 HydrophobicContact CG-CG1 3.53Å; R234-I240 HydrophobicContact CB-CB 4.23Å; R234-I240 HydrophobicContact CB-CG2 4.48Å; R234-I240 VanDerWaalsContact CD-O 3.28Å; R234-I240 WeakPolarHBondContact CD-O 3.42Å; D237-I240 HydrophobicContact CB-CG1 4.43Å; D237-I240 PolarHBondContact O-N 3.16Å; P238-I240 PolarHBondContact O-N 3.39Å; I240-F244 HydrophobicContact CG2-CZ 4.16Å; I240-L300 HydrophobicContact CD1-CD1 4.35Å; I240-L302 HydrophobicContact CD1-CD1 4.16Å
241	R	97.7	Very high	96.9	Very high	136 Å²	136	52.9 Å²	52.9	51%	0.513	26%	0.261	S	S	.	.			trans	-157.8	168.1	178.9	63.7	-179	-179.8	165.9	-1.2	111.6	A173 S239 R296	A173-R241 WeakPolarHBondContact O-CA 3.26Å; S239-R241 PolarHBondContact O-N 2.97Å; R241-R296 PolarHBondContact O-NH2 3.32Å
242	G	98.1	Very high	97	Very high	20 Å²	20	53.6 Å²	53.6	21%	0.206	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.9	-159.4	-179.4	0	0	0	0	0	112.8	A173 A174 V175 F244	A173-G242 PolarHBondContact O-N 3.2Å; A174-G242 CarbonylContact C-O 3.44Å; A174-G242 VanDerWaalsContact CA-O 3.27Å; A174-G242 WeakPolarHBondContact CA-O 3.44Å; V175-G242 PolarHBondContact N-O 3.35Å; G242-F244 VanDerWaalsContact O-CD2 3.29Å; G242-F244 WeakPolarHBondContact O-CD2 3.05Å; G242-F244 WeakPolarHBondContact O-CE2 3.39Å
243	I	98.7	Very high	97	Very high	34 Å²	34	51.6 Å²	51.6	17%	0.174	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.8	-171.8	-60.6	160.1	0	0	0	110.7	E145 L167 V175 R296	E145-I243 HydrophobicContact CB-CB 4.23Å; E145-I243 HydrophobicContact CB-CG2 3.95Å; E145-I243 HydrophobicContact CG-CG2 4.09Å; E145-I243 WeakPolarHBondContact CG-O 3.42Å; L167-I243 HydrophobicContact CD1-CD1 4.45Å; L167-I243 HydrophobicContact CD1-CG1 4.28Å; V175-I243 HydrophobicContact CB-CG1 4.07Å; V175-I243 HydrophobicContact CG1-CG1 4.4Å; V175-I243 CarbonylContact O-C 3.56Å; V175-I243 WeakPolarHBondContact O-CA 3.49Å; I243-R296 PolarHBondContact O-NH1 3.3Å
244	F	98.8	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.9	175.4	-62.1	-92.2	0	0	0	109	A174 V175 L176 R177 M230 I240 G242 R296 L297 L300	A174-F244 HydrophobicContact CB-CD2 4.02Å; A174-F244 HydrophobicContact CB-CE2 3.91Å; V175-F244 PolarHBondContact O-N 2.7Å; L176-F244 CarbonylContact C-O 3.57Å; L176-F244 WeakPolarHBondContact CA-O 3.48Å; L176-F244 HydrophobicContact CD1-CB 3.94Å; R177-F244 PolarHBondContact N-O 2.97Å; M230-F244 HydrophobicContact CE-CB 4.25Å; M230-F244 HydrophobicContact CE-CD1 4.34Å; M230-F244 HydrophobicContact CE-CD2 3.37Å; M230-F244 HydrophobicContact CE-CE2 3.67Å; M230-F244 HydrophobicContact CE-CG 3.73Å; M230-F244 HydrophobicContact CE-CZ 4.27Å; I240-F244 HydrophobicContact CG2-CZ 4.16Å; G242-F244 VanDerWaalsContact O-CD2 3.29Å; G242-F244 WeakPolarHBondContact O-CD2 3.05Å; G242-F244 WeakPolarHBondContact O-CE2 3.39Å; F244-R296 HydrophobicContact CD1-CG 4.2Å; F244-R296 HydrophobicContact CE1-CG 4.26Å; F244-L297 HydrophobicContact CB-CD2 4.27Å; F244-L297 HydrophobicContact CB-CG 4.46Å; F244-L297 HydrophobicContact CD1-CD2 3.66Å; F244-L297 HydrophobicContact CD1-CG 4.26Å; F244-L297 HydrophobicContact CE1-CD2 4.38Å; F244-L297 HydrophobicContact CG-CD2 4.24Å; F244-L300 HydrophobicContact CE1-CD1 3.64Å; F244-L300 HydrophobicContact CZ-CD1 4.43Å
245	H	98.8	Very high	97.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.1	172	-70.4	-178	0	0	0	110.7	F136 Y143 G144 R177 L292 E293 L297	F136-H245 AromaticContact CE2-CE1 3.79Å; F136-H245 AromaticContact CZ-CE1 3.88Å; Y143-H245 PolarHBondContact O-CE1 3.45Å; Y143-H245 VanDerWaalsContact O-CE1 3.25Å; Y143-H245 PolarHBondContact O-ND1 3Å; G144-H245 VanDerWaalsContact C-CE1 3.44Å; G144-H245 PolarHBondContact O-CE1 3.13Å; R177-H245 WeakPolarHBondContact CD-NE2 3.16Å; R177-H245 PolarHBondContact NH1-NE2 2.87Å; R177-H245 WeakPolarHBondContact O-CA 3.3Å; H245-L292 HydrophobicContact CB-CB 3.96Å; H245-L292 HydrophobicContact CB-CD1 4.2Å; H245-E293 WeakPolarHBondContact CB-O 3.24Å; H245-E293 PolarHBondContact ND1-O 3.27Å; H245-L297 WeakPolarHBondContact O-CD1 3.31Å
246	Y	98.6	Very high	97.4	Very high	8 Å²	8	49.2 Å²	49.2	3%	0.031	25%	0.246	C	C	.	.			trans	-138.4	135.5	165.7	-175.7	-102.9	0	0	0	110.9	R177 P179 T218 D222 V223 V226 L297 V304	R177-Y246 PolarHBondContact O-N 3.24Å; P179-Y246 WeakPolarHBondContact CD-O 3.17Å; T218-Y246 HydrophobicContact CG2-CD1 3.89Å; T218-Y246 HydrophobicContact CG2-CE1 3.82Å; D222-Y246 HydrophobicContact CB-CE1 3.79Å; D222-Y246 VanDerWaalsContact CB-OH 3.28Å; D222-Y246 WeakPolarHBondContact CB-OH 3.36Å; V223-Y246 HydrophobicContact CG2-CD1 3.91Å; V223-Y246 HydrophobicContact CG2-CE1 4.22Å; V226-Y246 HydrophobicContact CG2-CD1 4.16Å; V226-Y246 HydrophobicContact CG2-CD2 3.55Å; V226-Y246 HydrophobicContact CG2-CE1 4.26Å; V226-Y246 HydrophobicContact CG2-CE2 3.66Å; V226-Y246 HydrophobicContact CG2-CG 3.8Å; Y246-L297 HydrophobicContact CD2-CD1 3.97Å; Y246-L297 HydrophobicContact CG-CD1 4.4Å; Y246-V304 HydrophobicContact CE2-CB 4.12Å; Y246-V304 PolarHBondContact OH-O 2.96Å; Y246-V304 VanDerWaalsContact OH-O 3.05Å
247	S	98.4	Very high	97.6	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.063	21%	0.213	C	C	.	.			trans	-149.8	148.1	-177.7	179.6	0	0	0	0	110.4	F216 C294	F216-S247 WeakPolarHBondContact CB-OG 3.33Å; S247-C294 PolarHBondContact N-SG 3.07Å
248	G	97.4	Very high	97.7	Very high	9 Å²	9	39.8 Å²	39.8	9%	0.093	20%	0.2	C	C	.	.			trans	-58.4	156.9	160	0	0	0	0	0	111.1	F216 T218	F216-G248 WeakPolarHBondContact CD1-O 3.49Å; T218-G248 PolarHBondContact OG1-N 3.31Å
249	K	96.4	Very high	97.9	Very high	117 Å²	117	37 Å²	37	51%	0.509	18%	0.182	S	C	.	.	S	Bend	trans	-88.8	-22.8	-177.1	-71	174.5	-175.4	176.5	0	113.6	E305 P306	K249-E305 IonicContact NZ-OE1 3.64Å; K249-E305 PolarHBondContact NZ-OE1 3.24Å; K249-E305 IonicContact NZ-OE2 3.98Å; K249-E305 PolarHBondContact NZ-OE2 3.39Å; K249-P306 HydrophobicContact CD-CG 4.3Å; K249-P306 HydrophobicContact CG-CG 4.11Å
250	E	98.3	Very high	98.1	Very high	72 Å²	72	35.4 Å²	35.4	34%	0.336	17%	0.17	S	C	.	.			trans	-82.6	118.7	-174.8	-65.9	166.2	92.1	0	0	110.6	P217 M252 F309	P217-E250 WeakPolarHBondContact CD-O 3.38Å; E250-M252 HydrophobicContact CB-CE 3.96Å; E250-F309 VanDerWaalsContact OE2-CB 3.32Å; E250-F309 WeakPolarHBondContact OE2-CB 3.38Å; E250-F309 PolarHBondContact OE2-N 3.44Å
251	Q	98.3	Very high	98.1	Very high	91 Å²	91	35.3 Å²	35.3	43%	0.425	17%	0.169	S	C	.	.			trans	-84.5	126.3	175	-172.9	179.6	-60.2	0	0	109.6	Q214 R215 F216	Q214-Q251 HydrophobicContact CB-CG 4.25Å; R215-Q251 WeakPolarHBondContact O-CA 3.32Å; F216-Q251 HydrophobicContact CD1-CB 4.36Å; F216-Q251 HydrophobicContact CE1-CB 3.64Å; F216-Q251 HydrophobicContact CE1-CG 4.12Å; F216-Q251 HydrophobicContact CE2-CB 4.5Å; F216-Q251 HydrophobicContact CE2-CG 4.1Å; F216-Q251 HydrophobicContact CZ-CB 3.7Å; F216-Q251 HydrophobicContact CZ-CG 3.65Å
252	M	98.2	Very high	98	Very high	16 Å²	16	28.9 Å²	28.9	8%	0.079	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-149.3	146.2	179.1	-59	-174.9	-174.7	0	0	111.9	R215 P217 E250 E256 M257 V260 F309	R215-M252 CarbonylContact C-O 3.44Å; R215-M252 WeakPolarHBondContact CA-O 3.49Å; R215-M252 VanDerWaalsContact CB-O 3.28Å; R215-M252 WeakPolarHBondContact CB-O 3.49Å; R215-M252 PolarHBondContact N-O 2.92Å; R215-M252 PolarHBondContact O-N 3.06Å; R215-M252 VanDerWaalsContact O-O 3.08Å; P217-M252 HydrophobicContact CG-SD 4.35Å; E250-M252 HydrophobicContact CB-CE 3.96Å; M252-E256 HydrophobicContact CB-CB 4.1Å; M252-E256 HydrophobicContact CG-CB 4.44Å; M252-M257 HydrophobicContact CB-CG 3.67Å; M252-M257 HydrophobicContact CG-CG 4.36Å; M252-M257 HydrophobicContact SD-CG 3.79Å; M252-V260 HydrophobicContact CE-CG2 4.02Å; M252-V260 HydrophobicContact SD-CG2 4.26Å; M252-F309 HydrophobicContact CE-CB 4.02Å; M252-F309 HydrophobicContact CE-CD1 3.74Å; M252-F309 HydrophobicContact CE-CG 4.07Å; M252-F309 HydrophobicContact SD-CD1 3.71Å; M252-F309 HydrophobicContact SD-CE1 4Å; M252-F309 HydrophobicContact SD-CG 4.2Å
253	T	98	Very high	97.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.			trans	-81.9	173.2	160.3	59.5	0	0	0	0	110.9	H211 Q213 Y255 E256 M257	H211-T253 PolarHBondContact ND1-OG1 3.08Å; Q213-T253 WeakPolarHBondContact O-CA 3.48Å; T253-Y255 VanDerWaalsContact C-N 3.32Å; T253-Y255 PolarHBondContact O-N 3.08Å; T253-E256 WeakPolarHBondContact CB-OE2 3.22Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.36Å; T253-E256 PolarHBondContact N-OE2 2.66Å; T253-E256 PolarHBondContact O-N 3.33Å; T253-E256 WeakPolarHBondContact OG1-CG 3.24Å; T253-E256 PolarHBondContact OG1-N 2.92Å; T253-E256 PolarHBondContact OG1-OE2 2.87Å; T253-M257 WeakPolarHBondContact O-CE 3.24Å; T253-M257 WeakPolarHBondContact O-CG 3.43Å; T253-M257 PolarHBondContact O-N 2.86Å
254	K	97.1	Very high	97.9	Very high	42 Å²	42	30.8 Å²	30.8	18%	0.183	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-38.4	173.3	-78.9	-171.6	168.7	-166	0	113.1	L196 V209 E210 M257 A258	L196-K254 HydrophobicContact CD1-CB 4.38Å; L196-K254 HydrophobicContact CD1-CG 4.49Å; L196-K254 WeakPolarHBondContact CD1-O 3.32Å; L196-K254 HydrophobicContact CD2-CB 4.18Å; L196-K254 HydrophobicContact CD2-CD 4.31Å; L196-K254 HydrophobicContact CD2-CG 4.41Å; V209-K254 HydrophobicContact CG1-CB 3.87Å; E210-K254 HydrophobicContact CB-CB 4.44Å; E210-K254 WeakPolarHBondContact O-CB 3.24Å; E210-K254 PolarHBondContact O-N 3.23Å; K254-M257 HydrophobicContact CG-CE 4.13Å; K254-M257 PolarHBondContact O-N 3.32Å; K254-A258 WeakPolarHBondContact O-CB 3.28Å; K254-A258 PolarHBondContact O-N 2.84Å
255	Y	97.8	Very high	97.7	Very high	55 Å²	55	32 Å²	32	22%	0.216	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-49.1	175.3	172	-102.6	0	0	0	111.6	V209 E210 H211 T253 M257 A258 C259 L272 P274	V209-Y255 HydrophobicContact CB-CD2 4.3Å; E210-Y255 PolarHBondContact O-N 2.9Å; H211-Y255 HydrophobicContact CB-CG 4.39Å; H211-Y255 AromaticContact CG-CD1 4Å; H211-Y255 AromaticContact ND1-CD1 3.76Å; T253-Y255 VanDerWaalsContact C-N 3.32Å; T253-Y255 PolarHBondContact O-N 3.08Å; Y255-M257 PolarHBondContact O-N 3.23Å; Y255-A258 WeakPolarHBondContact O-CB 3.47Å; Y255-A258 PolarHBondContact O-N 3.3Å; Y255-A258 VanDerWaalsContact O-N 3.15Å; Y255-C259 PolarHBondContact O-N 3.47Å; Y255-C259 PolarHBondContact O-SG 3.05Å; Y255-L272 HydrophobicContact CD2-CB 4.35Å; Y255-L272 HydrophobicContact CE2-CB 4Å; Y255-P274 HydrophobicContact CD1-CB 3.93Å; Y255-P274 HydrophobicContact CD2-CB 3.85Å; Y255-P274 HydrophobicContact CE1-CB 4.05Å; Y255-P274 HydrophobicContact CE1-CG 4.39Å; Y255-P274 HydrophobicContact CE2-CB 3.97Å; Y255-P274 HydrophobicContact CE2-CG 4.19Å; Y255-P274 HydrophobicContact CG-CB 3.83Å
256	E	98.6	Very high	97.5	Very high	71 Å²	71	39.1 Å²	39.1	33%	0.332	20%	0.196	S	C	.	.	H	α-helix	trans	-63.5	-42	178.7	-70.7	160	145.5	0	0	111.8	H211 M252 T253 A258 C259 V260	H211-E256 IonicContact CE1-OE1 2.64Å; H211-E256 IonicContact CE1-OE2 2.83Å; M252-E256 HydrophobicContact CB-CB 4.1Å; M252-E256 HydrophobicContact CG-CB 4.44Å; T253-E256 WeakPolarHBondContact CB-OE2 3.22Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.36Å; T253-E256 PolarHBondContact N-OE2 2.66Å; T253-E256 PolarHBondContact O-N 3.33Å; T253-E256 WeakPolarHBondContact OG1-CG 3.24Å; T253-E256 PolarHBondContact OG1-N 2.92Å; T253-E256 PolarHBondContact OG1-OE2 2.87Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 3.44Å; E256-C259 PolarHBondContact O-N 2.92Å; E256-V260 WeakPolarHBondContact O-CG2 3.5Å; E256-V260 PolarHBondContact O-N 3.4Å
257	M	98.6	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.4	-44.6	172.8	-75.9	-176	-90.9	0	0	111.7	V193 L196 R215 P217 M252 T253 K254 Y255 C259 V260 I261 F309	V193-M257 HydrophobicContact CB-SD 4.45Å; V193-M257 HydrophobicContact CG1-SD 4.04Å; V193-M257 HydrophobicContact CG2-SD 3.82Å; L196-M257 HydrophobicContact CD1-CB 3.7Å; R215-M257 HydrophobicContact CB-CE 4.16Å; P217-M257 HydrophobicContact CB-SD 3.87Å; P217-M257 HydrophobicContact CG-CG 4.3Å; P217-M257 HydrophobicContact CG-SD 3.99Å; M252-M257 HydrophobicContact CB-CG 3.67Å; M252-M257 HydrophobicContact CG-CG 4.36Å; M252-M257 HydrophobicContact SD-CG 3.79Å; T253-M257 WeakPolarHBondContact O-CE 3.24Å; T253-M257 WeakPolarHBondContact O-CG 3.43Å; T253-M257 PolarHBondContact O-N 2.86Å; K254-M257 HydrophobicContact CG-CE 4.13Å; K254-M257 PolarHBondContact O-N 3.32Å; Y255-M257 PolarHBondContact O-N 3.23Å; M257-C259 PolarHBondContact O-N 3.19Å; M257-V260 PolarHBondContact O-N 3.34Å; M257-I261 WeakPolarHBondContact O-CB 3.35Å; M257-I261 WeakPolarHBondContact O-CD1 3.17Å; M257-I261 WeakPolarHBondContact O-CG1 3.04Å; M257-I261 PolarHBondContact O-N 2.72Å; M257-F309 HydrophobicContact CB-CE1 4.28Å; M257-F309 HydrophobicContact CB-CZ 4.06Å; M257-F309 HydrophobicContact CG-CE1 4.26Å; M257-F309 HydrophobicContact CG-CE2 4.49Å; M257-F309 HydrophobicContact CG-CZ 3.93Å; M257-F309 HydrophobicContact SD-CZ 4.44Å
258	A	97.6	Very high	96.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-39.8	178.7	0	0	0	0	0	112.1	L196 V200 K254 Y255 E256 I261 A262 L272	L196-A258 HydrophobicContact CB-CB 4.33Å; L196-A258 HydrophobicContact CD1-CB 4.38Å; V200-A258 HydrophobicContact CG2-CB 4.05Å; V200-A258 WeakPolarHBondContact CG2-O 3.32Å; K254-A258 WeakPolarHBondContact O-CB 3.28Å; K254-A258 PolarHBondContact O-N 2.84Å; Y255-A258 WeakPolarHBondContact O-CB 3.47Å; Y255-A258 PolarHBondContact O-N 3.3Å; Y255-A258 VanDerWaalsContact O-N 3.15Å; E256-A258 VanDerWaalsContact C-N 3.32Å; E256-A258 PolarHBondContact O-N 3.44Å; A258-I261 PolarHBondContact O-N 2.74Å; A258-A262 PolarHBondContact O-N 3.49Å; A258-L272 HydrophobicContact CB-CD1 3.71Å
259	C	97.9	Very high	96.7	Very high	28 Å²	28	46.5 Å²	46.5	19%	0.189	24%	0.242	C	C	.	.	H	α-helix	trans	-62.5	-43.4	173.6	-70.5	0	0	0	0	112.4	Y255 E256 M257 I261 A262 D263	Y255-C259 PolarHBondContact O-N 3.47Å; Y255-C259 PolarHBondContact O-SG 3.05Å; E256-C259 PolarHBondContact O-N 2.92Å; M257-C259 PolarHBondContact O-N 3.19Å; C259-I261 VanDerWaalsContact C-N 3.34Å; C259-A262 PolarHBondContact O-N 3.27Å; C259-D263 WeakPolarHBondContact O-CB 3.14Å; C259-D263 PolarHBondContact O-N 2.89Å
260	V	98.4	Very high	96.6	Very high	34 Å²	34	45.7 Å²	45.7	21%	0.206	25%	0.251	C	S	.	.	H	α-helix	trans	-68.2	-35	176.8	178.3	0	0	0	0	111.6	M252 E256 M257 D263 A264 F309 K310	M252-V260 HydrophobicContact CE-CG2 4.02Å; M252-V260 HydrophobicContact SD-CG2 4.26Å; E256-V260 WeakPolarHBondContact O-CG2 3.5Å; E256-V260 PolarHBondContact O-N 3.4Å; M257-V260 PolarHBondContact O-N 3.34Å; V260-D263 PolarHBondContact O-N 3.23Å; V260-A264 WeakPolarHBondContact O-CB 3.44Å; V260-A264 PolarHBondContact O-N 3.34Å; V260-F309 HydrophobicContact CB-CD1 4.01Å; V260-F309 HydrophobicContact CB-CE1 3.97Å; V260-F309 HydrophobicContact CG1-CD1 3.59Å; V260-F309 HydrophobicContact CG1-CE1 3.95Å; V260-K310 HydrophobicContact CG1-CB 3.85Å; V260-K310 HydrophobicContact CG1-CG 4.15Å
261	I	97.7	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-47	171.4	-69.7	163.8	0	0	0	110.1	L196 W197 V200 M257 A258 C259 D263 A264 F265 F309 V313 L317	L196-I261 HydrophobicContact CB-CD1 4.02Å; L196-I261 HydrophobicContact CD1-CD1 4.36Å; W197-I261 HydrophobicContact CE3-CG2 3.55Å; W197-I261 HydrophobicContact CZ3-CG2 3.79Å; V200-I261 HydrophobicContact CB-CG2 4.35Å; V200-I261 HydrophobicContact CG1-CG2 4.21Å; V200-I261 HydrophobicContact CG2-CB 4.28Å; V200-I261 HydrophobicContact CG2-CG2 4.03Å; M257-I261 WeakPolarHBondContact O-CB 3.35Å; M257-I261 WeakPolarHBondContact O-CD1 3.17Å; M257-I261 WeakPolarHBondContact O-CG1 3.04Å; M257-I261 PolarHBondContact O-N 2.72Å; A258-I261 PolarHBondContact O-N 2.74Å; C259-I261 VanDerWaalsContact C-N 3.34Å; I261-D263 VanDerWaalsContact C-N 3.35Å; I261-D263 PolarHBondContact O-N 3.21Å; I261-A264 WeakPolarHBondContact O-CB 3.28Å; I261-A264 PolarHBondContact O-N 3.23Å; I261-F265 HydrophobicContact CG2-CD2 4.43Å; I261-F265 WeakPolarHBondContact O-CD2 3.38Å; I261-F265 PolarHBondContact O-N 3.21Å; I261-F309 HydrophobicContact CD1-CZ 4.45Å; I261-F309 HydrophobicContact CG1-CE1 4.3Å; I261-F309 HydrophobicContact CG1-CZ 4.28Å; I261-V313 HydrophobicContact CD1-CG2 4.07Å; I261-V313 HydrophobicContact CG1-CB 4.5Å; I261-V313 HydrophobicContact CG1-CG1 4.03Å; I261-V313 HydrophobicContact CG1-CG2 3.67Å; I261-L317 HydrophobicContact CD1-CD1 4.31Å; I261-L317 HydrophobicContact CG1-CD1 4.36Å; I261-L317 HydrophobicContact CG2-CD1 3.87Å
262	A	96.2	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-47.4	177.2	0	0	0	0	0	111.7	V200 A258 C259 A264 F265 N266 L267	V200-A262 HydrophobicContact CG1-CB 3.8Å; A258-A262 PolarHBondContact O-N 3.49Å; C259-A262 PolarHBondContact O-N 3.27Å; A262-A264 PolarHBondContact O-N 3.47Å; A262-F265 CarbonylContact O-C 3.52Å; A262-F265 PolarHBondContact O-N 3.25Å; A262-F265 VanDerWaalsContact O-N 3.16Å; A262-N266 PolarHBondContact O-N 2.85Å; A262-L267 HydrophobicContact CB-CB 4.39Å; A262-L267 PolarHBondContact O-N 2.78Å
263	D	97.3	Very high	96.1	Very high	80 Å²	80	41.5 Å²	41.5	43%	0.428	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-37.7	176.2	174.3	34	0	0	0	112.7	C259 V260 I261 F265 N266 K310	C259-D263 WeakPolarHBondContact O-CB 3.14Å; C259-D263 PolarHBondContact O-N 2.89Å; V260-D263 PolarHBondContact O-N 3.23Å; I261-D263 VanDerWaalsContact C-N 3.35Å; I261-D263 PolarHBondContact O-N 3.21Å; D263-F265 PolarHBondContact O-N 2.83Å; D263-N266 PolarHBondContact O-N 2.74Å; D263-K310 IonicContact OD1-NZ 2.67Å; D263-K310 PolarHBondContact OD1-NZ 2.8Å; D263-K310 VanDerWaalsContact OD2-CE 3.24Å; D263-K310 WeakPolarHBondContact OD2-CE 3.32Å; D263-K310 IonicContact OD2-NZ 2.73Å; D263-K310 PolarHBondContact OD2-NZ 3.49Å
264	A	97.2	Very high	96	Very high	14 Å²	14	44 Å²	44	12%	0.116	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-25.3	176.3	0	0	0	0	0	113.8	V260 I261 A262 K310 V313 R314	V260-A264 WeakPolarHBondContact O-CB 3.44Å; V260-A264 PolarHBondContact O-N 3.34Å; I261-A264 WeakPolarHBondContact O-CB 3.28Å; I261-A264 PolarHBondContact O-N 3.23Å; A262-A264 PolarHBondContact O-N 3.47Å; A264-K310 HydrophobicContact CB-CG 3.8Å; A264-V313 HydrophobicContact CB-CG1 4.3Å; A264-R314 HydrophobicContact CB-CB 4.23Å
265	F	95.3	Very high	95.8	Very high	27 Å²	27	44.8 Å²	44.8	12%	0.118	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	7.3	-178	-73.8	-86	0	0	0	113.8	W197 I261 A262 D263 L267 R314 L317 W318 L321	W197-F265 HydrophobicContact CE3-CD2 4.47Å; W197-F265 HydrophobicContact CE3-CE2 4.44Å; W197-F265 HydrophobicContact CH2-CB 4.24Å; W197-F265 AromaticContact CH2-CD1 3.64Å; W197-F265 HydrophobicContact CH2-CD1 3.64Å; W197-F265 AromaticContact CH2-CD2 3.59Å; W197-F265 HydrophobicContact CH2-CD2 3.59Å; W197-F265 AromaticContact CH2-CE1 3.79Å; W197-F265 HydrophobicContact CH2-CE1 3.79Å; W197-F265 AromaticContact CH2-CE2 3.73Å; W197-F265 HydrophobicContact CH2-CE2 3.73Å; W197-F265 AromaticContact CH2-CG 3.54Å; W197-F265 HydrophobicContact CH2-CG 3.54Å; W197-F265 AromaticContact CH2-CZ 3.82Å; W197-F265 HydrophobicContact CH2-CZ 3.82Å; W197-F265 HydrophobicContact CZ3-CB 4.34Å; W197-F265 HydrophobicContact CZ3-CD1 4.27Å; W197-F265 AromaticContact CZ3-CD2 3.34Å; W197-F265 HydrophobicContact CZ3-CD2 3.34Å; W197-F265 HydrophobicContact CZ3-CE1 4.45Å; W197-F265 AromaticContact CZ3-CE2 3.56Å; W197-F265 HydrophobicContact CZ3-CE2 3.56Å; W197-F265 AromaticContact CZ3-CG 3.72Å; W197-F265 HydrophobicContact CZ3-CG 3.72Å; W197-F265 HydrophobicContact CZ3-CZ 4.12Å; I261-F265 HydrophobicContact CG2-CD2 4.43Å; I261-F265 WeakPolarHBondContact O-CD2 3.38Å; I261-F265 PolarHBondContact O-N 3.21Å; A262-F265 CarbonylContact O-C 3.52Å; A262-F265 PolarHBondContact O-N 3.25Å; A262-F265 VanDerWaalsContact O-N 3.16Å; D263-F265 PolarHBondContact O-N 2.83Å; F265-L267 VanDerWaalsContact C-N 3.25Å; F265-L267 HydrophobicContact CB-CD1 3.96Å; F265-L267 HydrophobicContact CB-CG 3.95Å; F265-L267 PolarHBondContact O-N 3.14Å; F265-R314 HydrophobicContact CE1-CG 4.23Å; F265-R314 HydrophobicContact CE2-CB 4.38Å; F265-R314 HydrophobicContact CE2-CG 4.31Å; F265-R314 HydrophobicContact CZ-CB 4.37Å; F265-R314 HydrophobicContact CZ-CG 3.98Å; F265-R314 WeakPolarHBondContact CZ-O 3.44Å; F265-L317 HydrophobicContact CE2-CB 3.82Å; F265-L317 HydrophobicContact CZ-CB 3.68Å; F265-W318 HydrophobicContact CE1-CB 4.29Å; F265-L321 HydrophobicContact CD1-CD1 4.21Å; F265-L321 HydrophobicContact CD1-CD2 4.24Å
266	N	94	Very high	95.4	Very high	148 Å²	148	46.8 Å²	46.8	79%	0.791	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	40.3	-174.4	-55.3	-48.2	0	0	0	113	A262 D263	A262-N266 PolarHBondContact O-N 2.85Å; D263-N266 PolarHBondContact O-N 2.74Å
267	L	92.4	Very high	94.7	Very high	64 Å²	64	50.9 Å²	50.9	34%	0.335	29%	0.292	S	S	.	.			trans	-101.3	156.3	175.5	-61.8	175.7	0	0	0	110.5	W197 V200 Q201 A262 F265	W197-L267 HydrophobicContact CH2-CD1 4.38Å; W197-L267 HydrophobicContact CZ3-CD1 4.38Å; V200-L267 HydrophobicContact CG1-CB 4.46Å; V200-L267 HydrophobicContact CG1-CD1 3.95Å; Q201-L267 HydrophobicContact CG-CD1 4.45Å; A262-L267 HydrophobicContact CB-CB 4.39Å; A262-L267 PolarHBondContact O-N 2.78Å; F265-L267 VanDerWaalsContact C-N 3.25Å; F265-L267 HydrophobicContact CB-CD1 3.96Å; F265-L267 HydrophobicContact CB-CG 3.95Å; F265-L267 PolarHBondContact O-N 3.14Å
268	S	92	Very high	93.3	Very high	73 Å²	73	55.1 Å²	55.1	51%	0.51	31%	0.311	S	S	.	.			trans	-70.7	140.7	172.3	-170.8	0	0	0	0	110.5	S270 H271	S268-S270 WeakPolarHBondContact OG-CB 3.31Å; S268-S270 PolarHBondContact OG-N 3.01Å; S268-S270 VanDerWaalsContact OG-N 3.14Å; S268-S270 PolarHBondContact OG-OG 3.17Å; S268-H271 PolarHBondContact O-CE1 3.05Å; S268-H271 PolarHBondContact O-ND1 2.84Å
269	S	94.3	Very high	91.8	Very high	44 Å²	44	58.7 Å²	58.7	31%	0.308	33%	0.334	S	S	.	.			trans	-106.3	6	167.8	54.4	0	0	0	0	112.5	H271 L272	S269-H271 PolarHBondContact O-N 3.06Å; S269-H271 VanDerWaalsContact O-N 3.15Å; S269-L272 WeakPolarHBondContact O-CB 3.03Å; S269-L272 PolarHBondContact O-N 3.45Å
270	S	93.5	Very high	89.9	Confident	100 Å²	100	62.6 Å²	62.6	70%	0.699	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.9	-172.9	64.1	0	0	0	0	114.1	S268	S268-S270 WeakPolarHBondContact OG-CB 3.31Å; S268-S270 PolarHBondContact OG-N 3.01Å; S268-S270 VanDerWaalsContact OG-N 3.14Å; S268-S270 PolarHBondContact OG-OG 3.17Å
271	H	93.6	Very high	88.2	Confident	12 Å²	12	65 Å²	65	6%	0.056	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.7	176.9	64.3	-67.1	0	0	0	113	K199 V200 E202 S206 C207 S268 S269	K199-H271 PolarHBondContact O-NE2 3.33Å; V200-H271 PolarHBondContact O-CE1 2.88Å; E202-H271 PolarHBondContact O-CD2 2.98Å; S206-H271 CarbonylContact C-O 3.56Å; S206-H271 VanDerWaalsContact CA-O 3.32Å; S206-H271 WeakPolarHBondContact CA-O 3.24Å; C207-H271 PolarHBondContact N-O 2.94Å; S268-H271 PolarHBondContact O-CE1 3.05Å; S268-H271 PolarHBondContact O-ND1 2.84Å; S269-H271 PolarHBondContact O-N 3.06Å; S269-H271 VanDerWaalsContact O-N 3.15Å
272	L	95.2	Very high	86.5	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.021	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.4	177.7	-55.5	179.2	0	0	0	109.5	K199 V200 V209 Y255 A258 S269	K199-L272 HydrophobicContact CB-CD2 4.37Å; V200-L272 HydrophobicContact CG2-CD1 4.33Å; V209-L272 HydrophobicContact CG2-CB 4.45Å; V209-L272 HydrophobicContact CG2-CD2 4.08Å; Y255-L272 HydrophobicContact CD2-CB 4.35Å; Y255-L272 HydrophobicContact CE2-CB 4Å; A258-L272 HydrophobicContact CB-CD1 3.71Å; S269-L272 WeakPolarHBondContact O-CB 3.03Å; S269-L272 PolarHBondContact O-N 3.45Å
273	I	95.1	Very high	85.2	Confident	75 Å²	75	69.6 Å²	69.6	39%	0.385	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.3	-178.8	-53.3	-57.5	0	0	0	109.4	C207 S208 V209 M275	C207-I273 PolarHBondContact O-N 3.43Å; S208-I273 CarbonylContact C-O 3.56Å; S208-I273 VanDerWaalsContact CA-O 3.31Å; S208-I273 WeakPolarHBondContact CA-O 3.45Å; V209-I273 PolarHBondContact N-O 2.92Å; I273-M275 PolarHBondContact O-N 3.21Å
274	P	96	Very high	84.3	Confident	53 Å²	53	65.8 Å²	65.8	34%	0.344	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	131.6	179.3	28.1	-32.8	0	0	0	110.8	V209 H211 Y255	V209-P274 CarbonylContact O-C 3.59Å; H211-P274 HydrophobicContact CB-CB 3.87Å; Y255-P274 HydrophobicContact CD1-CB 3.93Å; Y255-P274 HydrophobicContact CD2-CB 3.85Å; Y255-P274 HydrophobicContact CE1-CB 4.05Å; Y255-P274 HydrophobicContact CE1-CG 4.39Å; Y255-P274 HydrophobicContact CE2-CB 3.97Å; Y255-P274 HydrophobicContact CE2-CG 4.19Å; Y255-P274 HydrophobicContact CG-CB 3.83Å
275	M	93.3	Very high	83.8	Confident	59 Å²	59	71.2 Å²	71.2	29%	0.291	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	102.7	175.7	-175.2	-178.2	71.6	0	0	109.1	V209 E210 H211 I273 E277 P279	V209-M275 PolarHBondContact O-N 3.35Å; E210-M275 HydrophobicContact CB-CE 4.28Å; H211-M275 PolarHBondContact N-O 2.97Å; I273-M275 PolarHBondContact O-N 3.21Å; M275-E277 VanDerWaalsContact CG-O 3.31Å; M275-E277 WeakPolarHBondContact CG-O 3.45Å; M275-P279 HydrophobicContact CE-CG 4.29Å; M275-P279 HydrophobicContact SD-CG 4.11Å
276	T	90.3	Very high	83.5	Confident	96 Å²	96	73.2 Å²	73.2	59%	0.589	45%	0.453	S	S	*	.			trans	-84.7	-17.5	-175.7	49.4	0	0	0	0	113.5	C212	C212-T276 WeakPolarHBondContact CB-O 3.28Å
277	E	83	Confident	83.5	Confident	158 Å²	158	66.5 Å²	66.5	74%	0.738	42%	0.417	S	S	*	.	S	Bend	trans	-107.6	134.4	176.8	-65.3	-174.2	177.2	0	0	110.8	M275	M275-E277 VanDerWaalsContact CG-O 3.31Å; M275-E277 WeakPolarHBondContact CG-O 3.45Å
278	Q	69.9	Low	83.5	Confident	89 Å²	89	69.9 Å²	69.9	42%	0.416	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-83.3	125.9	176.2	-140.8	-179.4	-15.7	0	0	109	A280	Q278-A280 PolarHBondContact O-N 3.32Å
279	P	64.9	Low	83.7	Confident	74 Å²	74	67.8 Å²	67.8	48%	0.481	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-58.2	137	176.8	-22.6	31.8	0	0	0	111.2	M275 G281 A282	M275-P279 HydrophobicContact CE-CG 4.29Å; M275-P279 HydrophobicContact SD-CG 4.11Å; P279-G281 PolarHBondContact O-N 3.33Å; P279-A282 WeakPolarHBondContact O-CB 3.07Å; P279-A282 PolarHBondContact O-N 3.11Å
280	A	59	Low	83.8	Confident	110 Å²	110	65.9 Å²	65.9	91%	0.909	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	129.6	175.9	0	0	0	0	0	110.4	Q278	Q278-A280 PolarHBondContact O-N 3.32Å
281	G	62.3	Low	84.1	Confident	84 Å²	84	66.7 Å²	66.7	87%	0.866	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	12.6	178.9	0	0	0	0	0	116.1	P279 G283	P279-G281 PolarHBondContact O-N 3.33Å; G281-G283 PolarHBondContact O-N 3.32Å
282	A	60.7	Low	84.3	Confident	45 Å²	45	66.4 Å²	66.4	37%	0.372	39%	0.388	S	S	.	.			trans	-73.5	79.9	-179.5	0	0	0	0	0	113.8	P279	P279-A282 WeakPolarHBondContact O-CB 3.07Å; P279-A282 PolarHBondContact O-N 3.11Å
283	G	70.8	Confident	84.4	Confident	52 Å²	52	70.2 Å²	70.2	54%	0.536	41%	0.406	S	S	.	.	S	Bend	trans	59.4	-155.7	166.5	0	0	0	0	0	115.3	G281	G281-G283 PolarHBondContact O-N 3.32Å
284	A	77.9	Confident	84.5	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.008	40%	0.395	C	S	.	.	S	Bend	trans	-58.7	138.4	-179	0	0	0	0	0	112.1	P97 D98 E101 N153 R286	P97-A284 HydrophobicContact CB-CB 3.72Å; D98-A284 PolarHBondContact OD1-N 3.06Å; D98-A284 VanDerWaalsContact OD1-N 3.1Å; E101-A284 VanDerWaalsContact CD-CB 3.49Å; E101-A284 HydrophobicContact CG-CB 4.47Å; E101-A284 VanDerWaalsContact OE1-CA 3.3Å; E101-A284 WeakPolarHBondContact OE1-CA 3.32Å; E101-A284 WeakPolarHBondContact OE1-CB 3.36Å; N153-A284 HydrophobicContact CB-CB 4.24Å; A284-R286 WeakPolarHBondContact O-CG 3.29Å
285	Q	86.6	Confident	84.4	Confident	127 Å²	127	66.8 Å²	66.8	59%	0.593	39%	0.39	S	S	*	.			trans	-61.9	139.4	175.5	-68.8	-171.2	-12.8	0	0	111	L152 N153	L152-Q285 HydrophobicContact CB-CB 3.94Å; N153-Q285 WeakPolarHBondContact CB-O 3.41Å; N153-Q285 PolarHBondContact ND2-O 3.4Å
286	R	89.6	Confident	84.6	Confident	69 Å²	69	67.5 Å²	67.5	26%	0.26	39%	0.389	S	S	.	.			trans	-128.8	141.9	-176.1	-65	171.5	-172.1	150.1	4.9	110.3	D98 Y134 A284	D98-R286 IonicContact OD1-NH2 3.89Å; D98-R286 IonicContact OD2-NH2 3.11Å; D98-R286 PolarHBondContact OD2-NH2 3.25Å; Y134-R286 HydrophobicContact CE2-CG 4.23Å; Y134-R286 WeakPolarHBondContact OH-CG 3.1Å; A284-R286 WeakPolarHBondContact O-CG 3.29Å
287	P	92.1	Very high	84.9	Confident	7 Å²	7	63 Å²	63	5%	0.045	36%	0.361	C	S	.	.			trans	-64	139.7	176.6	26.7	-33.7	0	0	0	110.4	Y134 D137 A290	Y134-P287 HydrophobicContact CD1-CG 4Å; Y134-P287 HydrophobicContact CE1-CG 3.97Å; D137-P287 WeakPolarHBondContact O-CA 3.2Å; D137-P287 WeakPolarHBondContact O-CB 3.45Å; P287-A290 HydrophobicContact CB-CB 3.95Å; P287-A290 HydrophobicContact CG-CB 3.87Å
288	Q	93.1	Very high	85.3	Confident	135 Å²	135	61 Å²	61	63%	0.631	35%	0.352	S	S	*	.	S	Bend	trans	-69.1	-42.1	178.4	-172.7	179.4	10.7	0	0	111.3	Q214	Q214-Q288 PolarHBondContact N-O 3.22Å
289	N	96.8	Very high	86.5	Confident	29 Å²	29	63.9 Å²	63.9	16%	0.155	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-151.3	99.5	174.8	-176.5	-3.7	0	0	0	111	G138 P141 Q214 R291	G138-N289 CarbonylContact C-O 3.58Å; G138-N289 WeakPolarHBondContact CA-O 3.35Å; G138-N289 PolarHBondContact O-N 2.99Å; P141-N289 HydrophobicContact CG-CB 3.99Å; Q214-N289 HydrophobicContact CB-CB 3.85Å; Q214-N289 HydrophobicContact CG-CB 4.23Å; N289-R291 WeakPolarHBondContact OD1-CB 3.38Å; N289-R291 PolarHBondContact OD1-N 2.8Å; N289-R291 VanDerWaalsContact OD1-N 3.14Å
290	A	97.1	Very high	87.9	Confident	5 Å²	5	63.1 Å²	63.1	4%	0.041	36%	0.361	C	S	.	.			trans	-98.8	40.9	177.4	0	0	0	0	0	112.5	D133 P287 L292	D133-A290 HydrophobicContact CB-CB 3.94Å; P287-A290 HydrophobicContact CB-CB 3.95Å; P287-A290 HydrophobicContact CG-CB 3.87Å; A290-L292 PolarHBondContact O-N 3.36Å
291	R	98.3	Very high	89.6	Confident	116 Å²	116	60.4 Å²	60.4	44%	0.438	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-51.5	124.9	178.1	-177.6	177.9	178.2	173.9	-2	110.8	P141 P142 Y143 F216 N289	P141-R291 HydrophobicContact CB-CB 3.86Å; P142-R291 CarbonylContact C-O 3.55Å; P142-R291 WeakPolarHBondContact CA-O 3.45Å; P142-R291 HydrophobicContact CB-CB 4.47Å; P142-R291 HydrophobicContact CB-CG 4.09Å; Y143-R291 PolarHBondContact N-O 2.87Å; F216-R291 HydrophobicContact CD2-CB 4.25Å; F216-R291 HydrophobicContact CD2-CG 4.37Å; F216-R291 HydrophobicContact CE1-CG 4.15Å; F216-R291 HydrophobicContact CE2-CB 3.48Å; F216-R291 VanDerWaalsContact CE2-CB 3.48Å; F216-R291 HydrophobicContact CE2-CG 3.64Å; F216-R291 HydrophobicContact CZ-CB 3.84Å; F216-R291 HydrophobicContact CZ-CG 3.51Å; N289-R291 WeakPolarHBondContact OD1-CB 3.38Å; N289-R291 PolarHBondContact OD1-N 2.8Å; N289-R291 VanDerWaalsContact OD1-N 3.14Å
292	L	98.4	Very high	91	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.037	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-90.6	137.8	176	-57.7	-176.8	0	0	0	110.9	D133 F136 R177 H245 A290	D133-L292 HydrophobicContact CB-CD1 4.24Å; D133-L292 HydrophobicContact CB-CD2 4Å; D133-L292 HydrophobicContact CB-CG 4.16Å; F136-L292 HydrophobicContact CD2-CD2 3.87Å; F136-L292 HydrophobicContact CE2-CD2 3.61Å; R177-L292 HydrophobicContact CB-CD1 4.17Å; R177-L292 WeakPolarHBondContact O-CD1 3.32Å; H245-L292 HydrophobicContact CB-CB 3.96Å; H245-L292 HydrophobicContact CB-CD1 4.2Å; A290-L292 PolarHBondContact O-N 3.36Å
293	E	97.5	Very high	92.4	Very high	83 Å²	83	56 Å²	56	39%	0.388	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-85.3	123.6	168.6	-167	-173.3	168.7	0	0	109.6	P142 Y143 H245 S295	P142-E293 HydrophobicContact CB-CB 4.38Å; Y143-E293 PolarHBondContact O-N 2.92Å; H245-E293 WeakPolarHBondContact CB-O 3.24Å; H245-E293 PolarHBondContact ND1-O 3.27Å; E293-S295 WeakPolarHBondContact OE1-CB 3.4Å; E293-S295 PolarHBondContact OE1-OG 3.25Å
294	C	96.6	Very high	93.5	Very high	22 Å²	22	54 Å²	54	15%	0.149	28%	0.28	C	S	.	.			trans	-104.4	12.7	-174.3	-58.8	0	0	0	0	113.5	S247 R296 L297	S247-C294 PolarHBondContact N-SG 3.07Å; C294-R296 PolarHBondContact O-N 3.34Å; C294-L297 PolarHBondContact O-N 2.88Å
295	S	94.7	Very high	94.3	Very high	35 Å²	35	60.1 Å²	60.1	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-61.3	-30.6	-171.1	56.7	0	0	0	0	112.8	E293 L297 E298 L299	E293-S295 WeakPolarHBondContact OE1-CB 3.4Å; E293-S295 PolarHBondContact OE1-OG 3.25Å; S295-L297 PolarHBondContact O-N 2.82Å; S295-E298 PolarHBondContact O-N 2.92Å; S295-L299 WeakPolarHBondContact O-CB 3.2Å; S295-L299 VanDerWaalsContact O-CG 3.28Å; S295-L299 WeakPolarHBondContact O-CG 3.5Å; S295-L299 PolarHBondContact O-N 3.5Å
296	R	96.6	Very high	94.7	Very high	73 Å²	73	55 Å²	55	28%	0.275	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-43.1	177.8	-170.6	179.1	173.4	172.7	-1.9	113.3	E145 R241 I243 F244 C294 E298 L300	E145-R296 WeakPolarHBondContact OE1-CB 3.24Å; R241-R296 PolarHBondContact O-NH2 3.32Å; I243-R296 PolarHBondContact O-NH1 3.3Å; F244-R296 HydrophobicContact CD1-CG 4.2Å; F244-R296 HydrophobicContact CE1-CG 4.26Å; C294-R296 PolarHBondContact O-N 3.34Å; R296-E298 VanDerWaalsContact C-N 3.33Å; R296-L300 HydrophobicContact CG-CD1 4.24Å; R296-L300 WeakPolarHBondContact O-CG 3.49Å; R296-L300 PolarHBondContact O-N 2.96Å
297	L	95.9	Very high	95.1	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-65.8	-40.6	177.5	-77	179.2	0	0	0	110.7	L176 V226 M230 F244 H245 Y246 C294 S295 L300 G301 L302 G303	L176-L297 HydrophobicContact CD1-CD1 4.41Å; V226-L297 HydrophobicContact CG1-CD1 3.75Å; V226-L297 HydrophobicContact CG1-CD2 4.37Å; M230-L297 HydrophobicContact CG-CD2 4.36Å; M230-L297 HydrophobicContact SD-CD2 4.28Å; F244-L297 HydrophobicContact CB-CD2 4.27Å; F244-L297 HydrophobicContact CB-CG 4.46Å; F244-L297 HydrophobicContact CD1-CD2 3.66Å; F244-L297 HydrophobicContact CD1-CG 4.26Å; F244-L297 HydrophobicContact CE1-CD2 4.38Å; F244-L297 HydrophobicContact CG-CD2 4.24Å; H245-L297 WeakPolarHBondContact O-CD1 3.31Å; Y246-L297 HydrophobicContact CD2-CD1 3.97Å; Y246-L297 HydrophobicContact CG-CD1 4.4Å; C294-L297 PolarHBondContact O-N 2.88Å; S295-L297 PolarHBondContact O-N 2.82Å; L297-L300 PolarHBondContact O-N 3.25Å; L297-G301 PolarHBondContact O-N 2.75Å; L297-L302 HydrophobicContact CD2-CB 3.92Å; L297-L302 HydrophobicContact CD2-CD1 4.42Å; L297-L302 CarbonylContact O-C 3.56Å; L297-L302 WeakPolarHBondContact O-CA 3.26Å; L297-L302 PolarHBondContact O-N 3.42Å; L297-G303 PolarHBondContact O-N 3.49Å
298	E	92.1	Very high	95.4	Very high	117 Å²	117	57.5 Å²	57.5	55%	0.547	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-47.7	178.1	-63.5	176.4	176.9	0	0	111.6	S295 R296 L300 G301	S295-E298 PolarHBondContact O-N 2.92Å; R296-E298 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 2.85Å; E298-G301 PolarHBondContact O-N 2.96Å
299	L	94.9	Very high	95.6	Very high	150 Å²	150	51.1 Å²	51.1	79%	0.785	28%	0.278	S	S	*	.	H	α-helix	trans	-60.5	-29.8	178	-73.7	171.2	0	0	0	113.2	S295 G301	S295-L299 WeakPolarHBondContact O-CB 3.2Å; S295-L299 VanDerWaalsContact O-CG 3.28Å; S295-L299 WeakPolarHBondContact O-CG 3.5Å; S295-L299 PolarHBondContact O-N 3.5Å; L299-G301 VanDerWaalsContact C-N 3.31Å
300	L	94.9	Very high	95.7	Very high	57 Å²	57	53.7 Å²	53.7	30%	0.298	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-0.5	176.3	-66.1	170.5	0	0	0	113	R233 I240 F244 R296 L297 E298 L302	R233-L300 PolarHBondContact NH1-O 2.96Å; R233-L300 PolarHBondContact NH2-O 3.15Å; I240-L300 HydrophobicContact CD1-CD1 4.35Å; F244-L300 HydrophobicContact CE1-CD1 3.64Å; F244-L300 HydrophobicContact CZ-CD1 4.43Å; R296-L300 HydrophobicContact CG-CD1 4.24Å; R296-L300 WeakPolarHBondContact O-CG 3.49Å; R296-L300 PolarHBondContact O-N 2.96Å; L297-L300 PolarHBondContact O-N 3.25Å; E298-L300 PolarHBondContact O-N 2.85Å; L300-L302 VanDerWaalsContact C-N 3.25Å; L300-L302 HydrophobicContact CB-CD1 4.06Å; L300-L302 HydrophobicContact CB-CG 4.1Å; L300-L302 PolarHBondContact O-N 3.45Å
301	G	93.7	Very high	95.8	Very high	53 Å²	53	56.2 Å²	56.2	55%	0.546	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	32.1	-174.2	0	0	0	0	0	112.7	R233 L297 E298 L299	R233-G301 PolarHBondContact NH2-O 3.41Å; L297-G301 PolarHBondContact O-N 2.75Å; E298-G301 PolarHBondContact O-N 2.96Å; L299-G301 VanDerWaalsContact C-N 3.31Å
302	L	93.5	Very high	95.7	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	28%	0.282	C	S	.	.			trans	-112.7	10.8	175.6	-59	175.8	0	0	0	111.5	Q229 M230 R233 I240 L297 L300	Q229-L302 HydrophobicContact CB-CD2 4.13Å; Q229-L302 PolarHBondContact OE1-O 2.85Å; M230-L302 HydrophobicContact CG-CD1 4.25Å; R233-L302 HydrophobicContact CB-CD2 3.81Å; R233-L302 HydrophobicContact CG-CD2 4.23Å; I240-L302 HydrophobicContact CD1-CD1 4.16Å; L297-L302 HydrophobicContact CD2-CB 3.92Å; L297-L302 HydrophobicContact CD2-CD1 4.42Å; L297-L302 CarbonylContact O-C 3.56Å; L297-L302 WeakPolarHBondContact O-CA 3.26Å; L297-L302 PolarHBondContact O-N 3.42Å; L300-L302 VanDerWaalsContact C-N 3.25Å; L300-L302 HydrophobicContact CB-CD1 4.06Å; L300-L302 HydrophobicContact CB-CG 4.1Å; L300-L302 PolarHBondContact O-N 3.45Å
303	G	88.5	Confident	95.7	Very high	35 Å²	35	50.3 Å²	50.3	36%	0.361	28%	0.28	S	S	.	.			trans	-67	135.8	174.7	0	0	0	0	0	111	L297	L297-G303 PolarHBondContact O-N 3.49Å
304	V	93.8	Very high	95.7	Very high	10 Å²	10	51.9 Å²	51.9	6%	0.061	28%	0.282	C	S	.	.			trans	-112.8	120.7	172.4	171.6	0	0	0	0	107.9	D222 R225 V226 Y246 P306	D222-V304 HydrophobicContact CB-CG1 4.22Å; R225-V304 HydrophobicContact CB-CG1 4.13Å; R225-V304 HydrophobicContact CB-CG2 3.89Å; R225-V304 VanDerWaalsContact NH2-CG1 3.3Å; V226-V304 HydrophobicContact CB-CG2 4.48Å; V226-V304 HydrophobicContact CG2-CB 3.83Å; V226-V304 HydrophobicContact CG2-CG2 3.52Å; Y246-V304 HydrophobicContact CE2-CB 4.12Å; Y246-V304 PolarHBondContact OH-O 2.96Å; Y246-V304 VanDerWaalsContact OH-O 3.05Å; V304-P306 VanDerWaalsContact O-CD 3.24Å; V304-P306 WeakPolarHBondContact O-CD 3.42Å
305	E	95.1	Very high	95.6	Very high	129 Å²	129	54.7 Å²	54.7	60%	0.603	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-63.2	119.1	173.5	-168.9	58.1	-144.8	0	0	109.1	R225 K249	R225-E305 PolarHBondContact NH2-O 2.76Å; R225-E305 VanDerWaalsContact NH2-O 3.08Å; K249-E305 IonicContact NZ-OE1 3.64Å; K249-E305 PolarHBondContact NZ-OE1 3.24Å; K249-E305 IonicContact NZ-OE2 3.98Å; K249-E305 PolarHBondContact NZ-OE2 3.39Å
306	P	95.6	Very high	95.7	Very high	18 Å²	18	53.1 Å²	53.1	12%	0.117	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-66.6	142.3	-176.7	-20.9	33.6	0	0	0	111.6	D222 K249 V304	D222-P306 WeakPolarHBondContact OD2-CA 3.29Å; K249-P306 HydrophobicContact CD-CG 4.3Å; K249-P306 HydrophobicContact CG-CG 4.11Å; V304-P306 VanDerWaalsContact O-CD 3.24Å; V304-P306 WeakPolarHBondContact O-CD 3.42Å
307	I	97.5	Very high	95.7	Very high	57 Å²	57	49.7 Å²	49.7	29%	0.292	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-71.7	133.1	169.8	-64.8	170.1	0	0	0	107.9	Y219 D222 F309 T311 A312	Y219-I307 HydrophobicContact CD1-CB 4.22Å; Y219-I307 HydrophobicContact CD1-CD1 3.88Å; Y219-I307 HydrophobicContact CE1-CD1 3.75Å; D222-I307 PolarHBondContact OD2-N 3.27Å; I307-F309 PolarHBondContact O-N 2.73Å; I307-T311 HydrophobicContact CG2-CG2 4.24Å; I307-A312 HydrophobicContact CB-CB 4.37Å; I307-A312 HydrophobicContact CG2-CB 3.84Å
308	P	98.4	Very high	95.7	Very high	73 Å²	73	57.9 Å²	57.9	47%	0.474	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-54.5	136.9	179.2	-27.4	34.7	0	0	0	112.4	K310 T311 A312	P308-K310 VanDerWaalsContact C-N 3.32Å; P308-K310 PolarHBondContact O-N 3.47Å; P308-T311 WeakPolarHBondContact O-CB 3.4Å; P308-T311 PolarHBondContact O-N 2.85Å; P308-A312 PolarHBondContact O-N 3.46Å
309	F	98.5	Very high	95.8	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-53.2	-47.9	-173.7	177.8	-104.7	0	0	0	112.2	Y182 V193 P217 E250 M252 M257 V260 I261 I307 T311 A312 V313	Y182-F309 HydrophobicContact CD1-CD2 4.47Å; Y182-F309 HydrophobicContact CD1-CE2 4.3Å; Y182-F309 HydrophobicContact CD2-CE2 4.38Å; Y182-F309 AromaticContact CE1-CD2 3.77Å; Y182-F309 HydrophobicContact CE1-CD2 3.77Å; Y182-F309 HydrophobicContact CE1-CE2 4.04Å; Y182-F309 HydrophobicContact CE2-CD2 4.07Å; Y182-F309 HydrophobicContact CE2-CE2 4.12Å; Y182-F309 HydrophobicContact CG-CE2 4.46Å; Y182-F309 AromaticContact CZ-CD2 3.54Å; Y182-F309 AromaticContact CZ-CE2 3.95Å; Y182-F309 WeakPolarHBondContact OH-CA 3.29Å; V193-F309 HydrophobicContact CG1-CE2 3.74Å; V193-F309 HydrophobicContact CG1-CZ 3.76Å; P217-F309 HydrophobicContact CB-CD2 3.64Å; P217-F309 HydrophobicContact CB-CE2 3.59Å; P217-F309 HydrophobicContact CG-CD2 3.58Å; P217-F309 HydrophobicContact CG-CE2 3.83Å; P217-F309 HydrophobicContact CG-CG 4.19Å; E250-F309 VanDerWaalsContact OE2-CB 3.32Å; E250-F309 WeakPolarHBondContact OE2-CB 3.38Å; E250-F309 PolarHBondContact OE2-N 3.44Å; M252-F309 HydrophobicContact CE-CB 4.02Å; M252-F309 HydrophobicContact CE-CD1 3.74Å; M252-F309 HydrophobicContact CE-CG 4.07Å; M252-F309 HydrophobicContact SD-CD1 3.71Å; M252-F309 HydrophobicContact SD-CE1 4Å; M252-F309 HydrophobicContact SD-CG 4.2Å; M257-F309 HydrophobicContact CB-CE1 4.28Å; M257-F309 HydrophobicContact CB-CZ 4.06Å; M257-F309 HydrophobicContact CG-CE1 4.26Å; M257-F309 HydrophobicContact CG-CE2 4.49Å; M257-F309 HydrophobicContact CG-CZ 3.93Å; M257-F309 HydrophobicContact SD-CZ 4.44Å; V260-F309 HydrophobicContact CB-CD1 4.01Å; V260-F309 HydrophobicContact CB-CE1 3.97Å; V260-F309 HydrophobicContact CG1-CD1 3.59Å; V260-F309 HydrophobicContact CG1-CE1 3.95Å; I261-F309 HydrophobicContact CD1-CZ 4.45Å; I261-F309 HydrophobicContact CG1-CE1 4.3Å; I261-F309 HydrophobicContact CG1-CZ 4.28Å; I307-F309 PolarHBondContact O-N 2.73Å; F309-T311 VanDerWaalsContact C-N 3.26Å; F309-T311 PolarHBondContact O-N 2.9Å; F309-A312 PolarHBondContact O-N 2.73Å; F309-V313 HydrophobicContact CD1-CG1 4.36Å; F309-V313 HydrophobicContact CD2-CB 4.49Å; F309-V313 HydrophobicContact CE1-CB 4.3Å; F309-V313 HydrophobicContact CE1-CG1 4.07Å; F309-V313 HydrophobicContact CE1-CG2 4.47Å; F309-V313 HydrophobicContact CE2-CB 4.12Å; F309-V313 HydrophobicContact CE2-CG2 4.16Å; F309-V313 HydrophobicContact CZ-CB 4.02Å; F309-V313 HydrophobicContact CZ-CG1 4.27Å; F309-V313 HydrophobicContact CZ-CG2 3.87Å; F309-V313 VanDerWaalsContact O-CB 3.26Å; F309-V313 WeakPolarHBondContact O-CB 3.45Å; F309-V313 VanDerWaalsContact O-CG1 3.24Å; F309-V313 WeakPolarHBondContact O-CG1 3.45Å; F309-V313 PolarHBondContact O-N 2.71Å
310	K	98.3	Very high	95.7	Very high	83 Å²	83	51.6 Å²	51.6	36%	0.361	28%	0.276	S	S	.	.	H	α-helix	trans	-54.8	-41.1	178.7	-170.4	176.9	-178.8	170.8	0	112.4	V260 D263 A264 P308 R314	V260-K310 HydrophobicContact CG1-CB 3.85Å; V260-K310 HydrophobicContact CG1-CG 4.15Å; D263-K310 IonicContact OD1-NZ 2.67Å; D263-K310 PolarHBondContact OD1-NZ 2.8Å; D263-K310 VanDerWaalsContact OD2-CE 3.24Å; D263-K310 WeakPolarHBondContact OD2-CE 3.32Å; D263-K310 IonicContact OD2-NZ 2.73Å; D263-K310 PolarHBondContact OD2-NZ 3.49Å; A264-K310 HydrophobicContact CB-CG 3.8Å; P308-K310 VanDerWaalsContact C-N 3.32Å; P308-K310 PolarHBondContact O-N 3.47Å; K310-R314 WeakPolarHBondContact O-CB 3.45Å; K310-R314 PolarHBondContact O-N 2.84Å
311	T	98.1	Very high	95.3	Very high	57 Å²	57	53 Å²	53	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-70.9	-54.5	179.4	-57.6	0	0	0	0	110.8	I307 P308 F309 V313 R314 D315	I307-T311 HydrophobicContact CG2-CG2 4.24Å; P308-T311 WeakPolarHBondContact O-CB 3.4Å; P308-T311 PolarHBondContact O-N 2.85Å; F309-T311 VanDerWaalsContact C-N 3.26Å; F309-T311 PolarHBondContact O-N 2.9Å; T311-V313 VanDerWaalsContact C-N 3.35Å; T311-V313 PolarHBondContact O-N 3.4Å; T311-R314 PolarHBondContact O-N 2.81Å; T311-D315 PolarHBondContact O-N 3.37Å; T311-D315 VanDerWaalsContact O-N 3.11Å
312	A	97.8	Very high	94.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-35.7	-175.8	0	0	0	0	0	112.6	Y182 Y219 I307 P308 F309 D315 S316	Y182-A312 HydrophobicContact CE2-CB 3.78Å; Y182-A312 VanDerWaalsContact OH-CB 3.24Å; Y182-A312 WeakPolarHBondContact OH-CB 3.38Å; Y219-A312 HydrophobicContact CD1-CB 3.81Å; Y219-A312 HydrophobicContact CD2-CB 4.07Å; Y219-A312 HydrophobicContact CE1-CB 3.96Å; Y219-A312 HydrophobicContact CE2-CB 4.26Å; Y219-A312 HydrophobicContact CG-CB 3.86Å; I307-A312 HydrophobicContact CB-CB 4.37Å; I307-A312 HydrophobicContact CG2-CB 3.84Å; P308-A312 PolarHBondContact O-N 3.46Å; F309-A312 PolarHBondContact O-N 2.73Å; A312-D315 PolarHBondContact O-N 2.79Å; A312-S316 WeakPolarHBondContact O-CB 3.49Å; A312-S316 PolarHBondContact O-N 2.87Å; A312-S316 PolarHBondContact O-OG 3.14Å
313	V	97.7	Very high	93.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-71.5	-35.4	179.3	82.1	0	0	0	0	111.6	Y182 I261 A264 F309 T311 S316 L317	Y182-V313 HydrophobicContact CD2-CB 4.47Å; Y182-V313 HydrophobicContact CD2-CG2 4.39Å; Y182-V313 HydrophobicContact CE2-CB 4.1Å; Y182-V313 HydrophobicContact CE2-CG2 4.5Å; I261-V313 HydrophobicContact CD1-CG2 4.07Å; I261-V313 HydrophobicContact CG1-CB 4.5Å; I261-V313 HydrophobicContact CG1-CG1 4.03Å; I261-V313 HydrophobicContact CG1-CG2 3.67Å; A264-V313 HydrophobicContact CB-CG1 4.3Å; F309-V313 HydrophobicContact CD1-CG1 4.36Å; F309-V313 HydrophobicContact CD2-CB 4.49Å; F309-V313 HydrophobicContact CE1-CB 4.3Å; F309-V313 HydrophobicContact CE1-CG1 4.07Å; F309-V313 HydrophobicContact CE1-CG2 4.47Å; F309-V313 HydrophobicContact CE2-CB 4.12Å; F309-V313 HydrophobicContact CE2-CG2 4.16Å; F309-V313 HydrophobicContact CZ-CB 4.02Å; F309-V313 HydrophobicContact CZ-CG1 4.27Å; F309-V313 HydrophobicContact CZ-CG2 3.87Å; F309-V313 VanDerWaalsContact O-CB 3.26Å; F309-V313 WeakPolarHBondContact O-CB 3.45Å; F309-V313 VanDerWaalsContact O-CG1 3.24Å; F309-V313 WeakPolarHBondContact O-CG1 3.45Å; F309-V313 PolarHBondContact O-N 2.71Å; T311-V313 VanDerWaalsContact C-N 3.35Å; T311-V313 PolarHBondContact O-N 3.4Å; V313-S316 PolarHBondContact O-N 2.9Å; V313-L317 HydrophobicContact CG2-CD1 3.85Å; V313-L317 HydrophobicContact CG2-CG 4.44Å; V313-L317 WeakPolarHBondContact O-CB 3.46Å; V313-L317 PolarHBondContact O-N 3.47Å
314	R	96.9	Very high	91.9	Very high	116 Å²	116	66.2 Å²	66.2	44%	0.438	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-50.6	172	-172.7	-168.9	64	-167.1	-4.8	110.7	A264 F265 K310 T311 S316 L317 W318	A264-R314 HydrophobicContact CB-CB 4.23Å; F265-R314 HydrophobicContact CE1-CG 4.23Å; F265-R314 HydrophobicContact CE2-CB 4.38Å; F265-R314 HydrophobicContact CE2-CG 4.31Å; F265-R314 HydrophobicContact CZ-CB 4.37Å; F265-R314 HydrophobicContact CZ-CG 3.98Å; F265-R314 WeakPolarHBondContact CZ-O 3.44Å; K310-R314 WeakPolarHBondContact O-CB 3.45Å; K310-R314 PolarHBondContact O-N 2.84Å; T311-R314 PolarHBondContact O-N 2.81Å; R314-S316 PolarHBondContact O-N 3.06Å; R314-L317 PolarHBondContact O-N 3.3Å; R314-W318 WeakPolarHBondContact O-CB 3.4Å; R314-W318 PolarHBondContact O-N 3.21Å
315	D	95.9	Very high	90.1	Very high	80 Å²	80	76.2 Å²	76.2	43%	0.428	35%	0.353	S	S	.	.	H	α-helix	trans	-63.5	-28.4	-179.4	-63.7	-5	0	0	0	111.7	T311 A312	T311-D315 PolarHBondContact O-N 3.37Å; T311-D315 VanDerWaalsContact O-N 3.11Å; A312-D315 PolarHBondContact O-N 2.79Å
316	S	96.8	Very high	88	Confident	3 Å²	3	77.7 Å²	77.7	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-76.2	-36.2	176.1	-60	0	0	0	0	113.7	G183 A312 V313 R314	G183-S316 VanDerWaalsContact CA-OG 3.24Å; G183-S316 WeakPolarHBondContact CA-OG 3.39Å; G183-S316 VanDerWaalsContact O-CB 3.32Å; G183-S316 WeakPolarHBondContact O-CB 3.45Å; G183-S316 PolarHBondContact O-OG 3.42Å; A312-S316 WeakPolarHBondContact O-CB 3.49Å; A312-S316 PolarHBondContact O-N 2.87Å; A312-S316 PolarHBondContact O-OG 3.14Å; V313-S316 PolarHBondContact O-N 2.9Å; R314-S316 PolarHBondContact O-N 3.06Å
317	L	96.5	Very high	85.7	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-103.6	-11.5	-171.1	-70.4	175.6	0	0	0	114.2	V188 T194 W197 I261 F265 V313 R314 P319 F320	V188-L317 HydrophobicContact CG1-CD2 4.31Å; T194-L317 HydrophobicContact CG2-CD2 3.96Å; T194-L317 HydrophobicContact CG2-CG 4.45Å; W197-L317 HydrophobicContact CB-CD1 4.15Å; W197-L317 HydrophobicContact CB-CD2 3.99Å; W197-L317 HydrophobicContact CD2-CB 4.35Å; W197-L317 HydrophobicContact CD2-CD1 4.08Å; W197-L317 HydrophobicContact CD2-CD2 4.37Å; W197-L317 HydrophobicContact CE3-CB 4.33Å; W197-L317 HydrophobicContact CE3-CD1 3.74Å; W197-L317 HydrophobicContact CG-CD1 4.33Å; W197-L317 HydrophobicContact CG-CD2 4.06Å; W197-L317 HydrophobicContact CZ3-CD1 4.42Å; I261-L317 HydrophobicContact CD1-CD1 4.31Å; I261-L317 HydrophobicContact CG1-CD1 4.36Å; I261-L317 HydrophobicContact CG2-CD1 3.87Å; F265-L317 HydrophobicContact CE2-CB 3.82Å; F265-L317 HydrophobicContact CZ-CB 3.68Å; V313-L317 HydrophobicContact CG2-CD1 3.85Å; V313-L317 HydrophobicContact CG2-CG 4.44Å; V313-L317 WeakPolarHBondContact O-CB 3.46Å; V313-L317 PolarHBondContact O-N 3.47Å; R314-L317 PolarHBondContact O-N 3.3Å; L317-P319 VanDerWaalsContact C-N 3.28Å; L317-P319 VanDerWaalsContact O-N 3.15Å; L317-F320 HydrophobicContact CD2-CD2 4.38Å; L317-F320 WeakPolarHBondContact O-CB 3.24Å; L317-F320 PolarHBondContact O-N 2.87Å
318	W	94.6	Very high	83.4	Confident	173 Å²	173	88.5 Å²	88.5	66%	0.655	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-52.4	-37	-178.5	94.3	-94.9	0	0	0	114.6	F265 R314 F320 L321	F265-W318 HydrophobicContact CE1-CB 4.29Å; R314-W318 WeakPolarHBondContact O-CB 3.4Å; R314-W318 PolarHBondContact O-N 3.21Å; W318-F320 PolarHBondContact O-N 2.99Å; W318-L321 WeakPolarHBondContact O-CB 3.35Å; W318-L321 PolarHBondContact O-N 3.16Å
319	P	94.4	Very high	80.8	Confident	81 Å²	81	90.9 Å²	90.9	53%	0.526	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-67.5	-17.2	178.9	-19.4	34.8	0	0	0	113.4	L317	L317-P319 VanDerWaalsContact C-N 3.28Å; L317-P319 VanDerWaalsContact O-N 3.15Å
320	F	92.3	Very high	77.9	Confident	55 Å²	55	95.6 Å²	95.6	24%	0.241	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-97.4	4.8	-179.1	-57.9	-86.2	0	0	0	112.6	V185 V188 W197 Q201 L317 W318 Y322	V185-F320 HydrophobicContact CG2-CE2 3.69Å; V185-F320 HydrophobicContact CG2-CZ 3.93Å; V185-F320 WeakPolarHBondContact O-CZ 3.33Å; V188-F320 HydrophobicContact CG1-CB 4.15Å; V188-F320 HydrophobicContact CG1-CD1 3.64Å; V188-F320 HydrophobicContact CG1-CD2 4.19Å; V188-F320 HydrophobicContact CG1-CE1 4.04Å; V188-F320 HydrophobicContact CG1-CG 3.72Å; V188-F320 HydrophobicContact CG1-CZ 4.47Å; W197-F320 PolarHBondContact NE1-O 3.44Å; Q201-F320 PolarHBondContact NE2-O 3.24Å; L317-F320 HydrophobicContact CD2-CD2 4.38Å; L317-F320 WeakPolarHBondContact O-CB 3.24Å; L317-F320 PolarHBondContact O-N 2.87Å; W318-F320 PolarHBondContact O-N 2.99Å; F320-Y322 PolarHBondContact O-N 3.43Å
321	L	88.3	Confident	75.3	Confident	87 Å²	87	100.7 Å²	100.7	46%	0.455	46%	0.461	S	S	.	.			trans	-70	115.4	173.5	-172.8	65.1	0	0	0	110.4	W197 F265 W318 D323	W197-L321 HydrophobicContact CH2-CD1 3.91Å; W197-L321 HydrophobicContact CZ2-CB 4.16Å; W197-L321 HydrophobicContact CZ2-CD1 3.97Å; F265-L321 HydrophobicContact CD1-CD1 4.21Å; F265-L321 HydrophobicContact CD1-CD2 4.24Å; W318-L321 WeakPolarHBondContact O-CB 3.35Å; W318-L321 PolarHBondContact O-N 3.16Å; L321-D323 PolarHBondContact O-N 3.19Å
322	Y	80.2	Confident	72.4	Confident	133 Å²	133	110.3 Å²	110.3	52%	0.522	50%	0.501	S	S	.	.			trans	-65.4	121.4	174.4	-65.8	-58.1	0	0	0	110	F320 K324	F320-Y322 PolarHBondContact O-N 3.43Å; Y322-K324 PolarHBondContact O-N 2.99Å; Y322-K324 VanDerWaalsContact O-N 3.17Å
323	D	67.1	Low	71.1	Confident	83 Å²	83	115.8 Å²	115.8	44%	0.444	53%	0.526	S	S	.	.			trans	-76.7	100.3	162.1	-167.2	-6.6	0	0	0	109	L321 R325 W326	L321-D323 PolarHBondContact O-N 3.19Å; D323-R325 PolarHBondContact O-N 2.84Å; D323-R325 WeakPolarHBondContact OD1-CB 3.48Å; D323-R325 WeakPolarHBondContact OD1-CD 3.39Å; D323-R325 WeakPolarHBondContact OD1-CG 3.43Å; D323-R325 PolarHBondContact OD1-N 3.15Å; D323-R325 IonicContact OD1-NE 2.74Å; D323-W326 VanDerWaalsContact O-CD1 3.29Å; D323-W326 PolarHBondContact O-NE1 2.74Å
324	K	57	Low	69.7	Low	152 Å²	152	121.9 Å²	121.9	66%	0.661	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-68.4	-8.5	177.2	-71.9	-172.4	177.6	-178.8	0	113.1	Y322 W326	Y322-K324 PolarHBondContact O-N 2.99Å; Y322-K324 VanDerWaalsContact O-N 3.17Å; K324-W326 VanDerWaalsContact C-N 3.28Å; K324-W326 PolarHBondContact O-N 2.96Å
325	R	55.5	Low	68.2	Low	220 Å²	220	122.2 Å²	122.2	83%	0.83	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-64.3	-23.9	-172.8	-68.6	173.5	-161.6	-170.7	7	114.8	D323	D323-R325 PolarHBondContact O-N 2.84Å; D323-R325 WeakPolarHBondContact OD1-CB 3.48Å; D323-R325 WeakPolarHBondContact OD1-CD 3.39Å; D323-R325 WeakPolarHBondContact OD1-CG 3.43Å; D323-R325 PolarHBondContact OD1-N 3.15Å; D323-R325 IonicContact OD1-NE 2.74Å
326	W	49.7	Very low	66.6	Low	160 Å²	160	124.7 Å²	124.7	61%	0.606	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-111.3	-4.6	-175.5	65.9	-86.5	0	0	0	115	D323 K324	D323-W326 VanDerWaalsContact O-CD1 3.29Å; D323-W326 PolarHBondContact O-NE1 2.74Å; K324-W326 VanDerWaalsContact C-N 3.28Å; K324-W326 PolarHBondContact O-N 2.96Å
327	R	49.2	Very low	64.7	Low	122 Å²	122	132.3 Å²	132.3	46%	0.46	60%	0.602	S	S	.	*			trans	-107	9.4	-172.9	-70.7	-170.9	176.6	-177.7	-0.5	115.3	T329 V330	R327-T329 PolarHBondContact O-N 2.83Å; R327-V330 PolarHBondContact O-N 2.64Å
328	Q	47.9	Very low	62.6	Low	179 Å²	179	141.1 Å²	141.1	84%	0.836	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	0	178.2	-76.6	-174.7	-14.5	0	0	114.6
329	T	44.6	Very low	60.3	Low	124 Å²	124	138.9 Å²	138.9	76%	0.761	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.8	10.7	-178.9	42.8	0	0	0	0	116.1	R327	R327-T329 PolarHBondContact O-N 2.83Å
330	V	38.1	Very low	57.7	Low	99 Å²	99	143.3 Å²	143.3	60%	0.6	65%	0.65	S	S	*	*	S	Bend	trans	-113.2	-2.1	-177	-168	0	0	0	0	114.7	R327	R327-V330 PolarHBondContact O-N 2.64Å
331	F	43.7	Very low	54.8	Low	191 Å²	191	150.7 Å²	150.7	84%	0.838	68%	0.684	S	S	*	*			trans	-127.9	85.8	167.9	-68.9	-75.2	0	0	0	109.5
332	H	36.5	Very low	51.8	Low	258 Å²	258	156.5 Å²	156.5	100%	1.194	71%	0.705	S	S	*	*			trans	-101.4	0	153.4	-108.2	-44.1	0	0	0	108.8

Retrieved 332 of 332 residues in 1760.7 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).