I1JQH3_SOYBN Loading...

Zinc finger protein CONSTANS-LIKE 13-like

AlphaFold DB , UniProt , Accession I1JQH3, Species SOYBN (Glycine max, Soybean), Gene COL15, Length 349 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	38.3	Very low	79	Confident	238 Å²	238	86.2 Å²	86.2	100%	1.172	50%	0.495	S	S	*	.				0	102.3	0	-61.6	-68	-173.4	0	0	106.3	G3	M1-G3 PolarHBondContact O-N 2.86Å
2	S	45.1	Very low	80.3	Confident	125 Å²	125	83.2 Å²	83.2	87%	0.874	50%	0.496	S	S	*	.			trans	-67.9	90.7	167.7	51	0	0	0	0	106.2	E4	S2-E4 PolarHBondContact O-N 2.84Å
3	G	58.6	Low	81.4	Confident	70 Å²	70	88.6 Å²	88.6	72%	0.722	51%	0.513	S	S	*	.			trans	-62.3	108.8	173.8	0	0	0	0	0	106.9	M1 A5	M1-G3 PolarHBondContact O-N 2.86Å; G3-A5 PolarHBondContact O-N 3.3Å
4	E	70.5	Confident	82.4	Confident	123 Å²	123	84.2 Å²	84.2	58%	0.575	49%	0.49	S	S	*	.			trans	-53.9	136.1	165.6	-175.6	57.3	-123.4	0	0	107.1	S2 R6	S2-E4 PolarHBondContact O-N 2.84Å; E4-R6 PolarHBondContact O-N 3.06Å
5	A	82.1	Confident	83.3	Confident	57 Å²	57	81.5 Å²	81.5	47%	0.471	48%	0.475	S	S	.	.			trans	-60	144.3	-175.2	0	0	0	0	0	110	G3 S7	G3-A5 PolarHBondContact O-N 3.3Å; A5-S7 PolarHBondContact O-N 3.05Å; A5-S7 PolarHBondContact O-OG 3.48Å
6	R	92.4	Very high	84.2	Confident	29 Å²	29	76.4 Å²	76.4	11%	0.109	45%	0.445	C	S	.	.			trans	-71.5	48.3	167.8	-165.6	-175.9	173.6	113.5	-9	110	E4 T15 A16 L50 C51 D55 H185	E4-R6 PolarHBondContact O-N 3.06Å; R6-T15 HydrophobicContact CB-CG2 4.49Å; R6-T15 HydrophobicContact CG-CG2 4.14Å; R6-T15 CarbonylContact O-C 3.52Å; R6-T15 VanDerWaalsContact O-CA 3.32Å; R6-T15 WeakPolarHBondContact O-CA 3.11Å; R6-A16 HydrophobicContact CG-CB 4.49Å; R6-A16 WeakPolarHBondContact CG-O 3.44Å; R6-A16 PolarHBondContact NE-O 2.98Å; R6-A16 PolarHBondContact O-N 2.9Å; R6-L50 HydrophobicContact CG-CD2 3.93Å; R6-L50 PolarHBondContact NH2-O 3.36Å; R6-L50 VanDerWaalsContact NH2-O 3.08Å; R6-C51 PolarHBondContact NH1-O 3.33Å; R6-D55 HydrophobicContact CB-CB 4.35Å; R6-D55 WeakPolarHBondContact CD-OD1 3.48Å; R6-D55 HydrophobicContact CG-CB 4.24Å; R6-D55 IonicContact CZ-OD1 3.29Å; R6-D55 IonicContact NE-OD1 3.85Å; R6-D55 IonicContact NH1-OD1 3.63Å; R6-D55 PolarHBondContact NH1-OD1 3.35Å; R6-H185 VanDerWaalsContact CZ-CE1 3.48Å; R6-H185 PolarHBondContact NH1-CE1 2.95Å
7	S	95.9	Very high	84.9	Confident	29 Å²	29	71.9 Å²	71.9	20%	0.203	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-85.1	149.1	178.3	51.3	0	0	0	0	110.5	A5 A16	A5-S7 PolarHBondContact O-N 3.05Å; A5-S7 PolarHBondContact O-OG 3.48Å; S7-A16 WeakPolarHBondContact O-CB 3.45Å
8	C	97.3	Very high	85.5	Confident	1 Å²	1	68 Å²	68	1%	0.007	40%	0.396	C	S	.	.			trans	-66.2	129.4	169.8	175.9	0	0	0	0	110.3	Y10 C11 G12 S14 K26 C28	C8-Y10 PolarHBondContact O-N 2.78Å; C8-Y10 PolarHBondContact SG-N 2.85Å; C8-C11 VanDerWaalsContact CB-SG 3.56Å; C8-G12 WeakPolarHBondContact O-CA 3.41Å; C8-G12 PolarHBondContact O-N 3.23Å; C8-S14 WeakPolarHBondContact CB-O 3.46Å; C8-S14 PolarHBondContact N-O 3.44Å; C8-K26 WeakPolarHBondContact CA-O 3.35Å; C8-C28 HydrophobicContact CB-CB 4.11Å; C8-C28 PolarHBondContact SG-N 3.23Å; C8-C28 VanDerWaalsContact SG-N 3.42Å
9	D	96.7	Very high	86.1	Confident	86 Å²	86	66.3 Å²	66.3	46%	0.46	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.4	-178.9	-64.9	-20.2	0	0	0	112.8	A25 K26	D9-A25 WeakPolarHBondContact OD2-CA 3.46Å; D9-K26 PolarHBondContact N-O 3.37Å; D9-K26 WeakPolarHBondContact OD1-CE 3.3Å; D9-K26 IonicContact OD1-NZ 3.72Å; D9-K26 PolarHBondContact OD2-N 2.66Å
10	Y	95.8	Very high	86.6	Confident	154 Å²	154	63 Å²	63	60%	0.604	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-56.8	179.9	-169.3	-97.8	0	0	0	112.7	C8 C31 V35	C8-Y10 PolarHBondContact O-N 2.78Å; C8-Y10 PolarHBondContact SG-N 2.85Å; Y10-C31 HydrophobicContact CD1-CB 4Å; Y10-C31 VanDerWaalsContact CD1-SG 3.58Å; Y10-C31 HydrophobicContact CG-CB 4.26Å; Y10-V35 HydrophobicContact CD2-CG2 4.44Å
11	C	96.7	Very high	87	Confident	36 Å²	36	68.6 Å²	68.6	24%	0.243	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-18.7	-177.3	66.9	0	0	0	0	114.5	C8 H13 S14	C8-C11 VanDerWaalsContact CB-SG 3.56Å; C11-H13 PolarHBondContact O-CD2 2.81Å; C11-H13 PolarHBondContact O-N 3.24Å; C11-S14 PolarHBondContact SG-OG 3.4Å
12	G	94.6	Very high	89.8	Confident	50 Å²	50	60 Å²	60	52%	0.515	35%	0.346	S	S	.	.	S	Bend	trans	72.2	-17.9	177.8	0	0	0	0	0	116.4	C8	C8-G12 WeakPolarHBondContact O-CA 3.41Å; C8-G12 PolarHBondContact O-N 3.23Å
13	H	93.7	Very high	92.2	Very high	154 Å²	154	57.7 Å²	57.7	71%	0.713	32%	0.324	S	S	*	.	S	Bend	trans	-109.3	-25.1	-174.3	60.9	74.9	0	0	0	114.9	C11	C11-H13 PolarHBondContact O-CD2 2.81Å; C11-H13 PolarHBondContact O-N 3.24Å
14	S	96.1	Very high	93.9	Very high	27 Å²	27	58.1 Å²	58.1	19%	0.189	32%	0.316	C	S	.	.	S	Bend	trans	-88.4	148.7	178.8	-52.9	0	0	0	0	110.5	C8 C11 A16	C8-S14 WeakPolarHBondContact CB-O 3.46Å; C8-S14 PolarHBondContact N-O 3.44Å; C11-S14 PolarHBondContact SG-OG 3.4Å; S14-A16 PolarHBondContact O-N 3.5Å
15	T	96.2	Very high	95.2	Very high	43 Å²	43	53.2 Å²	53.2	26%	0.264	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-64	128.2	173.8	-56.6	0	0	0	0	110.4	R6 L17 C28 E188 Q192	R6-T15 HydrophobicContact CB-CG2 4.49Å; R6-T15 HydrophobicContact CG-CG2 4.14Å; R6-T15 CarbonylContact O-C 3.52Å; R6-T15 VanDerWaalsContact O-CA 3.32Å; R6-T15 WeakPolarHBondContact O-CA 3.11Å; T15-L17 HydrophobicContact CG2-CD2 4.29Å; T15-C28 WeakPolarHBondContact O-CB 3.39Å; T15-E188 HydrophobicContact CG2-CG 3.98Å; T15-Q192 PolarHBondContact O-NE2 3.39Å
16	A	97	Very high	95.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-72.9	130.8	172.4	0	0	0	0	0	110.6	R6 S7 S14 K26 L50	R6-A16 HydrophobicContact CG-CB 4.49Å; R6-A16 WeakPolarHBondContact CG-O 3.44Å; R6-A16 PolarHBondContact NE-O 2.98Å; R6-A16 PolarHBondContact O-N 2.9Å; S7-A16 WeakPolarHBondContact O-CB 3.45Å; S14-A16 PolarHBondContact O-N 3.5Å; A16-K26 HydrophobicContact CB-CB 3.65Å; A16-L50 HydrophobicContact CB-CD2 4.28Å
17	L	95.7	Very high	96.1	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.274	C	S	.	.			trans	-119.9	-24.1	179.2	-64.9	172.4	0	0	0	112.1	T15 L27 F29 L49 L50 H185 E188 I189 Q192	T15-L17 HydrophobicContact CG2-CD2 4.29Å; L17-L27 PolarHBondContact N-O 3.45Å; L17-F29 HydrophobicContact CB-CD2 4.47Å; L17-F29 HydrophobicContact CB-CE2 4.07Å; L17-F29 HydrophobicContact CD1-CD2 3.71Å; L17-F29 HydrophobicContact CD1-CE2 3.5Å; L17-F29 VanDerWaalsContact CD1-CE2 3.5Å; L17-F29 HydrophobicContact CG-CE2 4.46Å; L17-L49 WeakPolarHBondContact O-CA 3.3Å; L17-L50 PolarHBondContact O-N 2.95Å; L17-H185 HydrophobicContact CD2-CB 3.8Å; L17-E188 HydrophobicContact CD1-CG 4.17Å; L17-E188 HydrophobicContact CD2-CB 4.44Å; L17-E188 HydrophobicContact CD2-CG 4.09Å; L17-E188 HydrophobicContact CG-CG 4.44Å; L17-I189 HydrophobicContact CD1-CB 4.22Å; L17-I189 HydrophobicContact CD1-CG1 3.7Å; L17-I189 HydrophobicContact CD2-CG1 3.94Å; L17-I189 HydrophobicContact CG-CG1 4.31Å; L17-Q192 VanDerWaalsContact CD1-CD 3.5Å; L17-Q192 HydrophobicContact CD1-CG 4.29Å
18	L	96.2	Very high	96.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.9	-178.5	-62	176.1	0	0	0	111.1	K26 L27 F29 D32 T48 L49 F96	L18-K26 CarbonylContact O-C 3.53Å; L18-K26 WeakPolarHBondContact O-CA 2.83Å; L18-L27 PolarHBondContact N-O 3.35Å; L18-L27 PolarHBondContact O-N 2.87Å; L18-F29 HydrophobicContact CD1-CD1 3.65Å; L18-F29 HydrophobicContact CD1-CE1 3.75Å; L18-F29 HydrophobicContact CD1-CG 4.47Å; L18-F29 HydrophobicContact CD2-CE1 4.02Å; L18-F29 HydrophobicContact CD2-CZ 4.35Å; L18-F29 HydrophobicContact CG-CD1 4.26Å; L18-F29 HydrophobicContact CG-CE1 4.01Å; L18-F29 HydrophobicContact CG-CZ 4.45Å; L18-D32 HydrophobicContact CD1-CB 3.8Å; L18-T48 CarbonylContact C-O 3.29Å; L18-T48 VanDerWaalsContact CA-O 3.31Å; L18-T48 WeakPolarHBondContact CA-O 3.34Å; L18-L49 HydrophobicContact CD2-CD2 4.18Å; L18-F96 HydrophobicContact CD1-CZ 3.92Å; L18-F96 HydrophobicContact CD2-CE1 3.85Å; L18-F96 HydrophobicContact CD2-CZ 4.02Å
19	Y	97.1	Very high	96.1	Very high	35 Å²	35	48.9 Å²	48.9	14%	0.137	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.6	169.6	-174.9	-91.7	0	0	0	109.3	R21 A25 K26 R47 T48 L50 H56 P58	Y19-R21 HydrophobicContact CE1-CB 4.5Å; Y19-A25 WeakPolarHBondContact CA-O 3.33Å; Y19-K26 HydrophobicContact CD2-CG 4.41Å; Y19-R47 VanDerWaalsContact O-CA 3.31Å; Y19-R47 WeakPolarHBondContact O-CA 3.44Å; Y19-T48 PolarHBondContact N-O 3.07Å; Y19-T48 PolarHBondContact O-N 2.82Å; Y19-T48 VanDerWaalsContact O-N 3.13Å; Y19-L50 HydrophobicContact CD2-CD1 3.84Å; Y19-L50 HydrophobicContact CG-CD1 4.31Å; Y19-H56 WeakPolarHBondContact CE2-O 3.5Å; Y19-P58 HydrophobicContact CD1-CB 3.76Å; Y19-P58 HydrophobicContact CD1-CG 4.02Å; Y19-P58 HydrophobicContact CE1-CB 4.38Å; Y19-P58 HydrophobicContact CE1-CG 4.13Å; Y19-P58 HydrophobicContact CG-CB 4.28Å
20	C	96.8	Very high	96.1	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.9	171.1	178.3	0	0	0	0	109.7	A22 D23 S24 A25 L27 H36 R47	C20-A22 PolarHBondContact O-N 3.4Å; C20-D23 HydrophobicContact CB-CB 4.39Å; C20-D23 PolarHBondContact SG-OD2 2.64Å; C20-S24 VanDerWaalsContact O-CA 3.29Å; C20-S24 WeakPolarHBondContact O-CA 3.19Å; C20-S24 PolarHBondContact O-N 3.37Å; C20-A25 PolarHBondContact N-O 3.38Å; C20-A25 PolarHBondContact O-N 3.27Å; C20-L27 HydrophobicContact CB-CD1 4.3Å; C20-H36 PolarHBondContact SG-NE2 2.77Å; C20-R47 HydrophobicContact CB-CG 4.31Å
21	R	95.2	Very high	96.1	Very high	180 Å²	180	39.3 Å²	39.3	68%	0.679	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.1	-177.7	-173.1	-179.4	174.6	101.8	2	113.2	Y19 T46	Y19-R21 HydrophobicContact CE1-CB 4.5Å; R21-T46 WeakPolarHBondContact CB-O 3.42Å; R21-T46 PolarHBondContact N-O 2.96Å
22	A	95.7	Very high	96.2	Very high	59 Å²	59	37.9 Å²	37.9	49%	0.488	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-41.7	-177.3	0	0	0	0	0	111.7	C20 H45	C20-A22 PolarHBondContact O-N 3.4Å; A22-H45 HydrophobicContact CB-CB 3.91Å; A22-H45 VanDerWaalsContact CB-CD2 3.43Å; A22-H45 WeakPolarHBondContact CB-CD2 3.41Å
23	D	95.3	Very high	96.2	Very high	75 Å²	75	40.2 Å²	40.2	40%	0.401	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.7	-179	-56.1	-44.7	0	0	0	112.8	C20 A25 H36 H45	C20-D23 HydrophobicContact CB-CB 4.39Å; C20-D23 PolarHBondContact SG-OD2 2.64Å; D23-A25 HydrophobicContact CB-CB 4.06Å; D23-A25 PolarHBondContact O-N 2.94Å; D23-H36 IonicContact OD2-NE2 3.47Å; D23-H45 IonicContact OD1-CE1 2.62Å; D23-H45 PolarHBondContact OD1-CE1 3.06Å; D23-H45 IonicContact OD1-ND1 3.51Å; D23-H45 IonicContact OD2-CE1 2.75Å; D23-H45 PolarHBondContact OD2-CE1 2.8Å; D23-H45 VanDerWaalsContact OD2-CE1 3.26Å; D23-H45 IonicContact OD2-ND1 3.24Å; D23-H45 PolarHBondContact OD2-ND1 3.15Å
24	S	95.8	Very high	96.2	Very high	80 Å²	80	37.7 Å²	37.7	56%	0.559	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	39	-173	-55.6	0	0	0	0	112.6	C20	C20-S24 VanDerWaalsContact O-CA 3.29Å; C20-S24 WeakPolarHBondContact O-CA 3.19Å; C20-S24 PolarHBondContact O-N 3.37Å
25	A	96.3	Very high	96.1	Very high	19 Å²	19	38 Å²	38	16%	0.157	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.8	-169.9	0	0	0	0	0	112.4	D9 Y19 C20 D23 L27	D9-A25 WeakPolarHBondContact OD2-CA 3.46Å; Y19-A25 WeakPolarHBondContact CA-O 3.33Å; C20-A25 PolarHBondContact N-O 3.38Å; C20-A25 PolarHBondContact O-N 3.27Å; D23-A25 HydrophobicContact CB-CB 4.06Å; D23-A25 PolarHBondContact O-N 2.94Å; A25-L27 HydrophobicContact CB-CD2 4.48Å
26	K	97.1	Very high	96.1	Very high	18 Å²	18	36.1 Å²	36.1	8%	0.078	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120	175.2	-56.6	178.2	-68	171.9	0	109.6	C8 D9 A16 L18 Y19 L50 D55	C8-K26 WeakPolarHBondContact CA-O 3.35Å; D9-K26 PolarHBondContact N-O 3.37Å; D9-K26 WeakPolarHBondContact OD1-CE 3.3Å; D9-K26 IonicContact OD1-NZ 3.72Å; D9-K26 PolarHBondContact OD2-N 2.66Å; A16-K26 HydrophobicContact CB-CB 3.65Å; L18-K26 CarbonylContact O-C 3.53Å; L18-K26 WeakPolarHBondContact O-CA 2.83Å; Y19-K26 HydrophobicContact CD2-CG 4.41Å; K26-L50 HydrophobicContact CD-CD1 4.45Å; K26-L50 HydrophobicContact CD-CD2 4.21Å; K26-L50 HydrophobicContact CG-CD1 4.12Å; K26-L50 HydrophobicContact CG-CD2 4.38Å; K26-D55 VanDerWaalsContact CD-O 3.31Å; K26-D55 WeakPolarHBondContact CD-O 3.44Å
27	L	97.3	Very high	95.9	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.8	-172.5	-58.7	175	0	0	0	111.9	L17 L18 C20 A25 C31 D32	L17-L27 PolarHBondContact N-O 3.45Å; L18-L27 PolarHBondContact N-O 3.35Å; L18-L27 PolarHBondContact O-N 2.87Å; C20-L27 HydrophobicContact CB-CD1 4.3Å; A25-L27 HydrophobicContact CB-CD2 4.48Å; L27-C31 HydrophobicContact CD2-CB 4.42Å; L27-D32 HydrophobicContact CB-CB 4.32Å
28	C	97.2	Very high	95.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.007	24%	0.242	C	C	.	.			trans	-79	164.2	159.9	72.6	0	0	0	0	109.4	C8 T15 S30 C31 D32 Q192	C8-C28 HydrophobicContact CB-CB 4.11Å; C8-C28 PolarHBondContact SG-N 3.23Å; C8-C28 VanDerWaalsContact SG-N 3.42Å; T15-C28 WeakPolarHBondContact O-CB 3.39Å; C28-S30 VanDerWaalsContact C-N 3.29Å; C28-S30 PolarHBondContact O-N 3.15Å; C28-C31 PolarHBondContact O-N 3.09Å; C28-C31 PolarHBondContact SG-N 3.24Å; C28-C31 PolarHBondContact SG-SG 3.03Å; C28-D32 WeakPolarHBondContact O-CB 3.33Å; C28-D32 PolarHBondContact O-N 2.91Å; C28-Q192 VanDerWaalsContact CB-OE1 3.3Å
29	F	96.3	Very high	95.4	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-33.2	-176.2	-74.1	-76	0	0	0	113.4	L17 L18 D32 R33 L105 V109 I189 Q192 L193 L196	L17-F29 HydrophobicContact CB-CD2 4.47Å; L17-F29 HydrophobicContact CB-CE2 4.07Å; L17-F29 HydrophobicContact CD1-CD2 3.71Å; L17-F29 HydrophobicContact CD1-CE2 3.5Å; L17-F29 VanDerWaalsContact CD1-CE2 3.5Å; L17-F29 HydrophobicContact CG-CE2 4.46Å; L18-F29 HydrophobicContact CD1-CD1 3.65Å; L18-F29 HydrophobicContact CD1-CE1 3.75Å; L18-F29 HydrophobicContact CD1-CG 4.47Å; L18-F29 HydrophobicContact CD2-CE1 4.02Å; L18-F29 HydrophobicContact CD2-CZ 4.35Å; L18-F29 HydrophobicContact CG-CD1 4.26Å; L18-F29 HydrophobicContact CG-CE1 4.01Å; L18-F29 HydrophobicContact CG-CZ 4.45Å; F29-D32 PolarHBondContact O-N 3.47Å; F29-R33 PolarHBondContact O-N 3.09Å; F29-R33 VanDerWaalsContact O-N 3.12Å; F29-L105 HydrophobicContact CD1-CD1 4.01Å; F29-L105 HydrophobicContact CD1-CD2 4.27Å; F29-L105 HydrophobicContact CE1-CD1 4.39Å; F29-L105 HydrophobicContact CE1-CD2 3.99Å; F29-V109 HydrophobicContact CZ-CG2 4.04Å; F29-I189 HydrophobicContact CE2-CB 4.26Å; F29-I189 HydrophobicContact CE2-CG1 4.28Å; F29-I189 HydrophobicContact CE2-CG2 3.66Å; F29-I189 HydrophobicContact CZ-CG2 3.97Å; F29-Q192 HydrophobicContact CB-CB 4.43Å; F29-Q192 HydrophobicContact CD2-CB 3.9Å; F29-L193 HydrophobicContact CD1-CD2 3.99Å; F29-L193 HydrophobicContact CD2-CD2 4.11Å; F29-L193 HydrophobicContact CD2-CG 4.28Å; F29-L193 HydrophobicContact CE1-CD2 4.14Å; F29-L193 HydrophobicContact CE2-CD2 4.25Å; F29-L193 HydrophobicContact CE2-CG 4.21Å; F29-L193 HydrophobicContact CG-CD2 3.99Å; F29-L193 HydrophobicContact CZ-CD2 4.27Å; F29-L196 HydrophobicContact CB-CD1 3.44Å; F29-L196 VanDerWaalsContact CB-CD1 3.44Å; F29-L196 HydrophobicContact CB-CG 4.31Å; F29-L196 HydrophobicContact CG-CD1 4.44Å
30	S	96.2	Very high	95.1	Very high	33 Å²	33	54.5 Å²	54.5	23%	0.231	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-52	177.1	-54.6	0	0	0	0	112	C28 D32 R33 E34	C28-S30 VanDerWaalsContact C-N 3.29Å; C28-S30 PolarHBondContact O-N 3.15Å; S30-D32 VanDerWaalsContact C-N 3.29Å; S30-D32 PolarHBondContact O-N 3.48Å; S30-R33 PolarHBondContact O-N 3.09Å; S30-E34 PolarHBondContact O-N 2.99Å
31	C	96.8	Very high	95	Very high	6 Å²	6	59.5 Å²	59.5	4%	0.041	32%	0.318	C	S	.	.	H	α-helix	trans	-66.6	-32.6	177.2	-60.9	0	0	0	0	112.1	Y10 L27 C28 R33 E34 V35	Y10-C31 HydrophobicContact CD1-CB 4Å; Y10-C31 VanDerWaalsContact CD1-SG 3.58Å; Y10-C31 HydrophobicContact CG-CB 4.26Å; L27-C31 HydrophobicContact CD2-CB 4.42Å; C28-C31 PolarHBondContact O-N 3.09Å; C28-C31 PolarHBondContact SG-N 3.24Å; C28-C31 PolarHBondContact SG-SG 3.03Å; C31-R33 VanDerWaalsContact C-N 3.34Å; C31-R33 PolarHBondContact O-N 2.68Å; C31-E34 PolarHBondContact O-N 3.2Å; C31-V35 WeakPolarHBondContact O-CB 3.38Å; C31-V35 VanDerWaalsContact O-CG2 3.31Å; C31-V35 WeakPolarHBondContact O-CG2 3.22Å; C31-V35 PolarHBondContact O-N 2.93Å
32	D	96.8	Very high	94.9	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.032	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-47	173.9	-174.1	59.5	0	0	0	112.1	L18 L27 C28 F29 S30 E34 H36 R47	L18-D32 HydrophobicContact CD1-CB 3.8Å; L27-D32 HydrophobicContact CB-CB 4.32Å; C28-D32 WeakPolarHBondContact O-CB 3.33Å; C28-D32 PolarHBondContact O-N 2.91Å; F29-D32 PolarHBondContact O-N 3.47Å; S30-D32 VanDerWaalsContact C-N 3.29Å; S30-D32 PolarHBondContact O-N 3.48Å; D32-E34 PolarHBondContact O-N 3.11Å; D32-H36 WeakPolarHBondContact O-CB 3.49Å; D32-H36 PolarHBondContact O-N 3.15Å; D32-H36 PolarHBondContact O-ND1 3.23Å; D32-H36 IonicContact OD1-CE1 3.86Å; D32-H36 PolarHBondContact OD1-CE1 3.46Å; D32-H36 IonicContact OD1-CG 2.91Å; D32-H36 IonicContact OD1-ND1 3.49Å; D32-H36 PolarHBondContact OD1-ND1 3.3Å; D32-R47 WeakPolarHBondContact OD1-CD 3.08Å; D32-R47 IonicContact OD1-NE 3.64Å; D32-R47 IonicContact OD2-NE 2.68Å; D32-R47 PolarHBondContact OD2-NE 3.39Å
33	R	94.9	Very high	94.8	Very high	99 Å²	99	52.8 Å²	52.8	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-44.7	177	-173.9	179.3	-178.4	-173.8	2.2	111.1	F29 S30 C31 S37	F29-R33 PolarHBondContact O-N 3.09Å; F29-R33 VanDerWaalsContact O-N 3.12Å; S30-R33 PolarHBondContact O-N 3.09Å; C31-R33 VanDerWaalsContact C-N 3.34Å; C31-R33 PolarHBondContact O-N 2.68Å; R33-S37 WeakPolarHBondContact O-CB 3.04Å; R33-S37 PolarHBondContact O-N 3.24Å; R33-S37 PolarHBondContact O-OG 2.9Å
34	E	94.4	Very high	94.8	Very high	101 Å²	101	56.6 Å²	56.6	47%	0.472	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-50.5	179.7	-69.8	174.6	-179.7	0	0	111.9	S30 C31 D32 T38	S30-E34 PolarHBondContact O-N 2.99Å; C31-E34 PolarHBondContact O-N 3.2Å; D32-E34 PolarHBondContact O-N 3.11Å; E34-T38 PolarHBondContact O-N 3.41Å; E34-T38 PolarHBondContact O-OG1 3.3Å
35	V	94.6	Very high	94.8	Very high	34 Å²	34	54 Å²	54	21%	0.206	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-47.3	-178	172.6	0	0	0	0	111.1	Y10 C31 F42	Y10-V35 HydrophobicContact CD2-CG2 4.44Å; C31-V35 WeakPolarHBondContact O-CB 3.38Å; C31-V35 VanDerWaalsContact O-CG2 3.31Å; C31-V35 WeakPolarHBondContact O-CG2 3.22Å; C31-V35 PolarHBondContact O-N 2.93Å; V35-F42 WeakPolarHBondContact O-CD2 3.44Å
36	H	95.6	Very high	94.8	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.014	29%	0.29	C	S	.	.	H	α-helix	trans	-88.2	-15.6	-170.7	-62	102.2	0	0	0	114.8	C20 D23 D32 F42 H45 R47 C99	C20-H36 PolarHBondContact SG-NE2 2.77Å; D23-H36 IonicContact OD2-NE2 3.47Å; D32-H36 WeakPolarHBondContact O-CB 3.49Å; D32-H36 PolarHBondContact O-N 3.15Å; D32-H36 PolarHBondContact O-ND1 3.23Å; D32-H36 IonicContact OD1-CE1 3.86Å; D32-H36 PolarHBondContact OD1-CE1 3.46Å; D32-H36 IonicContact OD1-CG 2.91Å; D32-H36 IonicContact OD1-ND1 3.49Å; D32-H36 PolarHBondContact OD1-ND1 3.3Å; H36-F42 PolarHBondContact CD2-O 2.62Å; H36-H45 AromaticContact CD2-ND1 3.94Å; H36-H45 AromaticContact NE2-CG 3.99Å; H36-H45 AromaticContact NE2-ND1 3.64Å; H36-R47 PolarHBondContact CD2-NH1 3.1Å; H36-R47 VanDerWaalsContact CE1-CD 3.48Å; H36-R47 WeakPolarHBondContact CE1-CD 3.34Å; H36-C99 PolarHBondContact O-SG 3.31Å
37	S	93	Very high	94.8	Very high	68 Å²	68	55.3 Å²	55.3	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-83.4	-22.6	172.1	66.6	0	0	0	0	113.9	R33 N39	R33-S37 WeakPolarHBondContact O-CB 3.04Å; R33-S37 PolarHBondContact O-N 3.24Å; R33-S37 PolarHBondContact O-OG 2.9Å; S37-N39 PolarHBondContact O-N 3.47Å
38	T	90.5	Very high	94.7	Very high	111 Å²	111	56 Å²	56	68%	0.681	29%	0.29	S	S	*	.	S	Bend	trans	-67.3	-31.8	-173.8	-64.3	0	0	0	0	113.4	E34	E34-T38 PolarHBondContact O-N 3.41Å; E34-T38 PolarHBondContact O-OG1 3.3Å
39	N	90.2	Very high	94.6	Very high	76 Å²	76	57 Å²	57	41%	0.406	30%	0.296	S	S	.	.			trans	-142.1	137.1	179.6	-168.7	-31.1	0	0	0	111.2	S37 L41 F42 S43	S37-N39 PolarHBondContact O-N 3.47Å; N39-L41 PolarHBondContact O-N 2.77Å; N39-L41 VanDerWaalsContact O-N 3.11Å; N39-L41 PolarHBondContact OD1-N 2.89Å; N39-F42 HydrophobicContact CB-CD2 3.51Å; N39-F42 HydrophobicContact CB-CE2 3.77Å; N39-F42 HydrophobicContact CB-CG 4.1Å; N39-F42 PolarHBondContact O-N 3.31Å; N39-S43 PolarHBondContact O-N 2.77Å
40	Q	91.7	Very high	94.5	Very high	167 Å²	167	57 Å²	57	78%	0.78	30%	0.296	S	S	*	.	H	α-helix	trans	-55.4	-29	174.4	-64.8	-176.2	9.5	0	0	112.9	S43	Q40-S43 PolarHBondContact O-OG 3.4Å
41	L	93.6	Very high	94.5	Very high	107 Å²	107	55.4 Å²	55.4	56%	0.56	29%	0.285	S	S	*	.	H	α-helix	trans	-64.5	-45.6	174.9	-174.8	67.5	0	0	0	111.6	N39 S43 K44	N39-L41 PolarHBondContact O-N 2.77Å; N39-L41 VanDerWaalsContact O-N 3.11Å; N39-L41 PolarHBondContact OD1-N 2.89Å; L41-S43 VanDerWaalsContact C-N 3.31Å; L41-S43 PolarHBondContact O-N 3.23Å; L41-K44 WeakPolarHBondContact O-CB 3.35Å; L41-K44 PolarHBondContact O-N 3.03Å; L41-K44 VanDerWaalsContact O-N 3.15Å
42	F	94.5	Very high	94.4	Very high	68 Å²	68	56.1 Å²	56.1	30%	0.298	29%	0.288	S	S	.	.	H	α-helix	trans	-66.7	-35.3	-179.2	-56.7	-34.2	0	0	0	110.9	V35 H36 N39 K44 H45	V35-F42 WeakPolarHBondContact O-CD2 3.44Å; H36-F42 PolarHBondContact CD2-O 2.62Å; N39-F42 HydrophobicContact CB-CD2 3.51Å; N39-F42 HydrophobicContact CB-CE2 3.77Å; N39-F42 HydrophobicContact CB-CG 4.1Å; N39-F42 PolarHBondContact O-N 3.31Å; F42-K44 PolarHBondContact O-N 3.14Å; F42-H45 AromaticContact CD1-CE1 3.57Å; F42-H45 AromaticContact CD1-NE2 3.88Å; F42-H45 VanDerWaalsContact O-CB 3.22Å; F42-H45 WeakPolarHBondContact O-CB 3.31Å; F42-H45 PolarHBondContact O-N 3.39Å
43	S	93.3	Very high	94.2	Very high	30 Å²	30	58.1 Å²	58.1	21%	0.21	31%	0.305	C	S	.	.	H	α-helix	trans	-54.4	-22.8	174.4	79	0	0	0	0	113.9	N39 Q40 L41 H45 G98	N39-S43 PolarHBondContact O-N 2.77Å; Q40-S43 PolarHBondContact O-OG 3.4Å; L41-S43 VanDerWaalsContact C-N 3.31Å; L41-S43 PolarHBondContact O-N 3.23Å; S43-H45 VanDerWaalsContact C-N 3.3Å; S43-H45 PolarHBondContact O-N 3.27Å; S43-G98 WeakPolarHBondContact O-CA 3.47Å; S43-G98 PolarHBondContact O-N 2.75Å
44	K	94.9	Very high	94.2	Very high	154 Å²	154	55.1 Å²	55.1	67%	0.67	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.5	176.8	-61	-177.8	-179.8	178.5	0	114.2	L41 F42 T46	L41-K44 WeakPolarHBondContact O-CB 3.35Å; L41-K44 PolarHBondContact O-N 3.03Å; L41-K44 VanDerWaalsContact O-N 3.15Å; F42-K44 PolarHBondContact O-N 3.14Å; K44-T46 PolarHBondContact O-N 2.97Å
45	H	96.9	Very high	94.2	Very high	25 Å²	25	52.4 Å²	52.4	12%	0.116	29%	0.288	C	S	.	.			trans	-66.8	128.1	178.7	-64.7	-174.1	0	0	0	109.8	A22 D23 H36 F42 S43 R47	A22-H45 HydrophobicContact CB-CB 3.91Å; A22-H45 VanDerWaalsContact CB-CD2 3.43Å; A22-H45 WeakPolarHBondContact CB-CD2 3.41Å; D23-H45 IonicContact OD1-CE1 2.62Å; D23-H45 PolarHBondContact OD1-CE1 3.06Å; D23-H45 IonicContact OD1-ND1 3.51Å; D23-H45 IonicContact OD2-CE1 2.75Å; D23-H45 PolarHBondContact OD2-CE1 2.8Å; D23-H45 VanDerWaalsContact OD2-CE1 3.26Å; D23-H45 IonicContact OD2-ND1 3.24Å; D23-H45 PolarHBondContact OD2-ND1 3.15Å; H36-H45 AromaticContact CD2-ND1 3.94Å; H36-H45 AromaticContact NE2-CG 3.99Å; H36-H45 AromaticContact NE2-ND1 3.64Å; F42-H45 AromaticContact CD1-CE1 3.57Å; F42-H45 AromaticContact CD1-NE2 3.88Å; F42-H45 VanDerWaalsContact O-CB 3.22Å; F42-H45 WeakPolarHBondContact O-CB 3.31Å; F42-H45 PolarHBondContact O-N 3.39Å; S43-H45 VanDerWaalsContact C-N 3.3Å; S43-H45 PolarHBondContact O-N 3.27Å; H45-R47 PolarHBondContact O-NH1 3.42Å
46	T	95.8	Very high	94.1	Very high	65 Å²	65	55.8 Å²	55.8	40%	0.399	30%	0.301	S	S	.	.			trans	-76.7	128.1	173.4	-50.5	0	0	0	0	109.7	R21 K44	R21-T46 WeakPolarHBondContact CB-O 3.42Å; R21-T46 PolarHBondContact N-O 2.96Å; K44-T46 PolarHBondContact O-N 2.97Å
47	R	95.8	Very high	94.1	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.8	179.8	-61	175.2	-68	-86.6	-5.7	110.8	Y19 C20 D32 H36 H45 G95 F96 G98	Y19-R47 VanDerWaalsContact O-CA 3.31Å; Y19-R47 WeakPolarHBondContact O-CA 3.44Å; C20-R47 HydrophobicContact CB-CG 4.31Å; D32-R47 WeakPolarHBondContact OD1-CD 3.08Å; D32-R47 IonicContact OD1-NE 3.64Å; D32-R47 IonicContact OD2-NE 2.68Å; D32-R47 PolarHBondContact OD2-NE 3.39Å; H36-R47 PolarHBondContact CD2-NH1 3.1Å; H36-R47 VanDerWaalsContact CE1-CD 3.48Å; H36-R47 WeakPolarHBondContact CE1-CD 3.34Å; H45-R47 PolarHBondContact O-NH1 3.42Å; R47-G95 CarbonylContact O-C 3.57Å; R47-G95 WeakPolarHBondContact O-CA 3.42Å; R47-F96 HydrophobicContact CB-CE1 4.13Å; R47-F96 HydrophobicContact CB-CE2 4.36Å; R47-F96 HydrophobicContact CB-CZ 4.04Å; R47-F96 PolarHBondContact N-O 3.38Å; R47-F96 VanDerWaalsContact NE-CE2 3.29Å; R47-F96 WeakPolarHBondContact O-CD1 2.83Å; R47-F96 PolarHBondContact O-N 2.95Å; R47-G98 PolarHBondContact NH2-O 2.95Å
48	T	94.9	Very high	94.2	Very high	20 Å²	20	55 Å²	55	12%	0.123	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	166.7	178.1	56.3	0	0	0	0	109.6	L18 Y19 P58 G95	L18-T48 CarbonylContact C-O 3.29Å; L18-T48 VanDerWaalsContact CA-O 3.31Å; L18-T48 WeakPolarHBondContact CA-O 3.34Å; Y19-T48 PolarHBondContact N-O 3.07Å; Y19-T48 PolarHBondContact O-N 2.82Å; Y19-T48 VanDerWaalsContact O-N 3.13Å; T48-P58 WeakPolarHBondContact OG1-CB 3.4Å; T48-G95 VanDerWaalsContact CG2-CA 3.47Å
49	L	95.3	Very high	94.5	Very high	23 Å²	23	49.8 Å²	49.8	12%	0.12	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	149.9	164.5	-66	172.8	0	0	0	110.3	L17 L18 A59 V69 V109	L17-L49 WeakPolarHBondContact O-CA 3.3Å; L18-L49 HydrophobicContact CD2-CD2 4.18Å; L49-A59 HydrophobicContact CB-CB 4.29Å; L49-A59 VanDerWaalsContact O-CB 3.28Å; L49-A59 WeakPolarHBondContact O-CB 3.31Å; L49-A59 PolarHBondContact O-N 2.67Å; L49-V69 HydrophobicContact CB-CG2 4.1Å; L49-V69 HydrophobicContact CD1-CG1 3.98Å; L49-V69 HydrophobicContact CD1-CG2 4.35Å; L49-V109 HydrophobicContact CD2-CG2 4.47Å
50	L	95.6	Very high	94.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-84.3	134.8	174.5	-172.5	76	0	0	0	109.6	R6 A16 L17 Y19 K26 D52 D55	R6-L50 HydrophobicContact CG-CD2 3.93Å; R6-L50 PolarHBondContact NH2-O 3.36Å; R6-L50 VanDerWaalsContact NH2-O 3.08Å; A16-L50 HydrophobicContact CB-CD2 4.28Å; L17-L50 PolarHBondContact O-N 2.95Å; Y19-L50 HydrophobicContact CD2-CD1 3.84Å; Y19-L50 HydrophobicContact CG-CD1 4.31Å; K26-L50 HydrophobicContact CD-CD1 4.45Å; K26-L50 HydrophobicContact CD-CD2 4.21Å; K26-L50 HydrophobicContact CG-CD1 4.12Å; K26-L50 HydrophobicContact CG-CD2 4.38Å; L50-D52 PolarHBondContact O-N 3.17Å; L50-D55 HydrophobicContact CD2-CB 4.5Å; L50-D55 WeakPolarHBondContact CD2-O 3.27Å
51	C	95.5	Very high	94.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-52	129.1	-179.6	178.2	0	0	0	0	111.8	R6 A53 C54 D55 S57 C71	R6-C51 PolarHBondContact NH1-O 3.33Å; C51-A53 PolarHBondContact O-N 3.5Å; C51-C54 VanDerWaalsContact CB-SG 3.6Å; C51-D55 PolarHBondContact O-N 2.86Å; C51-D55 VanDerWaalsContact O-N 3.14Å; C51-S57 VanDerWaalsContact CB-O 3.28Å; C51-S57 WeakPolarHBondContact CB-O 3.39Å; C51-S57 PolarHBondContact N-O 2.96Å; C51-C71 HydrophobicContact CB-CB 4.02Å; C51-C71 PolarHBondContact SG-N 3.19Å
52	D	94.3	Very high	94.6	Very high	22 Å²	22	37 Å²	37	12%	0.118	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.6	-179.1	-70.3	-28.2	0	0	0	113.3	L50 S68 V69 G183 Q184 H185	L50-D52 PolarHBondContact O-N 3.17Å; D52-S68 WeakPolarHBondContact OD2-CA 3.18Å; D52-V69 PolarHBondContact N-O 3.24Å; D52-V69 WeakPolarHBondContact OD2-CG2 3.49Å; D52-V69 PolarHBondContact OD2-N 3.21Å; D52-G183 VanDerWaalsContact OD2-CA 3.29Å; D52-G183 WeakPolarHBondContact OD2-CA 3.47Å; D52-Q184 HydrophobicContact CB-CB 4.34Å; D52-Q184 HydrophobicContact CB-CG 4.25Å; D52-Q184 PolarHBondContact OD2-N 2.63Å; D52-H185 IonicContact OD1-CE1 2.77Å; D52-H185 PolarHBondContact OD1-CE1 2.95Å; D52-H185 IonicContact OD1-CG 3.11Å; D52-H185 IonicContact OD1-ND1 3.95Å; D52-H185 PolarHBondContact OD1-ND1 2.93Å
53	A	93.5	Very high	94.4	Very high	47 Å²	47	33.8 Å²	33.8	39%	0.388	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-33.2	-174.7	0	0	0	0	0	113.9	C51 L70 C74	C51-A53 PolarHBondContact O-N 3.5Å; A53-L70 HydrophobicContact CB-CD2 3.9Å; A53-C74 HydrophobicContact CB-CB 3.89Å
54	C	94.7	Very high	94	Very high	37 Å²	37	34.1 Å²	34.1	25%	0.25	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-8.7	-174.5	70.1	0	0	0	0	114.7	C51 H56 S57	C51-C54 VanDerWaalsContact CB-SG 3.6Å; C54-H56 PolarHBondContact O-CD2 3.32Å; C54-H56 PolarHBondContact O-N 3.33Å; C54-S57 PolarHBondContact SG-OG 3.35Å
55	D	94.1	Very high	93.6	Very high	44 Å²	44	30.2 Å²	30.2	24%	0.235	18%	0.18	C	C	.	.	S	Bend	trans	53.8	15.9	175.9	-57	-41.9	0	0	0	116.5	R6 K26 L50 C51	R6-D55 HydrophobicContact CB-CB 4.35Å; R6-D55 WeakPolarHBondContact CD-OD1 3.48Å; R6-D55 HydrophobicContact CG-CB 4.24Å; R6-D55 IonicContact CZ-OD1 3.29Å; R6-D55 IonicContact NE-OD1 3.85Å; R6-D55 IonicContact NH1-OD1 3.63Å; R6-D55 PolarHBondContact NH1-OD1 3.35Å; K26-D55 VanDerWaalsContact CD-O 3.31Å; K26-D55 WeakPolarHBondContact CD-O 3.44Å; L50-D55 HydrophobicContact CD2-CB 4.5Å; L50-D55 WeakPolarHBondContact CD2-O 3.27Å; C51-D55 PolarHBondContact O-N 2.86Å; C51-D55 VanDerWaalsContact O-N 3.14Å
56	H	93.3	Very high	93.2	Very high	105 Å²	105	31.9 Å²	31.9	49%	0.486	19%	0.19	S	C	.	.	S	Bend	trans	-128.7	-22.8	-175	-69.3	-56.9	0	0	0	114.3	Y19 C54	Y19-H56 WeakPolarHBondContact CE2-O 3.5Å; C54-H56 PolarHBondContact O-CD2 3.32Å; C54-H56 PolarHBondContact O-N 3.33Å
57	S	95.1	Very high	92.9	Very high	28 Å²	28	32.3 Å²	32.3	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	-119.8	152.5	-170.6	61	0	0	0	0	112.4	C51 C54 A59 C71	C51-S57 VanDerWaalsContact CB-O 3.28Å; C51-S57 WeakPolarHBondContact CB-O 3.39Å; C51-S57 PolarHBondContact N-O 2.96Å; C54-S57 PolarHBondContact SG-OG 3.35Å; S57-A59 PolarHBondContact O-N 2.61Å; S57-C71 WeakPolarHBondContact OG-CB 3.5Å; S57-C71 PolarHBondContact OG-SG 3.16Å
58	P	95.8	Very high	92.8	Very high	27 Å²	27	32.4 Å²	32.4	18%	0.175	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-64.7	132.2	177.6	25.8	-33.9	0	0	0	110.6	Y19 T48 C71	Y19-P58 HydrophobicContact CD1-CB 3.76Å; Y19-P58 HydrophobicContact CD1-CG 4.02Å; Y19-P58 HydrophobicContact CE1-CB 4.38Å; Y19-P58 HydrophobicContact CE1-CG 4.13Å; Y19-P58 HydrophobicContact CG-CB 4.28Å; T48-P58 WeakPolarHBondContact OG1-CB 3.4Å; P58-C71 WeakPolarHBondContact O-CA 3.47Å; P58-C71 VanDerWaalsContact O-CB 3.27Å; P58-C71 WeakPolarHBondContact O-CB 3.22Å
59	A	94.9	Very high	92.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.008	19%	0.188	C	C	.	.			trans	-71.1	130.2	171.2	0	0	0	0	0	110.1	L49 S57 V69 L70 L93	L49-A59 HydrophobicContact CB-CB 4.29Å; L49-A59 VanDerWaalsContact O-CB 3.28Å; L49-A59 WeakPolarHBondContact O-CB 3.31Å; L49-A59 PolarHBondContact O-N 2.67Å; S57-A59 PolarHBondContact O-N 2.61Å; A59-V69 HydrophobicContact CB-CB 3.78Å; A59-V69 HydrophobicContact CB-CG2 3.98Å; A59-L70 WeakPolarHBondContact CA-O 3.35Å; A59-L93 HydrophobicContact CB-CD1 4.31Å
60	T	93.1	Very high	92.7	Very high	55 Å²	55	30.5 Å²	30.5	34%	0.337	18%	0.183	S	C	.	.			trans	-122.4	-14.7	-179.5	53.5	0	0	0	0	112.1	L70 Q72 P92 L93	T60-L70 PolarHBondContact N-O 2.79Å; T60-Q72 PolarHBondContact OG1-N 2.84Å; T60-P92 WeakPolarHBondContact O-CA 2.84Å; T60-L93 PolarHBondContact O-N 3.43Å
61	I	92.5	Very high	92.6	Very high	27 Å²	27	30.7 Å²	30.7	14%	0.138	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.8	-178.9	-61.3	117.5	0	0	0	108.3	L70 Q72 D75 R90 R91	I61-L70 PolarHBondContact N-O 3.41Å; I61-L70 PolarHBondContact O-N 3.2Å; I61-Q72 HydrophobicContact CD1-CB 4.44Å; I61-D75 HydrophobicContact CB-CB 4.41Å; I61-D75 HydrophobicContact CD1-CB 3.7Å; I61-R90 HydrophobicContact CG2-CB 4.04Å; I61-R90 HydrophobicContact CG2-CG 4.43Å; I61-R91 WeakPolarHBondContact CA-O 3.48Å
62	L	91.9	Very high	92.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.2	162.5	175.4	83.4	0	0	0	108.9	S68 V69 R90 R91 L93 A181	L62-S68 WeakPolarHBondContact CD1-O 3.43Å; L62-V69 HydrophobicContact CD1-CG1 3.58Å; L62-R90 CarbonylContact O-C 3.58Å; L62-R90 VanDerWaalsContact O-CA 3.24Å; L62-R90 WeakPolarHBondContact O-CA 3.39Å; L62-R91 HydrophobicContact CB-CG 4.11Å; L62-R91 HydrophobicContact CD2-CG 4.08Å; L62-R91 PolarHBondContact N-O 2.91Å; L62-R91 PolarHBondContact O-N 3.48Å; L62-L93 HydrophobicContact CB-CD1 4.05Å; L62-L93 HydrophobicContact CB-CD2 3.92Å; L62-L93 HydrophobicContact CB-CG 3.95Å; L62-A181 HydrophobicContact CD1-CB 3.57Å; L62-A181 HydrophobicContact CD2-CB 3.13Å; L62-A181 HydrophobicContact CG-CB 3.92Å
63	C	90.7	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	111.1	162.8	-176.1	0	0	0	0	109.8	T65 D66 T67 S68 L70 H79 H88	C63-T65 PolarHBondContact SG-OG1 2.72Å; C63-D66 HydrophobicContact CB-CB 4.27Å; C63-D66 PolarHBondContact SG-N 3.45Å; C63-T67 VanDerWaalsContact O-CA 3.29Å; C63-T67 WeakPolarHBondContact O-CA 3.44Å; C63-T67 PolarHBondContact O-N 2.85Å; C63-S68 PolarHBondContact N-O 3Å; C63-S68 PolarHBondContact O-N 3.43Å; C63-S68 VanDerWaalsContact O-N 3.14Å; C63-L70 HydrophobicContact CB-CD1 4.49Å; C63-H79 PolarHBondContact SG-NE2 3Å; C63-H88 PolarHBondContact SG-ND1 2.94Å; C63-H88 VanDerWaalsContact SG-ND1 3.36Å
64	S	86.2	Confident	92.6	Very high	36 Å²	36	40.2 Å²	40.2	25%	0.252	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-34.3	179	-62.5	0	0	0	0	111.8	T67 E89	S64-T67 PolarHBondContact O-N 3.24Å; S64-E89 WeakPolarHBondContact CB-O 2.89Å; S64-E89 PolarHBondContact N-O 2.69Å
65	T	86.8	Confident	92.5	Very high	73 Å²	73	39.2 Å²	39.2	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-44.9	179.4	48	0	0	0	0	112	C63 H88	C63-T65 PolarHBondContact SG-OG1 2.72Å; T65-H88 HydrophobicContact CG2-CB 4.3Å; T65-H88 VanDerWaalsContact OG1-CB 3.22Å; T65-H88 WeakPolarHBondContact OG1-CB 3.49Å; T65-H88 PolarHBondContact OG1-CD2 3.31Å; T65-H88 PolarHBondContact OG1-ND1 3.16Å
66	D	88.5	Confident	92.3	Very high	60 Å²	60	44.4 Å²	44.4	32%	0.321	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.1	178.3	-64	-26	0	0	0	112.6	C63 S68 H79 H88 Q184	C63-D66 HydrophobicContact CB-CB 4.27Å; C63-D66 PolarHBondContact SG-N 3.45Å; D66-S68 PolarHBondContact O-N 3.4Å; D66-H79 IonicContact OD2-NE2 3.47Å; D66-H88 IonicContact OD1-CE1 3.35Å; D66-H88 PolarHBondContact OD1-CE1 3.18Å; D66-H88 VanDerWaalsContact OD1-CE1 3.29Å; D66-H88 IonicContact OD1-ND1 3.87Å; D66-H88 IonicContact OD2-CE1 3.83Å; D66-H88 PolarHBondContact OD2-CE1 3Å; D66-H88 IonicContact OD2-ND1 3.96Å; D66-H88 PolarHBondContact OD2-ND1 3.25Å; D66-Q184 PolarHBondContact O-NE2 3.45Å
67	T	89	Confident	92.2	Very high	74 Å²	74	45.7 Å²	45.7	45%	0.454	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	47.4	-171.2	57.3	0	0	0	0	112	C63 S64 G183 Q184	C63-T67 VanDerWaalsContact O-CA 3.29Å; C63-T67 WeakPolarHBondContact O-CA 3.44Å; C63-T67 PolarHBondContact O-N 2.85Å; S64-T67 PolarHBondContact O-N 3.24Å; T67-G183 CarbonylContact O-C 3.29Å; T67-G183 VanDerWaalsContact O-C 3.29Å; T67-G183 WeakPolarHBondContact O-CA 3.05Å; T67-Q184 PolarHBondContact O-N 2.71Å; T67-Q184 PolarHBondContact O-NE2 2.92Å; T67-Q184 VanDerWaalsContact O-NE2 3.16Å
68	S	92.3	Very high	91.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.5	-175.5	68	0	0	0	0	112.3	D52 L62 C63 D66	D52-S68 WeakPolarHBondContact OD2-CA 3.18Å; L62-S68 WeakPolarHBondContact CD1-O 3.43Å; C63-S68 PolarHBondContact N-O 3Å; C63-S68 PolarHBondContact O-N 3.43Å; C63-S68 VanDerWaalsContact O-N 3.14Å; D66-S68 PolarHBondContact O-N 3.4Å
69	V	93.8	Very high	91.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.1	177.8	-59.6	0	0	0	0	109.8	L49 D52 A59 L62 L93	L49-V69 HydrophobicContact CB-CG2 4.1Å; L49-V69 HydrophobicContact CD1-CG1 3.98Å; L49-V69 HydrophobicContact CD1-CG2 4.35Å; D52-V69 PolarHBondContact N-O 3.24Å; D52-V69 WeakPolarHBondContact OD2-CG2 3.49Å; D52-V69 PolarHBondContact OD2-N 3.21Å; A59-V69 HydrophobicContact CB-CB 3.78Å; A59-V69 HydrophobicContact CB-CG2 3.98Å; L62-V69 HydrophobicContact CD1-CG1 3.58Å; V69-L93 HydrophobicContact CB-CD1 3.92Å; V69-L93 HydrophobicContact CG1-CD1 3.68Å
70	L	94.1	Very high	90.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.5	-169.7	-57.7	174.6	0	0	0	110.8	A53 A59 T60 I61 C63 C74 D75 K78	A53-L70 HydrophobicContact CB-CD2 3.9Å; A59-L70 WeakPolarHBondContact CA-O 3.35Å; T60-L70 PolarHBondContact N-O 2.79Å; I61-L70 PolarHBondContact N-O 3.41Å; I61-L70 PolarHBondContact O-N 3.2Å; C63-L70 HydrophobicContact CB-CD1 4.49Å; L70-C74 HydrophobicContact CD2-CB 4.37Å; L70-D75 HydrophobicContact CB-CB 4.06Å; L70-D75 HydrophobicContact CD1-CB 4.35Å; L70-K78 HydrophobicContact CD1-CD 3.91Å; L70-K78 HydrophobicContact CD2-CD 4.16Å
71	C	95.3	Very high	90.1	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.034	26%	0.261	C	S	.	.			trans	-75.1	166.9	163.4	72.6	0	0	0	0	110.3	C51 S57 P58 N73 C74 D75	C51-C71 HydrophobicContact CB-CB 4.02Å; C51-C71 PolarHBondContact SG-N 3.19Å; S57-C71 WeakPolarHBondContact OG-CB 3.5Å; S57-C71 PolarHBondContact OG-SG 3.16Å; P58-C71 WeakPolarHBondContact O-CA 3.47Å; P58-C71 VanDerWaalsContact O-CB 3.27Å; P58-C71 WeakPolarHBondContact O-CB 3.22Å; C71-N73 VanDerWaalsContact C-N 3.27Å; C71-N73 PolarHBondContact O-N 2.86Å; C71-C74 PolarHBondContact O-N 2.76Å; C71-C74 PolarHBondContact SG-N 3.08Å; C71-D75 VanDerWaalsContact O-CB 3.27Å; C71-D75 WeakPolarHBondContact O-CB 3.39Å; C71-D75 PolarHBondContact O-N 2.85Å
72	Q	93.2	Very high	89.5	Confident	143 Å²	143	53.6 Å²	53.6	67%	0.668	29%	0.288	S	S	*	.	H	α-helix	trans	-56.2	-38.3	179.8	-170.3	174.2	6.8	0	0	113.6	T60 I61 W76	T60-Q72 PolarHBondContact OG1-N 2.84Å; I61-Q72 HydrophobicContact CD1-CB 4.44Å; Q72-W76 WeakPolarHBondContact O-CB 3.43Å; Q72-W76 PolarHBondContact O-N 2.96Å; Q72-W76 VanDerWaalsContact O-N 3.09Å
73	N	94.7	Very high	88.6	Confident	116 Å²	116	60.1 Å²	60.1	62%	0.62	32%	0.322	S	S	*	.	H	α-helix	trans	-69.8	-50.2	179.8	-66.6	91.4	0	0	0	112.1	C71 D75 W76 E77	C71-N73 VanDerWaalsContact C-N 3.27Å; C71-N73 PolarHBondContact O-N 2.86Å; N73-D75 VanDerWaalsContact C-N 3.32Å; N73-D75 PolarHBondContact O-N 3.25Å; N73-W76 PolarHBondContact O-N 2.83Å; N73-E77 WeakPolarHBondContact O-CG 3.39Å; N73-E77 PolarHBondContact O-N 3.35Å
74	C	94.1	Very high	87.7	Confident	10 Å²	10	61.8 Å²	61.8	7%	0.068	33%	0.334	C	S	.	.	H	α-helix	trans	-68.4	-32.3	179.6	-64.4	0	0	0	0	112.5	A53 L70 C71 E77 K78	A53-C74 HydrophobicContact CB-CB 3.89Å; L70-C74 HydrophobicContact CD2-CB 4.37Å; C71-C74 PolarHBondContact O-N 2.76Å; C71-C74 PolarHBondContact SG-N 3.08Å; C74-E77 PolarHBondContact O-N 2.89Å; C74-K78 WeakPolarHBondContact O-CB 3.44Å; C74-K78 WeakPolarHBondContact O-CG 3.44Å; C74-K78 PolarHBondContact O-N 3.48Å
75	D	92.6	Very high	86.9	Confident	16 Å²	16	68.1 Å²	68.1	9%	0.086	37%	0.365	C	S	.	.	H	α-helix	trans	-62.1	-47	171.3	177.1	64	0	0	0	111.1	I61 L70 C71 N73 E77 K78 H79 R90	I61-D75 HydrophobicContact CB-CB 4.41Å; I61-D75 HydrophobicContact CD1-CB 3.7Å; L70-D75 HydrophobicContact CB-CB 4.06Å; L70-D75 HydrophobicContact CD1-CB 4.35Å; C71-D75 VanDerWaalsContact O-CB 3.27Å; C71-D75 WeakPolarHBondContact O-CB 3.39Å; C71-D75 PolarHBondContact O-N 2.85Å; N73-D75 VanDerWaalsContact C-N 3.32Å; N73-D75 PolarHBondContact O-N 3.25Å; D75-E77 VanDerWaalsContact C-N 3.33Å; D75-E77 PolarHBondContact O-N 2.83Å; D75-K78 PolarHBondContact O-N 2.72Å; D75-H79 WeakPolarHBondContact O-CB 3.41Å; D75-H79 PolarHBondContact O-N 3.38Å; D75-H79 PolarHBondContact O-ND1 3.27Å; D75-H79 IonicContact OD1-CE1 3.92Å; D75-H79 PolarHBondContact OD1-CE1 2.89Å; D75-H79 IonicContact OD1-CG 3.33Å; D75-H79 IonicContact OD1-ND1 3.66Å; D75-H79 PolarHBondContact OD1-ND1 3.35Å; D75-R90 VanDerWaalsContact OD1-CD 3.24Å; D75-R90 WeakPolarHBondContact OD1-CD 3.22Å; D75-R90 IonicContact OD1-NH1 3.26Å; D75-R90 PolarHBondContact OD1-NH1 3.46Å; D75-R90 IonicContact OD2-NH1 2.88Å; D75-R90 PolarHBondContact OD2-NH1 2.91Å
76	W	90.3	Very high	86.3	Confident	153 Å²	153	67.8 Å²	67.8	58%	0.58	37%	0.366	S	S	*	.	H	α-helix	trans	-60.2	-42.9	176.2	178.6	-107.1	0	0	0	112.2	Q72 N73 N80	Q72-W76 WeakPolarHBondContact O-CB 3.43Å; Q72-W76 PolarHBondContact O-N 2.96Å; Q72-W76 VanDerWaalsContact O-N 3.09Å; N73-W76 PolarHBondContact O-N 2.83Å; W76-N80 WeakPolarHBondContact O-CA 3.29Å; W76-N80 VanDerWaalsContact O-CB 3.25Å; W76-N80 WeakPolarHBondContact O-CB 3.4Å; W76-N80 PolarHBondContact O-N 3.3Å
77	E	91	Very high	85.8	Confident	132 Å²	132	72.3 Å²	72.3	62%	0.617	39%	0.389	S	S	*	.	H	α-helix	trans	-64.7	-40.3	178.9	-72.9	172.9	-173.7	0	0	112.8	N73 C74 D75	N73-E77 WeakPolarHBondContact O-CG 3.39Å; N73-E77 PolarHBondContact O-N 3.35Å; C74-E77 PolarHBondContact O-N 2.89Å; D75-E77 VanDerWaalsContact C-N 3.33Å; D75-E77 PolarHBondContact O-N 2.83Å
78	K	87.5	Confident	85.7	Confident	89 Å²	89	70.3 Å²	70.3	39%	0.387	38%	0.375	S	S	.	.	H	α-helix	trans	-79.3	-33.7	-179.4	-73.4	-172.5	175.4	-171.1	0	113.8	L70 C74 D75 S84	L70-K78 HydrophobicContact CD1-CD 3.91Å; L70-K78 HydrophobicContact CD2-CD 4.16Å; C74-K78 WeakPolarHBondContact O-CB 3.44Å; C74-K78 WeakPolarHBondContact O-CG 3.44Å; C74-K78 PolarHBondContact O-N 3.48Å; D75-K78 PolarHBondContact O-N 2.72Å; K78-S84 PolarHBondContact O-OG 3.2Å
79	H	87.2	Confident	85.5	Confident	9 Å²	9	75.5 Å²	75.5	4%	0.042	40%	0.399	C	S	.	.	S	Bend	trans	-117.2	28.6	-172.9	-54.4	108.9	0	0	0	112.2	C63 D66 D75 P81 H88	C63-H79 PolarHBondContact SG-NE2 3Å; D66-H79 IonicContact OD2-NE2 3.47Å; D75-H79 WeakPolarHBondContact O-CB 3.41Å; D75-H79 PolarHBondContact O-N 3.38Å; D75-H79 PolarHBondContact O-ND1 3.27Å; D75-H79 IonicContact OD1-CE1 3.92Å; D75-H79 PolarHBondContact OD1-CE1 2.89Å; D75-H79 IonicContact OD1-CG 3.33Å; D75-H79 IonicContact OD1-ND1 3.66Å; D75-H79 PolarHBondContact OD1-ND1 3.35Å; H79-P81 WeakPolarHBondContact O-CD 3.44Å; H79-H88 AromaticContact CD2-CG 3.52Å; H79-H88 AromaticContact CD2-ND1 3.25Å; H79-H88 PolarHBondContact CD2-ND1 3.41Å; H79-H88 VanDerWaalsContact CD2-ND1 3.25Å; H79-H88 AromaticContact NE2-CE1 3.91Å; H79-H88 AromaticContact NE2-CG 3.49Å; H79-H88 AromaticContact NE2-ND1 2.86Å; H79-H88 PolarHBondContact NE2-ND1 3.43Å
80	N	84.5	Confident	85.2	Confident	33 Å²	33	76.9 Å²	76.9	18%	0.176	40%	0.403	C	S	.	.			trans	-63.4	122.1	172.4	-173.8	-7.5	0	0	0	108.4	W76 A82 L83 S84	W76-N80 WeakPolarHBondContact O-CA 3.29Å; W76-N80 VanDerWaalsContact O-CB 3.25Å; W76-N80 WeakPolarHBondContact O-CB 3.4Å; W76-N80 PolarHBondContact O-N 3.3Å; N80-A82 PolarHBondContact O-N 3.33Å; N80-A82 WeakPolarHBondContact OD1-CB 3.43Å; N80-A82 PolarHBondContact OD1-N 3.34Å; N80-A82 VanDerWaalsContact OD1-N 3.08Å; N80-L83 HydrophobicContact CB-CB 4.36Å; N80-L83 HydrophobicContact CB-CD1 4.3Å; N80-L83 HydrophobicContact CB-CG 4.35Å; N80-L83 PolarHBondContact O-N 3.14Å; N80-S84 PolarHBondContact O-N 3.37Å
81	P	76.4	Confident	84.9	Confident	86 Å²	86	78.9 Å²	78.9	56%	0.558	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.4	176.8	-24.1	33.4	0	0	0	113.6	H79 L83	H79-P81 WeakPolarHBondContact O-CD 3.44Å; P81-L83 VanDerWaalsContact C-N 3.31Å
82	A	80.5	Confident	84.7	Confident	86 Å²	86	83.3 Å²	83.3	71%	0.711	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-15.9	177.3	0	0	0	0	0	114.2	N80	N80-A82 PolarHBondContact O-N 3.33Å; N80-A82 WeakPolarHBondContact OD1-CB 3.43Å; N80-A82 PolarHBondContact OD1-N 3.34Å; N80-A82 VanDerWaalsContact OD1-N 3.08Å
83	L	72.1	Confident	84.5	Confident	137 Å²	137	78 Å²	78	72%	0.717	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-27.1	-175.5	-62.9	176.3	0	0	0	112.9	N80 P81	N80-L83 HydrophobicContact CB-CB 4.36Å; N80-L83 HydrophobicContact CB-CD1 4.3Å; N80-L83 HydrophobicContact CB-CG 4.35Å; N80-L83 PolarHBondContact O-N 3.14Å; P81-L83 VanDerWaalsContact C-N 3.31Å
84	S	71.6	Confident	84.2	Confident	36 Å²	36	78.2 Å²	78.2	25%	0.252	41%	0.413	S	S	.	.			trans	-121.6	111.7	-172.8	-58.4	0	0	0	0	110.4	K78 N80 S86	K78-S84 PolarHBondContact O-OG 3.2Å; N80-S84 PolarHBondContact O-N 3.37Å; S84-S86 VanDerWaalsContact C-N 3.27Å
85	D	69.2	Low	84.1	Confident	169 Å²	169	78.8 Å²	78.8	90%	0.904	42%	0.421	S	S	*	.			trans	-77	-12	174.1	-74.9	-30.9	0	0	0	112.8
86	S	74.9	Confident	84.2	Confident	66 Å²	66	79.1 Å²	79.1	46%	0.462	42%	0.422	S	S	.	.	S	Bend	trans	-84.3	121.9	-178.8	53.7	0	0	0	0	112	S84 H88	S84-S86 VanDerWaalsContact C-N 3.27Å; S86-H88 VanDerWaalsContact C-N 3.33Å; S86-H88 PolarHBondContact O-N 3.38Å; S86-H88 PolarHBondContact OG-CD2 3.07Å; S86-H88 VanDerWaalsContact OG-CD2 3.27Å; S86-H88 PolarHBondContact OG-NE2 3.08Å
87	L	78.3	Confident	84.4	Confident	154 Å²	154	75.4 Å²	75.4	81%	0.806	42%	0.416	S	S	*	.			trans	-74.5	86.9	170.5	-65.3	-177.6	0	0	0	109.9	E89	L87-E89 PolarHBondContact O-N 3.34Å
88	H	86.8	Confident	84.5	Confident	33 Å²	33	70.2 Å²	70.2	15%	0.153	40%	0.398	C	S	.	.			trans	-68.4	128.7	172.2	-74.6	-158.6	0	0	0	109.8	C63 T65 D66 H79 S86 R90 F150	C63-H88 PolarHBondContact SG-ND1 2.94Å; C63-H88 VanDerWaalsContact SG-ND1 3.36Å; T65-H88 HydrophobicContact CG2-CB 4.3Å; T65-H88 VanDerWaalsContact OG1-CB 3.22Å; T65-H88 WeakPolarHBondContact OG1-CB 3.49Å; T65-H88 PolarHBondContact OG1-CD2 3.31Å; T65-H88 PolarHBondContact OG1-ND1 3.16Å; D66-H88 IonicContact OD1-CE1 3.35Å; D66-H88 PolarHBondContact OD1-CE1 3.18Å; D66-H88 VanDerWaalsContact OD1-CE1 3.29Å; D66-H88 IonicContact OD1-ND1 3.87Å; D66-H88 IonicContact OD2-CE1 3.83Å; D66-H88 PolarHBondContact OD2-CE1 3Å; D66-H88 IonicContact OD2-ND1 3.96Å; D66-H88 PolarHBondContact OD2-ND1 3.25Å; H79-H88 AromaticContact CD2-CG 3.52Å; H79-H88 AromaticContact CD2-ND1 3.25Å; H79-H88 PolarHBondContact CD2-ND1 3.41Å; H79-H88 VanDerWaalsContact CD2-ND1 3.25Å; H79-H88 AromaticContact NE2-CE1 3.91Å; H79-H88 AromaticContact NE2-CG 3.49Å; H79-H88 AromaticContact NE2-ND1 2.86Å; H79-H88 PolarHBondContact NE2-ND1 3.43Å; S86-H88 VanDerWaalsContact C-N 3.33Å; S86-H88 PolarHBondContact O-N 3.38Å; S86-H88 PolarHBondContact OG-CD2 3.07Å; S86-H88 VanDerWaalsContact OG-CD2 3.27Å; S86-H88 PolarHBondContact OG-NE2 3.08Å; H88-R90 HydrophobicContact CB-CG 4.2Å; H88-R90 WeakPolarHBondContact O-CG 3.46Å; H88-R90 PolarHBondContact O-N 2.97Å; H88-R90 VanDerWaalsContact O-N 3.14Å; H88-F150 WeakPolarHBondContact O-CE1 3.26Å
89	E	86.7	Confident	84.7	Confident	111 Å²	111	69.7 Å²	69.7	52%	0.519	40%	0.404	S	S	.	.			trans	-68.7	112	171.5	-173.8	-164.9	145.7	0	0	108.4	S64 L87	S64-E89 WeakPolarHBondContact CB-O 2.89Å; S64-E89 PolarHBondContact N-O 2.69Å; L87-E89 PolarHBondContact O-N 3.34Å
90	R	88.6	Confident	85	Confident	30 Å²	30	70.2 Å²	70.2	11%	0.113	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.4	-175.9	-64.4	177.8	-68.1	170.4	-12	110.7	I61 L62 D75 H88 F150	I61-R90 HydrophobicContact CG2-CB 4.04Å; I61-R90 HydrophobicContact CG2-CG 4.43Å; L62-R90 CarbonylContact O-C 3.58Å; L62-R90 VanDerWaalsContact O-CA 3.24Å; L62-R90 WeakPolarHBondContact O-CA 3.39Å; D75-R90 VanDerWaalsContact OD1-CD 3.24Å; D75-R90 WeakPolarHBondContact OD1-CD 3.22Å; D75-R90 IonicContact OD1-NH1 3.26Å; D75-R90 PolarHBondContact OD1-NH1 3.46Å; D75-R90 IonicContact OD2-NH1 2.88Å; D75-R90 PolarHBondContact OD2-NH1 2.91Å; H88-R90 HydrophobicContact CB-CG 4.2Å; H88-R90 WeakPolarHBondContact O-CG 3.46Å; H88-R90 PolarHBondContact O-N 2.97Å; H88-R90 VanDerWaalsContact O-N 3.14Å; R90-F150 HydrophobicContact CB-CD1 3.9Å; R90-F150 HydrophobicContact CB-CE1 4.34Å; R90-F150 VanDerWaalsContact NE-CE1 3.31Å
91	R	87.2	Confident	85.3	Confident	42 Å²	42	71 Å²	71	16%	0.158	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.9	178.5	61.1	-176.9	172.9	97.7	-8.1	112.9	I61 L62 K179 A180 A181	I61-R91 WeakPolarHBondContact CA-O 3.48Å; L62-R91 HydrophobicContact CB-CG 4.11Å; L62-R91 HydrophobicContact CD2-CG 4.08Å; L62-R91 PolarHBondContact N-O 2.91Å; L62-R91 PolarHBondContact O-N 3.48Å; R91-K179 PolarHBondContact NH1-O 3.48Å; R91-K179 PolarHBondContact NH2-O 3.42Å; R91-A180 VanDerWaalsContact NH2-C 3.34Å; R91-A181 VanDerWaalsContact NH2-CB 3.34Å
92	P	90.7	Very high	86.1	Confident	98 Å²	98	67.2 Å²	67.2	64%	0.636	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	137.1	178.5	28	-34	0	0	0	112	T60 R178	T60-P92 WeakPolarHBondContact O-CA 2.84Å; P92-R178 PolarHBondContact O-NH2 3.01Å
93	L	90.1	Very high	86.6	Confident	31 Å²	31	65.8 Å²	65.8	16%	0.162	38%	0.377	C	S	.	.			trans	-95.7	148.9	168.9	-64.7	175.9	0	0	0	109.7	A59 T60 L62 V69 R178	A59-L93 HydrophobicContact CB-CD1 4.31Å; T60-L93 PolarHBondContact O-N 3.43Å; L62-L93 HydrophobicContact CB-CD1 4.05Å; L62-L93 HydrophobicContact CB-CD2 3.92Å; L62-L93 HydrophobicContact CB-CG 3.95Å; V69-L93 HydrophobicContact CB-CD1 3.92Å; V69-L93 HydrophobicContact CG1-CD1 3.68Å; L93-R178 VanDerWaalsContact C-NH2 3.32Å
94	E	88.1	Confident	87.5	Confident	121 Å²	121	63.8 Å²	63.8	57%	0.565	36%	0.364	S	S	*	.			trans	-123.2	143	177.6	-157.8	-178.3	171.1	0	0	106.9	R178	E94-R178 IonicContact OE2-NH1 3.21Å
95	G	91.9	Very high	88.5	Confident	23 Å²	23	62.5 Å²	62.5	24%	0.237	35%	0.354	C	S	.	.			trans	-74.6	164.6	172.7	0	0	0	0	0	112.1	R47 T48	R47-G95 CarbonylContact O-C 3.57Å; R47-G95 WeakPolarHBondContact O-CA 3.42Å; T48-G95 VanDerWaalsContact CG2-CA 3.47Å
96	F	94.2	Very high	89.5	Confident	22 Å²	22	54.5 Å²	54.5	10%	0.096	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-112.5	164.8	172.4	65.5	-84.1	0	0	0	110.4	L18 R47 P100 L105 I108	L18-F96 HydrophobicContact CD1-CZ 3.92Å; L18-F96 HydrophobicContact CD2-CE1 3.85Å; L18-F96 HydrophobicContact CD2-CZ 4.02Å; R47-F96 HydrophobicContact CB-CE1 4.13Å; R47-F96 HydrophobicContact CB-CE2 4.36Å; R47-F96 HydrophobicContact CB-CZ 4.04Å; R47-F96 PolarHBondContact N-O 3.38Å; R47-F96 VanDerWaalsContact NE-CE2 3.29Å; R47-F96 WeakPolarHBondContact O-CD1 2.83Å; R47-F96 PolarHBondContact O-N 2.95Å; F96-P100 HydrophobicContact CD2-CG 3.77Å; F96-P100 HydrophobicContact CE2-CG 3.63Å; F96-L105 HydrophobicContact CE2-CD2 4.02Å; F96-L105 HydrophobicContact CZ-CD2 3.92Å; F96-I108 HydrophobicContact CB-CD1 3.81Å; F96-I108 HydrophobicContact CB-CG2 4.44Å; F96-I108 HydrophobicContact CD1-CD1 4.31Å; F96-I108 HydrophobicContact CD1-CG2 3.64Å; F96-I108 HydrophobicContact CD2-CD1 4.19Å; F96-I108 HydrophobicContact CE1-CG2 4.16Å; F96-I108 HydrophobicContact CG-CD1 3.87Å; F96-I108 HydrophobicContact CG-CG2 4.23Å
97	T	94.7	Very high	90.1	Very high	75 Å²	75	54.1 Å²	54.1	46%	0.46	31%	0.309	S	S	.	.			trans	-135.2	175.6	175.3	59.4	0	0	0	0	108.1
98	G	93.8	Very high	90.7	Very high	23 Å²	23	49.2 Å²	49.2	24%	0.237	28%	0.283	C	S	.	.	S	Bend	trans	87.6	-151.8	179.8	0	0	0	0	0	113.4	S43 R47	S43-G98 WeakPolarHBondContact O-CA 3.47Å; S43-G98 PolarHBondContact O-N 2.75Å; R47-G98 PolarHBondContact NH2-O 2.95Å
99	C	91.8	Very high	90.7	Very high	78 Å²	78	47.8 Å²	47.8	53%	0.527	28%	0.277	S	S	.	.			trans	-130.9	76.6	176.2	-61.8	0	0	0	0	108.1	H36	H36-C99 PolarHBondContact O-SG 3.31Å
100	P	92.4	Very high	90.6	Very high	20 Å²	20	43.6 Å²	43.6	13%	0.13	26%	0.263	C	S	.	.			trans	-64.8	145.8	-172.8	27.2	-36.7	0	0	0	112.2	F96 E104 L105 I108	F96-P100 HydrophobicContact CD2-CG 3.77Å; F96-P100 HydrophobicContact CE2-CG 3.63Å; P100-E104 WeakPolarHBondContact CA-OE2 3.31Å; P100-E104 HydrophobicContact CB-CB 3.88Å; P100-E104 VanDerWaalsContact CB-CD 3.43Å; P100-E104 HydrophobicContact CB-CG 3.75Å; P100-E104 WeakPolarHBondContact CB-OE2 3.48Å; P100-L105 HydrophobicContact CB-CD2 4.13Å; P100-L105 HydrophobicContact CB-CG 4.09Å; P100-L105 HydrophobicContact CG-CD2 3.42Å; P100-L105 VanDerWaalsContact CG-CD2 3.42Å; P100-L105 HydrophobicContact CG-CG 3.78Å; P100-I108 HydrophobicContact CB-CD1 4.14Å; P100-I108 HydrophobicContact CG-CD1 4.41Å
101	S	92.2	Very high	90.1	Very high	51 Å²	51	42.9 Å²	42.9	36%	0.357	26%	0.261	S	S	.	.			trans	-67.3	165.2	171.1	68.6	0	0	0	0	111.2	S103 E104 L105	S101-S103 PolarHBondContact O-N 3.4Å; S101-E104 WeakPolarHBondContact O-CB 2.98Å; S101-E104 PolarHBondContact O-N 3.41Å; S101-E104 PolarHBondContact OG-N 3.12Å; S101-L105 WeakPolarHBondContact O-CG 3.31Å; S101-L105 PolarHBondContact O-N 3.39Å
102	V	92.8	Very high	89.5	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-37	176.9	179.9	0	0	0	0	111.8	L105 L106 L119 L193 L196 A197 E200	V102-L105 PolarHBondContact O-N 3.47Å; V102-L106 HydrophobicContact CG1-CD1 4.39Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 3.48Å; V102-L119 HydrophobicContact CG1-CD1 4.39Å; V102-L193 HydrophobicContact CG1-CB 4.45Å; V102-L196 HydrophobicContact CG2-CB 4.17Å; V102-A197 HydrophobicContact CG1-CB 4.2Å; V102-E200 WeakPolarHBondContact CG2-OE2 3.33Å
103	S	90.9	Very high	88.6	Confident	57 Å²	57	46.4 Å²	46.4	40%	0.399	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-36.8	175.5	-67.1	0	0	0	0	113	S101 S107	S101-S103 PolarHBondContact O-N 3.4Å; S103-S107 PolarHBondContact O-N 3.27Å; S103-S107 PolarHBondContact O-OG 2.86Å
104	E	90.9	Very high	87.7	Confident	94 Å²	94	47.5 Å²	47.5	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-70.8	-41.6	175.3	-172.2	-179.6	176.2	0	0	111.1	P100 S101 L106 S107 I108	P100-E104 WeakPolarHBondContact CA-OE2 3.31Å; P100-E104 HydrophobicContact CB-CB 3.88Å; P100-E104 VanDerWaalsContact CB-CD 3.43Å; P100-E104 HydrophobicContact CB-CG 3.75Å; P100-E104 WeakPolarHBondContact CB-OE2 3.48Å; S101-E104 WeakPolarHBondContact O-CB 2.98Å; S101-E104 PolarHBondContact O-N 3.41Å; S101-E104 PolarHBondContact OG-N 3.12Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.31Å; E104-S107 WeakPolarHBondContact O-CB 3.32Å; E104-S107 PolarHBondContact O-N 3.07Å; E104-S107 VanDerWaalsContact O-N 3.1Å; E104-I108 HydrophobicContact CG-CD1 3.87Å; E104-I108 HydrophobicContact CG-CG1 4.43Å; E104-I108 VanDerWaalsContact O-CG1 3.27Å; E104-I108 WeakPolarHBondContact O-CG1 3.48Å; E104-I108 PolarHBondContact O-N 2.76Å
105	L	91.8	Very high	86.8	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-41.6	173.6	-73.8	174.2	0	0	0	112.1	F29 F96 P100 S101 V102 S107 I108 V109 L193 L196	F29-L105 HydrophobicContact CD1-CD1 4.01Å; F29-L105 HydrophobicContact CD1-CD2 4.27Å; F29-L105 HydrophobicContact CE1-CD1 4.39Å; F29-L105 HydrophobicContact CE1-CD2 3.99Å; F96-L105 HydrophobicContact CE2-CD2 4.02Å; F96-L105 HydrophobicContact CZ-CD2 3.92Å; P100-L105 HydrophobicContact CB-CD2 4.13Å; P100-L105 HydrophobicContact CB-CG 4.09Å; P100-L105 HydrophobicContact CG-CD2 3.42Å; P100-L105 VanDerWaalsContact CG-CD2 3.42Å; P100-L105 HydrophobicContact CG-CG 3.78Å; S101-L105 WeakPolarHBondContact O-CG 3.31Å; S101-L105 PolarHBondContact O-N 3.39Å; V102-L105 PolarHBondContact O-N 3.47Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 3.03Å; L105-I108 PolarHBondContact O-N 3.47Å; L105-V109 WeakPolarHBondContact O-CB 3.4Å; L105-V109 WeakPolarHBondContact O-CG2 3.2Å; L105-V109 PolarHBondContact O-N 3.11Å; L105-L193 HydrophobicContact CB-CD2 3.8Å; L105-L193 HydrophobicContact CD1-CD2 3.79Å; L105-L193 HydrophobicContact CG-CD2 4.43Å; L105-L196 HydrophobicContact CD1-CD1 4.41Å
106	L	90.6	Very high	85.6	Confident	2 Å²	2	46 Å²	46	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-44.8	173.3	-74.3	163	0	0	0	111.2	V102 E104 V109 G110 F111 L114 L119 L190 L193	V102-L106 HydrophobicContact CG1-CD1 4.39Å; V102-L106 WeakPolarHBondContact O-CG 3.4Å; V102-L106 PolarHBondContact O-N 3.48Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.31Å; L106-V109 PolarHBondContact O-N 2.77Å; L106-G110 PolarHBondContact O-N 3.48Å; L106-F111 HydrophobicContact CB-CB 4.22Å; L106-F111 HydrophobicContact CD2-CB 3.68Å; L106-F111 HydrophobicContact CD2-CD2 4.25Å; L106-F111 HydrophobicContact CD2-CG 4.31Å; L106-F111 WeakPolarHBondContact O-CA 3.46Å; L106-F111 PolarHBondContact O-N 3.03Å; L106-L114 WeakPolarHBondContact CD1-O 3.39Å; L106-L119 HydrophobicContact CD1-CD1 3.64Å; L106-L119 HydrophobicContact CD1-CG 4.32Å; L106-L119 HydrophobicContact CD2-CD1 4.02Å; L106-L119 HydrophobicContact CG-CD1 4.28Å; L106-L190 HydrophobicContact CD2-CD2 4.23Å; L106-L193 HydrophobicContact CD2-CD1 3.69Å; L106-L193 HydrophobicContact CG-CD1 4.1Å
107	S	88.4	Confident	84.3	Confident	57 Å²	57	53.1 Å²	53.1	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-64.3	-44.1	177.9	-55.1	0	0	0	0	111.9	S103 E104 L105 V109 G110	S103-S107 PolarHBondContact O-N 3.27Å; S103-S107 PolarHBondContact O-OG 2.86Å; E104-S107 WeakPolarHBondContact O-CB 3.32Å; E104-S107 PolarHBondContact O-N 3.07Å; E104-S107 VanDerWaalsContact O-N 3.1Å; L105-S107 VanDerWaalsContact C-N 3.3Å; L105-S107 PolarHBondContact O-N 3.03Å; S107-V109 VanDerWaalsContact C-N 3.3Å; S107-V109 PolarHBondContact O-N 2.92Å; S107-G110 PolarHBondContact O-N 3.18Å
108	I	89.2	Confident	83.3	Confident	52 Å²	52	52.3 Å²	52.3	27%	0.267	31%	0.309	S	S	.	.	H	α-helix	trans	-63	-34.9	178.6	-70.7	163.8	0	0	0	112	F96 P100 E104 L105 A180	F96-I108 HydrophobicContact CB-CD1 3.81Å; F96-I108 HydrophobicContact CB-CG2 4.44Å; F96-I108 HydrophobicContact CD1-CD1 4.31Å; F96-I108 HydrophobicContact CD1-CG2 3.64Å; F96-I108 HydrophobicContact CD2-CD1 4.19Å; F96-I108 HydrophobicContact CE1-CG2 4.16Å; F96-I108 HydrophobicContact CG-CD1 3.87Å; F96-I108 HydrophobicContact CG-CG2 4.23Å; P100-I108 HydrophobicContact CB-CD1 4.14Å; P100-I108 HydrophobicContact CG-CD1 4.41Å; E104-I108 HydrophobicContact CG-CD1 3.87Å; E104-I108 HydrophobicContact CG-CG1 4.43Å; E104-I108 VanDerWaalsContact O-CG1 3.27Å; E104-I108 WeakPolarHBondContact O-CG1 3.48Å; E104-I108 PolarHBondContact O-N 2.76Å; L105-I108 PolarHBondContact O-N 3.47Å; I108-A180 WeakPolarHBondContact O-CB 3.3Å
109	V	88.1	Confident	81.8	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-84.9	-25.2	179.6	178.9	0	0	0	0	112.2	F29 L49 L105 L106 S107 F111 A180 A181 C182 I189	F29-V109 HydrophobicContact CZ-CG2 4.04Å; L49-V109 HydrophobicContact CD2-CG2 4.47Å; L105-V109 WeakPolarHBondContact O-CB 3.4Å; L105-V109 WeakPolarHBondContact O-CG2 3.2Å; L105-V109 PolarHBondContact O-N 3.11Å; L106-V109 PolarHBondContact O-N 2.77Å; S107-V109 VanDerWaalsContact C-N 3.3Å; S107-V109 PolarHBondContact O-N 2.92Å; V109-F111 HydrophobicContact CB-CD2 4.11Å; V109-F111 HydrophobicContact CB-CE2 4.32Å; V109-F111 HydrophobicContact CG1-CD2 3.79Å; V109-F111 HydrophobicContact CG1-CE2 3.51Å; V109-A180 CarbonylContact O-C 3.6Å; V109-A180 WeakPolarHBondContact O-CB 3.45Å; V109-A181 CarbonylContact O-C 3.53Å; V109-A181 VanDerWaalsContact O-C 3.29Å; V109-C182 PolarHBondContact O-N 3.48Å; V109-I189 HydrophobicContact CB-CG2 4.43Å; V109-I189 HydrophobicContact CG1-CD1 3.85Å; V109-I189 HydrophobicContact CG1-CG2 3.81Å; V109-I189 HydrophobicContact CG2-CG2 4.16Å
110	G	83.4	Confident	80.7	Confident	23 Å²	23	51.6 Å²	51.6	24%	0.237	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	116.9	16.6	178.3	0	0	0	0	0	116.7	L106 S107 A180	L106-G110 PolarHBondContact O-N 3.48Å; S107-G110 PolarHBondContact O-N 3.18Å; G110-A180 VanDerWaalsContact CA-C 3.41Å; G110-A180 WeakPolarHBondContact CA-O 3.47Å
111	F	79.2	Confident	78.7	Confident	15 Å²	15	54.5 Å²	54.5	7%	0.066	32%	0.315	C	S	.	.			trans	-109.4	39.4	179.9	-60.2	-67	0	0	0	111.6	L106 V109 D113 L114 C182 K186 I189 L190	L106-F111 HydrophobicContact CB-CB 4.22Å; L106-F111 HydrophobicContact CD2-CB 3.68Å; L106-F111 HydrophobicContact CD2-CD2 4.25Å; L106-F111 HydrophobicContact CD2-CG 4.31Å; L106-F111 WeakPolarHBondContact O-CA 3.46Å; L106-F111 PolarHBondContact O-N 3.03Å; V109-F111 HydrophobicContact CB-CD2 4.11Å; V109-F111 HydrophobicContact CB-CE2 4.32Å; V109-F111 HydrophobicContact CG1-CD2 3.79Å; V109-F111 HydrophobicContact CG1-CE2 3.51Å; F111-D113 PolarHBondContact O-N 2.88Å; F111-D113 VanDerWaalsContact O-N 3.08Å; F111-L114 HydrophobicContact CB-CB 4.37Å; F111-L114 HydrophobicContact CB-CD1 4.07Å; F111-L114 HydrophobicContact CB-CG 4.32Å; F111-L114 HydrophobicContact CD1-CD1 4.02Å; F111-L114 HydrophobicContact CG-CD1 4.25Å; F111-L114 PolarHBondContact O-N 3.26Å; F111-C182 HydrophobicContact CE1-CB 3.93Å; F111-C182 HydrophobicContact CE2-CB 3.99Å; F111-C182 HydrophobicContact CZ-CB 3.31Å; F111-K186 HydrophobicContact CE1-CD 3.77Å; F111-K186 HydrophobicContact CE1-CG 3.95Å; F111-K186 HydrophobicContact CZ-CB 4.2Å; F111-K186 HydrophobicContact CZ-CD 3.92Å; F111-K186 HydrophobicContact CZ-CG 3.63Å; F111-I189 HydrophobicContact CE2-CG2 4.11Å; F111-L190 HydrophobicContact CD1-CD2 4.16Å; F111-L190 HydrophobicContact CD2-CD2 3.86Å; F111-L190 HydrophobicContact CE1-CD1 4.31Å; F111-L190 HydrophobicContact CE1-CD2 4.26Å; F111-L190 HydrophobicContact CE1-CG 4.43Å; F111-L190 HydrophobicContact CE2-CD2 3.94Å; F111-L190 HydrophobicContact CE2-CG 4.21Å; F111-L190 HydrophobicContact CG-CD2 3.97Å; F111-L190 HydrophobicContact CZ-CD1 4.37Å; F111-L190 HydrophobicContact CZ-CD2 4.14Å; F111-L190 HydrophobicContact CZ-CG 4.11Å
112	S	75.2	Confident	76.2	Confident	59 Å²	59	56.1 Å²	56.1	41%	0.413	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-32.7	179.3	49.2	0	0	0	0	113.1	L114	S112-L114 VanDerWaalsContact C-N 3.29Å; S112-L114 PolarHBondContact O-N 3.04Å
113	D	72	Confident	73.7	Confident	155 Å²	155	62 Å²	62	83%	0.829	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-17.9	-176.5	-54	-20.8	0	0	0	112.8	F111 S115	F111-D113 PolarHBondContact O-N 2.88Å; F111-D113 VanDerWaalsContact O-N 3.08Å; D113-S115 PolarHBondContact O-N 3.49Å
114	L	69.5	Low	70.7	Confident	54 Å²	54	68.1 Å²	68.1	28%	0.283	39%	0.387	S	S	.	.			trans	-86.7	101.9	177.3	-62.7	-177.9	0	0	0	109.6	L106 F111 S112 L119 L190	L106-L114 WeakPolarHBondContact CD1-O 3.39Å; F111-L114 HydrophobicContact CB-CB 4.37Å; F111-L114 HydrophobicContact CB-CD1 4.07Å; F111-L114 HydrophobicContact CB-CG 4.32Å; F111-L114 HydrophobicContact CD1-CD1 4.02Å; F111-L114 HydrophobicContact CG-CD1 4.25Å; F111-L114 PolarHBondContact O-N 3.26Å; S112-L114 VanDerWaalsContact C-N 3.29Å; S112-L114 PolarHBondContact O-N 3.04Å; L114-L119 HydrophobicContact CD1-CD2 4.26Å; L114-L190 HydrophobicContact CD1-CD1 4.4Å; L114-L190 HydrophobicContact CD1-CD2 3.67Å
115	S	69.5	Low	67.6	Low	65 Å²	65	67.3 Å²	67.3	46%	0.455	40%	0.404	S	S	.	.			trans	-63.8	149.9	168.6	73.7	0	0	0	0	110.7	D113 K117 S118 L119	D113-S115 PolarHBondContact O-N 3.49Å; S115-K117 PolarHBondContact O-N 2.84Å; S115-S118 WeakPolarHBondContact O-CA 3.43Å; S115-S118 VanDerWaalsContact O-CB 3.29Å; S115-S118 WeakPolarHBondContact O-CB 3.43Å; S115-S118 PolarHBondContact O-N 3.38Å; S115-S118 PolarHBondContact OG-N 3.16Å; S115-L119 PolarHBondContact O-N 2.8Å
116	K	66.5	Low	64.6	Low	47 Å²	47	73.4 Å²	73.4	20%	0.204	45%	0.447	C	S	.	.	H	α-helix	trans	-51	-32.3	174.3	-174	176.3	173.6	-179.7	0	112.3	L119 L120 A197 E200	K116-L119 PolarHBondContact O-N 3.09Å; K116-L120 PolarHBondContact O-N 3.16Å; K116-A197 HydrophobicContact CG-CB 4.42Å; K116-E200 WeakPolarHBondContact CE-OE2 3.45Å; K116-E200 VanDerWaalsContact NZ-CD 3.31Å; K116-E200 IonicContact NZ-OE2 3.98Å; K116-E200 PolarHBondContact NZ-OE2 3.35Å
117	K	68.2	Low	61.5	Low	172 Å²	172	76.9 Å²	76.9	75%	0.748	48%	0.483	S	S	*	.	H	α-helix	trans	-65.3	-38.1	175.1	-61.7	178.9	180	176.7	0	112.8	S115 L119 L120 S121	S115-K117 PolarHBondContact O-N 2.84Å; K117-L119 VanDerWaalsContact C-N 3.3Å; K117-L119 PolarHBondContact O-N 3.39Å; K117-L120 PolarHBondContact O-N 2.84Å; K117-S121 PolarHBondContact O-N 3.31Å; K117-S121 PolarHBondContact O-OG 3.38Å
118	S	72.5	Confident	58.8	Low	58 Å²	58	78.4 Å²	78.4	41%	0.406	50%	0.5	S	S	.	.	H	α-helix	trans	-66.7	-31.3	175.6	-169.2	0	0	0	0	112.2	S115	S115-S118 WeakPolarHBondContact O-CA 3.43Å; S115-S118 VanDerWaalsContact O-CB 3.29Å; S115-S118 WeakPolarHBondContact O-CB 3.43Å; S115-S118 PolarHBondContact O-N 3.38Å; S115-S118 PolarHBondContact OG-N 3.16Å
119	L	61.9	Low	55.9	Low	5 Å²	5	83.8 Å²	83.8	3%	0.026	53%	0.529	C	S	.	.	H	α-helix	trans	-70.8	-36.7	175.8	-66.1	-173.2	0	0	0	112.8	V102 L106 L114 S115 K116 K117 S121 L190 L193 R194	V102-L119 HydrophobicContact CG1-CD1 4.39Å; L106-L119 HydrophobicContact CD1-CD1 3.64Å; L106-L119 HydrophobicContact CD1-CG 4.32Å; L106-L119 HydrophobicContact CD2-CD1 4.02Å; L106-L119 HydrophobicContact CG-CD1 4.28Å; L114-L119 HydrophobicContact CD1-CD2 4.26Å; S115-L119 PolarHBondContact O-N 2.8Å; K116-L119 PolarHBondContact O-N 3.09Å; K117-L119 VanDerWaalsContact C-N 3.3Å; K117-L119 PolarHBondContact O-N 3.39Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-L190 HydrophobicContact CD2-CD2 4.13Å; L119-L193 HydrophobicContact CD1-CB 4.46Å; L119-R194 WeakPolarHBondContact O-CD 3.24Å; L119-R194 WeakPolarHBondContact O-CG 3.42Å; L119-R194 PolarHBondContact O-NE 3.04Å; L119-R194 PolarHBondContact O-NH1 3.08Å
120	L	70.7	Confident	53.1	Low	80 Å²	80	87.1 Å²	87.1	42%	0.419	56%	0.564	S	S	.	*	H	α-helix	trans	-75.9	-25.5	-179.4	-64.5	175.7	0	0	0	112.3	K116 K117 S122 A197 K198	K116-L120 PolarHBondContact O-N 3.16Å; K117-L120 PolarHBondContact O-N 2.84Å; L120-S122 PolarHBondContact O-N 2.99Å; L120-A197 HydrophobicContact CD2-CB 4.17Å; L120-K198 HydrophobicContact CD2-CG 4.07Å
121	S	50.4	Low	50.8	Low	82 Å²	82	93.6 Å²	93.6	57%	0.573	59%	0.592	S	S	*	*	S	Bend	trans	-79.5	104.4	177.6	-54.7	0	0	0	0	109.8	K117 L119	K117-S121 PolarHBondContact O-N 3.31Å; K117-S121 PolarHBondContact O-OG 3.38Å; L119-S121 VanDerWaalsContact C-N 3.34Å
122	S	39.4	Very low	48.5	Very low	85 Å²	85	102.9 Å²	102.9	59%	0.594	63%	0.633	S	S	*	*			trans	-61.8	143.1	167.1	-68.1	0	0	0	0	110	L120 Q124	L120-S122 PolarHBondContact O-N 2.99Å; S122-Q124 PolarHBondContact O-N 3.44Å
123	P	39.5	Very low	46.1	Very low	129 Å²	129	103.5 Å²	103.5	84%	0.838	65%	0.648	S	S	*	*	S	Bend	trans	-74.1	79.4	176	29.8	-31.1	0	0	0	109.7
124	Q	27.5	Very low	44.2	Very low	185 Å²	185	99.5 Å²	99.5	86%	0.864	64%	0.644	S	S	*	*			trans	-128.2	112.1	161.6	-87.5	179.9	10.5	0	0	107.8	S122	S122-Q124 PolarHBondContact O-N 3.44Å
125	G	25.9	Very low	42.3	Very low	76 Å²	76	104.9 Å²	104.9	78%	0.784	67%	0.667	S	S	*	*			trans	106.4	104.1	163.8	0	0	0	0	0	115	G127	G125-G127 PolarHBondContact O-N 2.95Å
126	S	29	Very low	40.9	Very low	137 Å²	137	109 Å²	109	96%	0.958	68%	0.683	S	S	*	*			trans	-48	129.6	152.4	-59.9	0	0	0	0	110.8
127	G	25.5	Very low	39.7	Very low	75 Å²	75	115.1 Å²	115.1	77%	0.773	71%	0.712	S	S	*	*			trans	-169.3	107.3	172	0	0	0	0	0	109	G125	G125-G127 PolarHBondContact O-N 2.95Å
128	A	31.6	Very low	38.6	Very low	90 Å²	90	110 Å²	110	74%	0.744	71%	0.708	S	S	*	*			trans	-66.4	166.7	179.1	0	0	0	0	0	112.9
129	D	28.4	Very low	37.1	Very low	164 Å²	164	113 Å²	113	88%	0.877	72%	0.719	S	S	*	*			trans	85	115.3	159.7	-59.2	-24	0	0	0	119
130	G	28.9	Very low	36.5	Very low	74 Å²	74	117.7 Å²	117.7	76%	0.763	75%	0.752	S	S	*	*			trans	178	61.2	172.8	0	0	0	0	0	112.8	F132	G130-F132 PolarHBondContact O-N 3.1Å; G130-F132 VanDerWaalsContact O-N 3.09Å
131	I	36.4	Very low	35.3	Very low	159 Å²	159	120.9 Å²	120.9	82%	0.815	77%	0.77	S	S	*	*			trans	-51.8	104.2	174.5	-62	164.3	0	0	0	110.7
132	F	29.6	Very low	35.2	Very low	210 Å²	210	123 Å²	123	92%	0.921	77%	0.774	S	S	*	*			trans	-139	68.7	150.6	-93.3	-80.6	0	0	0	108.3	G130 G134	G130-F132 PolarHBondContact O-N 3.1Å; G130-F132 VanDerWaalsContact O-N 3.09Å; F132-G134 VanDerWaalsContact C-N 3.28Å; F132-G134 PolarHBondContact O-N 3.34Å; F132-G134 VanDerWaalsContact O-N 3.15Å
133	G	25.5	Very low	35.4	Very low	71 Å²	71	126.5 Å²	126.5	73%	0.732	78%	0.779	S	S	*	*			trans	-70.8	89.6	154.5	0	0	0	0	0	108.1	E135	G133-E135 PolarHBondContact O-N 3.45Å
134	G	31.7	Very low	35.6	Very low	72 Å²	72	124.9 Å²	124.9	74%	0.742	77%	0.766	S	S	*	*			trans	-90.3	82.6	161.3	0	0	0	0	0	107.9	F132 I136	F132-G134 VanDerWaalsContact C-N 3.28Å; F132-G134 PolarHBondContact O-N 3.34Å; F132-G134 VanDerWaalsContact O-N 3.15Å; G134-I136 PolarHBondContact O-N 2.9Å; G134-I136 VanDerWaalsContact O-N 3.09Å
135	E	30.2	Very low	36.1	Very low	166 Å²	166	123.9 Å²	123.9	78%	0.776	76%	0.755	S	S	*	*			trans	-57.3	107.8	170.4	-68.7	177.2	143.5	0	0	109.4	G133 E137	G133-E135 PolarHBondContact O-N 3.45Å; E135-E137 HydrophobicContact CB-CG 4.32Å; E135-E137 HydrophobicContact CG-CG 4.29Å
136	I	39.1	Very low	36.8	Very low	152 Å²	152	127.4 Å²	127.4	78%	0.779	76%	0.756	S	S	*	*			trans	-112.8	63.7	142.7	-53.9	-179.8	0	0	0	105.5	G134 G138	G134-I136 PolarHBondContact O-N 2.9Å; G134-I136 VanDerWaalsContact O-N 3.09Å; I136-G138 PolarHBondContact O-N 2.93Å
137	E	42.1	Very low	37.9	Very low	176 Å²	176	124.1 Å²	124.1	82%	0.822	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	101.9	160.3	-74.9	-84.6	143.9	0	0	106.4	E135	E135-E137 HydrophobicContact CB-CG 4.32Å; E135-E137 HydrophobicContact CG-CG 4.29Å
138	G	44.6	Very low	38.7	Very low	65 Å²	65	126.2 Å²	126.2	67%	0.67	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.8	-11.3	173.3	0	0	0	0	0	119.1	I136	I136-G138 PolarHBondContact O-N 2.93Å
139	L	41.5	Very low	39.6	Very low	120 Å²	120	125.5 Å²	125.5	63%	0.628	72%	0.722	S	S	*	*	S	Bend	trans	-136	-5.4	-178.8	-67.8	174.7	0	0	0	116.2
140	S	50	Low	40.8	Very low	104 Å²	104	120.8 Å²	120.8	73%	0.727	69%	0.694	S	S	*	*	S	Bend	trans	-79.2	-26	-178.6	-64.5	0	0	0	0	114.2
141	D	43.9	Very low	41.7	Very low	147 Å²	147	121.9 Å²	121.9	79%	0.786	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-85.8	-10.3	-179.1	-99.7	-2.6	0	0	0	114.4	F143	D141-F143 PolarHBondContact O-N 3.3Å
142	L	50	Low	42.5	Very low	126 Å²	126	115.9 Å²	115.9	66%	0.66	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-74.7	-13.6	178.5	-169.7	58.6	0	0	0	112.9
143	F	41.8	Very low	44	Very low	158 Å²	158	112 Å²	112	69%	0.693	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-123.6	14.8	-177.8	-62.9	-72.5	0	0	0	114.3	D141 W145	D141-F143 PolarHBondContact O-N 3.3Å; F143-W145 VanDerWaalsContact C-N 3.29Å; F143-W145 PolarHBondContact O-N 3.46Å
144	V	44.8	Very low	45.6	Very low	95 Å²	95	114.4 Å²	114.4	58%	0.576	64%	0.64	S	S	*	*			trans	-75.9	87.1	169.8	-179.8	0	0	0	0	108
145	W	36.7	Very low	47.1	Very low	165 Å²	165	115.6 Å²	115.6	63%	0.625	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-89.6	125.4	162.3	-77.8	66.4	0	0	0	108.1	F143 M169	F143-W145 VanDerWaalsContact C-N 3.29Å; F143-W145 PolarHBondContact O-N 3.46Å; W145-M169 HydrophobicContact CH2-CE 3.75Å; W145-M169 HydrophobicContact CZ3-CE 4.23Å
146	D	42.4	Very low	48.7	Very low	150 Å²	150	113.7 Å²	113.7	80%	0.802	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-68	131.5	172.3	-98.8	-35.3	0	0	0	110	P148	D146-P148 WeakPolarHBondContact O-CD 3.4Å
147	S	50.8	Low	49.6	Very low	68 Å²	68	111.5 Å²	111.5	48%	0.476	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-67.7	120	172.6	-65.5	0	0	0	0	107.7	S149	S147-S149 PolarHBondContact O-N 3.38Å
148	P	42.1	Very low	49.6	Very low	118 Å²	118	106.6 Å²	106.6	77%	0.766	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-61.4	131	179.8	23.3	-31.2	0	0	0	109.3	D146	D146-P148 WeakPolarHBondContact O-CD 3.4Å
149	S	51.8	Low	49.8	Very low	75 Å²	75	109.2 Å²	109.2	52%	0.524	61%	0.606	S	S	.	*	P	Polyproline II helix	trans	-54.5	144.1	165.8	51.8	0	0	0	0	108.8	S147 V151	S147-S149 PolarHBondContact O-N 3.38Å; S149-V151 PolarHBondContact O-N 2.98Å
150	F	52.3	Low	49.9	Very low	66 Å²	66	107.3 Å²	107.3	29%	0.289	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-47.6	132.1	177.7	76.9	-76	0	0	0	110.7	H88 R90 T152	H88-F150 WeakPolarHBondContact O-CE1 3.26Å; R90-F150 HydrophobicContact CB-CD1 3.9Å; R90-F150 HydrophobicContact CB-CE1 4.34Å; R90-F150 VanDerWaalsContact NE-CE1 3.31Å; F150-T152 HydrophobicContact CD2-CG2 4.31Å; F150-T152 HydrophobicContact CE2-CG2 3.43Å; F150-T152 VanDerWaalsContact CE2-CG2 3.43Å; F150-T152 HydrophobicContact CZ-CG2 4.08Å
151	V	48.4	Very low	49.8	Very low	97 Å²	97	108 Å²	108	59%	0.588	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-78.7	127.9	167	-72.7	0	0	0	0	107.6	S149 D155 L156	S149-V151 PolarHBondContact O-N 2.98Å; V151-D155 HydrophobicContact CB-CB 4.31Å; V151-L156 HydrophobicContact CG2-CD2 4.44Å
152	T	53.4	Low	49.7	Very low	32 Å²	32	105.4 Å²	105.4	20%	0.196	60%	0.598	C	S	.	*	P	Polyproline II helix	trans	-67.5	157.8	170.8	61.8	0	0	0	0	109.1	F150 D154 D155 L156	F150-T152 HydrophobicContact CD2-CG2 4.31Å; F150-T152 HydrophobicContact CE2-CG2 3.43Å; F150-T152 VanDerWaalsContact CE2-CG2 3.43Å; F150-T152 HydrophobicContact CZ-CG2 4.08Å; T152-D154 PolarHBondContact O-N 3.38Å; T152-D154 PolarHBondContact OG1-N 3.19Å; T152-D155 PolarHBondContact N-OD2 3.4Å; T152-D155 WeakPolarHBondContact O-CB 3.41Å; T152-D155 PolarHBondContact O-N 2.89Å; T152-D155 PolarHBondContact OG1-N 3.5Å; T152-D155 PolarHBondContact OG1-OD2 3.38Å; T152-L156 PolarHBondContact O-N 2.84Å
153	L	60.3	Low	49.3	Very low	128 Å²	128	104.8 Å²	104.8	67%	0.67	61%	0.605	S	S	*	*	H	α-helix	trans	-59.6	-26.5	169	-176.6	63.4	0	0	0	111.1	L156 I157	L153-L156 HydrophobicContact CD1-CD1 4.44Å; L153-L156 WeakPolarHBondContact O-CB 3.35Å; L153-L156 PolarHBondContact O-N 2.85Å; L153-I157 HydrophobicContact CD1-CD1 4.05Å; L153-I157 HydrophobicContact CD1-CG1 4.5Å; L153-I157 HydrophobicContact CD2-CD1 4.24Å; L153-I157 HydrophobicContact CG-CD1 3.7Å; L153-I157 HydrophobicContact CG-CG1 4.48Å; L153-I157 VanDerWaalsContact O-CG1 3.27Å; L153-I157 WeakPolarHBondContact O-CG1 2.88Å; L153-I157 PolarHBondContact O-N 2.92Å; L153-I157 VanDerWaalsContact O-N 3.16Å
154	D	60.6	Low	49.1	Very low	122 Å²	122	105.7 Å²	105.7	65%	0.652	61%	0.611	S	S	*	*	H	α-helix	trans	-69	-37.1	176.3	-134.1	-89.7	0	0	0	112.4	T152 L156 I157 S158	T152-D154 PolarHBondContact O-N 3.38Å; T152-D154 PolarHBondContact OG1-N 3.19Å; D154-L156 PolarHBondContact O-N 3.23Å; D154-I157 PolarHBondContact O-N 3.01Å; D154-I157 VanDerWaalsContact O-N 3.08Å; D154-S158 PolarHBondContact O-N 3.42Å; D154-S158 PolarHBondContact O-OG 3.33Å
155	D	62.4	Low	48.7	Very low	98 Å²	98	106.3 Å²	106.3	52%	0.524	62%	0.62	S	S	.	*	H	α-helix	trans	-63.1	-28.2	171.2	-65.3	-49	0	0	0	112.2	V151 T152	V151-D155 HydrophobicContact CB-CB 4.31Å; T152-D155 PolarHBondContact N-OD2 3.4Å; T152-D155 WeakPolarHBondContact O-CB 3.41Å; T152-D155 PolarHBondContact O-N 2.89Å; T152-D155 PolarHBondContact OG1-N 3.5Å; T152-D155 PolarHBondContact OG1-OD2 3.38Å
156	L	63.6	Low	48.9	Very low	126 Å²	126	108.6 Å²	108.6	66%	0.66	63%	0.634	S	S	*	*	H	α-helix	trans	-83.6	-16.7	175.9	-62.8	174.7	0	0	0	113.3	V151 T152 L153 D154	V151-L156 HydrophobicContact CG2-CD2 4.44Å; T152-L156 PolarHBondContact O-N 2.84Å; L153-L156 HydrophobicContact CD1-CD1 4.44Å; L153-L156 WeakPolarHBondContact O-CB 3.35Å; L153-L156 PolarHBondContact O-N 2.85Å; D154-L156 PolarHBondContact O-N 3.23Å
157	I	57.5	Low	48.7	Very low	106 Å²	106	109.4 Å²	109.4	54%	0.544	63%	0.633	S	S	.	*	H	α-helix	trans	-108.2	-5.8	-176.3	-62.9	171.4	0	0	0	112.2	L153 D154 S159	L153-I157 HydrophobicContact CD1-CD1 4.05Å; L153-I157 HydrophobicContact CD1-CG1 4.5Å; L153-I157 HydrophobicContact CD2-CD1 4.24Å; L153-I157 HydrophobicContact CG-CD1 3.7Å; L153-I157 HydrophobicContact CG-CG1 4.48Å; L153-I157 VanDerWaalsContact O-CG1 3.27Å; L153-I157 WeakPolarHBondContact O-CG1 2.88Å; L153-I157 PolarHBondContact O-N 2.92Å; L153-I157 VanDerWaalsContact O-N 3.16Å; D154-I157 PolarHBondContact O-N 3.01Å; D154-I157 VanDerWaalsContact O-N 3.08Å; I157-S159 PolarHBondContact O-N 2.89Å; I157-S159 PolarHBondContact O-OG 3.11Å
158	S	43.3	Very low	48.2	Very low	73 Å²	73	110.9 Å²	110.9	51%	0.51	65%	0.65	S	S	.	*			trans	-51.4	106.5	176.1	-84	0	0	0	0	112.1	D154 S160	D154-S158 PolarHBondContact O-N 3.42Å; D154-S158 PolarHBondContact O-OG 3.33Å; S158-S160 PolarHBondContact O-N 3.4Å
159	S	48.3	Very low	48.1	Very low	119 Å²	119	111 Å²	111	83%	0.832	64%	0.641	S	S	*	*			trans	-87.7	44.8	175.4	-61	0	0	0	0	110.7	I157 P161	I157-S159 PolarHBondContact O-N 2.89Å; I157-S159 PolarHBondContact O-OG 3.11Å; S159-P161 WeakPolarHBondContact O-CD 3.45Å
160	S	42.6	Very low	47.5	Very low	81 Å²	81	116 Å²	116	57%	0.566	66%	0.656	S	S	*	*			trans	-96.2	106.2	171.1	44.7	0	0	0	0	109.2	S158 S162	S158-S160 PolarHBondContact O-N 3.4Å; S160-S162 VanDerWaalsContact C-N 3.28Å; S160-S162 PolarHBondContact O-N 3.25Å
161	P	49.3	Very low	46.9	Very low	117 Å²	117	119.4 Å²	119.4	76%	0.76	68%	0.682	S	S	*	*			trans	-79.9	77	178.4	33.7	-33.2	0	0	0	109.3	S159	S159-P161 WeakPolarHBondContact O-CD 3.45Å
162	S	41.3	Very low	46.6	Very low	93 Å²	93	117.7 Å²	117.7	65%	0.65	67%	0.673	S	S	*	*	S	Bend	trans	-155.6	120.9	162	56.8	0	0	0	0	110.7	S160	S160-S162 VanDerWaalsContact C-N 3.28Å; S160-S162 PolarHBondContact O-N 3.25Å
163	S	41.3	Very low	45.8	Very low	114 Å²	114	122 Å²	122	80%	0.797	70%	0.702	S	S	*	*			trans	85.4	66.7	174.9	-49.4	0	0	0	0	115.9	S165	S163-S165 PolarHBondContact O-N 3.48Å
164	H	37.2	Very low	44.8	Very low	176 Å²	176	122.3 Å²	122.3	82%	0.815	70%	0.703	S	S	*	*			trans	-66	105.3	160.6	-63.9	-83.9	0	0	0	111.3
165	S	36.6	Very low	44.2	Very low	109 Å²	109	119.4 Å²	119.4	76%	0.762	69%	0.691	S	S	*	*			trans	-155.3	52.4	152.2	67.1	0	0	0	0	111.5	S163 Q167	S163-S165 PolarHBondContact O-N 3.48Å; S165-Q167 VanDerWaalsContact C-N 3.26Å; S165-Q167 PolarHBondContact O-N 3.33Å; S165-Q167 VanDerWaalsContact O-N 3.09Å
166	F	40.3	Very low	43.4	Very low	212 Å²	212	125.1 Å²	125.1	93%	0.93	71%	0.711	S	S	*	*			trans	-79.3	82.4	163.3	-80.6	-85.3	0	0	0	108.4	A168	F166-A168 PolarHBondContact O-N 2.81Å
167	Q	39.1	Very low	42.4	Very low	168 Å²	168	125.4 Å²	125.4	79%	0.785	71%	0.714	S	S	*	*			trans	-68.5	119.8	163	-174.1	167.7	-4.2	0	0	107	S165 M169	S165-Q167 VanDerWaalsContact C-N 3.26Å; S165-Q167 PolarHBondContact O-N 3.33Å; S165-Q167 VanDerWaalsContact O-N 3.09Å; Q167-M169 VanDerWaalsContact C-N 3.28Å; Q167-M169 PolarHBondContact O-N 3.38Å
168	A	39.5	Very low	42.2	Very low	99 Å²	99	124.8 Å²	124.8	82%	0.818	70%	0.704	S	S	*	*			trans	-61.2	92.6	174.5	0	0	0	0	0	108.6	F166 E170	F166-A168 PolarHBondContact O-N 2.81Å; A168-E170 PolarHBondContact O-N 3.28Å
169	M	41.5	Very low	42.6	Very low	120 Å²	120	128.9 Å²	128.9	59%	0.591	71%	0.713	S	S	*	*			trans	-59.8	122.6	175.6	-76.9	-72.5	-73.4	0	0	108.1	W145 Q167 V171	W145-M169 HydrophobicContact CH2-CE 3.75Å; W145-M169 HydrophobicContact CZ3-CE 4.23Å; Q167-M169 VanDerWaalsContact C-N 3.28Å; Q167-M169 PolarHBondContact O-N 3.38Å; M169-V171 PolarHBondContact O-N 2.92Å
170	E	38.7	Very low	42.9	Very low	180 Å²	180	123.8 Å²	123.8	84%	0.841	68%	0.678	S	S	*	*			trans	-43.6	123.4	164	-67.1	-178.1	148.4	0	0	108	A168 P172	A168-E170 PolarHBondContact O-N 3.28Å; E170-P172 WeakPolarHBondContact O-CD 3.4Å; E170-P172 VanDerWaalsContact O-CG 3.31Å; E170-P172 WeakPolarHBondContact O-CG 3.31Å
171	V	40.6	Very low	43.7	Very low	137 Å²	137	120.9 Å²	120.9	83%	0.83	66%	0.659	S	S	*	*			trans	-47.6	102.9	-175.8	179	0	0	0	0	109.1	M169	M169-V171 PolarHBondContact O-N 2.92Å
172	P	41.3	Very low	44.6	Very low	62 Å²	62	116.6 Å²	116.6	40%	0.403	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-67.9	145.5	-178.9	-19.1	34.5	0	0	0	108.4	E170 L174	E170-P172 WeakPolarHBondContact O-CD 3.4Å; E170-P172 VanDerWaalsContact O-CG 3.31Å; E170-P172 WeakPolarHBondContact O-CG 3.31Å; P172-L174 PolarHBondContact O-N 3.46Å
173	P	36.4	Very low	46.5	Very low	123 Å²	123	112.3 Å²	112.3	80%	0.799	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-57.7	138.4	179.7	24.1	-32.8	0	0	0	110.5
174	L	40.4	Very low	48.7	Very low	133 Å²	133	112.5 Å²	112.5	70%	0.696	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-51.5	136.6	-176.4	-82.1	94.8	0	0	0	111.7	P172 K176	P172-L174 PolarHBondContact O-N 3.46Å; L174-K176 PolarHBondContact O-N 2.98Å
175	P	45.9	Very low	51.2	Low	62 Å²	62	106.6 Å²	106.6	40%	0.403	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-62.1	124.4	-179.8	23.1	-31.2	0	0	0	110.4	N177	P175-N177 PolarHBondContact O-N 2.95Å
176	K	47	Very low	53.8	Low	218 Å²	218	105.4 Å²	105.4	95%	0.948	54%	0.544	S	S	*	.	S	Bend	trans	-72	-14.6	178.8	-66.2	-178.8	180	177.6	0	113.2	L174	L174-K176 PolarHBondContact O-N 2.98Å
177	N	41.8	Very low	56.2	Low	132 Å²	132	101.5 Å²	101.5	71%	0.706	53%	0.529	S	S	*	.			trans	-107.6	70.3	-177	-141.8	-44.9	0	0	0	109.7	P175 K179	P175-N177 PolarHBondContact O-N 2.95Å; N177-K179 PolarHBondContact O-N 3.3Å; N177-K179 VanDerWaalsContact O-N 3.07Å
178	R	54.7	Low	58.8	Low	92 Å²	92	96.5 Å²	96.5	35%	0.347	51%	0.506	S	S	.	.			trans	-74.1	102	171.5	-61.1	179.5	77.4	-157	11.1	105.6	P92 L93 E94 A180	P92-R178 PolarHBondContact O-NH2 3.01Å; L93-R178 VanDerWaalsContact C-NH2 3.32Å; E94-R178 IonicContact OE2-NH1 3.21Å; R178-A180 PolarHBondContact O-N 3.42Å
179	K	51.5	Low	61.4	Low	160 Å²	160	92 Å²	92	70%	0.696	47%	0.468	S	S	*	.			trans	-55.4	90.2	149.8	-63.1	-179.4	-177.5	179.1	0	103.9	R91 N177	R91-K179 PolarHBondContact NH1-O 3.48Å; R91-K179 PolarHBondContact NH2-O 3.42Å; N177-K179 PolarHBondContact O-N 3.3Å; N177-K179 VanDerWaalsContact O-N 3.07Å
180	A	54.5	Low	63.8	Low	11 Å²	11	87.1 Å²	87.1	9%	0.091	44%	0.444	C	S	.	.			trans	-63.8	154.8	161.9	0	0	0	0	0	106.5	R91 I108 V109 G110 R178	R91-A180 VanDerWaalsContact NH2-C 3.34Å; I108-A180 WeakPolarHBondContact O-CB 3.3Å; V109-A180 CarbonylContact O-C 3.6Å; V109-A180 WeakPolarHBondContact O-CB 3.45Å; G110-A180 VanDerWaalsContact CA-C 3.41Å; G110-A180 WeakPolarHBondContact CA-O 3.47Å; R178-A180 PolarHBondContact O-N 3.42Å
181	A	59.3	Low	66.5	Low	21 Å²	21	81.7 Å²	81.7	17%	0.174	43%	0.426	C	S	.	.			trans	-112.6	141.9	174.4	0	0	0	0	0	108.5	L62 R91 V109 G183	L62-A181 HydrophobicContact CD1-CB 3.57Å; L62-A181 HydrophobicContact CD2-CB 3.13Å; L62-A181 HydrophobicContact CG-CB 3.92Å; R91-A181 VanDerWaalsContact NH2-CB 3.34Å; V109-A181 CarbonylContact O-C 3.53Å; V109-A181 VanDerWaalsContact O-C 3.29Å; A181-G183 PolarHBondContact O-N 2.91Å
182	C	67.8	Low	69.1	Low	26 Å²	26	75.6 Å²	75.6	18%	0.176	39%	0.388	C	S	.	.			trans	-63.7	126.4	170.8	65.4	0	0	0	0	108.2	V109 F111 K186	V109-C182 PolarHBondContact O-N 3.48Å; F111-C182 HydrophobicContact CE1-CB 3.93Å; F111-C182 HydrophobicContact CE2-CB 3.99Å; F111-C182 HydrophobicContact CZ-CB 3.31Å; C182-K186 HydrophobicContact CB-CB 3.92Å; C182-K186 HydrophobicContact CB-CD 4.27Å; C182-K186 HydrophobicContact CB-CG 4.35Å; C182-K186 VanDerWaalsContact SG-CD 3.58Å
183	G	81.1	Confident	71.6	Confident	4 Å²	4	72.6 Å²	72.6	4%	0.041	37%	0.369	C	S	.	.			trans	-66.6	-166.8	164.9	0	0	0	0	0	111.3	D52 T67 A181 H185 K186	D52-G183 VanDerWaalsContact OD2-CA 3.29Å; D52-G183 WeakPolarHBondContact OD2-CA 3.47Å; T67-G183 CarbonylContact O-C 3.29Å; T67-G183 VanDerWaalsContact O-C 3.29Å; T67-G183 WeakPolarHBondContact O-CA 3.05Å; A181-G183 PolarHBondContact O-N 2.91Å; G183-H185 PolarHBondContact O-N 3.45Å; G183-H185 VanDerWaalsContact O-N 3.07Å; G183-K186 PolarHBondContact O-N 3.42Å
184	Q	87.2	Confident	74.2	Confident	117 Å²	117	70.2 Å²	70.2	55%	0.547	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.5	-179.5	-65.6	-65.9	-47.4	0	0	113.2	D52 D66 T67 K186	D52-Q184 HydrophobicContact CB-CB 4.34Å; D52-Q184 HydrophobicContact CB-CG 4.25Å; D52-Q184 PolarHBondContact OD2-N 2.63Å; D66-Q184 PolarHBondContact O-NE2 3.45Å; T67-Q184 PolarHBondContact O-N 2.71Å; T67-Q184 PolarHBondContact O-NE2 2.92Å; T67-Q184 VanDerWaalsContact O-NE2 3.16Å; Q184-K186 VanDerWaalsContact C-N 3.32Å; Q184-K186 PolarHBondContact O-N 2.86Å
185	H	91.1	Very high	76.7	Confident	52 Å²	52	69.7 Å²	69.7	24%	0.241	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	27.6	-176.9	-61.8	96.1	0	0	0	114.3	R6 L17 D52 G183 E187 E188 I189	R6-H185 VanDerWaalsContact CZ-CE1 3.48Å; R6-H185 PolarHBondContact NH1-CE1 2.95Å; L17-H185 HydrophobicContact CD2-CB 3.8Å; D52-H185 IonicContact OD1-CE1 2.77Å; D52-H185 PolarHBondContact OD1-CE1 2.95Å; D52-H185 IonicContact OD1-CG 3.11Å; D52-H185 IonicContact OD1-ND1 3.95Å; D52-H185 PolarHBondContact OD1-ND1 2.93Å; G183-H185 PolarHBondContact O-N 3.45Å; G183-H185 VanDerWaalsContact O-N 3.07Å; H185-E187 PolarHBondContact O-N 2.83Å; H185-E188 PolarHBondContact O-N 3.46Å; H185-I189 WeakPolarHBondContact O-CD1 3.41Å; H185-I189 VanDerWaalsContact O-CG1 3.26Å; H185-I189 WeakPolarHBondContact O-CG1 3.39Å; H185-I189 PolarHBondContact O-N 2.8Å
186	K	89.7	Confident	78.9	Confident	85 Å²	85	67.1 Å²	67.1	37%	0.37	32%	0.321	S	S	.	.	H	α-helix	trans	-48.4	-52.7	-178.6	164.1	161.1	177.2	178.3	0	113.9	F111 C182 G183 Q184 E188 I189 L190	F111-K186 HydrophobicContact CE1-CD 3.77Å; F111-K186 HydrophobicContact CE1-CG 3.95Å; F111-K186 HydrophobicContact CZ-CB 4.2Å; F111-K186 HydrophobicContact CZ-CD 3.92Å; F111-K186 HydrophobicContact CZ-CG 3.63Å; C182-K186 HydrophobicContact CB-CB 3.92Å; C182-K186 HydrophobicContact CB-CD 4.27Å; C182-K186 HydrophobicContact CB-CG 4.35Å; C182-K186 VanDerWaalsContact SG-CD 3.58Å; G183-K186 PolarHBondContact O-N 3.42Å; Q184-K186 VanDerWaalsContact C-N 3.32Å; Q184-K186 PolarHBondContact O-N 2.86Å; K186-E188 VanDerWaalsContact C-N 3.32Å; K186-E188 PolarHBondContact O-N 3.2Å; K186-I189 PolarHBondContact O-N 3.13Å; K186-L190 HydrophobicContact CG-CD1 4.09Å; K186-L190 WeakPolarHBondContact O-CG 3.46Å; K186-L190 PolarHBondContact O-N 2.81Å
187	E	91.8	Very high	81.1	Confident	129 Å²	129	56.9 Å²	56.9	60%	0.603	28%	0.277	S	S	*	.	H	α-helix	trans	-66.7	-36	-174.6	-61.1	-53.5	141.7	0	0	112.3	H185 L190 S191	H185-E187 PolarHBondContact O-N 2.83Å; E187-L190 PolarHBondContact O-N 3.31Å; E187-S191 WeakPolarHBondContact O-CB 3.5Å; E187-S191 PolarHBondContact O-N 3.27Å; E187-S191 PolarHBondContact O-OG 3.42Å
188	E	93.5	Very high	83.4	Confident	64 Å²	64	57.9 Å²	57.9	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-69	-41	176.3	-174.7	58.1	-151.9	0	0	111.1	T15 L17 H185 K186 S191 Q192	T15-E188 HydrophobicContact CG2-CG 3.98Å; L17-E188 HydrophobicContact CD1-CG 4.17Å; L17-E188 HydrophobicContact CD2-CB 4.44Å; L17-E188 HydrophobicContact CD2-CG 4.09Å; L17-E188 HydrophobicContact CG-CG 4.44Å; H185-E188 PolarHBondContact O-N 3.46Å; K186-E188 VanDerWaalsContact C-N 3.32Å; K186-E188 PolarHBondContact O-N 3.2Å; E188-S191 PolarHBondContact O-N 2.92Å; E188-Q192 PolarHBondContact O-N 3.42Å; E188-Q192 PolarHBondContact OE1-NE2 3.26Å
189	I	93.8	Very high	84.8	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-49.3	173.6	-63.2	158.9	0	0	0	110.4	L17 F29 V109 F111 H185 K186 S191 Q192 L193	L17-I189 HydrophobicContact CD1-CB 4.22Å; L17-I189 HydrophobicContact CD1-CG1 3.7Å; L17-I189 HydrophobicContact CD2-CG1 3.94Å; L17-I189 HydrophobicContact CG-CG1 4.31Å; F29-I189 HydrophobicContact CE2-CB 4.26Å; F29-I189 HydrophobicContact CE2-CG1 4.28Å; F29-I189 HydrophobicContact CE2-CG2 3.66Å; F29-I189 HydrophobicContact CZ-CG2 3.97Å; V109-I189 HydrophobicContact CB-CG2 4.43Å; V109-I189 HydrophobicContact CG1-CD1 3.85Å; V109-I189 HydrophobicContact CG1-CG2 3.81Å; V109-I189 HydrophobicContact CG2-CG2 4.16Å; F111-I189 HydrophobicContact CE2-CG2 4.11Å; H185-I189 WeakPolarHBondContact O-CD1 3.41Å; H185-I189 VanDerWaalsContact O-CG1 3.26Å; H185-I189 WeakPolarHBondContact O-CG1 3.39Å; H185-I189 PolarHBondContact O-N 2.8Å; K186-I189 PolarHBondContact O-N 3.13Å; I189-S191 VanDerWaalsContact C-N 3.28Å; I189-S191 PolarHBondContact O-N 3.27Å; I189-Q192 PolarHBondContact O-N 2.85Å; I189-L193 HydrophobicContact CG2-CD1 3.67Å; I189-L193 HydrophobicContact CG2-CG 4.19Å; I189-L193 WeakPolarHBondContact O-CB 3.29Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.32Å; I189-L193 PolarHBondContact O-N 2.74Å
190	L	92.6	Very high	86.1	Confident	18 Å²	18	51.6 Å²	51.6	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-35.4	179.1	-68.2	176.3	0	0	0	112.4	L106 F111 L114 L119 K186 E187 R194	L106-L190 HydrophobicContact CD2-CD2 4.23Å; F111-L190 HydrophobicContact CD1-CD2 4.16Å; F111-L190 HydrophobicContact CD2-CD2 3.86Å; F111-L190 HydrophobicContact CE1-CD1 4.31Å; F111-L190 HydrophobicContact CE1-CD2 4.26Å; F111-L190 HydrophobicContact CE1-CG 4.43Å; F111-L190 HydrophobicContact CE2-CD2 3.94Å; F111-L190 HydrophobicContact CE2-CG 4.21Å; F111-L190 HydrophobicContact CG-CD2 3.97Å; F111-L190 HydrophobicContact CZ-CD1 4.37Å; F111-L190 HydrophobicContact CZ-CD2 4.14Å; F111-L190 HydrophobicContact CZ-CG 4.11Å; L114-L190 HydrophobicContact CD1-CD1 4.4Å; L114-L190 HydrophobicContact CD1-CD2 3.67Å; L119-L190 HydrophobicContact CD2-CD2 4.13Å; K186-L190 HydrophobicContact CG-CD1 4.09Å; K186-L190 WeakPolarHBondContact O-CG 3.46Å; K186-L190 PolarHBondContact O-N 2.81Å; E187-L190 PolarHBondContact O-N 3.31Å; L190-R194 VanDerWaalsContact O-CB 3.24Å; L190-R194 WeakPolarHBondContact O-CB 3.45Å; L190-R194 PolarHBondContact O-N 3.32Å
191	S	93.9	Very high	86.6	Confident	66 Å²	66	55.6 Å²	55.6	46%	0.462	29%	0.285	S	S	.	.	H	α-helix	trans	-65.3	-49.4	177.8	-62.7	0	0	0	0	111.7	E187 E188 I189 R194 E195	E187-S191 WeakPolarHBondContact O-CB 3.5Å; E187-S191 PolarHBondContact O-N 3.27Å; E187-S191 PolarHBondContact O-OG 3.42Å; E188-S191 PolarHBondContact O-N 2.92Å; I189-S191 VanDerWaalsContact C-N 3.28Å; I189-S191 PolarHBondContact O-N 3.27Å; S191-R194 PolarHBondContact O-N 3.2Å; S191-E195 PolarHBondContact O-N 2.98Å
192	Q	95.3	Very high	86.5	Confident	8 Å²	8	61.1 Å²	61.1	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-67	-39.9	177.9	-68.6	-173.7	22.3	0	0	112.6	T15 L17 C28 F29 E188 I189 R194 E195 L196	T15-Q192 PolarHBondContact O-NE2 3.39Å; L17-Q192 VanDerWaalsContact CD1-CD 3.5Å; L17-Q192 HydrophobicContact CD1-CG 4.29Å; C28-Q192 VanDerWaalsContact CB-OE1 3.3Å; F29-Q192 HydrophobicContact CB-CB 4.43Å; F29-Q192 HydrophobicContact CD2-CB 3.9Å; E188-Q192 PolarHBondContact O-N 3.42Å; E188-Q192 PolarHBondContact OE1-NE2 3.26Å; I189-Q192 PolarHBondContact O-N 2.85Å; Q192-R194 VanDerWaalsContact C-N 3.31Å; Q192-R194 PolarHBondContact O-N 2.74Å; Q192-E195 PolarHBondContact O-N 3.44Å; Q192-L196 PolarHBondContact O-N 3.33Å
193	L	93.4	Very high	85.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.1	-34.4	176.3	-69.5	178.3	0	0	0	112	F29 V102 L105 L106 L119 I189 L196 A197	F29-L193 HydrophobicContact CD1-CD2 3.99Å; F29-L193 HydrophobicContact CD2-CD2 4.11Å; F29-L193 HydrophobicContact CD2-CG 4.28Å; F29-L193 HydrophobicContact CE1-CD2 4.14Å; F29-L193 HydrophobicContact CE2-CD2 4.25Å; F29-L193 HydrophobicContact CE2-CG 4.21Å; F29-L193 HydrophobicContact CG-CD2 3.99Å; F29-L193 HydrophobicContact CZ-CD2 4.27Å; V102-L193 HydrophobicContact CG1-CB 4.45Å; L105-L193 HydrophobicContact CB-CD2 3.8Å; L105-L193 HydrophobicContact CD1-CD2 3.79Å; L105-L193 HydrophobicContact CG-CD2 4.43Å; L106-L193 HydrophobicContact CD2-CD1 3.69Å; L106-L193 HydrophobicContact CG-CD1 4.1Å; L119-L193 HydrophobicContact CD1-CB 4.46Å; I189-L193 HydrophobicContact CG2-CD1 3.67Å; I189-L193 HydrophobicContact CG2-CG 4.19Å; I189-L193 WeakPolarHBondContact O-CB 3.29Å; I189-L193 VanDerWaalsContact O-CG 3.26Å; I189-L193 WeakPolarHBondContact O-CG 3.32Å; I189-L193 PolarHBondContact O-N 2.74Å; L193-L196 HydrophobicContact CD2-CD1 4.44Å; L193-L196 PolarHBondContact O-N 2.91Å; L193-A197 WeakPolarHBondContact O-CB 3.33Å; L193-A197 PolarHBondContact O-N 2.94Å
194	R	92.8	Very high	83.8	Confident	72 Å²	72	74.8 Å²	74.8	27%	0.272	38%	0.381	S	S	.	.	H	α-helix	trans	-65.7	-40.6	173	-173.9	-171.3	-55.6	-125.2	6.1	111.6	L119 L190 S191 Q192 A197 K198	L119-R194 WeakPolarHBondContact O-CD 3.24Å; L119-R194 WeakPolarHBondContact O-CG 3.42Å; L119-R194 PolarHBondContact O-NE 3.04Å; L119-R194 PolarHBondContact O-NH1 3.08Å; L190-R194 VanDerWaalsContact O-CB 3.24Å; L190-R194 WeakPolarHBondContact O-CB 3.45Å; L190-R194 PolarHBondContact O-N 3.32Å; S191-R194 PolarHBondContact O-N 3.2Å; Q192-R194 VanDerWaalsContact C-N 3.31Å; Q192-R194 PolarHBondContact O-N 2.74Å; R194-A197 PolarHBondContact O-N 3.29Å; R194-K198 WeakPolarHBondContact O-CG 3.38Å; R194-K198 PolarHBondContact O-N 3.08Å
195	E	93.2	Very high	81.5	Confident	122 Å²	122	76.9 Å²	76.9	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-65.3	-44.5	175.5	-173.3	172.1	-162.6	0	0	111.6	S191 Q192 A197 K198 S199	S191-E195 PolarHBondContact O-N 2.98Å; Q192-E195 PolarHBondContact O-N 3.44Å; E195-A197 VanDerWaalsContact C-N 3.31Å; E195-A197 PolarHBondContact O-N 3.25Å; E195-K198 WeakPolarHBondContact O-CB 3.47Å; E195-K198 PolarHBondContact O-N 3.38Å; E195-K198 VanDerWaalsContact O-N 3.14Å; E195-S199 PolarHBondContact O-N 3.07Å
196	L	92.1	Very high	78.9	Confident	8 Å²	8	79.7 Å²	79.7	4%	0.042	41%	0.413	C	S	.	.	H	α-helix	trans	-59.9	-37.6	173.1	-85.5	-170.6	0	0	0	113.6	F29 V102 L105 Q192 L193 K198 S199 E200	F29-L196 HydrophobicContact CB-CD1 3.44Å; F29-L196 VanDerWaalsContact CB-CD1 3.44Å; F29-L196 HydrophobicContact CB-CG 4.31Å; F29-L196 HydrophobicContact CG-CD1 4.44Å; V102-L196 HydrophobicContact CG2-CB 4.17Å; L105-L196 HydrophobicContact CD1-CD1 4.41Å; Q192-L196 PolarHBondContact O-N 3.33Å; L193-L196 HydrophobicContact CD2-CD1 4.44Å; L193-L196 PolarHBondContact O-N 2.91Å; L196-K198 PolarHBondContact O-N 3.34Å; L196-S199 PolarHBondContact O-N 2.82Å; L196-S199 PolarHBondContact O-OG 2.85Å; L196-S199 VanDerWaalsContact O-OG 3.06Å; L196-E200 PolarHBondContact O-N 3.38Å; L196-E200 VanDerWaalsContact O-N 3.14Å
197	A	91.6	Very high	76.2	Confident	4 Å²	4	86 Å²	86	3%	0.033	44%	0.436	C	S	.	.	H	α-helix	trans	-63.8	-29.7	177.8	0	0	0	0	0	112.6	V102 K116 L120 L193 R194 E195	V102-A197 HydrophobicContact CG1-CB 4.2Å; K116-A197 HydrophobicContact CG-CB 4.42Å; L120-A197 HydrophobicContact CD2-CB 4.17Å; L193-A197 WeakPolarHBondContact O-CB 3.33Å; L193-A197 PolarHBondContact O-N 2.94Å; R194-A197 PolarHBondContact O-N 3.29Å; E195-A197 VanDerWaalsContact C-N 3.31Å; E195-A197 PolarHBondContact O-N 3.25Å
198	K	91	Very high	73.4	Confident	152 Å²	152	85.3 Å²	85.3	66%	0.661	44%	0.441	S	S	*	.	H	α-helix	trans	-75.5	-29.2	177.6	-65.8	169.9	-176.3	176.7	0	112.4	L120 R194 E195 L196	L120-K198 HydrophobicContact CD2-CG 4.07Å; R194-K198 WeakPolarHBondContact O-CG 3.38Å; R194-K198 PolarHBondContact O-N 3.08Å; E195-K198 WeakPolarHBondContact O-CB 3.47Å; E195-K198 PolarHBondContact O-N 3.38Å; E195-K198 VanDerWaalsContact O-N 3.14Å; L196-K198 PolarHBondContact O-N 3.34Å
199	S	83.7	Confident	70.5	Confident	76 Å²	76	87.4 Å²	87.4	53%	0.531	46%	0.462	S	S	.	.	H	α-helix	trans	-91.3	-6.5	179	64.4	0	0	0	0	113.6	E195 L196	E195-S199 PolarHBondContact O-N 3.07Å; L196-S199 PolarHBondContact O-N 2.82Å; L196-S199 PolarHBondContact O-OG 2.85Å; L196-S199 VanDerWaalsContact O-OG 3.06Å
200	E	78.6	Confident	67.7	Low	45 Å²	45	92 Å²	92	21%	0.21	50%	0.495	C	S	.	.	S	Bend	trans	-72.3	127.2	172.1	-162.2	170.8	-168.6	0	0	109.8	V102 K116 L196 L202	V102-E200 WeakPolarHBondContact CG2-OE2 3.33Å; K116-E200 WeakPolarHBondContact CE-OE2 3.45Å; K116-E200 VanDerWaalsContact NZ-CD 3.31Å; K116-E200 IonicContact NZ-OE2 3.98Å; K116-E200 PolarHBondContact NZ-OE2 3.35Å; L196-E200 PolarHBondContact O-N 3.38Å; L196-E200 VanDerWaalsContact O-N 3.14Å; E200-L202 PolarHBondContact O-N 2.85Å; E200-L202 VanDerWaalsContact O-N 3.09Å
201	P	64.7	Low	64.8	Low	94 Å²	94	94.4 Å²	94.4	61%	0.61	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-53.9	123.2	172.1	-19	29.5	0	0	0	107.9	D203	P201-D203 PolarHBondContact O-N 2.97Å; P201-D203 VanDerWaalsContact O-N 3.15Å
202	L	57.9	Low	61.8	Low	138 Å²	138	98.7 Å²	98.7	72%	0.723	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-58.2	123.2	160.8	-64.2	178.6	0	0	0	104.8	E200 L204	E200-L202 PolarHBondContact O-N 2.85Å; E200-L202 VanDerWaalsContact O-N 3.09Å; L202-L204 PolarHBondContact O-N 2.83Å
203	D	47.9	Very low	58.9	Low	156 Å²	156	106.5 Å²	106.5	83%	0.834	58%	0.583	S	S	*	*			trans	-57.6	83	164.9	-83.6	-43.8	0	0	0	106.9	P201 E205	P201-D203 PolarHBondContact O-N 2.97Å; P201-D203 VanDerWaalsContact O-N 3.15Å; D203-E205 PolarHBondContact O-N 3.31Å
204	L	44.5	Very low	55.7	Low	160 Å²	160	112.3 Å²	112.3	84%	0.838	62%	0.623	S	S	*	*			trans	-73.8	89.7	161.6	-159.6	73.1	0	0	0	102.8	L202	L202-L204 PolarHBondContact O-N 2.83Å
205	E	37.8	Very low	52.8	Low	162 Å²	162	114 Å²	114	76%	0.757	65%	0.646	S	S	*	*			trans	-24.6	113.9	167.1	-78.9	-72.7	137.2	0	0	108.9	D203 Y207	D203-E205 PolarHBondContact O-N 3.31Å; E205-Y207 VanDerWaalsContact C-N 3.34Å; E205-Y207 PolarHBondContact O-N 3.08Å
206	P	37.1	Very low	49.6	Very low	110 Å²	110	111.3 Å²	111.3	71%	0.714	65%	0.651	S	S	*	*			trans	-62.7	102.3	-177.6	-19.7	31.2	0	0	0	107.4	V208	P206-V208 VanDerWaalsContact C-N 3.3Å; P206-V208 PolarHBondContact O-N 2.76Å
207	Y	32.2	Very low	46.7	Very low	218 Å²	218	119.4 Å²	119.4	86%	0.855	69%	0.687	S	S	*	*			trans	-59.9	105.1	164	-168.9	-92	0	0	0	105.5	E205 S209	E205-Y207 VanDerWaalsContact C-N 3.34Å; E205-Y207 PolarHBondContact O-N 3.08Å; Y207-S209 PolarHBondContact O-N 2.81Å
208	V	34.8	Very low	43.4	Very low	114 Å²	114	127.7 Å²	127.7	69%	0.691	73%	0.725	S	S	*	*			trans	-56.1	101	-178.5	179.3	0	0	0	0	107.8	P206 S210	P206-V208 VanDerWaalsContact C-N 3.3Å; P206-V208 PolarHBondContact O-N 2.76Å; V208-S210 WeakPolarHBondContact CG1-OG 3.48Å
209	S	31.9	Very low	40.7	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	73%	0.734	S	S	*	*			trans	-112.6	85.4	159	-163.9	0	0	0	0	106.5	Y207 G211	Y207-S209 PolarHBondContact O-N 2.81Å; S209-G211 VanDerWaalsContact C-N 3.3Å; S209-G211 PolarHBondContact O-N 2.94Å
210	S	34.3	Very low	38	Very low	102 Å²	102	136.3 Å²	136.3	71%	0.713	75%	0.749	S	S	*	*			trans	-55.6	92	169	-59.1	0	0	0	0	109.8	V208	V208-S210 WeakPolarHBondContact CG1-OG 3.48Å
211	G	32.1	Very low	36.5	Very low	68 Å²	68	139.1 Å²	139.1	70%	0.701	77%	0.771	S	S	*	*			trans	-111.4	100.3	167.2	0	0	0	0	0	108.4	S209 L213	S209-G211 VanDerWaalsContact C-N 3.3Å; S209-G211 PolarHBondContact O-N 2.94Å; G211-L213 PolarHBondContact O-N 3.14Å
212	N	31.1	Very low	34.7	Very low	156 Å²	156	144.2 Å²	144.2	83%	0.834	79%	0.787	S	S	*	*			trans	-47.2	121.5	178.2	-61.7	-45.4	0	0	0	112.3
213	L	33.5	Very low	33.2	Very low	172 Å²	172	141.6 Å²	141.6	90%	0.901	79%	0.785	S	S	*	*			trans	-128.9	83.7	155	-139.1	79.2	0	0	0	109.1	G211 S215	G211-L213 PolarHBondContact O-N 3.14Å; L213-S215 PolarHBondContact O-N 2.84Å
214	S	26.4	Very low	32.2	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	78%	0.781	S	S	*	*			trans	-71.8	114.8	162.6	179.7	0	0	0	0	108.1
215	S	32.1	Very low	31.6	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	78%	0.78	S	S	*	*			trans	-136.2	91.8	160.1	178.6	0	0	0	0	108.1	L213	L213-S215 PolarHBondContact O-N 2.84Å
216	G	26.9	Very low	30.9	Very low	66 Å²	66	142 Å²	142	68%	0.68	78%	0.783	S	S	*	*			trans	-69.7	137.6	163.7	0	0	0	0	0	110.3
217	F	31.3	Very low	30.5	Very low	178 Å²	178	142.1 Å²	142.1	78%	0.781	78%	0.784	S	S	*	*			trans	-137.5	85.9	157.7	-155.2	-96.1	0	0	0	108.2
218	E	22.5	Very low	30.2	Very low	179 Å²	179	136.8 Å²	136.8	84%	0.836	78%	0.779	S	S	*	*			trans	-82	122.6	159.7	-75.3	-80.8	123.3	0	0	107.6
219	R	33.1	Very low	30.1	Very low	225 Å²	225	139.3 Å²	139.3	85%	0.849	78%	0.782	S	S	*	*			trans	-148.2	129.3	142.4	-77.4	-156.9	-163.4	164.5	7.2	111.4
220	E	28.4	Very low	29.6	Very low	183 Å²	183	142.9 Å²	142.9	86%	0.855	79%	0.787	S	S	*	*			trans	-67	176.6	178	-116.8	-162.9	99	0	0	115.2
221	P	45.4	Very low	29.5	Very low	104 Å²	104	148.8 Å²	148.8	68%	0.675	79%	0.794	S	S	*	*			trans	-99.1	163.3	-155.4	40.1	-38.4	0	0	0	115.1
222	E	28.2	Very low	29.1	Very low	202 Å²	202	154.8 Å²	154.8	94%	0.944	80%	0.803	S	S	*	*			trans	-107.3	142	159.2	-79.7	-162.4	148.6	0	0	111.6
223	A	26.6	Very low	29.4	Very low	82 Å²	82	158.2 Å²	158.2	68%	0.678	81%	0.805	S	S	*	*			trans	-94.3	162	-169.2	0	0	0	0	0	113.1
224	D	26.5	Very low	28.8	Very low	139 Å²	139	159.1 Å²	159.1	74%	0.743	80%	0.804	S	S	*	*			trans	64	121.3	149	-60.2	-37.6	0	0	0	120.1
225	I	32.4	Very low	29.1	Very low	160 Å²	160	159 Å²	159	82%	0.821	80%	0.803	S	S	*	*				-171	113.6	114.2	-87.1	145.4	0	0	0	108.6
226	F	22.4	Very low	28.9	Very low	189 Å²	189	158.2 Å²	158.2	83%	0.829	80%	0.798	S	S	*	*			trans	-76.5	141.7	163.8	-95.6	-97.8	0	0	0	110.4
227	P	28.8	Very low	29.1	Very low	111 Å²	111	163.2 Å²	163.2	72%	0.721	80%	0.804	S	S	*	*			trans	-112.5	122.6	142.2	-11.5	30.4	0	0	0	112.8
228	S	25.3	Very low	29.7	Very low	107 Å²	107	158.8 Å²	158.8	75%	0.748	79%	0.793	S	S	*	*			trans	-68.9	133.5	166	-66	0	0	0	0	110.9
229	H	33.6	Very low	29.8	Very low	167 Å²	167	158.9 Å²	158.9	77%	0.773	80%	0.795	S	S	*	*			trans	-129.8	117.3	155.9	-94.1	-53.8	0	0	0	111.3
230	E	21.1	Very low	29.9	Very low	182 Å²	182	158.1 Å²	158.1	85%	0.85	79%	0.794	S	S	*	*			trans	-61.5	125.2	166	-59.5	-179.6	136.5	0	0	109.9
231	W	31.1	Very low	30.1	Very low	227 Å²	227	158.2 Å²	158.2	86%	0.86	79%	0.794	S	S	*	*			trans	-121.1	85.8	168.1	-75.6	91.8	0	0	0	109.5
232	H	24.2	Very low	29.5	Very low	193 Å²	193	159.8 Å²	159.8	89%	0.894	80%	0.802	S	S	*	*			trans	-80.6	111.7	149.3	-95	-83	0	0	0	108
233	R	37.9	Very low	29.7	Very low	229 Å²	229	156.2 Å²	156.2	86%	0.864	79%	0.793	S	S	*	*			trans	-155.1	106.7	143.7	-151	168.2	-151.5	146.5	6.7	111.6	S235	R233-S235 PolarHBondContact O-N 2.9Å
234	E	20.9	Very low	30.3	Very low	190 Å²	190	157.2 Å²	157.2	89%	0.888	79%	0.793	S	S	*	*			trans	-54.8	121.5	159	-157.4	158.9	-150.1	0	0	108.7
235	S	32.9	Very low	30.9	Very low	119 Å²	119	156.6 Å²	156.6	83%	0.832	80%	0.796	S	S	*	*			trans	-131.3	100.1	167.8	-167.8	0	0	0	0	108.2	R233	R233-S235 PolarHBondContact O-N 2.9Å
236	S	27	Very low	31.2	Very low	91 Å²	91	155 Å²	155	64%	0.636	79%	0.789	S	S	*	*			trans	-69.2	157.2	165.6	39.6	0	0	0	0	112.3
237	E	31.4	Very low	32.5	Very low	171 Å²	171	151.2 Å²	151.2	80%	0.799	78%	0.784	S	S	*	*			trans	84.6	152.7	163.9	-60.3	-64.6	140	0	0	119.8
238	P	43.7	Very low	32.8	Very low	85 Å²	85	153.1 Å²	153.1	55%	0.552	79%	0.787	S	S	*	*			cis	-128.1	165	-17.3	23.9	-1.4	0	0	0	114.9	Y240	P238-Y240 PolarHBondContact O-N 3.45Å
239	M	24.6	Very low	33.2	Very low	181 Å²	181	156.4 Å²	156.4	89%	0.892	79%	0.793	S	S	*	*			trans	-70.2	106.2	175.1	-175.1	172.7	-177.5	0	0	111.5	Q241	M239-Q241 PolarHBondContact O-N 2.8Å
240	Y	36.7	Very low	33.1	Very low	209 Å²	209	159.5 Å²	159.5	82%	0.82	80%	0.798	S	S	*	*			trans	-71	114.9	174.4	-72.8	-83.1	0	0	0	111.2	P238	P238-Y240 PolarHBondContact O-N 3.45Å
241	Q	32.2	Very low	33.6	Very low	184 Å²	184	155.3 Å²	155.3	86%	0.86	79%	0.785	S	S	*	*			trans	-62.8	135.6	169.6	-76	177	-22.1	0	0	110.8	M239 V243	M239-Q241 PolarHBondContact O-N 2.8Å; Q241-V243 PolarHBondContact O-N 2.8Å
242	V	31.5	Very low	33.7	Very low	137 Å²	137	154 Å²	154	83%	0.83	78%	0.781	S	S	*	*			trans	-76	107.9	178.4	174.6	0	0	0	0	108.7
243	V	33.1	Very low	34.3	Very low	127 Å²	127	150.3 Å²	150.3	77%	0.77	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-84.3	125	166.1	-179.2	0	0	0	0	108.1	Q241	Q241-V243 PolarHBondContact O-N 2.8Å
244	P	39.8	Very low	34	Very low	104 Å²	104	147.7 Å²	147.7	68%	0.675	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-69.2	142.1	178.7	-13.4	27.7	0	0	0	111.3
245	P	39.2	Very low	34.4	Very low	125 Å²	125	146.6 Å²	146.6	81%	0.812	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-72.1	142.4	179.3	29	-33.9	0	0	0	112.6
246	D	38.2	Very low	34.2	Very low	126 Å²	126	147.8 Å²	147.8	67%	0.674	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-60.6	132.7	-179	-169.9	-16.2	0	0	0	112.8	L248	D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 2.94Å
247	P	48.8	Very low	34.4	Very low	110 Å²	110	148.7 Å²	148.7	71%	0.714	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	7.4	-169.9	-11.6	28.6	0	0	0	117.2
248	L	37.1	Very low	34.3	Very low	151 Å²	151	149.7 Å²	149.7	79%	0.791	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.1	-0.8	-169	-67.6	-176.5	0	0	0	117.1	D246 R250	D246-L248 VanDerWaalsContact C-N 3.32Å; D246-L248 PolarHBondContact O-N 2.94Å; L248-R250 PolarHBondContact O-N 3.36Å
249	M	31.7	Very low	33.6	Very low	177 Å²	177	154.7 Å²	154.7	87%	0.872	78%	0.779	S	S	*	*			trans	-97.6	77.3	172.4	-89	-72	-177.9	0	0	111.7	T251	M249-T251 PolarHBondContact O-N 3.25Å
250	R	33	Very low	33.8	Very low	232 Å²	232	153.9 Å²	153.9	88%	0.875	77%	0.773	S	S	*	*			trans	-83.5	94.4	162.9	-74.7	-175.6	179.4	173.8	0.1	108.9	L248 Y252	L248-R250 PolarHBondContact O-N 3.36Å; R250-Y252 PolarHBondContact O-N 2.97Å
251	T	30.7	Very low	33.2	Very low	93 Å²	93	149.6 Å²	149.6	57%	0.571	77%	0.774	S	S	*	*			trans	-78.1	104.7	164.7	-39.7	0	0	0	0	108.2	M249 T253	M249-T251 PolarHBondContact O-N 3.25Å; T251-T253 PolarHBondContact O-N 3.33Å
252	Y	33.9	Very low	33.1	Very low	199 Å²	199	147 Å²	147	78%	0.78	77%	0.771	S	S	*	*			trans	-25.6	113.3	164	47.9	-84.2	0	0	0	112.9	R250	R250-Y252 PolarHBondContact O-N 2.97Å
253	T	36.2	Very low	33.1	Very low	117 Å²	117	146.1 Å²	146.1	72%	0.718	77%	0.77	S	S	*	*			trans	-103.8	106.6	160.3	-40.5	0	0	0	0	104.8	T251 E255	T251-T253 PolarHBondContact O-N 3.33Å; T253-E255 PolarHBondContact O-N 2.88Å
254	E	31	Very low	32.7	Very low	174 Å²	174	144.9 Å²	144.9	81%	0.813	77%	0.774	S	S	*	*			trans	-71.5	109	172	-76.8	-137.3	141.9	0	0	108.8	I256	E254-I256 PolarHBondContact O-N 3.22Å
255	E	29.4	Very low	32.3	Very low	167 Å²	167	146.8 Å²	146.8	78%	0.78	78%	0.783	S	S	*	*			trans	-78.6	102.7	169.9	-61.4	-85.2	152.9	0	0	107.6	T253 P257	T253-E255 PolarHBondContact O-N 2.88Å; E255-P257 VanDerWaalsContact O-CD 3.26Å; E255-P257 WeakPolarHBondContact O-CD 3.26Å
256	I	30.2	Very low	31.6	Very low	143 Å²	143	143.9 Å²	143.9	73%	0.733	78%	0.776	S	S	*	*			trans	-77.2	117.8	172.6	-62.7	175	0	0	0	108.6	E254 F258	E254-I256 PolarHBondContact O-N 3.22Å; I256-F258 PolarHBondContact O-N 3.4Å
257	P	29.4	Very low	31.2	Very low	110 Å²	110	146.9 Å²	146.9	71%	0.714	79%	0.786	S	S	*	*			trans	-76.5	121.9	-175	-18.7	34.2	0	0	0	113.7	E255 K259	E255-P257 VanDerWaalsContact O-CD 3.26Å; E255-P257 WeakPolarHBondContact O-CD 3.26Å; P257-K259 PolarHBondContact O-N 3.29Å
258	F	29.4	Very low	30.1	Very low	192 Å²	192	147.4 Å²	147.4	84%	0.842	79%	0.787	S	S	*	*			trans	-73.1	109.1	169.1	-99.4	-100	0	0	0	110.7	I256	I256-F258 PolarHBondContact O-N 3.4Å
259	K	29.4	Very low	29.5	Very low	190 Å²	190	148.7 Å²	148.7	83%	0.826	79%	0.789	S	S	*	*			trans	-87.5	109.7	168.6	-67.2	-172.9	179	-177.3	0	109.3	P257 S261	P257-K259 PolarHBondContact O-N 3.29Å; K259-S261 PolarHBondContact O-N 2.88Å
260	H	29.4	Very low	29.4	Very low	165 Å²	165	147.1 Å²	147.1	76%	0.764	79%	0.79	S	S	*	*			trans	-75.4	103.8	166.3	-79.2	-94.2	0	0	0	109.4
261	S	24.8	Very low	29	Very low	119 Å²	119	147.7 Å²	147.7	83%	0.832	79%	0.794	S	S	*	*			trans	-100.7	93	161.8	-71	0	0	0	0	107.9	K259	K259-S261 PolarHBondContact O-N 2.88Å
262	T	30.2	Very low	28.8	Very low	130 Å²	130	146.8 Å²	146.8	80%	0.798	80%	0.803	S	S	*	*			trans	-98.6	115	165.8	26.3	0	0	0	0	108.9
263	S	30.2	Very low	28.6	Very low	117 Å²	117	145.2 Å²	145.2	82%	0.818	81%	0.808	S	S	*	*			trans	-63.6	132.7	177	52	0	0	0	0	111.9
264	A	25.6	Very low	28.1	Very low	102 Å²	102	147 Å²	147	84%	0.843	81%	0.813	S	S	*	*			trans	-78	117.5	173.3	0	0	0	0	0	111.4
265	V	31.5	Very low	27.8	Very low	143 Å²	143	142.5 Å²	142.5	87%	0.867	81%	0.814	S	S	*	*			trans	-144	114.7	151.1	-172.6	0	0	0	0	101.8
266	G	24.7	Very low	27.8	Very low	65 Å²	65	138 Å²	138	67%	0.67	81%	0.812	S	S	*	*				121.6	126.6	52.5	0	0	0	0	0	105.2
267	E	27.8	Very low	27.6	Very low	188 Å²	188	140.7 Å²	140.7	88%	0.879	82%	0.818	S	S	*	*			trans	97.6	99.7	162.7	-57.3	-177.2	174.4	0	0	120.1
268	T	27.5	Very low	28	Very low	122 Å²	122	141 Å²	141	75%	0.748	82%	0.821	S	S	*	*				80.5	93.6	119.3	-43	0	0	0	0	119.6
269	Q	24.5	Very low	27.9	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	82%	0.815	S	S	*	*				15.7	112.9	128.1	-62.7	178.2	15.9	0	0	118.1
270	T	28.5	Very low	28.5	Very low	144 Å²	144	135.6 Å²	135.6	88%	0.883	82%	0.816	S	S	*	*				-151.2	113.6	123.9	46.4	0	0	0	0	109.5
271	Y	25	Very low	28.5	Very low	245 Å²	245	132.5 Å²	132.5	96%	0.961	81%	0.812	S	S	*	*			trans	-69.3	139.5	160.4	-94.1	-101.6	0	0	0	109
272	G	27.2	Very low	29	Very low	74 Å²	74	133.5 Å²	133.5	76%	0.763	81%	0.808	S	S	*	*			trans	161.9	82.1	166.8	0	0	0	0	0	116.9
273	D	29	Very low	28.8	Very low	166 Å²	166	135.9 Å²	135.9	89%	0.888	81%	0.807	S	S	*	*			trans	89.9	127.9	138.1	-149.2	21.3	0	0	0	120.9
274	N	25.8	Very low	29	Very low	153 Å²	153	135 Å²	135	82%	0.818	80%	0.801	S	S	*	*			trans	-83.6	156.9	179.7	-98.2	-40.8	0	0	0	110
275	G	23.7	Very low	29.5	Very low	81 Å²	81	138.4 Å²	138.4	84%	0.835	80%	0.8	S	S	*	*			trans	101.4	92.9	143.7	0	0	0	0	0	114.6
276	G	29.3	Very low	29.3	Very low	72 Å²	72	137.4 Å²	137.4	74%	0.742	79%	0.794	S	S	*	*			trans	-161.1	69.4	170	0	0	0	0	0	111.2	P278	G276-P278 WeakPolarHBondContact O-CD 3.32Å
277	K	27.7	Very low	29.6	Very low	199 Å²	199	141.7 Å²	141.7	87%	0.865	80%	0.8	S	S	*	*			trans	-68.5	130.9	168.6	-146.4	175.4	-167.2	175.6	0	108.5
278	P	37.4	Very low	29.7	Very low	118 Å²	118	137.7 Å²	137.7	77%	0.766	79%	0.794	S	S	*	*			trans	-109	106	148.5	18.9	-0.4	0	0	0	107.8	G276	G276-P278 WeakPolarHBondContact O-CD 3.32Å
279	S	27.8	Very low	30.2	Very low	103 Å²	103	137.9 Å²	137.9	72%	0.72	80%	0.795	S	S	*	*			trans	-89.1	111.1	157.4	172.5	0	0	0	0	106.6
280	I	41	Very low	30.6	Very low	165 Å²	165	135.7 Å²	135.7	85%	0.846	79%	0.793	S	S	*	*			trans	-129.4	107.1	158	39.3	170.8	0	0	0	109
281	S	28.3	Very low	31.2	Very low	99 Å²	99	134.4 Å²	134.4	69%	0.692	79%	0.788	S	S	*	*			trans	-70.9	140.9	163.3	170.9	0	0	0	0	109.6
282	L	36.4	Very low	31.7	Very low	140 Å²	140	132.3 Å²	132.3	73%	0.733	78%	0.784	S	S	*	*			trans	173.4	120.6	130.3	-92.7	157.3	0	0	0	111.7
283	K	26.9	Very low	32.3	Very low	181 Å²	181	133.6 Å²	133.6	79%	0.787	79%	0.787	S	S	*	*			trans	30.1	132.1	134.8	-58.5	174.5	-174.1	175.3	0	117
284	S	32.7	Very low	33.1	Very low	99 Å²	99	129.6 Å²	129.6	69%	0.692	78%	0.777	S	S	*	*				178.8	159.7	60.6	29.4	0	0	0	0	112.6
285	E	36.9	Very low	34.3	Very low	173 Å²	173	126.8 Å²	126.8	81%	0.808	78%	0.775	S	S	*	*			trans	79.1	100	143.3	-72.8	163.1	-159	0	0	122.6
286	T	26.3	Very low	35.9	Very low	122 Å²	122	127.4 Å²	127.4	75%	0.748	77%	0.766	S	S	*	*				38.5	127.3	119.9	-18	0	0	0	0	122.5
287	L	32	Very low	37.7	Very low	154 Å²	154	132.7 Å²	132.7	81%	0.806	77%	0.771	S	S	*	*			trans	107.2	120.7	145.8	-60.9	179.6	0	0	0	119.8
288	S	30.6	Very low	39.6	Very low	105 Å²	105	128 Å²	128	73%	0.734	76%	0.755	S	S	*	*			trans	58.6	112.4	143.5	62.6	0	0	0	0	119.6
289	T	36.4	Very low	41.7	Very low	126 Å²	126	126 Å²	126	77%	0.773	74%	0.74	S	S	*	*				174.6	132.7	114.7	-71	0	0	0	0	108.5	P291	T289-P291 WeakPolarHBondContact O-CD 3.4Å
290	T	33.3	Very low	44.3	Very low	130 Å²	130	125.8 Å²	125.8	80%	0.798	74%	0.739	S	S	*	*			trans	-56.1	115.2	176.6	48.8	0	0	0	0	111.5	K292	T290-K292 PolarHBondContact O-N 3.42Å
291	P	41.1	Very low	46.8	Very low	118 Å²	118	125.4 Å²	125.4	77%	0.766	73%	0.734	S	S	*	*			trans	-82.8	120.4	174.3	29.3	-23.3	0	0	0	109.2	T289 A293	T289-P291 WeakPolarHBondContact O-CD 3.4Å; P291-A293 PolarHBondContact O-N 3.46Å
292	K	35.2	Very low	49.9	Very low	201 Å²	201	124.5 Å²	124.5	87%	0.874	72%	0.718	S	S	*	*			trans	-30.2	126.1	152.8	-177.4	170.2	-175.9	173.2	0	109.5	T290 A294	T290-K292 PolarHBondContact O-N 3.42Å; K292-A294 VanDerWaalsContact C-N 3.27Å; K292-A294 PolarHBondContact O-N 3.47Å
293	A	41	Very low	52.6	Low	100 Å²	100	125.8 Å²	125.8	83%	0.826	71%	0.713	S	S	*	*			trans	-44.6	85.2	-172.3	0	0	0	0	0	112.7	P291 A295	P291-A293 PolarHBondContact O-N 3.46Å; A293-A295 PolarHBondContact O-N 3.23Å
294	A	45.7	Very low	55.8	Low	82 Å²	82	121.6 Å²	121.6	68%	0.678	70%	0.7	S	S	*	*			trans	-62.6	125	161.6	0	0	0	0	0	104.2	K292 C296	K292-A294 VanDerWaalsContact C-N 3.27Å; K292-A294 PolarHBondContact O-N 3.47Å; A294-C296 VanDerWaalsContact C-N 3.3Å; A294-C296 PolarHBondContact O-N 2.79Å
295	A	49.8	Very low	58.8	Low	95 Å²	95	119.2 Å²	119.2	79%	0.785	68%	0.683	S	S	*	*			trans	-47.1	105.3	168.5	0	0	0	0	0	106.5	A293 E297	A293-A295 PolarHBondContact O-N 3.23Å; A295-E297 VanDerWaalsContact C-N 3.34Å; A295-E297 PolarHBondContact O-N 3.14Å
296	C	58.7	Low	61.5	Low	94 Å²	94	112.9 Å²	112.9	64%	0.635	66%	0.66	S	S	*	*			trans	-64.9	105.5	179.6	-167.4	0	0	0	0	104.2	A294 L298	A294-C296 VanDerWaalsContact C-N 3.3Å; A294-C296 PolarHBondContact O-N 2.79Å; C296-L298 PolarHBondContact O-N 2.95Å
297	E	65.3	Low	64.8	Low	183 Å²	183	111 Å²	111	86%	0.855	65%	0.645	S	S	*	*			trans	-61.7	91.5	164	-70.7	-158.5	168.6	0	0	105.4	A295 T299	A295-E297 VanDerWaalsContact C-N 3.34Å; A295-E297 PolarHBondContact O-N 3.14Å; E297-T299 PolarHBondContact O-N 3.16Å; E297-T299 VanDerWaalsContact O-N 3.08Å
298	L	67.8	Low	67.9	Low	100 Å²	100	108.8 Å²	108.8	52%	0.524	63%	0.634	S	S	.	*			trans	-52.3	122.6	-179.8	-70.6	170.1	0	0	0	106.5	C296 S300 E302	C296-L298 PolarHBondContact O-N 2.95Å; L298-S300 PolarHBondContact O-N 3.47Å; L298-E302 WeakPolarHBondContact CA-OE2 3.19Å; L298-E302 HydrophobicContact CB-CB 4.21Å; L298-E302 HydrophobicContact CD2-CB 4.12Å
299	T	82.8	Confident	71	Confident	76 Å²	76	111.8 Å²	111.8	47%	0.466	63%	0.629	S	S	.	*			trans	-50.5	143.2	173.3	60.1	0	0	0	0	108	E297 Q301 E302 R303	E297-T299 PolarHBondContact O-N 3.16Å; E297-T299 VanDerWaalsContact O-N 3.08Å; T299-Q301 CarbonylContact O-C 3.41Å; T299-Q301 PolarHBondContact O-N 2.75Å; T299-E302 PolarHBondContact N-OE2 3.48Å; T299-E302 WeakPolarHBondContact O-CA 3.36Å; T299-E302 WeakPolarHBondContact O-CB 3.41Å; T299-E302 PolarHBondContact O-N 3.05Å; T299-E302 WeakPolarHBondContact OG1-CB 3.29Å; T299-E302 VanDerWaalsContact OG1-CD 3.29Å; T299-E302 WeakPolarHBondContact OG1-CG 3.42Å; T299-E302 PolarHBondContact OG1-N 2.68Å; T299-E302 PolarHBondContact OG1-OE2 3.42Å; T299-R303 PolarHBondContact O-N 2.91Å; T299-R303 VanDerWaalsContact O-N 3.1Å
300	S	82.7	Confident	73.9	Confident	98 Å²	98	111.8 Å²	111.8	69%	0.685	62%	0.615	S	S	*	*	H	α-helix	trans	-49.5	-33.9	179.8	-55.1	0	0	0	0	111.7	L298 R303 D304	L298-S300 PolarHBondContact O-N 3.47Å; S300-R303 WeakPolarHBondContact O-CB 3.48Å; S300-R303 PolarHBondContact O-N 3.4Å; S300-D304 VanDerWaalsContact O-CG 3.31Å; S300-D304 PolarHBondContact O-N 2.78Å
301	Q	92.3	Very high	76.8	Confident	158 Å²	158	111.7 Å²	111.7	74%	0.738	60%	0.604	S	S	*	*	H	α-helix	trans	-64	-43.8	173.7	-173.8	175.8	-0.7	0	0	114.3	T299 R303 D304 S305	T299-Q301 CarbonylContact O-C 3.41Å; T299-Q301 PolarHBondContact O-N 2.75Å; Q301-R303 VanDerWaalsContact C-N 3.31Å; Q301-R303 PolarHBondContact O-N 3.45Å; Q301-D304 PolarHBondContact O-N 3.04Å; Q301-S305 WeakPolarHBondContact O-CB 3.48Å; Q301-S305 PolarHBondContact O-N 2.87Å
302	E	93.1	Very high	79.4	Confident	80 Å²	80	112 Å²	112	37%	0.374	60%	0.595	S	S	.	*	H	α-helix	trans	-63.3	-40	175.1	-76.6	166.5	138.1	0	0	111.2	L298 T299 S305 A306	L298-E302 WeakPolarHBondContact CA-OE2 3.19Å; L298-E302 HydrophobicContact CB-CB 4.21Å; L298-E302 HydrophobicContact CD2-CB 4.12Å; T299-E302 PolarHBondContact N-OE2 3.48Å; T299-E302 WeakPolarHBondContact O-CA 3.36Å; T299-E302 WeakPolarHBondContact O-CB 3.41Å; T299-E302 PolarHBondContact O-N 3.05Å; T299-E302 WeakPolarHBondContact OG1-CB 3.29Å; T299-E302 VanDerWaalsContact OG1-CD 3.29Å; T299-E302 WeakPolarHBondContact OG1-CG 3.42Å; T299-E302 PolarHBondContact OG1-N 2.68Å; T299-E302 PolarHBondContact OG1-OE2 3.42Å; E302-S305 PolarHBondContact O-N 3.34Å; E302-S305 PolarHBondContact O-OG 3.14Å; E302-A306 WeakPolarHBondContact O-CB 3.24Å; E302-A306 PolarHBondContact O-N 2.78Å
303	R	93.8	Very high	82.3	Confident	166 Å²	166	109.3 Å²	109.3	63%	0.626	58%	0.583	S	S	*	*	H	α-helix	trans	-60.4	-48.4	175.3	-163.9	-175.7	-175.8	92.5	-1.1	110.9	T299 S300 Q301 S305 A306 L307	T299-R303 PolarHBondContact O-N 2.91Å; T299-R303 VanDerWaalsContact O-N 3.1Å; S300-R303 WeakPolarHBondContact O-CB 3.48Å; S300-R303 PolarHBondContact O-N 3.4Å; Q301-R303 VanDerWaalsContact C-N 3.31Å; Q301-R303 PolarHBondContact O-N 3.45Å; R303-S305 VanDerWaalsContact C-N 3.34Å; R303-S305 PolarHBondContact O-N 3.31Å; R303-A306 WeakPolarHBondContact O-CB 3.49Å; R303-A306 PolarHBondContact O-N 3.01Å; R303-L307 WeakPolarHBondContact O-CG 3.48Å; R303-L307 PolarHBondContact O-N 3.44Å
304	D	94.4	Very high	84.7	Confident	94 Å²	94	109.9 Å²	109.9	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-39.1	177.9	-70.4	-23.7	0	0	0	112.3	S300 Q301 A306 L307 L308	S300-D304 VanDerWaalsContact O-CG 3.31Å; S300-D304 PolarHBondContact O-N 2.78Å; Q301-D304 PolarHBondContact O-N 3.04Å; D304-A306 VanDerWaalsContact C-N 3.34Å; D304-A306 PolarHBondContact O-N 3.49Å; D304-L307 PolarHBondContact O-N 3.28Å; D304-L308 PolarHBondContact O-N 3.36Å
305	S	95.5	Very high	86.7	Confident	48 Å²	48	115 Å²	115	34%	0.336	57%	0.574	S	S	.	*	H	α-helix	trans	-63.8	-38	174.6	84	0	0	0	0	112.4	Q301 E302 R303 L308 R309	Q301-S305 WeakPolarHBondContact O-CB 3.48Å; Q301-S305 PolarHBondContact O-N 2.87Å; E302-S305 PolarHBondContact O-N 3.34Å; E302-S305 PolarHBondContact O-OG 3.14Å; R303-S305 VanDerWaalsContact C-N 3.34Å; R303-S305 PolarHBondContact O-N 3.31Å; S305-L308 PolarHBondContact O-N 2.91Å; S305-R309 WeakPolarHBondContact O-CG 3.46Å; S305-R309 PolarHBondContact O-N 3.28Å
306	A	94.5	Very high	88.4	Confident	40 Å²	40	115.3 Å²	115.3	33%	0.331	57%	0.567	S	S	.	*	H	α-helix	trans	-67.6	-40.9	176.1	0	0	0	0	0	111.1	E302 R303 D304 R309 Y310	E302-A306 WeakPolarHBondContact O-CB 3.24Å; E302-A306 PolarHBondContact O-N 2.78Å; R303-A306 WeakPolarHBondContact O-CB 3.49Å; R303-A306 PolarHBondContact O-N 3.01Å; D304-A306 VanDerWaalsContact C-N 3.34Å; D304-A306 PolarHBondContact O-N 3.49Å; A306-R309 PolarHBondContact O-N 2.86Å; A306-Y310 WeakPolarHBondContact O-CB 3.05Å; A306-Y310 PolarHBondContact O-N 2.84Å
307	L	95.2	Very high	89.6	Confident	83 Å²	83	116 Å²	116	44%	0.435	56%	0.556	S	S	.	*	H	α-helix	trans	-63.2	-39.7	174.1	-68.8	175.6	0	0	0	112.1	R303 D304 Y310 K311	R303-L307 WeakPolarHBondContact O-CG 3.48Å; R303-L307 PolarHBondContact O-N 3.44Å; D304-L307 PolarHBondContact O-N 3.28Å; L307-Y310 PolarHBondContact O-N 3.34Å; L307-K311 WeakPolarHBondContact O-CB 3.28Å; L307-K311 WeakPolarHBondContact O-CG 3.4Å; L307-K311 PolarHBondContact O-N 2.89Å
308	L	96.8	Very high	90.1	Very high	108 Å²	108	116.3 Å²	116.3	57%	0.565	55%	0.549	S	S	*	.	H	α-helix	trans	-63.7	-47.1	174.2	-79.9	167.4	0	0	0	112.2	D304 S305 Y310 K311 Q312	D304-L308 PolarHBondContact O-N 3.36Å; S305-L308 PolarHBondContact O-N 2.91Å; L308-Y310 VanDerWaalsContact C-N 3.29Å; L308-Y310 PolarHBondContact O-N 3.33Å; L308-K311 PolarHBondContact O-N 3.24Å; L308-Q312 WeakPolarHBondContact O-CB 3.27Å; L308-Q312 WeakPolarHBondContact O-CG 3.28Å; L308-Q312 PolarHBondContact O-N 2.75Å
309	R	96.1	Very high	90.3	Very high	167 Å²	167	119.3 Å²	119.3	63%	0.63	56%	0.558	S	S	*	*	H	α-helix	trans	-59.4	-41	174.7	-73.9	-174	-68.1	171.5	-2	111.6	S305 A306 K313	S305-R309 WeakPolarHBondContact O-CG 3.46Å; S305-R309 PolarHBondContact O-N 3.28Å; A306-R309 PolarHBondContact O-N 2.86Å; R309-K313 WeakPolarHBondContact O-CB 3.39Å; R309-K313 PolarHBondContact O-N 3.46Å
310	Y	96	Very high	89.7	Confident	126 Å²	126	123.3 Å²	123.3	49%	0.494	58%	0.577	S	S	.	*	H	α-helix	trans	-62.1	-48.4	175.4	175.2	-100.2	0	0	0	111.9	A306 L307 L308 K313 K314	A306-Y310 WeakPolarHBondContact O-CB 3.05Å; A306-Y310 PolarHBondContact O-N 2.84Å; L307-Y310 PolarHBondContact O-N 3.34Å; L308-Y310 VanDerWaalsContact C-N 3.29Å; L308-Y310 PolarHBondContact O-N 3.33Å; Y310-K313 PolarHBondContact O-N 3.24Å; Y310-K314 HydrophobicContact CE1-CD 4.48Å; Y310-K314 WeakPolarHBondContact O-CB 3.31Å; Y310-K314 PolarHBondContact O-N 3.06Å
311	K	95.8	Very high	88.9	Confident	129 Å²	129	124.6 Å²	124.6	56%	0.561	57%	0.57	S	S	*	*	H	α-helix	trans	-62	-44.9	177.9	-74.3	175.4	-179.4	179	0	111.7	L307 L308 K314 K315	L307-K311 WeakPolarHBondContact O-CB 3.28Å; L307-K311 WeakPolarHBondContact O-CG 3.4Å; L307-K311 PolarHBondContact O-N 2.89Å; L308-K311 PolarHBondContact O-N 3.24Å; K311-K314 PolarHBondContact O-N 3.24Å; K311-K315 WeakPolarHBondContact O-CG 3.48Å; K311-K315 PolarHBondContact O-N 2.95Å
312	Q	95.6	Very high	87.8	Confident	125 Å²	125	124.8 Å²	124.8	58%	0.584	57%	0.571	S	S	*	*	H	α-helix	trans	-62.7	-49.5	175.4	-75.5	179	-23.6	0	0	111.4	L308 K314 K315 T316	L308-Q312 WeakPolarHBondContact O-CB 3.27Å; L308-Q312 WeakPolarHBondContact O-CG 3.28Å; L308-Q312 PolarHBondContact O-N 2.75Å; Q312-K314 VanDerWaalsContact C-N 3.28Å; Q312-K314 PolarHBondContact O-N 3.42Å; Q312-K315 PolarHBondContact O-N 2.73Å; Q312-K315 VanDerWaalsContact O-N 3.11Å; Q312-T316 WeakPolarHBondContact O-CG2 3.29Å; Q312-T316 PolarHBondContact O-N 2.91Å; Q312-T316 PolarHBondContact O-OG1 3.08Å
313	K	95.5	Very high	86.5	Confident	143 Å²	143	126.1 Å²	126.1	62%	0.622	58%	0.579	S	S	*	*	H	α-helix	trans	-55.3	-46.5	176.1	-172.5	173.7	-176.9	178.2	0	110.2	R309 Y310 T316 R317	R309-K313 WeakPolarHBondContact O-CB 3.39Å; R309-K313 PolarHBondContact O-N 3.46Å; Y310-K313 PolarHBondContact O-N 3.24Å; K313-T316 WeakPolarHBondContact CA-OG1 3.47Å; K313-T316 CarbonylContact O-C 3.52Å; K313-T316 PolarHBondContact O-N 2.99Å; K313-T316 VanDerWaalsContact O-N 3.16Å; K313-T316 PolarHBondContact O-OG1 3.44Å; K313-R317 VanDerWaalsContact O-CG 3.3Å; K313-R317 WeakPolarHBondContact O-CG 3.35Å; K313-R317 PolarHBondContact O-N 3.09Å
314	K	91.3	Very high	85.5	Confident	113 Å²	113	123.5 Å²	123.5	49%	0.491	57%	0.569	S	S	.	*	H	α-helix	trans	-57.4	-47	175.9	-169.9	177	179.7	-178.7	0	112.2	Y310 K311 Q312 T316 R317	Y310-K314 HydrophobicContact CE1-CD 4.48Å; Y310-K314 WeakPolarHBondContact O-CB 3.31Å; Y310-K314 PolarHBondContact O-N 3.06Å; K311-K314 PolarHBondContact O-N 3.24Å; Q312-K314 VanDerWaalsContact C-N 3.28Å; Q312-K314 PolarHBondContact O-N 3.42Å; K314-T316 VanDerWaalsContact C-N 3.3Å; K314-T316 PolarHBondContact O-N 2.99Å; K314-R317 VanDerWaalsContact O-CB 3.32Å; K314-R317 WeakPolarHBondContact O-CB 3.48Å; K314-R317 PolarHBondContact O-N 3.18Å; K314-R317 VanDerWaalsContact O-N 3.16Å
315	K	88.3	Confident	84.6	Confident	189 Å²	189	127 Å²	127	82%	0.822	58%	0.576	S	S	*	*	H	α-helix	trans	-63.1	-33.1	175.3	-70.8	179.9	179.8	-171.9	0	113	K311 Q312 R317	K311-K315 WeakPolarHBondContact O-CG 3.48Å; K311-K315 PolarHBondContact O-N 2.95Å; Q312-K315 PolarHBondContact O-N 2.73Å; Q312-K315 VanDerWaalsContact O-N 3.11Å; K315-R317 VanDerWaalsContact C-N 3.34Å
316	T	85.8	Confident	83.9	Confident	101 Å²	101	131.3 Å²	131.3	62%	0.62	59%	0.592	S	S	*	*	H	α-helix	trans	-83.4	-5	176	63.8	0	0	0	0	114.3	Q312 K313 K314 R318	Q312-T316 WeakPolarHBondContact O-CG2 3.29Å; Q312-T316 PolarHBondContact O-N 2.91Å; Q312-T316 PolarHBondContact O-OG1 3.08Å; K313-T316 WeakPolarHBondContact CA-OG1 3.47Å; K313-T316 CarbonylContact O-C 3.52Å; K313-T316 PolarHBondContact O-N 2.99Å; K313-T316 VanDerWaalsContact O-N 3.16Å; K313-T316 PolarHBondContact O-OG1 3.44Å; K314-T316 VanDerWaalsContact C-N 3.3Å; K314-T316 PolarHBondContact O-N 2.99Å; T316-R318 PolarHBondContact O-N 3.22Å; T316-R318 VanDerWaalsContact O-N 3.08Å
317	R	83.6	Confident	83.5	Confident	109 Å²	109	131.7 Å²	131.7	41%	0.411	59%	0.592	S	S	.	*			trans	-65.2	113.6	174.5	-65.9	179.7	-168.2	-168	3.3	107.3	K313 K314 K315 F319	K313-R317 VanDerWaalsContact O-CG 3.3Å; K313-R317 WeakPolarHBondContact O-CG 3.35Å; K313-R317 PolarHBondContact O-N 3.09Å; K314-R317 VanDerWaalsContact O-CB 3.32Å; K314-R317 WeakPolarHBondContact O-CB 3.48Å; K314-R317 PolarHBondContact O-N 3.18Å; K314-R317 VanDerWaalsContact O-N 3.16Å; K315-R317 VanDerWaalsContact C-N 3.34Å; R317-F319 HydrophobicContact CB-CD2 4.38Å; R317-F319 HydrophobicContact CB-CE1 4.37Å; R317-F319 HydrophobicContact CB-CE2 3.79Å; R317-F319 HydrophobicContact CB-CZ 3.79Å; R317-F319 WeakPolarHBondContact O-CD2 3.42Å; R317-F319 PolarHBondContact O-N 3.16Å
318	R	74.6	Confident	83.1	Confident	190 Å²	190	135.2 Å²	135.2	72%	0.717	60%	0.599	S	S	*	*			trans	-89.8	96.7	174.3	-58.4	-145.4	-172.2	-139.4	-0.9	108.1	T316 D320 K321	T316-R318 PolarHBondContact O-N 3.22Å; T316-R318 VanDerWaalsContact O-N 3.08Å; R318-D320 VanDerWaalsContact C-N 3.27Å; R318-K321 HydrophobicContact CB-CD 3.86Å; R318-K321 HydrophobicContact CB-CG 3.69Å; R318-K321 PolarHBondContact O-N 2.95Å
319	F	72.9	Confident	82.8	Confident	162 Å²	162	136.1 Å²	136.1	71%	0.711	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-29	178.8	-63.3	-79.7	0	0	0	111.9	R317 K321	R317-F319 HydrophobicContact CB-CD2 4.38Å; R317-F319 HydrophobicContact CB-CE1 4.37Å; R317-F319 HydrophobicContact CB-CE2 3.79Å; R317-F319 HydrophobicContact CB-CZ 3.79Å; R317-F319 WeakPolarHBondContact O-CD2 3.42Å; R317-F319 PolarHBondContact O-N 3.16Å; F319-K321 PolarHBondContact O-N 3.22Å
320	D	70	Confident	82.5	Confident	161 Å²	161	132.6 Å²	132.6	86%	0.861	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	3.9	177.4	-58.9	-38.4	0	0	0	114.8	R318 H322	R318-D320 VanDerWaalsContact C-N 3.27Å; D320-H322 VanDerWaalsContact C-N 3.25Å; D320-H322 PolarHBondContact O-N 3.28Å
321	K	65.9	Low	82.2	Confident	124 Å²	124	133.1 Å²	133.1	54%	0.539	60%	0.596	S	S	.	*			trans	-73.4	88.2	173.1	-75.7	-174.4	-175	-175	0	108.8	R318 F319	R318-K321 HydrophobicContact CB-CD 3.86Å; R318-K321 HydrophobicContact CB-CG 3.69Å; R318-K321 PolarHBondContact O-N 2.95Å; F319-K321 PolarHBondContact O-N 3.22Å
322	H	69.9	Low	82	Confident	162 Å²	162	128.5 Å²	128.5	75%	0.75	58%	0.582	S	S	*	*			trans	-50.8	141.9	164.8	-162.5	72.8	0	0	0	109.7	D320 R324	D320-H322 VanDerWaalsContact C-N 3.25Å; D320-H322 PolarHBondContact O-N 3.28Å; H322-R324 PolarHBondContact O-N 2.85Å
323	I	64.7	Low	81.8	Confident	108 Å²	108	128.4 Å²	128.4	55%	0.554	58%	0.582	S	S	*	*			trans	-31.5	95.9	-175.9	-70.1	-79.3	0	0	0	111.2	Y325	I323-Y325 HydrophobicContact CB-CD2 4.45Å; I323-Y325 HydrophobicContact CD1-CD2 4.18Å; I323-Y325 HydrophobicContact CD1-CE2 4.31Å; I323-Y325 HydrophobicContact CG2-CD2 3.61Å; I323-Y325 HydrophobicContact CG2-CG 4.1Å; I323-Y325 PolarHBondContact O-N 3.43Å
324	R	74.3	Confident	81.7	Confident	112 Å²	112	125.9 Å²	125.9	42%	0.423	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.5	2.9	178	-155.8	-174	-159.6	84.6	-1	112.6	H322 E326 S327 R328	H322-R324 PolarHBondContact O-N 2.85Å; R324-E326 VanDerWaalsContact C-N 3.28Å; R324-E326 PolarHBondContact O-N 3.33Å; R324-S327 PolarHBondContact O-N 3.29Å; R324-S327 VanDerWaalsContact O-N 3.16Å; R324-R328 HydrophobicContact CB-CG 4.47Å; R324-R328 HydrophobicContact CG-CG 4.21Å; R324-R328 WeakPolarHBondContact O-CB 3.24Å; R324-R328 WeakPolarHBondContact O-CG 3.27Å; R324-R328 PolarHBondContact O-N 2.86Å
325	Y	74.8	Confident	81.7	Confident	166 Å²	166	127 Å²	127	65%	0.651	58%	0.583	S	S	*	*	H	α-helix	trans	-64.3	-33.4	-174.1	-77.8	-93.4	0	0	0	111.5	I323 R328 K329	I323-Y325 HydrophobicContact CB-CD2 4.45Å; I323-Y325 HydrophobicContact CD1-CD2 4.18Å; I323-Y325 HydrophobicContact CD1-CE2 4.31Å; I323-Y325 HydrophobicContact CG2-CD2 3.61Å; I323-Y325 HydrophobicContact CG2-CG 4.1Å; I323-Y325 PolarHBondContact O-N 3.43Å; Y325-R328 PolarHBondContact O-N 3.05Å; Y325-K329 WeakPolarHBondContact O-CA 3Å; Y325-K329 WeakPolarHBondContact O-CB 3.5Å; Y325-K329 PolarHBondContact O-N 3.35Å
326	E	80.1	Confident	81.9	Confident	140 Å²	140	123.3 Å²	123.3	65%	0.654	58%	0.576	S	S	*	*	H	α-helix	trans	-59.1	-51.7	169.9	66.4	-174.2	172.2	0	0	111.1	R324 R328 K329 V330	R324-E326 VanDerWaalsContact C-N 3.28Å; R324-E326 PolarHBondContact O-N 3.33Å; E326-R328 PolarHBondContact O-N 3.25Å; E326-K329 PolarHBondContact O-N 3.27Å; E326-V330 VanDerWaalsContact O-CG2 3.31Å; E326-V330 WeakPolarHBondContact O-CG2 3.22Å; E326-V330 PolarHBondContact O-N 2.85Å
327	S	87.1	Confident	82.3	Confident	47 Å²	47	124.4 Å²	124.4	33%	0.329	57%	0.569	S	S	.	*	H	α-helix	trans	-66.5	-37.6	-179.4	171.1	0	0	0	0	112.4	R324 R331	R324-S327 PolarHBondContact O-N 3.29Å; R324-S327 VanDerWaalsContact O-N 3.16Å; S327-R331 VanDerWaalsContact O-CB 3.3Å; S327-R331 WeakPolarHBondContact O-CB 3.49Å; S327-R331 PolarHBondContact O-N 2.82Å
328	R	87.1	Confident	82.7	Confident	157 Å²	157	124 Å²	124	59%	0.592	58%	0.578	S	S	*	*	H	α-helix	trans	-70.9	-36.8	176.3	-72.5	-179.2	-168.6	-81.9	4.3	111.3	R324 Y325 E326 A332	R324-R328 HydrophobicContact CB-CG 4.47Å; R324-R328 HydrophobicContact CG-CG 4.21Å; R324-R328 WeakPolarHBondContact O-CB 3.24Å; R324-R328 WeakPolarHBondContact O-CG 3.27Å; R324-R328 PolarHBondContact O-N 2.86Å; Y325-R328 PolarHBondContact O-N 3.05Å; E326-R328 PolarHBondContact O-N 3.25Å; R328-A332 WeakPolarHBondContact O-CB 3.27Å; R328-A332 PolarHBondContact O-N 3.35Å
329	K	89.4	Confident	83.5	Confident	128 Å²	128	124.8 Å²	124.8	56%	0.557	59%	0.587	S	S	*	*	H	α-helix	trans	-65.2	-52.8	175.7	-179.8	173.4	176.5	-178.3	0	110	Y325 E326 R331 A332 E333	Y325-K329 WeakPolarHBondContact O-CA 3Å; Y325-K329 WeakPolarHBondContact O-CB 3.5Å; Y325-K329 PolarHBondContact O-N 3.35Å; E326-K329 PolarHBondContact O-N 3.27Å; K329-R331 VanDerWaalsContact C-N 3.29Å; K329-R331 PolarHBondContact O-N 2.96Å; K329-A332 CarbonylContact O-C 3.44Å; K329-A332 WeakPolarHBondContact O-CA 3.45Å; K329-A332 PolarHBondContact O-N 3.02Å; K329-E333 WeakPolarHBondContact CE-OE1 3.44Å; K329-E333 HydrophobicContact CG-CG 4.32Å; K329-E333 WeakPolarHBondContact CG-OE1 3.33Å; K329-E333 IonicContact NZ-OE1 2.78Å; K329-E333 WeakPolarHBondContact O-CB 3.32Å; K329-E333 WeakPolarHBondContact O-CG 3.42Å; K329-E333 PolarHBondContact O-N 3.47Å
330	V	90	Very high	84.4	Confident	92 Å²	92	119.8 Å²	119.8	56%	0.558	58%	0.581	S	S	*	*	H	α-helix	trans	-55.2	-44.9	175.2	173.9	0	0	0	0	111.3	E326 A332 E333 S334	E326-V330 VanDerWaalsContact O-CG2 3.31Å; E326-V330 WeakPolarHBondContact O-CG2 3.22Å; E326-V330 PolarHBondContact O-N 2.85Å; V330-A332 VanDerWaalsContact C-N 3.34Å; V330-A332 PolarHBondContact O-N 3.03Å; V330-E333 PolarHBondContact O-N 3.08Å; V330-S334 WeakPolarHBondContact O-CB 3.33Å; V330-S334 PolarHBondContact O-N 2.99Å; V330-S334 PolarHBondContact O-OG 3.28Å
331	R	90.2	Very high	85.4	Confident	138 Å²	138	121.9 Å²	121.9	52%	0.521	58%	0.577	S	S	.	*	H	α-helix	trans	-67.5	-31.1	176.3	-179.3	175.5	-85.9	113.4	-6.7	113.4	S327 K329 S334 R335	S327-R331 VanDerWaalsContact O-CB 3.3Å; S327-R331 WeakPolarHBondContact O-CB 3.49Å; S327-R331 PolarHBondContact O-N 2.82Å; K329-R331 VanDerWaalsContact C-N 3.29Å; K329-R331 PolarHBondContact O-N 2.96Å; R331-S334 PolarHBondContact O-OG 3.44Å; R331-R335 VanDerWaalsContact O-CG 3.3Å; R331-R335 WeakPolarHBondContact O-CG 3.5Å
332	A	91.2	Very high	86.8	Confident	31 Å²	31	120.3 Å²	120.3	26%	0.256	57%	0.57	S	S	.	*	H	α-helix	trans	-79.7	-26.5	177.4	0	0	0	0	0	112.4	R328 K329 V330 R337 F342	R328-A332 WeakPolarHBondContact O-CB 3.27Å; R328-A332 PolarHBondContact O-N 3.35Å; K329-A332 CarbonylContact O-C 3.44Å; K329-A332 WeakPolarHBondContact O-CA 3.45Å; K329-A332 PolarHBondContact O-N 3.02Å; V330-A332 VanDerWaalsContact C-N 3.34Å; V330-A332 PolarHBondContact O-N 3.03Å; A332-R337 PolarHBondContact O-NH2 3.4Å; A332-F342 HydrophobicContact CB-CZ 4.15Å; A332-F342 WeakPolarHBondContact O-CE1 3.26Å
333	E	91.5	Very high	87.8	Confident	123 Å²	123	114.7 Å²	114.7	58%	0.575	55%	0.552	S	S	*	*	H	α-helix	trans	-79.1	-37.1	174.4	-72.7	170.6	167.4	0	0	111.2	K329 V330 R335	K329-E333 WeakPolarHBondContact CE-OE1 3.44Å; K329-E333 HydrophobicContact CG-CG 4.32Å; K329-E333 WeakPolarHBondContact CG-OE1 3.33Å; K329-E333 IonicContact NZ-OE1 2.78Å; K329-E333 WeakPolarHBondContact O-CB 3.32Å; K329-E333 WeakPolarHBondContact O-CG 3.42Å; K329-E333 PolarHBondContact O-N 3.47Å; V330-E333 PolarHBondContact O-N 3.08Å; E333-R335 VanDerWaalsContact C-N 3.29Å; E333-R335 PolarHBondContact O-N 2.98Å
334	S	92.5	Very high	89	Confident	91 Å²	91	119.1 Å²	119.1	64%	0.636	57%	0.567	S	S	*	*	S	Bend	trans	-75.6	-12	178.3	70	0	0	0	0	114.9	V330 R331	V330-S334 WeakPolarHBondContact O-CB 3.33Å; V330-S334 PolarHBondContact O-N 2.99Å; V330-S334 PolarHBondContact O-OG 3.28Å; R331-S334 PolarHBondContact O-OG 3.44Å
335	R	92	Very high	89.3	Confident	137 Å²	137	122.4 Å²	122.4	52%	0.517	59%	0.59	S	S	.	*	S	Bend	trans	-81.2	132.6	179.4	-84.4	175.9	173.1	-162.2	-3.9	111.4	R331 E333 F342	R331-R335 VanDerWaalsContact O-CG 3.3Å; R331-R335 WeakPolarHBondContact O-CG 3.5Å; E333-R335 VanDerWaalsContact C-N 3.29Å; E333-R335 PolarHBondContact O-N 2.98Å; R335-F342 HydrophobicContact CB-CD1 3.6Å; R335-F342 HydrophobicContact CB-CE1 3.68Å; R335-F342 HydrophobicContact CG-CD1 4.48Å
336	V	92.4	Very high	89.5	Confident	110 Å²	110	123.3 Å²	123.3	67%	0.667	60%	0.599	S	S	*	*			trans	-58.3	136.3	175.1	-178.1	0	0	0	0	110.8	F342 A343	V336-F342 WeakPolarHBondContact O-CA 3.46Å; V336-A343 HydrophobicContact CB-CB 4.14Å; V336-A343 HydrophobicContact CG1-CB 3.95Å; V336-A343 PolarHBondContact O-N 3.46Å
337	R	93.6	Very high	89.1	Confident	125 Å²	125	125.2 Å²	125.2	47%	0.472	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.4	138.6	178.4	-65.3	176.4	-174.7	-113.4	5.2	111.4	A332 G340 R341 F342	A332-R337 PolarHBondContact O-NH2 3.4Å; R337-G340 PolarHBondContact NH1-O 2.92Å; R337-R341 CarbonylContact C-O 3.43Å; R337-R341 WeakPolarHBondContact CA-O 3.25Å; R337-R341 WeakPolarHBondContact CB-O 3.38Å; R337-F342 HydrophobicContact CG-CD1 4.01Å; R337-F342 HydrophobicContact CG-CE1 4.38Å; R337-F342 VanDerWaalsContact CZ-CE1 3.49Å
338	V	92.4	Very high	88	Confident	100 Å²	100	131.9 Å²	131.9	61%	0.606	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.9	119.4	169.6	-178.6	0	0	0	0	107.1	G340 R341 A343	V338-G340 VanDerWaalsContact C-N 3.27Å; V338-G340 PolarHBondContact O-N 2.95Å; V338-R341 PolarHBondContact N-O 3.02Å; V338-R341 PolarHBondContact O-N 3.2Å; V338-A343 HydrophobicContact CG2-CB 4.15Å
339	K	92.4	Very high	86.5	Confident	207 Å²	207	136.7 Å²	136.7	90%	0.9	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	51	44.8	-179.3	-161.5	173.7	-179.7	172.1	0	112.9	R341	K339-R341 VanDerWaalsContact C-N 3.25Å; K339-R341 PolarHBondContact O-N 2.92Å
340	G	90.1	Very high	86.4	Confident	57 Å²	57	137.1 Å²	137.1	59%	0.588	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.7	-9.2	178.9	0	0	0	0	0	116.1	R337 V338	R337-G340 PolarHBondContact NH1-O 2.92Å; V338-G340 VanDerWaalsContact C-N 3.27Å; V338-G340 PolarHBondContact O-N 2.95Å
341	R	92	Very high	86.2	Confident	204 Å²	204	139.5 Å²	139.5	77%	0.77	67%	0.674	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.2	149	177.8	-61.1	-178.9	-179.1	-109.6	-0.1	110.4	R337 V338 K339 A343	R337-R341 CarbonylContact C-O 3.43Å; R337-R341 WeakPolarHBondContact CA-O 3.25Å; R337-R341 WeakPolarHBondContact CB-O 3.38Å; V338-R341 PolarHBondContact N-O 3.02Å; V338-R341 PolarHBondContact O-N 3.2Å; K339-R341 VanDerWaalsContact C-N 3.25Å; K339-R341 PolarHBondContact O-N 2.92Å; R341-A343 PolarHBondContact O-N 3.28Å
342	F	95.4	Very high	85.9	Confident	92 Å²	92	139.6 Å²	139.6	40%	0.404	68%	0.682	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-60.9	134.9	173.4	-63.4	-53	0	0	0	110.8	A332 R335 V336 R337 K344	A332-F342 HydrophobicContact CB-CZ 4.15Å; A332-F342 WeakPolarHBondContact O-CE1 3.26Å; R335-F342 HydrophobicContact CB-CD1 3.6Å; R335-F342 HydrophobicContact CB-CE1 3.68Å; R335-F342 HydrophobicContact CG-CD1 4.48Å; V336-F342 WeakPolarHBondContact O-CA 3.46Å; R337-F342 HydrophobicContact CG-CD1 4.01Å; R337-F342 HydrophobicContact CG-CE1 4.38Å; R337-F342 VanDerWaalsContact CZ-CE1 3.49Å; F342-K344 PolarHBondContact O-N 3.33Å
343	A	91.1	Very high	85.6	Confident	44 Å²	44	145.9 Å²	145.9	36%	0.364	71%	0.707	S	S	.	*	P	Polyproline II helix	trans	-64.1	132.7	172.7	0	0	0	0	0	109.6	V336 V338 R341	V336-A343 HydrophobicContact CB-CB 4.14Å; V336-A343 HydrophobicContact CG1-CB 3.95Å; V336-A343 PolarHBondContact O-N 3.46Å; V338-A343 HydrophobicContact CG2-CB 4.15Å; R341-A343 PolarHBondContact O-N 3.28Å
344	K	88.8	Confident	85.3	Confident	200 Å²	200	147.4 Å²	147.4	87%	0.87	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-80.1	127.3	167.2	-68.1	-177.6	179.3	-179.2	0	106.6	F342 E346	F342-K344 PolarHBondContact O-N 3.33Å; K344-E346 PolarHBondContact O-N 3.22Å
345	M	81.7	Confident	84.8	Confident	182 Å²	182	151.1 Å²	151.1	90%	0.897	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-65.2	126.9	169.6	-60.8	-102.6	-70.4	0	0	106.8	H347	M345-H347 PolarHBondContact O-N 3.39Å
346	E	79.1	Confident	84.3	Confident	184 Å²	184	152.1 Å²	152.1	86%	0.86	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-66.7	124.4	169.2	-60.6	-163.4	167.3	0	0	107	K344 E348	K344-E346 PolarHBondContact O-N 3.22Å; E346-E348 PolarHBondContact O-N 3.24Å
347	H	71.7	Confident	83.6	Confident	181 Å²	181	155.4 Å²	155.4	84%	0.838	74%	0.741	S	S	*	*			trans	-74.7	97.4	177.6	-134.1	-88	0	0	0	105.7	M345 H349	M345-H347 PolarHBondContact O-N 3.39Å; H347-H349 PolarHBondContact O-N 3.38Å
348	E	62.8	Low	82.8	Confident	186 Å²	186	157.9 Å²	157.9	87%	0.869	76%	0.763	S	S	*	*			trans	-61.1	130.8	167.8	-66.8	-158.4	156.7	0	0	108.1	E346	E346-E348 PolarHBondContact O-N 3.24Å
349	H	56.3	Low	81.9	Confident	258 Å²	258	163.2 Å²	163.2	100%	1.194	78%	0.777	S	S	*	*			trans	-83.4	0	-159.4	-123.5	-71.1	0	0	0	113.6	H347	H347-H349 PolarHBondContact O-N 3.38Å

Retrieved 349 of 349 residues in 174.8 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).