A0A087XRZ0_POEFO Loading...

Retbindin

AlphaFold DB , UniProt , Accession A0A087XRZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 275 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	39.5	Very low	55.5	Low	244 Å²	244	116.6 Å²	116.6	100%	1.202	66%	0.661	S	S	*	*				0	96.4	0	-76.4	165.2	152.3	0	0	107.3	M3	M1-M3 PolarHBondContact O-N 3.18Å
2	G	48.6	Very low	55.7	Low	76 Å²	76	113.1 Å²	113.1	78%	0.784	65%	0.647	S	S	*	*			trans	-81.8	113	-177.6	0	0	0	0	0	110	T4	G2-T4 PolarHBondContact O-N 2.69Å; G2-T4 VanDerWaalsContact O-N 3.16Å
3	M	43.5	Very low	56	Low	186 Å²	186	112.2 Å²	112.2	92%	0.916	64%	0.638	S	S	*	*			trans	-76.3	94.1	168.1	-91.3	141	56.8	0	0	108.2	M1 S5	M1-M3 PolarHBondContact O-N 3.18Å; M3-S5 PolarHBondContact O-N 3.11Å
4	T	56.1	Low	56	Low	118 Å²	118	116.8 Å²	116.8	72%	0.724	64%	0.642	S	S	*	*			trans	-64.9	103	159.3	42.3	0	0	0	0	107	G2 P6	G2-T4 PolarHBondContact O-N 2.69Å; G2-T4 VanDerWaalsContact O-N 3.16Å; T4-P6 WeakPolarHBondContact O-CD 3.47Å
5	S	65.9	Low	55.8	Low	51 Å²	51	116.8 Å²	116.8	36%	0.357	64%	0.64	S	S	.	*			trans	-66.5	118.2	178.9	-178.4	0	0	0	0	108.8	M3 L7 L8 L9	M3-S5 PolarHBondContact O-N 3.11Å; S5-L7 PolarHBondContact O-N 3.09Å; S5-L7 VanDerWaalsContact O-N 3.09Å; S5-L8 PolarHBondContact O-N 3.23Å; S5-L9 PolarHBondContact O-N 2.82Å
6	P	60.7	Low	55.6	Low	90 Å²	90	114.7 Å²	114.7	58%	0.584	64%	0.636	S	S	*	*	H	α-helix	trans	-61.6	-21.7	-179.9	25.4	-33.4	0	0	0	111.8	T4 L10	T4-P6 WeakPolarHBondContact O-CD 3.47Å; P6-L10 WeakPolarHBondContact O-CB 3.2Å; P6-L10 WeakPolarHBondContact O-CD1 3.04Å; P6-L10 VanDerWaalsContact O-CG 3.26Å; P6-L10 WeakPolarHBondContact O-CG 3.19Å; P6-L10 PolarHBondContact O-N 2.9Å
7	L	57	Low	55.3	Low	114 Å²	114	112.2 Å²	112.2	60%	0.597	63%	0.634	S	S	*	*	H	α-helix	trans	-66.3	-39.3	174.4	-131.2	84.3	0	0	0	112.5	S5 L10 I11	S5-L7 PolarHBondContact O-N 3.09Å; S5-L7 VanDerWaalsContact O-N 3.09Å; L7-L10 PolarHBondContact O-N 3.15Å; L7-I11 WeakPolarHBondContact O-CB 2.98Å; L7-I11 WeakPolarHBondContact O-CD1 3.32Å; L7-I11 WeakPolarHBondContact O-CG1 3.01Å; L7-I11 PolarHBondContact O-N 3.44Å
8	L	57.6	Low	55	Low	114 Å²	114	112.4 Å²	112.4	60%	0.597	64%	0.638	S	S	*	*	H	α-helix	trans	-69.2	-38	178.5	-94.3	154.8	0	0	0	111	S5 I11 C12	S5-L8 PolarHBondContact O-N 3.23Å; L8-I11 PolarHBondContact O-N 2.04Å; L8-C12 WeakPolarHBondContact O-CB 3.4Å; L8-C12 PolarHBondContact O-N 2.85Å; L8-C12 PolarHBondContact O-SG 3.46Å
9	L	60.7	Low	54.7	Low	101 Å²	101	110 Å²	110	53%	0.529	64%	0.64	S	S	.	*	H	α-helix	trans	-65.1	-42.6	172.7	-77.5	162.9	0	0	0	111.7	S5 C12 I13	S5-L9 PolarHBondContact O-N 2.82Å; L9-C12 PolarHBondContact O-N 2.91Å; L9-I13 WeakPolarHBondContact O-CB 3.36Å; L9-I13 WeakPolarHBondContact O-CD1 2.99Å; L9-I13 WeakPolarHBondContact O-CG1 2.85Å; L9-I13 PolarHBondContact O-N 3.19Å
10	L	59.7	Low	54.4	Low	102 Å²	102	112.2 Å²	112.2	53%	0.534	64%	0.637	S	S	.	*	H	α-helix	trans	-65.4	-37.9	176.5	-74.8	166.1	0	0	0	112.6	P6 L7 I13 Y14	P6-L10 WeakPolarHBondContact O-CB 3.2Å; P6-L10 WeakPolarHBondContact O-CD1 3.04Å; P6-L10 VanDerWaalsContact O-CG 3.26Å; P6-L10 WeakPolarHBondContact O-CG 3.19Å; P6-L10 PolarHBondContact O-N 2.9Å; L7-L10 PolarHBondContact O-N 3.15Å; L10-I13 PolarHBondContact O-N 2.01Å; L10-Y14 WeakPolarHBondContact O-CB 2.98Å; L10-Y14 PolarHBondContact O-N 3.29Å
11	I	61.3	Low	53.7	Low	87 Å²	87	111.5 Å²	111.5	45%	0.446	65%	0.646	S	S	.	*	H	α-helix	trans	-67.7	-41.4	175.1	-69.2	163.1	0	0	0	110.8	L7 L8 Y14 L15	L7-I11 WeakPolarHBondContact O-CB 2.98Å; L7-I11 WeakPolarHBondContact O-CD1 3.32Å; L7-I11 WeakPolarHBondContact O-CG1 3.01Å; L7-I11 PolarHBondContact O-N 3.44Å; L8-I11 PolarHBondContact O-N 2.04Å; I11-Y14 PolarHBondContact O-N 3.43Å; I11-L15 HydrophobicContact CG2-CD1 3.66Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 WeakPolarHBondContact O-CB 3.43Å; I11-L15 VanDerWaalsContact O-CG 3.3Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.23Å
12	C	57.4	Low	54.2	Low	74 Å²	74	105.9 Å²	105.9	50%	0.5	61%	0.611	S	S	.	*	H	α-helix	trans	-65	-39	174.2	-69.8	0	0	0	0	112.2	L8 L9 L15 S16	L8-C12 WeakPolarHBondContact O-CB 3.4Å; L8-C12 PolarHBondContact O-N 2.85Å; L8-C12 PolarHBondContact O-SG 3.46Å; L9-C12 PolarHBondContact O-N 2.91Å; C12-L15 PolarHBondContact O-N 2.95Å; C12-S16 VanDerWaalsContact O-CB 3.29Å; C12-S16 WeakPolarHBondContact O-CB 3.48Å; C12-S16 PolarHBondContact O-N 2.83Å; C12-S16 PolarHBondContact O-OG 3.33Å
13	I	60.1	Low	54.3	Low	102 Å²	102	108.3 Å²	108.3	52%	0.523	61%	0.605	S	S	.	*	H	α-helix	trans	-64.3	-44.7	174.5	-68.5	163.5	0	0	0	110.1	L9 L10 S16 A17	L9-I13 WeakPolarHBondContact O-CB 3.36Å; L9-I13 WeakPolarHBondContact O-CD1 2.99Å; L9-I13 WeakPolarHBondContact O-CG1 2.85Å; L9-I13 PolarHBondContact O-N 3.19Å; L10-I13 PolarHBondContact O-N 2.01Å; I13-S16 WeakPolarHBondContact CA-OG 3.39Å; I13-S16 PolarHBondContact O-N 3.06Å; I13-S16 PolarHBondContact O-OG 3.13Å; I13-A17 WeakPolarHBondContact O-CB 3.47Å; I13-A17 PolarHBondContact O-N 3.5Å
14	Y	55.7	Low	54.8	Low	176 Å²	176	104.8 Å²	104.8	69%	0.69	59%	0.587	S	S	*	*	H	α-helix	trans	-63.9	-43.2	175.7	-111.4	-94.4	0	0	0	112.7	L10 I11 A17 V18	L10-Y14 WeakPolarHBondContact O-CB 2.98Å; L10-Y14 PolarHBondContact O-N 3.29Å; I11-Y14 PolarHBondContact O-N 3.43Å; Y14-A17 PolarHBondContact O-N 2.99Å; Y14-V18 VanDerWaalsContact O-CG2 3.26Å; Y14-V18 WeakPolarHBondContact O-CG2 3.48Å; Y14-V18 PolarHBondContact O-N 3.13Å
15	L	53.3	Low	55.4	Low	117 Å²	117	101 Å²	101	61%	0.613	57%	0.571	S	S	*	*	H	α-helix	trans	-66.8	-35.6	176.8	-74.1	164.5	0	0	0	112	I11 C12 A17 G19	I11-L15 HydrophobicContact CG2-CD1 3.66Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 WeakPolarHBondContact O-CB 3.43Å; I11-L15 VanDerWaalsContact O-CG 3.3Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.23Å; C12-L15 PolarHBondContact O-N 2.95Å; L15-A17 VanDerWaalsContact C-N 3.33Å; L15-G19 PolarHBondContact O-N 2.88Å; L15-G19 VanDerWaalsContact O-N 3.11Å
16	S	52.4	Low	56.3	Low	83 Å²	83	101.5 Å²	101.5	58%	0.58	57%	0.572	S	S	*	*	H	α-helix	trans	-68.8	-31	172.5	72.8	0	0	0	0	112.9	C12 I13	C12-S16 VanDerWaalsContact O-CB 3.29Å; C12-S16 WeakPolarHBondContact O-CB 3.48Å; C12-S16 PolarHBondContact O-N 2.83Å; C12-S16 PolarHBondContact O-OG 3.33Å; I13-S16 WeakPolarHBondContact CA-OG 3.39Å; I13-S16 PolarHBondContact O-N 3.06Å; I13-S16 PolarHBondContact O-OG 3.13Å
17	A	49.8	Very low	57.7	Low	73 Å²	73	97.3 Å²	97.3	60%	0.603	55%	0.545	S	S	*	.	H	α-helix	trans	-77.2	-34	176.3	0	0	0	0	0	112.5	I13 Y14 L15 G19	I13-A17 WeakPolarHBondContact O-CB 3.47Å; I13-A17 PolarHBondContact O-N 3.5Å; Y14-A17 PolarHBondContact O-N 2.99Å; L15-A17 VanDerWaalsContact C-N 3.33Å; A17-G19 VanDerWaalsContact C-N 3.33Å
18	V	51.3	Low	59.2	Low	115 Å²	115	92.4 Å²	92.4	70%	0.697	52%	0.519	S	S	*	.	H	α-helix	trans	-77.9	-19.9	176.8	176.7	0	0	0	0	111.9	Y14 R20	Y14-V18 VanDerWaalsContact O-CG2 3.26Å; Y14-V18 WeakPolarHBondContact O-CG2 3.48Å; Y14-V18 PolarHBondContact O-N 3.13Å; V18-R20 PolarHBondContact O-N 2.83Å
19	G	48.3	Very low	60.3	Low	67 Å²	67	92.4 Å²	92.4	69%	0.691	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	5.1	179.2	0	0	0	0	0	116.7	L15 A17	L15-G19 PolarHBondContact O-N 2.88Å; L15-G19 VanDerWaalsContact O-N 3.11Å; A17-G19 VanDerWaalsContact C-N 3.33Å
20	R	48.3	Very low	60.9	Low	154 Å²	154	90.4 Å²	90.4	58%	0.581	51%	0.506	S	S	*	.			trans	-137	59.1	-177	-147.6	176.3	-158.3	173.2	6.2	113	V18 R22	V18-R20 PolarHBondContact O-N 2.83Å; R20-R22 HydrophobicContact CG-CG 4.15Å; R20-R22 PolarHBondContact O-N 2.61Å
21	A	41.3	Very low	61.5	Low	98 Å²	98	89.2 Å²	89.2	81%	0.81	52%	0.518	S	S	*	.			trans	-70.2	89.3	156.1	0	0	0	0	0	107.6
22	R	48.3	Very low	62.2	Low	125 Å²	125	91.8 Å²	91.8	47%	0.472	53%	0.526	S	S	.	.			trans	-56	138.7	171.2	-67.8	-173.7	174.2	-172.5	-9.1	108.7	R20 E24	R20-R22 HydrophobicContact CG-CG 4.15Å; R20-R22 PolarHBondContact O-N 2.61Å; R22-E24 HydrophobicContact CB-CB 4.1Å; R22-E24 HydrophobicContact CB-CG 4.16Å; R22-E24 WeakPolarHBondContact CD-OE2 3.37Å; R22-E24 IonicContact CZ-OE2 2.91Å; R22-E24 IonicContact NE-OE2 2.99Å; R22-E24 IonicContact NH1-OE1 3.16Å; R22-E24 IonicContact NH1-OE2 3.5Å; R22-E24 PolarHBondContact NH1-OE2 2.9Å; R22-E24 PolarHBondContact O-N 3.08Å
23	L	50.9	Low	63.8	Low	128 Å²	128	89.3 Å²	89.3	67%	0.67	51%	0.507	S	S	*	.	S	Bend	trans	-68.3	12.4	166	-96.3	103.5	0	0	0	112.8	G25	L23-G25 PolarHBondContact O-N 2.71Å
24	E	55.5	Low	65.3	Low	112 Å²	112	86.5 Å²	86.5	52%	0.523	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	116.6	174.7	-73.5	-178.6	151.2	0	0	109.3	R22	R22-E24 HydrophobicContact CB-CB 4.1Å; R22-E24 HydrophobicContact CB-CG 4.16Å; R22-E24 WeakPolarHBondContact CD-OE2 3.37Å; R22-E24 IonicContact CZ-OE2 2.91Å; R22-E24 IonicContact NE-OE2 2.99Å; R22-E24 IonicContact NH1-OE1 3.16Å; R22-E24 IonicContact NH1-OE2 3.5Å; R22-E24 PolarHBondContact NH1-OE2 2.9Å; R22-E24 PolarHBondContact O-N 3.08Å
25	G	67.5	Low	67	Low	38 Å²	38	81 Å²	81	39%	0.392	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	27.4	168.6	0	0	0	0	0	115.9	L23 T36 P37	L23-G25 PolarHBondContact O-N 2.71Å; G25-T36 WeakPolarHBondContact O-CA 3.34Å; G25-T36 WeakPolarHBondContact O-CB 3.39Å; G25-T36 VanDerWaalsContact O-CG2 3.31Å; G25-T36 WeakPolarHBondContact O-CG2 3.32Å; G25-P37 WeakPolarHBondContact O-CD 3.23Å
26	V	84.5	Confident	68.8	Low	61 Å²	61	79.5 Å²	79.5	37%	0.37	48%	0.478	S	S	.	.			trans	-116.6	129.1	172.2	-172.4	0	0	0	0	110.1	Q29 S104	V26-Q29 HydrophobicContact CG1-CG 4.3Å; V26-Q29 VanDerWaalsContact CG1-NE2 3.26Å; V26-S104 VanDerWaalsContact O-CB 3.22Å; V26-S104 WeakPolarHBondContact O-CB 3.29Å; V26-S104 PolarHBondContact O-OG 3.16Å
27	C	91.1	Very high	70.8	Confident	3 Å²	3	76.6 Å²	76.6	2%	0.02	46%	0.457	C	S	.	.			trans	-83.9	172.9	174.6	-61.2	0	0	0	0	111.5	Q29 H33 K34 A35 P37 C54	C27-Q29 PolarHBondContact O-N 3.29Å; C27-Q29 PolarHBondContact O-NE2 2.77Å; C27-H33 HydrophobicContact CB-CB 4.04Å; C27-K34 WeakPolarHBondContact CB-O 3.26Å; C27-A35 PolarHBondContact N-O 3.25Å; C27-P37 VanDerWaalsContact SG-CD 3.56Å; C27-P37 VanDerWaalsContact SG-N 3.38Å; C27-C54 VanDerWaalsContact CA-SG 3.53Å; C27-C54 HydrophobicContact CB-CB 3.69Å; C27-C54 WeakPolarHBondContact CB-SG 3.37Å; C27-C54 WeakPolarHBondContact SG-CA 3.36Å; C27-C54 WeakPolarHBondContact SG-CB 3.23Å; C27-C54 CovalentContact SG-SG 2.03Å; C27-C54 PolarHBondContact SG-SG 3.43Å
28	L	87.3	Confident	73	Confident	11 Å²	11	74.1 Å²	74.1	6%	0.058	44%	0.439	C	S	.	.			trans	-62.4	122.2	174.4	-67.4	171.7	0	0	0	110.9	D30 H33 Y97 A103 I115	L28-D30 PolarHBondContact O-N 2.93Å; L28-D30 VanDerWaalsContact O-N 3.09Å; L28-H33 VanDerWaalsContact O-CB 3.27Å; L28-H33 WeakPolarHBondContact O-CB 3.41Å; L28-Y97 HydrophobicContact CD1-CD2 4.25Å; L28-Y97 HydrophobicContact CD1-CE2 4Å; L28-A103 HydrophobicContact CD1-CB 4.2Å; L28-I115 HydrophobicContact CD1-CG2 3.84Å; L28-I115 HydrophobicContact CD2-CG2 4.41Å
29	Q	81.8	Confident	75.1	Confident	114 Å²	114	72 Å²	72	53%	0.533	43%	0.433	S	S	.	.			trans	-88.2	71.6	-170.1	-60.6	-63.5	-51.7	0	0	113.2	V26 C27 A35 S113	V26-Q29 HydrophobicContact CG1-CG 4.3Å; V26-Q29 VanDerWaalsContact CG1-NE2 3.26Å; C27-Q29 PolarHBondContact O-N 3.29Å; C27-Q29 PolarHBondContact O-NE2 2.77Å; Q29-A35 PolarHBondContact NE2-O 2.94Å; Q29-A35 VanDerWaalsContact NE2-O 3.09Å; Q29-S113 PolarHBondContact O-OG 3.47Å
30	D	73.1	Confident	77.4	Confident	58 Å²	58	70.5 Å²	70.5	31%	0.31	41%	0.408	S	S	.	.	S	Bend	trans	-106.4	-11.9	173.5	39.1	24.3	0	0	0	115.1	L28 K32 H33 S113	L28-D30 PolarHBondContact O-N 2.93Å; L28-D30 VanDerWaalsContact O-N 3.09Å; D30-K32 WeakPolarHBondContact OD1-CA 2.94Å; D30-K32 PolarHBondContact OD1-N 2.75Å; D30-H33 IonicContact OD1-CE1 3.08Å; D30-H33 IonicContact OD1-CG 2.72Å; D30-H33 PolarHBondContact OD1-N 3Å; D30-H33 IonicContact OD1-ND1 2.92Å; D30-H33 PolarHBondContact OD1-ND1 2.59Å; D30-H33 IonicContact OD2-CE1 3.58Å; D30-H33 PolarHBondContact OD2-CE1 2.88Å; D30-H33 IonicContact OD2-ND1 2.77Å; D30-H33 PolarHBondContact OD2-ND1 3.27Å; D30-S113 WeakPolarHBondContact CA-OG 3.25Å; D30-S113 WeakPolarHBondContact CB-OG 3Å; D30-S113 PolarHBondContact N-OG 2.81Å; D30-S113 VanDerWaalsContact OD2-CB 3.26Å; D30-S113 WeakPolarHBondContact OD2-CB 3.46Å
31	G	72.1	Confident	79.5	Confident	77 Å²	77	68.3 Å²	68.3	79%	0.794	41%	0.414	S	S	*	.	S	Bend	trans	77.7	9.6	-166.9	0	0	0	0	0	113.9
32	K	77.1	Confident	81.7	Confident	142 Å²	142	71 Å²	71	62%	0.617	41%	0.409	S	S	*	.	S	Bend	trans	-106.2	-27	163.7	-64.5	-172.2	175.8	-171.2	0	112.3	D30 D59	D30-K32 WeakPolarHBondContact OD1-CA 2.94Å; D30-K32 PolarHBondContact OD1-N 2.75Å; K32-D59 VanDerWaalsContact O-CG 3.28Å
33	H	89.3	Confident	83.7	Confident	21 Å²	21	65.9 Å²	65.9	10%	0.097	39%	0.391	C	S	.	.	S	Bend	trans	-89.1	156.1	167.5	-54.7	72.7	0	0	0	109.9	C27 L28 D30 C54 Y97 R98	C27-H33 HydrophobicContact CB-CB 4.04Å; L28-H33 VanDerWaalsContact O-CB 3.27Å; L28-H33 WeakPolarHBondContact O-CB 3.41Å; D30-H33 IonicContact OD1-CE1 3.08Å; D30-H33 IonicContact OD1-CG 2.72Å; D30-H33 PolarHBondContact OD1-N 3Å; D30-H33 IonicContact OD1-ND1 2.92Å; D30-H33 PolarHBondContact OD1-ND1 2.59Å; D30-H33 IonicContact OD2-CE1 3.58Å; D30-H33 PolarHBondContact OD2-CE1 2.88Å; D30-H33 IonicContact OD2-ND1 2.77Å; D30-H33 PolarHBondContact OD2-ND1 3.27Å; H33-C54 WeakPolarHBondContact CA-O 3.37Å; H33-Y97 PolarHBondContact NE2-O 2.79Å; H33-R98 PolarHBondContact CD2-O 3.18Å
34	K	93.1	Very high	85.4	Confident	43 Å²	43	63.8 Å²	63.8	19%	0.187	39%	0.387	C	S	.	.			trans	-55.2	158.9	165	-66.4	164.9	59.3	177.1	0	110.1	C27 G38 E40 S53 C54 T56	C27-K34 WeakPolarHBondContact CB-O 3.26Å; K34-G38 PolarHBondContact NZ-O 3.05Å; K34-G38 VanDerWaalsContact NZ-O 3.1Å; K34-E40 WeakPolarHBondContact CE-OE1 3.49Å; K34-E40 IonicContact NZ-OE1 3.11Å; K34-E40 PolarHBondContact NZ-OE1 3.46Å; K34-S53 WeakPolarHBondContact CE-O 3.03Å; K34-S53 PolarHBondContact NZ-O 2.92Å; K34-C54 PolarHBondContact N-O 2.72Å; K34-T56 HydrophobicContact CD-CG2 4.03Å; K34-T56 HydrophobicContact CG-CG2 4.13Å
35	A	90.3	Very high	86.9	Confident	62 Å²	62	61 Å²	61	51%	0.512	37%	0.374	S	S	.	.	S	Bend	trans	-68.2	-42.1	175	0	0	0	0	0	111.7	C27 Q29	C27-A35 PolarHBondContact N-O 3.25Å; Q29-A35 PolarHBondContact NE2-O 2.94Å; Q29-A35 VanDerWaalsContact NE2-O 3.09Å
36	T	92.4	Very high	88.1	Confident	84 Å²	84	59.6 Å²	59.6	52%	0.515	36%	0.359	S	S	.	.	S	Bend	trans	-134.3	148.6	-178.2	59.1	0	0	0	0	110.2	G25	G25-T36 WeakPolarHBondContact O-CA 3.34Å; G25-T36 WeakPolarHBondContact O-CB 3.39Å; G25-T36 VanDerWaalsContact O-CG2 3.31Å; G25-T36 WeakPolarHBondContact O-CG2 3.32Å
37	P	94.3	Very high	88.6	Confident	22 Å²	22	59 Å²	59	14%	0.143	36%	0.364	C	S	.	.			trans	-58.5	150.4	173.3	-23.5	33.9	0	0	0	112.4	G25 C27 N52 S53 P101	G25-P37 WeakPolarHBondContact O-CD 3.23Å; C27-P37 VanDerWaalsContact SG-CD 3.56Å; C27-P37 VanDerWaalsContact SG-N 3.38Å; P37-N52 WeakPolarHBondContact CB-OD1 3.13Å; P37-S53 VanDerWaalsContact CA-O 3.32Å; P37-S53 WeakPolarHBondContact CA-O 3.38Å; P37-P101 HydrophobicContact CB-CB 3.88Å; P37-P101 HydrophobicContact CG-CB 3.57Å
38	G	95.1	Very high	88.7	Confident	22 Å²	22	62.5 Å²	62.5	23%	0.227	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-172.4	167.2	172.4	0	0	0	0	0	112	K34 S53	K34-G38 PolarHBondContact NZ-O 3.05Å; K34-G38 VanDerWaalsContact NZ-O 3.1Å; G38-S53 PolarHBondContact N-O 3Å; G38-S53 PolarHBondContact O-N 3.39Å
39	A	96.4	Very high	89.1	Confident	69 Å²	69	63.2 Å²	63.2	57%	0.57	39%	0.385	S	S	*	.			trans	-65.3	139.4	-176.8	0	0	0	0	0	112.8	A50	A39-A50 CarbonylContact C-O 3.5Å; A39-A50 VanDerWaalsContact CA-O 3.3Å; A39-A50 WeakPolarHBondContact CA-O 3.06Å
40	E	96.3	Very high	89.8	Confident	37 Å²	37	58.8 Å²	58.8	17%	0.173	37%	0.368	C	S	.	.			trans	-131.2	80.5	177.7	-65.8	-64.8	158.3	0	0	108.9	K34 H42 L43 A50 C55	K34-E40 WeakPolarHBondContact CE-OE1 3.49Å; K34-E40 IonicContact NZ-OE1 3.11Å; K34-E40 PolarHBondContact NZ-OE1 3.46Å; E40-H42 PolarHBondContact O-N 3.08Å; E40-H42 VanDerWaalsContact O-N 3.08Å; E40-L43 HydrophobicContact CB-CB 4.24Å; E40-L43 HydrophobicContact CB-CD1 3.88Å; E40-L43 HydrophobicContact CG-CD1 4.34Å; E40-L43 WeakPolarHBondContact O-CB 3.24Å; E40-L43 PolarHBondContact O-N 2.82Å; E40-A50 PolarHBondContact N-O 3.2Å; E40-C55 VanDerWaalsContact CG-O 3.3Å; E40-C55 WeakPolarHBondContact CG-O 3.21Å
41	P	90.9	Very high	90.8	Very high	107 Å²	107	63.3 Å²	63.3	70%	0.695	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.6	-173.6	28.3	-35.8	0	0	0	113.9
42	H	89.1	Confident	91.8	Very high	155 Å²	155	63.3 Å²	63.3	72%	0.718	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	12.1	-177.7	-58.2	-51.6	0	0	0	113.1	E40 S44	E40-H42 PolarHBondContact O-N 3.08Å; E40-H42 VanDerWaalsContact O-N 3.08Å; H42-S44 PolarHBondContact O-N 2.77Å; H42-S44 VanDerWaalsContact O-N 3.08Å
43	L	89.9	Confident	92.7	Very high	18 Å²	18	56.6 Å²	56.6	9%	0.094	34%	0.344	C	S	.	.			trans	-66.6	104.4	177.7	-143.3	81.4	0	0	0	109.8	E40 E45 C46 A50 E57 I60	E40-L43 HydrophobicContact CB-CB 4.24Å; E40-L43 HydrophobicContact CB-CD1 3.88Å; E40-L43 HydrophobicContact CG-CD1 4.34Å; E40-L43 WeakPolarHBondContact O-CB 3.24Å; E40-L43 PolarHBondContact O-N 2.82Å; L43-E45 WeakPolarHBondContact CD2-O 3.35Å; L43-E45 WeakPolarHBondContact CG-O 3.47Å; L43-C46 HydrophobicContact CD2-CB 3.69Å; L43-C46 WeakPolarHBondContact CD2-O 3.09Å; L43-A50 HydrophobicContact CB-CB 4.46Å; L43-E57 VanDerWaalsContact CA-OE2 3.26Å; L43-E57 WeakPolarHBondContact CA-OE2 3.49Å; L43-I60 HydrophobicContact CD1-CD1 3.89Å; L43-I60 HydrophobicContact CD2-CD1 4.38Å; L43-I60 HydrophobicContact CG-CD1 3.74Å
44	S	86.1	Confident	93	Very high	83 Å²	83	55.6 Å²	55.6	58%	0.58	34%	0.34	S	S	*	.	S	Bend	trans	-76.8	-33.5	-174.8	70.8	0	0	0	0	112.3	H42 E57	H42-S44 PolarHBondContact O-N 2.77Å; H42-S44 VanDerWaalsContact O-N 3.08Å; S44-E57 VanDerWaalsContact CB-OE1 3.25Å; S44-E57 WeakPolarHBondContact CB-OE1 3.3Å; S44-E57 PolarHBondContact N-OE2 3.24Å; S44-E57 PolarHBondContact OG-OE1 2.89Å
45	E	88.1	Confident	93	Very high	53 Å²	53	53.6 Å²	53.6	25%	0.248	33%	0.331	C	S	.	.	S	Bend	trans	-109.9	170.4	169.5	-70.1	-72.4	-176	0	0	109.1	L43 G47 I60 A64 K91	L43-E45 WeakPolarHBondContact CD2-O 3.35Å; L43-E45 WeakPolarHBondContact CG-O 3.47Å; E45-G47 PolarHBondContact O-N 2.75Å; E45-I60 HydrophobicContact CB-CD1 3.93Å; E45-A64 HydrophobicContact CG-CB 4.1Å; E45-K91 IonicContact OE1-NZ 3.39Å; E45-K91 PolarHBondContact OE1-NZ 2.76Å; E45-K91 IonicContact OE2-NZ 2.69Å
46	C	92.6	Very high	93.2	Very high	10 Å²	10	52 Å²	52	7%	0.068	32%	0.315	C	S	.	.			trans	60.5	21	174.9	-51.3	0	0	0	0	115.9	L43 L48 Y49 I60 C95 C99	L43-C46 HydrophobicContact CD2-CB 3.69Å; L43-C46 WeakPolarHBondContact CD2-O 3.09Å; C46-L48 PolarHBondContact O-N 2.79Å; C46-Y49 HydrophobicContact CB-CD2 4.43Å; C46-Y49 PolarHBondContact O-N 2.89Å; C46-I60 HydrophobicContact CB-CD1 4.31Å; C46-C95 WeakPolarHBondContact CA-SG 3.33Å; C46-C95 HydrophobicContact CB-CB 3.5Å; C46-C95 VanDerWaalsContact CB-CB 3.5Å; C46-C95 WeakPolarHBondContact CB-SG 3.33Å; C46-C95 WeakPolarHBondContact SG-CA 3.44Å; C46-C95 WeakPolarHBondContact SG-CB 3.16Å; C46-C95 CovalentContact SG-SG 2.02Å; C46-C95 PolarHBondContact SG-SG 2.81Å; C46-C99 HydrophobicContact CB-CB 4.46Å
47	G	94	Very high	93.1	Very high	48 Å²	48	50.6 Å²	50.6	50%	0.495	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-55.7	-16.5	-173.4	0	0	0	0	0	116.1	E45 Y49 A50	E45-G47 PolarHBondContact O-N 2.75Å; G47-Y49 PolarHBondContact O-N 2.8Å; G47-Y49 VanDerWaalsContact O-N 3.11Å; G47-A50 WeakPolarHBondContact O-CB 3.47Å; G47-A50 PolarHBondContact O-N 3.21Å; G47-A50 VanDerWaalsContact O-N 3.15Å
48	L	94.4	Very high	92.7	Very high	77 Å²	77	55.7 Å²	55.7	40%	0.403	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-51	-30.4	168	179.8	60.7	0	0	0	112.9	C46 P207	C46-L48 PolarHBondContact O-N 2.79Å; L48-P207 HydrophobicContact CD1-CB 4.23Å; L48-P207 HydrophobicContact CD1-CG 3.7Å
49	Y	95.4	Very high	92.2	Very high	26 Å²	26	56.5 Å²	56.5	10%	0.102	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-105.1	2	-175.9	-53.9	-66.8	0	0	0	113.7	C46 G47 D51 N52 S53 C95 F96 C99	C46-Y49 HydrophobicContact CB-CD2 4.43Å; C46-Y49 PolarHBondContact O-N 2.89Å; G47-Y49 PolarHBondContact O-N 2.8Å; G47-Y49 VanDerWaalsContact O-N 3.11Å; Y49-D51 VanDerWaalsContact C-N 3.3Å; Y49-D51 PolarHBondContact O-N 3.19Å; Y49-N52 CarbonylContact O-C 3.14Å; Y49-N52 PolarHBondContact O-N 2.9Å; Y49-S53 WeakPolarHBondContact O-CA 3.02Å; Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.46Å; Y49-S53 PolarHBondContact O-N 3.18Å; Y49-S53 VanDerWaalsContact O-N 3.15Å; Y49-C95 HydrophobicContact CD2-CB 4.19Å; Y49-C95 VanDerWaalsContact CE2-C 3.48Å; Y49-C95 HydrophobicContact CE2-CB 3.81Å; Y49-C95 WeakPolarHBondContact CE2-O 3.42Å; Y49-F96 WeakPolarHBondContact OH-CA 3.41Å; Y49-C99 HydrophobicContact CD2-CB 3.71Å; Y49-C99 HydrophobicContact CG-CB 3.96Å
50	A	95.3	Very high	91.6	Very high	21 Å²	21	53.3 Å²	53.3	17%	0.174	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.8	-170.8	0	0	0	0	0	113.9	A39 E40 L43 G47 N52	A39-A50 CarbonylContact C-O 3.5Å; A39-A50 VanDerWaalsContact CA-O 3.3Å; A39-A50 WeakPolarHBondContact CA-O 3.06Å; E40-A50 PolarHBondContact N-O 3.2Å; L43-A50 HydrophobicContact CB-CB 4.46Å; G47-A50 WeakPolarHBondContact O-CB 3.47Å; G47-A50 PolarHBondContact O-N 3.21Å; G47-A50 VanDerWaalsContact O-N 3.15Å; A50-N52 VanDerWaalsContact C-N 3.27Å; A50-N52 PolarHBondContact O-N 2.93Å
51	D	94.4	Very high	90.7	Very high	152 Å²	152	56.5 Å²	56.5	81%	0.813	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-22.6	-179.8	-67.5	-24.6	0	0	0	113.1	Y49	Y49-D51 VanDerWaalsContact C-N 3.3Å; Y49-D51 PolarHBondContact O-N 3.19Å
52	N	94.2	Very high	89.7	Confident	78 Å²	78	54.7 Å²	54.7	42%	0.417	30%	0.297	S	S	.	.	S	Bend	trans	-156.5	75.6	-175.4	-167.5	35.1	0	0	0	111.4	P37 Y49 A50 P101	P37-N52 WeakPolarHBondContact CB-OD1 3.13Å; Y49-N52 CarbonylContact O-C 3.14Å; Y49-N52 PolarHBondContact O-N 2.9Å; A50-N52 VanDerWaalsContact C-N 3.27Å; A50-N52 PolarHBondContact O-N 2.93Å; N52-P101 VanDerWaalsContact O-CD 3.29Å; N52-P101 WeakPolarHBondContact O-CD 3.42Å; N52-P101 WeakPolarHBondContact O-CG 3.27Å
53	S	95.6	Very high	89	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-107.2	145.8	-170.1	-177.5	0	0	0	0	113.7	K34 P37 G38 Y49 C55 C99	K34-S53 WeakPolarHBondContact CE-O 3.03Å; K34-S53 PolarHBondContact NZ-O 2.92Å; P37-S53 VanDerWaalsContact CA-O 3.32Å; P37-S53 WeakPolarHBondContact CA-O 3.38Å; G38-S53 PolarHBondContact N-O 3Å; G38-S53 PolarHBondContact O-N 3.39Å; Y49-S53 WeakPolarHBondContact O-CA 3.02Å; Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.46Å; Y49-S53 PolarHBondContact O-N 3.18Å; Y49-S53 VanDerWaalsContact O-N 3.15Å; S53-C55 PolarHBondContact OG-N 3.46Å; S53-C55 PolarHBondContact OG-O 3.06Å; S53-C55 PolarHBondContact OG-SG 2.98Å; S53-C99 WeakPolarHBondContact CA-O 3.46Å
54	C	95.3	Very high	87.4	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.007	27%	0.267	C	S	.	.	S	Bend	trans	-93.1	-3.4	168.5	-79	0	0	0	0	115.3	C27 H33 K34 R98 C99	C27-C54 VanDerWaalsContact CA-SG 3.53Å; C27-C54 HydrophobicContact CB-CB 3.69Å; C27-C54 WeakPolarHBondContact CB-SG 3.37Å; C27-C54 WeakPolarHBondContact SG-CA 3.36Å; C27-C54 WeakPolarHBondContact SG-CB 3.23Å; C27-C54 CovalentContact SG-SG 2.03Å; C27-C54 PolarHBondContact SG-SG 3.43Å; H33-C54 WeakPolarHBondContact CA-O 3.37Å; K34-C54 PolarHBondContact N-O 2.72Å; C54-R98 CarbonylContact C-O 3.43Å; C54-C99 PolarHBondContact N-O 3.24Å
55	C	93.8	Very high	85.8	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-116.6	157.9	175.3	72.3	0	0	0	0	110.2	E40 S53 D59 I60 R98 C99	E40-C55 VanDerWaalsContact CG-O 3.3Å; E40-C55 WeakPolarHBondContact CG-O 3.21Å; S53-C55 PolarHBondContact OG-N 3.46Å; S53-C55 PolarHBondContact OG-O 3.06Å; S53-C55 PolarHBondContact OG-SG 2.98Å; C55-D59 HydrophobicContact CB-CB 3.95Å; C55-I60 HydrophobicContact CB-CG2 4.09Å; C55-R98 HydrophobicContact CB-CB 4.26Å; C55-R98 WeakPolarHBondContact CB-O 3.42Å; C55-R98 PolarHBondContact N-O 2.92Å; C55-C99 HydrophobicContact CB-CB 3.98Å; C55-C99 WeakPolarHBondContact CB-SG 3.19Å; C55-C99 WeakPolarHBondContact SG-CB 3.39Å; C55-C99 CovalentContact SG-SG 2.03Å; C55-C99 PolarHBondContact SG-SG 3.18Å
56	T	92.8	Very high	83.4	Confident	30 Å²	30	51.5 Å²	51.5	18%	0.184	28%	0.277	C	S	.	.			trans	-99.5	176.3	161.6	71.9	0	0	0	0	111	K34 E58 D59	K34-T56 HydrophobicContact CD-CG2 4.03Å; K34-T56 HydrophobicContact CG-CG2 4.13Å; T56-E58 VanDerWaalsContact C-N 3.27Å; T56-E58 WeakPolarHBondContact CB-OE2 3.5Å; T56-E58 PolarHBondContact O-N 3.39Å; T56-E58 PolarHBondContact OG1-N 3.11Å; T56-E58 PolarHBondContact OG1-OE2 3Å; T56-D59 PolarHBondContact N-OD2 2.93Å; T56-D59 WeakPolarHBondContact O-CB 3.07Å; T56-D59 PolarHBondContact O-N 2.83Å; T56-D59 VanDerWaalsContact O-N 3.16Å; T56-D59 PolarHBondContact OG1-N 3.13Å; T56-D59 PolarHBondContact OG1-OD2 3.5Å
57	E	90.1	Very high	80.7	Confident	53 Å²	53	55.6 Å²	55.6	25%	0.248	30%	0.303	C	S	.	.	S	Bend	trans	-61.5	-35.7	173.1	-177.2	64.7	-172.5	0	0	112	L43 S44 D59 I60	L43-E57 VanDerWaalsContact CA-OE2 3.26Å; L43-E57 WeakPolarHBondContact CA-OE2 3.49Å; S44-E57 VanDerWaalsContact CB-OE1 3.25Å; S44-E57 WeakPolarHBondContact CB-OE1 3.3Å; S44-E57 PolarHBondContact N-OE2 3.24Å; S44-E57 PolarHBondContact OG-OE1 2.89Å; E57-D59 VanDerWaalsContact C-N 3.25Å; E57-D59 PolarHBondContact O-N 3.38Å; E57-I60 WeakPolarHBondContact O-CG1 3.38Å; E57-I60 PolarHBondContact O-N 3.35Å
58	E	86.5	Confident	77.8	Confident	129 Å²	129	56.1 Å²	56.1	60%	0.603	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-64.7	-33.3	175.3	-58.8	86	-172.4	0	0	112.1	T56 I60	T56-E58 VanDerWaalsContact C-N 3.27Å; T56-E58 WeakPolarHBondContact CB-OE2 3.5Å; T56-E58 PolarHBondContact O-N 3.39Å; T56-E58 PolarHBondContact OG1-N 3.11Å; T56-E58 PolarHBondContact OG1-OE2 3Å; E58-I60 PolarHBondContact O-N 3Å
59	D	84.4	Confident	75.1	Confident	40 Å²	40	61.2 Å²	61.2	21%	0.214	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-71.3	-9.2	-179.8	-64.9	-35.6	0	0	0	113	K32 C55 T56 E57 R98	K32-D59 VanDerWaalsContact O-CG 3.28Å; C55-D59 HydrophobicContact CB-CB 3.95Å; T56-D59 PolarHBondContact N-OD2 2.93Å; T56-D59 WeakPolarHBondContact O-CB 3.07Å; T56-D59 PolarHBondContact O-N 2.83Å; T56-D59 VanDerWaalsContact O-N 3.16Å; T56-D59 PolarHBondContact OG1-N 3.13Å; T56-D59 PolarHBondContact OG1-OD2 3.5Å; E57-D59 VanDerWaalsContact C-N 3.25Å; E57-D59 PolarHBondContact O-N 3.38Å; D59-R98 PolarHBondContact O-NE 3.15Å; D59-R98 PolarHBondContact O-NH1 3.18Å; D59-R98 PolarHBondContact O-NH2 3.23Å
60	I	85.3	Confident	72.2	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-124.4	14.4	-176.1	65.2	174.3	0	0	0	114.2	L43 E45 C46 C55 E57 E58 D62 I63 A64	L43-I60 HydrophobicContact CD1-CD1 3.89Å; L43-I60 HydrophobicContact CD2-CD1 4.38Å; L43-I60 HydrophobicContact CG-CD1 3.74Å; E45-I60 HydrophobicContact CB-CD1 3.93Å; C46-I60 HydrophobicContact CB-CD1 4.31Å; C55-I60 HydrophobicContact CB-CG2 4.09Å; E57-I60 WeakPolarHBondContact O-CG1 3.38Å; E57-I60 PolarHBondContact O-N 3.35Å; E58-I60 PolarHBondContact O-N 3Å; I60-D62 PolarHBondContact O-N 3.45Å; I60-D62 VanDerWaalsContact O-N 3.09Å; I60-I63 HydrophobicContact CB-CB 4.37Å; I60-I63 HydrophobicContact CB-CD1 4.1Å; I60-I63 HydrophobicContact CB-CG1 4.46Å; I60-I63 HydrophobicContact CG2-CD1 4.01Å; I60-I63 WeakPolarHBondContact O-CB 3.08Å; I60-I63 PolarHBondContact O-N 3.28Å; I60-A64 PolarHBondContact O-N 3.28Å
61	Q	76.6	Confident	69.6	Low	104 Å²	104	73.1 Å²	73.1	49%	0.486	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.2	-178.3	-69	-177.6	-4.8	0	0	114.3
62	D	70.5	Confident	67	Low	70 Å²	70	75.6 Å²	75.6	37%	0.374	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.6	175.6	60.1	-66.1	0	0	0	113.9	I60 R98	I60-D62 PolarHBondContact O-N 3.45Å; I60-D62 VanDerWaalsContact O-N 3.09Å; D62-R98 IonicContact OD1-CZ 3.24Å; D62-R98 IonicContact OD1-NH1 3.35Å; D62-R98 PolarHBondContact OD1-NH1 2.69Å; D62-R98 IonicContact OD1-NH2 3.58Å; D62-R98 PolarHBondContact OD1-NH2 2.9Å; D62-R98 VanDerWaalsContact OD1-NH2 3.11Å; D62-R98 IonicContact OD2-CZ 2.79Å; D62-R98 IonicContact OD2-NH1 3.38Å; D62-R98 PolarHBondContact OD2-NH1 3.19Å
63	I	73.3	Confident	64.5	Low	3 Å²	3	75.4 Å²	75.4	2%	0.015	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-27.3	172.8	-60.7	178.9	0	0	0	110.3	I60 Y65 W76 K91	I60-I63 HydrophobicContact CB-CB 4.37Å; I60-I63 HydrophobicContact CB-CD1 4.1Å; I60-I63 HydrophobicContact CB-CG1 4.46Å; I60-I63 HydrophobicContact CG2-CD1 4.01Å; I60-I63 WeakPolarHBondContact O-CB 3.08Å; I60-I63 PolarHBondContact O-N 3.28Å; I63-Y65 PolarHBondContact O-N 3.31Å; I63-W76 HydrophobicContact CG1-CZ2 4.4Å; I63-W76 HydrophobicContact CG2-CH2 4.2Å; I63-K91 HydrophobicContact CG2-CB 4.43Å; I63-K91 HydrophobicContact CG2-CG 3.9Å; I63-K91 VanDerWaalsContact O-CE 3.27Å; I63-K91 WeakPolarHBondContact O-CE 3.26Å
64	A	57.9	Low	62.5	Low	20 Å²	20	81.3 Å²	81.3	17%	0.165	40%	0.402	C	S	.	.	S	Bend	trans	-73.4	108.8	177.2	0	0	0	0	0	110.8	E45 I60 V66	E45-A64 HydrophobicContact CG-CB 4.1Å; I60-A64 PolarHBondContact O-N 3.28Å; A64-V66 VanDerWaalsContact C-N 3.29Å; A64-V66 HydrophobicContact CB-CG2 4.33Å; A64-V66 PolarHBondContact O-N 3.18Å
65	Y	52.2	Low	60.8	Low	134 Å²	134	84.3 Å²	84.3	53%	0.525	42%	0.421	S	S	.	.			trans	-67.7	90.7	165.1	-179.2	-98.3	0	0	0	109	I63 P67 E87	I63-Y65 PolarHBondContact O-N 3.31Å; Y65-P67 HydrophobicContact CE1-CG 3.86Å; Y65-E87 WeakPolarHBondContact CB-OE1 3.35Å
66	V	37.8	Very low	59.5	Low	84 Å²	84	86.6 Å²	86.6	51%	0.509	43%	0.43	S	S	.	.			trans	-118.3	99.3	165.4	-173.8	0	0	0	0	108	A64 S68	A64-V66 VanDerWaalsContact C-N 3.29Å; A64-V66 HydrophobicContact CB-CG2 4.33Å; A64-V66 PolarHBondContact O-N 3.18Å; V66-S68 PolarHBondContact O-N 2.53Å
67	P	34.6	Very low	58.2	Low	96 Å²	96	87.5 Å²	87.5	62%	0.623	43%	0.434	S	S	*	.			trans	-67.8	108.2	170.3	27.7	-30.7	0	0	0	107.5	Y65	Y65-P67 HydrophobicContact CE1-CG 3.86Å
68	S	33.3	Very low	57.6	Low	60 Å²	60	88.1 Å²	88.1	42%	0.42	44%	0.436	S	S	.	.			trans	-142.3	147.7	168.6	67	0	0	0	0	109.3	V66 R70 N71	V66-S68 PolarHBondContact O-N 2.53Å; S68-R70 PolarHBondContact O-N 3.35Å; S68-N71 PolarHBondContact O-N 2.78Å
69	D	37.2	Very low	57.6	Low	183 Å²	183	83.1 Å²	83.1	98%	0.979	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-0.9	178.2	-69.2	-39.9	0	0	0	114.5
70	R	34.6	Very low	57.5	Low	234 Å²	234	82.6 Å²	82.6	88%	0.883	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-8.2	-178.9	-63.7	-172.2	174.5	-155.9	-1.3	113.8	S68 K72	S68-R70 PolarHBondContact O-N 3.35Å; R70-K72 PolarHBondContact O-N 3.46Å
71	N	40.6	Very low	57.5	Low	63 Å²	63	87.1 Å²	87.1	34%	0.337	45%	0.448	S	S	.	.			trans	-91.4	88.6	179.8	-137.4	3.3	0	0	0	109.7	S68 N73	S68-N71 PolarHBondContact O-N 2.78Å; N71-N73 PolarHBondContact O-N 2.93Å; N71-N73 PolarHBondContact OD1-ND2 3.2Å
72	K	41.2	Very low	58	Low	205 Å²	205	83.4 Å²	83.4	89%	0.891	43%	0.432	S	S	*	.			trans	-76.3	12.9	165.5	-67.1	-176.1	178.5	-179.6	0	112.1	R70	R70-K72 PolarHBondContact O-N 3.46Å
73	N	41.7	Very low	59.1	Low	74 Å²	74	82 Å²	82	40%	0.396	43%	0.427	S	S	.	.	S	Bend	trans	-78.3	131.5	173.1	-73	-8.8	0	0	0	108.1	N71 P75	N71-N73 PolarHBondContact O-N 2.93Å; N71-N73 PolarHBondContact OD1-ND2 3.2Å; N73-P75 WeakPolarHBondContact O-CD 3.47Å
74	E	52.3	Low	60.1	Low	123 Å²	123	86.5 Å²	86.5	58%	0.575	46%	0.459	S	S	*	.			trans	-85.1	96.1	-156.1	-167.2	155.2	-154.2	0	0	108.4	K78	E74-K78 VanDerWaalsContact CG-CE 3.42Å; E74-K78 IonicContact OE1-NZ 3.67Å; E74-K78 PolarHBondContact OE1-NZ 3.23Å
75	P	61.1	Low	61.9	Low	64 Å²	64	91.9 Å²	91.9	42%	0.416	48%	0.481	S	S	.	.			trans	-61.3	154.6	-173.2	27.6	-33.7	0	0	0	110	N73 D77	N73-P75 WeakPolarHBondContact O-CD 3.47Å; P75-D77 HydrophobicContact CB-CB 4.03Å; P75-D77 HydrophobicContact CG-CB 4.09Å; P75-D77 CarbonylContact O-C 3.54Å; P75-D77 PolarHBondContact O-N 3.38Å
76	W	65.6	Low	63.9	Low	48 Å²	48	85.5 Å²	85.5	18%	0.182	46%	0.456	C	S	.	.	S	Bend	trans	-53.1	-22.4	169.8	-60.1	-32.3	0	0	0	112.5	I63 K78 L82 E87 L90 K91 S94 W142	I63-W76 HydrophobicContact CG1-CZ2 4.4Å; I63-W76 HydrophobicContact CG2-CH2 4.2Å; W76-K78 VanDerWaalsContact C-N 3.29Å; W76-K78 PolarHBondContact O-N 3Å; W76-L82 HydrophobicContact CB-CD1 4.01Å; W76-E87 HydrophobicContact CE3-CG 4.39Å; W76-E87 HydrophobicContact CZ3-CG 4.05Å; W76-L90 HydrophobicContact CB-CD1 4.32Å; W76-L90 HydrophobicContact CD2-CB 4.05Å; W76-L90 HydrophobicContact CD2-CD1 4Å; W76-L90 HydrophobicContact CE3-CB 3.44Å; W76-L90 VanDerWaalsContact CE3-CB 3.44Å; W76-L90 HydrophobicContact CE3-CD1 3.57Å; W76-L90 HydrophobicContact CE3-CG 4.15Å; W76-L90 HydrophobicContact CG-CD1 4.35Å; W76-L90 VanDerWaalsContact CH2-C 3.41Å; W76-L90 HydrophobicContact CH2-CB 3.68Å; W76-L90 HydrophobicContact CZ2-CB 4.24Å; W76-L90 HydrophobicContact CZ3-CB 3.23Å; W76-L90 HydrophobicContact CZ3-CD1 4.24Å; W76-L90 HydrophobicContact CZ3-CG 4.38Å; W76-K91 HydrophobicContact CH2-CB 4.31Å; W76-K91 HydrophobicContact CH2-CG 3.69Å; W76-K91 HydrophobicContact CZ3-CG 3.85Å; W76-S94 VanDerWaalsContact CZ2-OG 3.27Å; W76-S94 WeakPolarHBondContact CZ2-OG 3.44Å; W76-W142 HydrophobicContact CB-CH2 3.99Å; W76-W142 HydrophobicContact CB-CZ3 3.8Å; W76-W142 AromaticContact CG-CZ3 3.97Å; W76-W142 HydrophobicContact CG-CZ3 3.97Å
77	D	65.1	Low	66.4	Low	50 Å²	50	83.1 Å²	83.1	27%	0.267	44%	0.439	S	S	.	.			trans	-62.8	84.7	166.2	178.1	-3.3	0	0	0	111.4	P75 G80 P81	P75-D77 HydrophobicContact CB-CB 4.03Å; P75-D77 HydrophobicContact CG-CB 4.09Å; P75-D77 CarbonylContact O-C 3.54Å; P75-D77 PolarHBondContact O-N 3.38Å; D77-G80 WeakPolarHBondContact OD1-CA 3.34Å; D77-G80 PolarHBondContact OD1-N 3.41Å; D77-G80 VanDerWaalsContact OD2-C 3.22Å; D77-P81 VanDerWaalsContact CG-CA 3.48Å; D77-P81 VanDerWaalsContact CG-N 3.27Å; D77-P81 WeakPolarHBondContact OD2-CA 3.27Å; D77-P81 WeakPolarHBondContact OD2-CD 3.02Å
78	K	77.9	Confident	69.2	Low	65 Å²	65	79.8 Å²	79.8	28%	0.283	42%	0.423	S	S	.	.	S	Bend	trans	-97.6	-13.2	166.1	-60.4	-53.1	-159.4	148.7	0	113.7	E74 W76 Q149 C151	E74-K78 VanDerWaalsContact CG-CE 3.42Å; E74-K78 IonicContact OE1-NZ 3.67Å; E74-K78 PolarHBondContact OE1-NZ 3.23Å; W76-K78 VanDerWaalsContact C-N 3.29Å; W76-K78 PolarHBondContact O-N 3Å; K78-Q149 VanDerWaalsContact CE-O 3.23Å; K78-Q149 WeakPolarHBondContact CE-O 3.3Å; K78-Q149 PolarHBondContact NZ-O 3.23Å; K78-Q149 VanDerWaalsContact NZ-O 3.08Å; K78-C151 HydrophobicContact CB-CB 3.62Å; K78-C151 VanDerWaalsContact CB-SG 3.56Å; K78-C151 HydrophobicContact CG-CB 4.23Å
79	C	86.7	Confident	72.1	Confident	25 Å²	25	78.6 Å²	78.6	17%	0.169	41%	0.409	C	S	.	.	S	Bend	trans	-128.1	16.1	-171.2	-78.1	0	0	0	0	113.3	M136 T137 C138 C151 C155	C79-M136 HydrophobicContact CB-CB 3.49Å; C79-M136 VanDerWaalsContact CB-CB 3.49Å; C79-T137 VanDerWaalsContact SG-C 3.59Å; C79-C138 VanDerWaalsContact SG-CB 3.56Å; C79-C138 VanDerWaalsContact SG-SG 3.69Å; C79-C151 PolarHBondContact SG-SG 3.44Å; C79-C155 WeakPolarHBondContact CA-SG 3.29Å; C79-C155 HydrophobicContact CB-CB 3.65Å; C79-C155 WeakPolarHBondContact CB-SG 3.3Å; C79-C155 VanDerWaalsContact SG-CA 3.58Å; C79-C155 WeakPolarHBondContact SG-CB 3.25Å; C79-C155 CovalentContact SG-SG 2.04Å; C79-C155 PolarHBondContact SG-SG 3.42Å
80	G	82.9	Confident	74.7	Confident	29 Å²	29	69.9 Å²	69.9	30%	0.299	36%	0.362	S	S	.	.	S	Bend	trans	106.8	156.3	-169.1	0	0	0	0	0	111.6	D77 L82	D77-G80 WeakPolarHBondContact OD1-CA 3.34Å; D77-G80 PolarHBondContact OD1-N 3.41Å; D77-G80 VanDerWaalsContact OD2-C 3.22Å; G80-L82 PolarHBondContact O-N 3.01Å
81	P	84.8	Confident	77.5	Confident	96 Å²	96	60.3 Å²	60.3	62%	0.623	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-59.2	137	-172	22.4	-34	0	0	0	110.4	D77	D77-P81 VanDerWaalsContact CG-CA 3.48Å; D77-P81 VanDerWaalsContact CG-N 3.27Å; D77-P81 WeakPolarHBondContact OD2-CA 3.27Å; D77-P81 WeakPolarHBondContact OD2-CD 3.02Å
82	L	88.1	Confident	80	Confident	25 Å²	25	62.5 Å²	62.5	13%	0.131	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-75.5	150.1	174.9	-62	175.3	0	0	0	110	W76 G80 L90 D135	W76-L82 HydrophobicContact CB-CD1 4.01Å; G80-L82 PolarHBondContact O-N 3.01Å; L82-L90 HydrophobicContact CD1-CD1 3.31Å; L82-D135 WeakPolarHBondContact CA-OD1 3.41Å; L82-D135 HydrophobicContact CD2-CB 3.83Å
83	S	93.4	Very high	82.5	Confident	41 Å²	41	52.8 Å²	52.8	29%	0.287	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-58.8	147.6	166	71.6	0	0	0	0	110	E85 C86 E87 A131 D135	S83-E85 PolarHBondContact O-N 3.44Å; S83-C86 PolarHBondContact O-N 3.08Å; S83-C86 VanDerWaalsContact O-N 3.15Å; S83-C86 VanDerWaalsContact OG-CB 3.25Å; S83-C86 WeakPolarHBondContact OG-CB 3.42Å; S83-C86 PolarHBondContact OG-N 3.16Å; S83-E87 WeakPolarHBondContact O-CB 3.45Å; S83-E87 PolarHBondContact O-N 3.01Å; S83-A131 PolarHBondContact OG-O 2.62Å; S83-D135 WeakPolarHBondContact CB-OD2 3.24Å; S83-D135 PolarHBondContact N-OD1 2.81Å; S83-D135 PolarHBondContact OG-OD2 3.19Å
84	S	92.6	Very high	84.9	Confident	97 Å²	97	49.5 Å²	49.5	68%	0.678	27%	0.271	S	S	*	.	H	α-helix	trans	-60.8	-29.1	179.4	57.3	0	0	0	0	112.6	G88	S84-G88 PolarHBondContact O-N 3.36Å; S84-G88 VanDerWaalsContact O-N 3.11Å
85	E	95.8	Very high	86.9	Confident	134 Å²	134	44 Å²	44	63%	0.626	25%	0.246	S	C	*	.	H	α-helix	trans	-68.7	-48.9	176.1	-61.8	-177.9	167.2	0	0	110.7	S83 G88 Y89 A131	S83-E85 PolarHBondContact O-N 3.44Å; E85-G88 PolarHBondContact O-N 2.87Å; E85-Y89 WeakPolarHBondContact O-CD2 3.2Å; E85-Y89 PolarHBondContact O-N 3.11Å; E85-A131 HydrophobicContact CB-CB 3.92Å
86	C	94.6	Very high	88.5	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-43.9	177.2	-175	0	0	0	0	112.6	S83 G88 Y89 L90 C132 D135	S83-C86 PolarHBondContact O-N 3.08Å; S83-C86 VanDerWaalsContact O-N 3.15Å; S83-C86 VanDerWaalsContact OG-CB 3.25Å; S83-C86 WeakPolarHBondContact OG-CB 3.42Å; S83-C86 PolarHBondContact OG-N 3.16Å; C86-G88 VanDerWaalsContact C-N 3.27Å; C86-G88 PolarHBondContact O-N 2.92Å; C86-Y89 PolarHBondContact O-N 2.85Å; C86-L90 PolarHBondContact O-N 2.72Å; C86-C132 WeakPolarHBondContact CA-SG 3.4Å; C86-C132 HydrophobicContact CB-CB 3.86Å; C86-C132 WeakPolarHBondContact CB-SG 2.98Å; C86-C132 WeakPolarHBondContact SG-CB 3.4Å; C86-C132 CovalentContact SG-SG 2.04Å; C86-C132 PolarHBondContact SG-SG 3.28Å; C86-D135 WeakPolarHBondContact CB-OD2 3.05Å
87	E	90.9	Very high	89.8	Confident	33 Å²	33	40.8 Å²	40.8	15%	0.154	23%	0.226	C	C	.	.	H	α-helix	trans	-57.3	-41.4	175.7	-170.8	-170.3	146.2	0	0	111.3	Y65 W76 S83 Y89 L90 K91	Y65-E87 WeakPolarHBondContact CB-OE1 3.35Å; W76-E87 HydrophobicContact CE3-CG 4.39Å; W76-E87 HydrophobicContact CZ3-CG 4.05Å; S83-E87 WeakPolarHBondContact O-CB 3.45Å; S83-E87 PolarHBondContact O-N 3.01Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 PolarHBondContact O-N 2.94Å; E87-L90 PolarHBondContact O-N 2.83Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 2.95Å; E87-K91 WeakPolarHBondContact OE1-CE 3.5Å; E87-K91 IonicContact OE1-NZ 2.75Å; E87-K91 PolarHBondContact OE1-NZ 3.31Å
88	G	92.7	Very high	91.1	Very high	27 Å²	27	40.7 Å²	40.7	28%	0.278	22%	0.222	S	C	.	.	H	α-helix	trans	-57.6	-40.4	177.7	0	0	0	0	0	113.6	S84 E85 C86 R92	S84-G88 PolarHBondContact O-N 3.36Å; S84-G88 VanDerWaalsContact O-N 3.11Å; E85-G88 PolarHBondContact O-N 2.87Å; C86-G88 VanDerWaalsContact C-N 3.27Å; C86-G88 PolarHBondContact O-N 2.92Å; G88-R92 WeakPolarHBondContact O-CG 3.27Å; G88-R92 PolarHBondContact O-N 2.79Å; G88-R92 VanDerWaalsContact O-N 3.07Å
89	Y	95.4	Very high	91.9	Very high	34 Å²	34	37.6 Å²	37.6	13%	0.133	21%	0.209	C	C	.	.	H	α-helix	trans	-70.1	-42.1	176.2	-81.2	-82.2	0	0	0	112.7	E85 C86 E87 K91 R92 V93 F124 D127 W128 A131	E85-Y89 WeakPolarHBondContact O-CD2 3.2Å; E85-Y89 PolarHBondContact O-N 3.11Å; C86-Y89 PolarHBondContact O-N 2.85Å; E87-Y89 VanDerWaalsContact C-N 3.32Å; E87-Y89 PolarHBondContact O-N 2.94Å; Y89-K91 VanDerWaalsContact C-N 3.28Å; Y89-K91 PolarHBondContact O-N 3.36Å; Y89-R92 PolarHBondContact O-N 2.92Å; Y89-V93 WeakPolarHBondContact O-CG2 3.21Å; Y89-V93 PolarHBondContact O-N 3.5Å; Y89-F124 HydrophobicContact CD1-CD2 4.29Å; Y89-F124 HydrophobicContact CD1-CE1 4.35Å; Y89-F124 AromaticContact CD1-CE2 3.68Å; Y89-F124 HydrophobicContact CD1-CE2 3.68Å; Y89-F124 AromaticContact CD1-CZ 3.7Å; Y89-F124 HydrophobicContact CD1-CZ 3.7Å; Y89-F124 AromaticContact CE1-CD2 3.93Å; Y89-F124 HydrophobicContact CE1-CD2 3.93Å; Y89-F124 AromaticContact CE1-CE2 3.73Å; Y89-F124 HydrophobicContact CE1-CE2 3.73Å; Y89-F124 HydrophobicContact CE1-CZ 4.18Å; Y89-D127 WeakPolarHBondContact OH-CB 3.05Å; Y89-W128 HydrophobicContact CD1-CB 3.52Å; Y89-W128 AromaticContact CD1-CG 3.85Å; Y89-W128 HydrophobicContact CD1-CG 3.85Å; Y89-W128 HydrophobicContact CD2-CB 4.34Å; Y89-W128 HydrophobicContact CE1-CB 3.91Å; Y89-W128 HydrophobicContact CG-CB 3.77Å; Y89-W128 AromaticContact CG-CD1 3.66Å; Y89-W128 AromaticContact CG-CG 3.76Å; Y89-W128 HydrophobicContact CG-CG 3.76Å; Y89-A131 HydrophobicContact CD2-CB 3.81Å; Y89-A131 HydrophobicContact CE2-CB 3.74Å
90	L	91.8	Very high	92.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.2	-37.5	175.8	-69.4	172.6	0	0	0	111.8	W76 L82 C86 E87 S94 W128 W142 L172	W76-L90 HydrophobicContact CB-CD1 4.32Å; W76-L90 HydrophobicContact CD2-CB 4.05Å; W76-L90 HydrophobicContact CD2-CD1 4Å; W76-L90 HydrophobicContact CE3-CB 3.44Å; W76-L90 VanDerWaalsContact CE3-CB 3.44Å; W76-L90 HydrophobicContact CE3-CD1 3.57Å; W76-L90 HydrophobicContact CE3-CG 4.15Å; W76-L90 HydrophobicContact CG-CD1 4.35Å; W76-L90 VanDerWaalsContact CH2-C 3.41Å; W76-L90 HydrophobicContact CH2-CB 3.68Å; W76-L90 HydrophobicContact CZ2-CB 4.24Å; W76-L90 HydrophobicContact CZ3-CB 3.23Å; W76-L90 HydrophobicContact CZ3-CD1 4.24Å; W76-L90 HydrophobicContact CZ3-CG 4.38Å; L82-L90 HydrophobicContact CD1-CD1 3.31Å; C86-L90 PolarHBondContact O-N 2.72Å; E87-L90 PolarHBondContact O-N 2.83Å; L90-S94 VanDerWaalsContact O-CB 3.29Å; L90-S94 WeakPolarHBondContact O-CB 2.98Å; L90-S94 PolarHBondContact O-N 3.3Å; L90-S94 PolarHBondContact O-OG 3.02Å; L90-W128 HydrophobicContact CD2-CZ2 3.73Å; L90-W142 HydrophobicContact CD1-CH2 4.37Å; L90-W142 HydrophobicContact CD1-CZ3 4.42Å; L90-W142 HydrophobicContact CD2-CZ3 4.43Å; L90-L172 HydrophobicContact CD2-CD2 3.88Å
91	K	91.7	Very high	92.7	Very high	34 Å²	34	36.2 Å²	36.2	15%	0.148	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-51.3	170.9	-75.4	-174.7	176.6	177.1	0	111.3	E45 I63 W76 E87 Y89 V93 S94 C95	E45-K91 IonicContact OE1-NZ 3.39Å; E45-K91 PolarHBondContact OE1-NZ 2.76Å; E45-K91 IonicContact OE2-NZ 2.69Å; I63-K91 HydrophobicContact CG2-CB 4.43Å; I63-K91 HydrophobicContact CG2-CG 3.9Å; I63-K91 VanDerWaalsContact O-CE 3.27Å; I63-K91 WeakPolarHBondContact O-CE 3.26Å; W76-K91 HydrophobicContact CH2-CB 4.31Å; W76-K91 HydrophobicContact CH2-CG 3.69Å; W76-K91 HydrophobicContact CZ3-CG 3.85Å; E87-K91 WeakPolarHBondContact O-CG 3.43Å; E87-K91 PolarHBondContact O-N 2.95Å; E87-K91 WeakPolarHBondContact OE1-CE 3.5Å; E87-K91 IonicContact OE1-NZ 2.75Å; E87-K91 PolarHBondContact OE1-NZ 3.31Å; Y89-K91 VanDerWaalsContact C-N 3.28Å; Y89-K91 PolarHBondContact O-N 3.36Å; K91-V93 VanDerWaalsContact C-N 3.32Å; K91-V93 PolarHBondContact O-N 2.04Å; K91-S94 PolarHBondContact O-N 3.46Å; K91-C95 WeakPolarHBondContact O-CB 3.25Å; K91-C95 PolarHBondContact O-N 3.44Å; K91-C95 PolarHBondContact O-SG 3.2Å
92	R	94.3	Very high	93	Very high	109 Å²	109	32.5 Å²	32.5	41%	0.411	17%	0.169	S	C	.	.	H	α-helix	trans	-55.1	-46.9	179	-72.4	179.8	-166.6	164.6	4.9	112.5	G88 Y89 F96 L205	G88-R92 WeakPolarHBondContact O-CG 3.27Å; G88-R92 PolarHBondContact O-N 2.79Å; G88-R92 VanDerWaalsContact O-N 3.07Å; Y89-R92 PolarHBondContact O-N 2.92Å; R92-F96 WeakPolarHBondContact O-CB 2.99Å; R92-F96 PolarHBondContact O-N 2.64Å; R92-L205 HydrophobicContact CB-CB 4.14Å
93	V	93.8	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-45.3	179	172.7	0	0	0	0	111.8	Y89 K91 F96 Y97 F124 W128 W173 F177 L205	Y89-V93 WeakPolarHBondContact O-CG2 3.21Å; Y89-V93 PolarHBondContact O-N 3.5Å; K91-V93 VanDerWaalsContact C-N 3.32Å; K91-V93 PolarHBondContact O-N 2.04Å; V93-F96 PolarHBondContact O-N 3.01Å; V93-Y97 PolarHBondContact O-N 3.11Å; V93-F124 HydrophobicContact CG2-CE1 4.22Å; V93-F124 HydrophobicContact CG2-CZ 4.09Å; V93-W128 HydrophobicContact CB-CH2 4.42Å; V93-W128 HydrophobicContact CG1-CH2 4.38Å; V93-W128 HydrophobicContact CG2-CE3 4.32Å; V93-W128 HydrophobicContact CG2-CH2 3.72Å; V93-W128 HydrophobicContact CG2-CZ2 4.33Å; V93-W128 HydrophobicContact CG2-CZ3 3.72Å; V93-W173 HydrophobicContact CG1-CD2 4.19Å; V93-W173 HydrophobicContact CG1-CG 4.33Å; V93-W173 HydrophobicContact CG1-CZ2 4.29Å; V93-F177 HydrophobicContact CG1-CD2 4.35Å; V93-F177 HydrophobicContact CG1-CE2 3.36Å; V93-F177 HydrophobicContact CG1-CZ 3.52Å; V93-L205 HydrophobicContact CB-CD1 4.29Å; V93-L205 HydrophobicContact CG2-CD1 3.7Å
94	S	91.9	Very high	93	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-67.9	-41.3	179.7	-57.4	0	0	0	0	112.1	W76 L90 K91 Y97 R98	W76-S94 VanDerWaalsContact CZ2-OG 3.27Å; W76-S94 WeakPolarHBondContact CZ2-OG 3.44Å; L90-S94 VanDerWaalsContact O-CB 3.29Å; L90-S94 WeakPolarHBondContact O-CB 2.98Å; L90-S94 PolarHBondContact O-N 3.3Å; L90-S94 PolarHBondContact O-OG 3.02Å; K91-S94 PolarHBondContact O-N 3.46Å; S94-Y97 PolarHBondContact O-N 2.94Å; S94-R98 WeakPolarHBondContact O-CG 3.03Å; S94-R98 PolarHBondContact O-N 2.71Å
95	C	94.3	Very high	92.8	Very high	7 Å²	7	27.8 Å²	27.8	5%	0.047	13%	0.131	C	C	.	.	H	α-helix	trans	-63.3	-42	175	-68	0	0	0	0	111.5	C46 Y49 K91 C99 S100	C46-C95 WeakPolarHBondContact CA-SG 3.33Å; C46-C95 HydrophobicContact CB-CB 3.5Å; C46-C95 VanDerWaalsContact CB-CB 3.5Å; C46-C95 WeakPolarHBondContact CB-SG 3.33Å; C46-C95 WeakPolarHBondContact SG-CA 3.44Å; C46-C95 WeakPolarHBondContact SG-CB 3.16Å; C46-C95 CovalentContact SG-SG 2.02Å; C46-C95 PolarHBondContact SG-SG 2.81Å; Y49-C95 HydrophobicContact CD2-CB 4.19Å; Y49-C95 VanDerWaalsContact CE2-C 3.48Å; Y49-C95 HydrophobicContact CE2-CB 3.81Å; Y49-C95 WeakPolarHBondContact CE2-O 3.42Å; K91-C95 WeakPolarHBondContact O-CB 3.25Å; K91-C95 PolarHBondContact O-N 3.44Å; K91-C95 PolarHBondContact O-SG 3.2Å; C95-C99 WeakPolarHBondContact O-CA 3.49Å; C95-C99 VanDerWaalsContact O-CB 3.24Å; C95-C99 WeakPolarHBondContact O-CB 2.97Å; C95-C99 PolarHBondContact O-N 3.09Å; C95-S100 PolarHBondContact O-N 3.37Å
96	F	95.3	Very high	92.6	Very high	3 Å²	3	21.6 Å²	21.6	1%	0.013	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	-51.3	173.9	174.4	-92.2	0	0	0	110.8	Y49 R92 V93 R98 S100 A103 W106 I115 V118 F177 L203 L205	Y49-F96 WeakPolarHBondContact OH-CA 3.41Å; R92-F96 WeakPolarHBondContact O-CB 2.99Å; R92-F96 PolarHBondContact O-N 2.64Å; V93-F96 PolarHBondContact O-N 3.01Å; F96-R98 PolarHBondContact O-N 3.49Å; F96-S100 WeakPolarHBondContact O-CB 3.29Å; F96-S100 PolarHBondContact O-N 2.91Å; F96-S100 VanDerWaalsContact O-N 3.1Å; F96-A103 HydrophobicContact CE1-CB 4.03Å; F96-A103 HydrophobicContact CZ-CB 4.26Å; F96-W106 HydrophobicContact CZ-CE3 4.24Å; F96-W106 HydrophobicContact CZ-CZ3 4.07Å; F96-I115 HydrophobicContact CD1-CD1 4.41Å; F96-I115 HydrophobicContact CE1-CD1 4.18Å; F96-V118 HydrophobicContact CE1-CB 4.47Å; F96-V118 HydrophobicContact CE1-CG1 3.79Å; F96-V118 HydrophobicContact CE1-CG2 4Å; F96-V118 HydrophobicContact CZ-CG1 3.8Å; F96-V118 HydrophobicContact CZ-CG2 4.41Å; F96-F177 HydrophobicContact CD1-CE1 4.15Å; F96-F177 HydrophobicContact CE1-CE1 4.37Å; F96-L203 HydrophobicContact CE2-CD1 4Å; F96-L203 HydrophobicContact CZ-CD1 4.14Å; F96-L205 HydrophobicContact CB-CD1 4.12Å; F96-L205 HydrophobicContact CB-CD2 3.89Å; F96-L205 HydrophobicContact CB-CG 4.49Å; F96-L205 HydrophobicContact CD1-CD2 4.3Å; F96-L205 HydrophobicContact CD2-CD2 3.55Å; F96-L205 HydrophobicContact CE2-CD2 4.13Å; F96-L205 HydrophobicContact CG-CD2 3.63Å
97	Y	92.3	Very high	92.3	Very high	42 Å²	42	24 Å²	24	17%	0.165	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-45.1	-178.2	171.8	-110.8	0	0	0	112.6	L28 H33 V93 S94 S113 Y114 I115	L28-Y97 HydrophobicContact CD1-CD2 4.25Å; L28-Y97 HydrophobicContact CD1-CE2 4Å; H33-Y97 PolarHBondContact NE2-O 2.79Å; V93-Y97 PolarHBondContact O-N 3.11Å; S94-Y97 PolarHBondContact O-N 2.94Å; Y97-S113 PolarHBondContact OH-O 3.48Å; Y97-Y114 HydrophobicContact CE2-CD2 4.13Å; Y97-I115 HydrophobicContact CD2-CD1 3.96Å; Y97-I115 HydrophobicContact CD2-CG1 3.9Å; Y97-I115 HydrophobicContact CD2-CG2 4.21Å; Y97-I115 HydrophobicContact CE2-CG1 4.33Å; Y97-I115 HydrophobicContact CE2-CG2 4.49Å
98	R	91.5	Very high	92.2	Very high	48 Å²	48	23.3 Å²	23.3	18%	0.181	11%	0.114	C	C	.	.	H	α-helix	trans	-86.6	-37.7	-173.2	-62.9	178.9	100.9	156.6	-2.1	114.1	H33 C54 C55 D59 D62 S94 F96	H33-R98 PolarHBondContact CD2-O 3.18Å; C54-R98 CarbonylContact C-O 3.43Å; C55-R98 HydrophobicContact CB-CB 4.26Å; C55-R98 WeakPolarHBondContact CB-O 3.42Å; C55-R98 PolarHBondContact N-O 2.92Å; D59-R98 PolarHBondContact O-NE 3.15Å; D59-R98 PolarHBondContact O-NH1 3.18Å; D59-R98 PolarHBondContact O-NH2 3.23Å; D62-R98 IonicContact OD1-CZ 3.24Å; D62-R98 IonicContact OD1-NH1 3.35Å; D62-R98 PolarHBondContact OD1-NH1 2.69Å; D62-R98 IonicContact OD1-NH2 3.58Å; D62-R98 PolarHBondContact OD1-NH2 2.9Å; D62-R98 VanDerWaalsContact OD1-NH2 3.11Å; D62-R98 IonicContact OD2-CZ 2.79Å; D62-R98 IonicContact OD2-NH1 3.38Å; D62-R98 PolarHBondContact OD2-NH1 3.19Å; S94-R98 WeakPolarHBondContact O-CG 3.03Å; S94-R98 PolarHBondContact O-N 2.71Å; F96-R98 PolarHBondContact O-N 3.49Å
99	C	94.8	Very high	91.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-112	-23.1	-165.7	-52.5	0	0	0	0	112.7	C46 Y49 S53 C54 C55 C95	C46-C99 HydrophobicContact CB-CB 4.46Å; Y49-C99 HydrophobicContact CD2-CB 3.71Å; Y49-C99 HydrophobicContact CG-CB 3.96Å; S53-C99 WeakPolarHBondContact CA-O 3.46Å; C54-C99 PolarHBondContact N-O 3.24Å; C55-C99 HydrophobicContact CB-CB 3.98Å; C55-C99 WeakPolarHBondContact CB-SG 3.19Å; C55-C99 WeakPolarHBondContact SG-CB 3.39Å; C55-C99 CovalentContact SG-SG 2.03Å; C55-C99 PolarHBondContact SG-SG 3.18Å; C95-C99 WeakPolarHBondContact O-CA 3.49Å; C95-C99 VanDerWaalsContact O-CB 3.24Å; C95-C99 WeakPolarHBondContact O-CB 2.97Å; C95-C99 PolarHBondContact O-N 3.09Å
100	S	94.5	Very high	91.3	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	15%	0.152	C	C	.	.			trans	-67.1	126.9	-178.2	-175.1	0	0	0	0	111.3	C95 F96 D102 A103	C95-S100 PolarHBondContact O-N 3.37Å; F96-S100 WeakPolarHBondContact O-CB 3.29Å; F96-S100 PolarHBondContact O-N 2.91Å; F96-S100 VanDerWaalsContact O-N 3.1Å; S100-D102 PolarHBondContact O-N 2.89Å; S100-D102 PolarHBondContact OG-N 3.2Å; S100-A103 PolarHBondContact O-N 2.95Å
101	P	92.6	Very high	90.8	Very high	20 Å²	20	34.9 Å²	34.9	13%	0.13	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.4	171.5	31.1	-35.6	0	0	0	112.1	P37 N52 S104	P37-P101 HydrophobicContact CB-CB 3.88Å; P37-P101 HydrophobicContact CG-CB 3.57Å; N52-P101 VanDerWaalsContact O-CD 3.29Å; N52-P101 WeakPolarHBondContact O-CD 3.42Å; N52-P101 WeakPolarHBondContact O-CG 3.27Å; P101-S104 PolarHBondContact O-OG 3.09Å
102	D	91.9	Very high	90.1	Very high	18 Å²	18	44.5 Å²	44.5	10%	0.096	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-10.2	-179	-64.2	-63.1	0	0	0	113.3	S100 S104 R105 W106 I213 R217	S100-D102 PolarHBondContact O-N 2.89Å; S100-D102 PolarHBondContact OG-N 3.2Å; D102-S104 PolarHBondContact O-N 3.16Å; D102-R105 VanDerWaalsContact O-CB 3.24Å; D102-R105 WeakPolarHBondContact O-CB 3.28Å; D102-R105 VanDerWaalsContact O-CG 3.25Å; D102-R105 WeakPolarHBondContact O-CG 3.45Å; D102-R105 PolarHBondContact O-N 3.39Å; D102-R105 IonicContact OD1-CZ 2.79Å; D102-R105 IonicContact OD1-NE 3.34Å; D102-R105 PolarHBondContact OD1-NE 2.99Å; D102-R105 IonicContact OD1-NH2 2.71Å; D102-R105 PolarHBondContact OD1-NH2 2.81Å; D102-R105 VanDerWaalsContact OD1-NH2 3.11Å; D102-W106 VanDerWaalsContact O-CZ3 3.29Å; D102-W106 WeakPolarHBondContact O-CZ3 3.39Å; D102-I213 HydrophobicContact CB-CD1 3.98Å; D102-I213 HydrophobicContact CB-CG2 4.43Å; D102-I213 VanDerWaalsContact CG-CG2 3.49Å; D102-I213 WeakPolarHBondContact OD1-CG2 3.43Å; D102-I213 WeakPolarHBondContact OD2-CG2 3.43Å; D102-R217 VanDerWaalsContact CG-NH2 3.31Å; D102-R217 IonicContact OD1-CZ 3.68Å; D102-R217 IonicContact OD1-NE 3.57Å; D102-R217 IonicContact OD1-NH2 2.8Å; D102-R217 PolarHBondContact OD1-NH2 2.78Å; D102-R217 IonicContact OD2-NH2 3.78Å; D102-R217 PolarHBondContact OD2-NH2 3.11Å; D102-R217 VanDerWaalsContact OD2-NH2 3.08Å
103	A	91.7	Very high	89.2	Confident	1 Å²	1	40 Å²	40	1%	0.008	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-58.9	-33.5	176.1	0	0	0	0	0	112.1	L28 F96 S100 R105 W106 I115	L28-A103 HydrophobicContact CD1-CB 4.2Å; F96-A103 HydrophobicContact CE1-CB 4.03Å; F96-A103 HydrophobicContact CZ-CB 4.26Å; S100-A103 PolarHBondContact O-N 2.95Å; A103-R105 PolarHBondContact O-N 3.16Å; A103-R105 VanDerWaalsContact O-N 3.1Å; A103-W106 PolarHBondContact O-N 3.49Å; A103-I115 HydrophobicContact CB-CG2 4.19Å; A103-I115 WeakPolarHBondContact O-CG2 3.47Å
104	S	89.4	Confident	88.8	Confident	15 Å²	15	41.2 Å²	41.2	11%	0.105	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.2	-3.8	177.4	63.9	0	0	0	0	114.6	V26 P101 D102 W106 P107	V26-S104 VanDerWaalsContact O-CB 3.22Å; V26-S104 WeakPolarHBondContact O-CB 3.29Å; V26-S104 PolarHBondContact O-OG 3.16Å; P101-S104 PolarHBondContact O-OG 3.09Å; D102-S104 PolarHBondContact O-N 3.16Å; S104-W106 VanDerWaalsContact C-N 3.29Å; S104-P107 WeakPolarHBondContact O-CD 3.39Å
105	R	88.6	Confident	88.7	Confident	49 Å²	49	41 Å²	41	19%	0.185	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-74.6	-20.8	171	-63.3	177.5	-179.4	-67	-22	113.3	D102 A103 P107 R217	D102-R105 VanDerWaalsContact O-CB 3.24Å; D102-R105 WeakPolarHBondContact O-CB 3.28Å; D102-R105 VanDerWaalsContact O-CG 3.25Å; D102-R105 WeakPolarHBondContact O-CG 3.45Å; D102-R105 PolarHBondContact O-N 3.39Å; D102-R105 IonicContact OD1-CZ 2.79Å; D102-R105 IonicContact OD1-NE 3.34Å; D102-R105 PolarHBondContact OD1-NE 2.99Å; D102-R105 IonicContact OD1-NH2 2.71Å; D102-R105 PolarHBondContact OD1-NH2 2.81Å; D102-R105 VanDerWaalsContact OD1-NH2 3.11Å; A103-R105 PolarHBondContact O-N 3.16Å; A103-R105 VanDerWaalsContact O-N 3.1Å; R105-P107 VanDerWaalsContact O-CD 3.3Å; R105-P107 WeakPolarHBondContact O-CD 3.44Å; R105-R217 VanDerWaalsContact CZ-CG 3.46Å; R105-R217 VanDerWaalsContact NH2-CG 3.32Å
106	W	90.3	Very high	88.6	Confident	3 Å²	3	43 Å²	43	1%	0.011	20%	0.197	C	C	.	.	S	Bend	trans	-118.4	53.7	-178.5	-67	-85	0	0	0	111.7	F96 D102 A103 S104 H108 I115 Q116 V118 P119 L203 I213 L216	F96-W106 HydrophobicContact CZ-CE3 4.24Å; F96-W106 HydrophobicContact CZ-CZ3 4.07Å; D102-W106 VanDerWaalsContact O-CZ3 3.29Å; D102-W106 WeakPolarHBondContact O-CZ3 3.39Å; A103-W106 PolarHBondContact O-N 3.49Å; S104-W106 VanDerWaalsContact C-N 3.29Å; W106-H108 PolarHBondContact O-N 2.93Å; W106-I115 CarbonylContact O-C 3.52Å; W106-I115 WeakPolarHBondContact O-CA 3.14Å; W106-Q116 WeakPolarHBondContact CB-O 3.47Å; W106-Q116 PolarHBondContact O-N 2.84Å; W106-V118 HydrophobicContact CB-CG2 3.58Å; W106-V118 HydrophobicContact CD2-CB 4.46Å; W106-V118 HydrophobicContact CD2-CG2 3.88Å; W106-V118 HydrophobicContact CE3-CG1 4.39Å; W106-V118 HydrophobicContact CE3-CG2 3.97Å; W106-V118 HydrophobicContact CG-CB 4.48Å; W106-V118 HydrophobicContact CG-CG2 3.73Å; W106-P119 HydrophobicContact CZ2-CG 3.99Å; W106-L203 HydrophobicContact CH2-CD1 3.82Å; W106-L203 HydrophobicContact CZ3-CD1 4.09Å; W106-I213 HydrophobicContact CH2-CD1 3.9Å; W106-I213 HydrophobicContact CZ3-CD1 4.31Å; W106-L216 HydrophobicContact CH2-CD1 3.93Å; W106-L216 HydrophobicContact CZ2-CD1 3.86Å
107	P	88.3	Confident	88.6	Confident	51 Å²	51	44 Å²	44	33%	0.331	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-65.4	138.7	-178.7	30.1	-37.1	0	0	0	110.9	S104 R105 Y236	S104-P107 WeakPolarHBondContact O-CD 3.39Å; R105-P107 VanDerWaalsContact O-CD 3.3Å; R105-P107 WeakPolarHBondContact O-CD 3.44Å; P107-Y236 WeakPolarHBondContact CD-OH 3.18Å; P107-Y236 HydrophobicContact CG-CE2 4.13Å; P107-Y236 PolarHBondContact O-OH 2.91Å
108	H	88.3	Confident	88.7	Confident	19 Å²	19	42 Å²	42	9%	0.088	20%	0.198	C	C	.	.			trans	-73.1	129.9	174	-173.2	-71.3	0	0	0	110.5	W106 H110 R111 Y114 Q116 D175	W106-H108 PolarHBondContact O-N 2.93Å; H108-H110 VanDerWaalsContact C-N 3.28Å; H108-H110 PolarHBondContact ND1-N 3.14Å; H108-H110 VanDerWaalsContact ND1-N 3.11Å; H108-H110 PolarHBondContact O-N 3.13Å; H108-R111 HydrophobicContact CB-CB 4.22Å; H108-R111 PolarHBondContact CD2-NH2 3.41Å; H108-R111 PolarHBondContact CE1-NE 2.86Å; H108-R111 WeakPolarHBondContact ND1-CB 3.22Å; H108-R111 PolarHBondContact ND1-N 2.03Å; H108-R111 PolarHBondContact NE2-NE 3.25Å; H108-R111 VanDerWaalsContact NE2-NE 3.13Å; H108-R111 PolarHBondContact NE2-NH2 3.09Å; H108-Y114 HydrophobicContact CB-CD1 4.48Å; H108-Y114 WeakPolarHBondContact CB-O 3.21Å; H108-Y114 PolarHBondContact N-O 2.86Å; H108-Q116 HydrophobicContact CB-CB 4.02Å; H108-D175 IonicContact CD2-OD2 3.71Å; H108-D175 IonicContact NE2-OD2 3.56Å; H108-D175 PolarHBondContact NE2-OD2 3.29Å
109	P	86.8	Confident	88.8	Confident	65 Å²	65	39.7 Å²	39.7	42%	0.422	19%	0.189	S	C	.	.	S	Bend	trans	-65.9	-27.2	-171.1	24.7	-34.9	0	0	0	114
110	H	84.4	Confident	88.9	Confident	169 Å²	169	39.7 Å²	39.7	78%	0.782	19%	0.189	S	C	*	.	S	Bend	trans	-117.2	-7.6	-175.9	-52	-53.3	0	0	0	115.2	H108	H108-H110 VanDerWaalsContact C-N 3.28Å; H108-H110 PolarHBondContact ND1-N 3.14Å; H108-H110 VanDerWaalsContact ND1-N 3.11Å; H108-H110 PolarHBondContact O-N 3.13Å
111	R	80.6	Confident	89	Confident	69 Å²	69	39.7 Å²	39.7	26%	0.26	19%	0.189	S	C	.	.	S	Bend	trans	-126	107.2	-174.8	-73.7	-174.4	-71.3	165.7	2.9	106.5	H108 S113 Y114 D175	H108-R111 HydrophobicContact CB-CB 4.22Å; H108-R111 PolarHBondContact CD2-NH2 3.41Å; H108-R111 PolarHBondContact CE1-NE 2.86Å; H108-R111 WeakPolarHBondContact ND1-CB 3.22Å; H108-R111 PolarHBondContact ND1-N 2.03Å; H108-R111 PolarHBondContact NE2-NE 3.25Å; H108-R111 VanDerWaalsContact NE2-NE 3.13Å; H108-R111 PolarHBondContact NE2-NH2 3.09Å; R111-S113 PolarHBondContact O-N 2.92Å; R111-Y114 VanDerWaalsContact NH2-CE1 3.34Å; R111-Y114 PolarHBondContact O-N 3.42Å; R111-D175 IonicContact CZ-OD1 3.18Å; R111-D175 VanDerWaalsContact NH2-CG 3.34Å; R111-D175 IonicContact NH2-OD1 3.47Å; R111-D175 PolarHBondContact NH2-OD1 3.04Å; R111-D175 IonicContact NH2-OD2 3.63Å; R111-D175 PolarHBondContact NH2-OD2 3.31Å
112	R	76.3	Confident	89.1	Confident	237 Å²	237	41.5 Å²	41.5	89%	0.894	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	132.3	179.5	-66.5	-171.7	179.4	-168.4	-0.3	108.4	Y114	R112-Y114 PolarHBondContact O-N 2.91Å; R112-Y114 VanDerWaalsContact O-N 3.11Å
113	S	76.2	Confident	89.4	Confident	14 Å²	14	42 Å²	42	10%	0.098	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	21.2	171.9	-35.2	0	0	0	0	114.9	Q29 D30 Y97 R111	Q29-S113 PolarHBondContact O-OG 3.47Å; D30-S113 WeakPolarHBondContact CA-OG 3.25Å; D30-S113 WeakPolarHBondContact CB-OG 3Å; D30-S113 PolarHBondContact N-OG 2.81Å; D30-S113 VanDerWaalsContact OD2-CB 3.26Å; D30-S113 WeakPolarHBondContact OD2-CB 3.46Å; Y97-S113 PolarHBondContact OH-O 3.48Å; R111-S113 PolarHBondContact O-N 2.92Å
114	Y	85.9	Confident	89.7	Confident	26 Å²	26	42.3 Å²	42.3	10%	0.102	20%	0.202	C	C	.	.			trans	-103.4	154.6	163	-156.8	-113.5	0	0	0	108.7	Y97 H108 R111 R112 A143 W173 A176	Y97-Y114 HydrophobicContact CE2-CD2 4.13Å; H108-Y114 HydrophobicContact CB-CD1 4.48Å; H108-Y114 WeakPolarHBondContact CB-O 3.21Å; H108-Y114 PolarHBondContact N-O 2.86Å; R111-Y114 VanDerWaalsContact NH2-CE1 3.34Å; R111-Y114 PolarHBondContact O-N 3.42Å; R112-Y114 PolarHBondContact O-N 2.91Å; R112-Y114 VanDerWaalsContact O-N 3.11Å; Y114-A143 WeakPolarHBondContact OH-CB 3.04Å; Y114-W173 PolarHBondContact OH-O 2.8Å; Y114-A176 HydrophobicContact CE1-CB 3.98Å
115	I	89.7	Confident	90.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-94.4	157.8	174	54.7	173.1	0	0	0	110.6	L28 F96 Y97 A103 W106 V118 A176 F177	L28-I115 HydrophobicContact CD1-CG2 3.84Å; L28-I115 HydrophobicContact CD2-CG2 4.41Å; F96-I115 HydrophobicContact CD1-CD1 4.41Å; F96-I115 HydrophobicContact CE1-CD1 4.18Å; Y97-I115 HydrophobicContact CD2-CD1 3.96Å; Y97-I115 HydrophobicContact CD2-CG1 3.9Å; Y97-I115 HydrophobicContact CD2-CG2 4.21Å; Y97-I115 HydrophobicContact CE2-CG1 4.33Å; Y97-I115 HydrophobicContact CE2-CG2 4.49Å; A103-I115 HydrophobicContact CB-CG2 4.19Å; A103-I115 WeakPolarHBondContact O-CG2 3.47Å; W106-I115 CarbonylContact O-C 3.52Å; W106-I115 WeakPolarHBondContact O-CA 3.14Å; I115-V118 HydrophobicContact CB-CG2 4.06Å; I115-V118 HydrophobicContact CD1-CG2 3.83Å; I115-V118 HydrophobicContact CG1-CG2 4.37Å; I115-A176 HydrophobicContact CD1-CB 4.03Å; I115-A176 HydrophobicContact CG1-CB 3.78Å; I115-F177 HydrophobicContact CD1-CE1 3.79Å; I115-F177 HydrophobicContact CD1-CE2 4.36Å; I115-F177 HydrophobicContact CD1-CZ 3.61Å
116	Q	91.9	Very high	90.6	Very high	48 Å²	48	44.9 Å²	44.9	22%	0.224	21%	0.209	C	C	.	.			trans	-142.5	134.8	173.6	-168.9	178	50.2	0	0	111.3	W106 H108 V118 D175 A176	W106-Q116 WeakPolarHBondContact CB-O 3.47Å; W106-Q116 PolarHBondContact O-N 2.84Å; H108-Q116 HydrophobicContact CB-CB 4.02Å; Q116-V118 VanDerWaalsContact C-N 3.33Å; Q116-V118 PolarHBondContact O-N 3.03Å; Q116-D175 WeakPolarHBondContact CA-O 3.26Å; Q116-D175 HydrophobicContact CG-CB 4.45Å; Q116-D175 PolarHBondContact NE2-OD2 3Å; Q116-A176 CarbonylContact C-O 3.42Å
117	A	93.8	Very high	91	Very high	24 Å²	24	47.4 Å²	47.4	20%	0.198	22%	0.223	C	C	.	.			trans	57.1	41.7	172.3	0	0	0	0	0	113.9	D175 A176 M178	A117-D175 PolarHBondContact N-O 2.88Å; A117-A176 PolarHBondContact N-O 3.08Å; A117-A176 VanDerWaalsContact N-O 3.09Å; A117-M178 HydrophobicContact CB-CG 4.22Å; A117-M178 HydrophobicContact CB-SD 3.82Å
118	V	94.5	Very high	91.5	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	124.4	168.2	176.5	0	0	0	0	108.7	F96 W106 I115 Q116 L120 A176 F177 M178 L203	F96-V118 HydrophobicContact CE1-CB 4.47Å; F96-V118 HydrophobicContact CE1-CG1 3.79Å; F96-V118 HydrophobicContact CE1-CG2 4Å; F96-V118 HydrophobicContact CZ-CG1 3.8Å; F96-V118 HydrophobicContact CZ-CG2 4.41Å; W106-V118 HydrophobicContact CB-CG2 3.58Å; W106-V118 HydrophobicContact CD2-CB 4.46Å; W106-V118 HydrophobicContact CD2-CG2 3.88Å; W106-V118 HydrophobicContact CE3-CG1 4.39Å; W106-V118 HydrophobicContact CE3-CG2 3.97Å; W106-V118 HydrophobicContact CG-CB 4.48Å; W106-V118 HydrophobicContact CG-CG2 3.73Å; I115-V118 HydrophobicContact CB-CG2 4.06Å; I115-V118 HydrophobicContact CD1-CG2 3.83Å; I115-V118 HydrophobicContact CG1-CG2 4.37Å; Q116-V118 VanDerWaalsContact C-N 3.33Å; Q116-V118 PolarHBondContact O-N 3.03Å; V118-L120 HydrophobicContact CG1-CD2 4.46Å; V118-L120 PolarHBondContact O-N 3.39Å; V118-A176 PolarHBondContact N-O 3.1Å; V118-F177 HydrophobicContact CB-CD1 3.68Å; V118-F177 HydrophobicContact CB-CE1 4Å; V118-F177 HydrophobicContact CG1-CD1 3.94Å; V118-F177 HydrophobicContact CG1-CE1 4.05Å; V118-F177 HydrophobicContact CG2-CE1 4.47Å; V118-F177 WeakPolarHBondContact O-CA 3.48Å; V118-M178 PolarHBondContact O-N 2.82Å; V118-L203 HydrophobicContact CG1-CD1 3.83Å
119	P	94.9	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	104.8	-174	31.4	-34.7	0	0	0	110.9	W106 V180 L203	W106-P119 HydrophobicContact CZ2-CG 3.99Å; P119-V180 HydrophobicContact CB-CB 4.48Å; P119-V180 HydrophobicContact CB-CG2 3.57Å; P119-L203 WeakPolarHBondContact O-CB 3.37Å; P119-L203 PolarHBondContact O-N 2.99Å
120	L	96.1	Very high	92.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	142.3	172.3	-61.8	-175.8	0	0	0	110.8	V118 F124 F177 M178 T179 V180 L203 L205	V118-L120 HydrophobicContact CG1-CD2 4.46Å; V118-L120 PolarHBondContact O-N 3.39Å; L120-F124 HydrophobicContact CB-CD1 4.33Å; L120-F124 HydrophobicContact CD1-CD1 3.97Å; L120-F124 HydrophobicContact CD1-CE1 3.86Å; L120-F177 HydrophobicContact CD1-CB 3.68Å; L120-F177 HydrophobicContact CD1-CD1 3.57Å; L120-F177 HydrophobicContact CD1-CD2 4.44Å; L120-F177 HydrophobicContact CD1-CE1 4.38Å; L120-F177 HydrophobicContact CD1-CG 3.63Å; L120-F177 HydrophobicContact CD2-CD1 3.93Å; L120-F177 HydrophobicContact CD2-CE1 4.39Å; L120-F177 HydrophobicContact CG-CB 4.04Å; L120-F177 HydrophobicContact CG-CD1 3.68Å; L120-F177 HydrophobicContact CG-CG 4.12Å; L120-M178 PolarHBondContact N-O 2.69Å; L120-T179 WeakPolarHBondContact O-CA 3.32Å; L120-V180 PolarHBondContact O-N 3.18Å; L120-L203 WeakPolarHBondContact CA-O 3.3Å; L120-L203 HydrophobicContact CD2-CB 4.27Å; L120-L205 HydrophobicContact CD2-CD1 4.06Å; L120-L205 HydrophobicContact CD2-CD2 3.78Å; L120-L205 HydrophobicContact CD2-CG 3.83Å
121	C	96.3	Very high	93.2	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.034	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.3	175.5	-62.7	0	0	0	0	111.5	S123 F124 C125 V180 D182 C202 L203 T204	C121-S123 VanDerWaalsContact C-N 3.27Å; C121-S123 PolarHBondContact O-N 3.05Å; C121-F124 HydrophobicContact CB-CB 4.23Å; C121-F124 WeakPolarHBondContact O-CB 3.34Å; C121-F124 PolarHBondContact O-N 2.77Å; C121-F124 VanDerWaalsContact O-N 3.17Å; C121-C125 PolarHBondContact O-N 2.95Å; C121-V180 CarbonylContact C-O 3.5Å; C121-D182 WeakPolarHBondContact CB-OD1 3.43Å; C121-C202 WeakPolarHBondContact CA-SG 3.44Å; C121-C202 HydrophobicContact CB-CB 3.85Å; C121-C202 WeakPolarHBondContact CB-SG 3.36Å; C121-C202 WeakPolarHBondContact SG-CB 3.44Å; C121-C202 PolarHBondContact SG-O 3.36Å; C121-C202 VanDerWaalsContact SG-O 3.36Å; C121-C202 CovalentContact SG-SG 2.03Å; C121-C202 PolarHBondContact SG-SG 3.49Å; C121-L203 PolarHBondContact N-O 3.34Å; C121-T204 HydrophobicContact CB-CG2 4.23Å
122	H	96.1	Very high	93.9	Very high	59 Å²	59	33.8 Å²	33.8	27%	0.273	16%	0.157	S	C	.	.	H	α-helix	trans	-58.9	-41.1	177.1	175.7	-85.3	0	0	0	111.2	F124 C125 R126 T179 V180 E181 D182	H122-F124 PolarHBondContact O-N 3.41Å; H122-C125 PolarHBondContact O-N 3.31Å; H122-R126 WeakPolarHBondContact O-CB 3.44Å; H122-R126 PolarHBondContact O-N 3.18Å; H122-T179 HydrophobicContact CB-CG2 3.81Å; H122-V180 PolarHBondContact N-O 3.15Å; H122-E181 IonicContact CG-OE2 3.11Å; H122-D182 WeakPolarHBondContact CB-OD2 3.38Å; H122-D182 PolarHBondContact N-OD2 3.2Å
123	S	97	Very high	95	Very high	28 Å²	28	27.2 Å²	27.2	20%	0.196	13%	0.132	C	C	.	.	H	α-helix	trans	-56.2	-48.7	173.4	63.9	0	0	0	0	112.3	C121 C125 R126 D127 D182	C121-S123 VanDerWaalsContact C-N 3.27Å; C121-S123 PolarHBondContact O-N 3.05Å; S123-C125 VanDerWaalsContact C-N 3.32Å; S123-C125 PolarHBondContact O-N 3.22Å; S123-R126 PolarHBondContact O-N 3.19Å; S123-D127 WeakPolarHBondContact O-CB 3.42Å; S123-D127 PolarHBondContact O-N 3.41Å; S123-D182 WeakPolarHBondContact CB-OD1 3.35Å; S123-D182 WeakPolarHBondContact CB-OD2 3.32Å; S123-D182 PolarHBondContact N-OD2 3.05Å; S123-D182 PolarHBondContact OG-OD1 3.08Å
124	F	98	Very high	95.9	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.035	16%	0.158	C	C	.	.	H	α-helix	trans	-57.2	-46.7	176.7	177.1	-89.2	0	0	0	111.3	Y89 V93 L120 C121 H122 D127 W128 T204 L205	Y89-F124 HydrophobicContact CD1-CD2 4.29Å; Y89-F124 HydrophobicContact CD1-CE1 4.35Å; Y89-F124 AromaticContact CD1-CE2 3.68Å; Y89-F124 HydrophobicContact CD1-CE2 3.68Å; Y89-F124 AromaticContact CD1-CZ 3.7Å; Y89-F124 HydrophobicContact CD1-CZ 3.7Å; Y89-F124 AromaticContact CE1-CD2 3.93Å; Y89-F124 HydrophobicContact CE1-CD2 3.93Å; Y89-F124 AromaticContact CE1-CE2 3.73Å; Y89-F124 HydrophobicContact CE1-CE2 3.73Å; Y89-F124 HydrophobicContact CE1-CZ 4.18Å; V93-F124 HydrophobicContact CG2-CE1 4.22Å; V93-F124 HydrophobicContact CG2-CZ 4.09Å; L120-F124 HydrophobicContact CB-CD1 4.33Å; L120-F124 HydrophobicContact CD1-CD1 3.97Å; L120-F124 HydrophobicContact CD1-CE1 3.86Å; C121-F124 HydrophobicContact CB-CB 4.23Å; C121-F124 WeakPolarHBondContact O-CB 3.34Å; C121-F124 PolarHBondContact O-N 2.77Å; C121-F124 VanDerWaalsContact O-N 3.17Å; H122-F124 PolarHBondContact O-N 3.41Å; F124-D127 PolarHBondContact O-N 3.36Å; F124-W128 AromaticContact CE1-CE3 3.84Å; F124-W128 HydrophobicContact CE1-CE3 3.84Å; F124-W128 HydrophobicContact CE1-CZ3 4.39Å; F124-W128 VanDerWaalsContact O-CB 3.29Å; F124-W128 WeakPolarHBondContact O-CB 3.16Å; F124-W128 PolarHBondContact O-N 2.94Å; F124-T204 WeakPolarHBondContact CD2-O 3.22Å; F124-T204 WeakPolarHBondContact CE2-O 3.12Å; F124-L205 HydrophobicContact CE1-CD1 4.23Å; F124-L205 HydrophobicContact CE2-CB 4.17Å; F124-L205 HydrophobicContact CE2-CD1 4.46Å; F124-L205 HydrophobicContact CE2-CG 4.33Å; F124-L205 HydrophobicContact CZ-CB 4.33Å; F124-L205 HydrophobicContact CZ-CD1 3.8Å; F124-L205 HydrophobicContact CZ-CG 4.12Å
125	C	98.4	Very high	96.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-40.5	179.7	-71	0	0	0	0	112.8	C121 H122 S123 F129 G165 C169 T179	C121-C125 PolarHBondContact O-N 2.95Å; H122-C125 PolarHBondContact O-N 3.31Å; S123-C125 VanDerWaalsContact C-N 3.32Å; S123-C125 PolarHBondContact O-N 3.22Å; C125-F129 PolarHBondContact O-N 3.07Å; C125-F129 VanDerWaalsContact O-N 3.13Å; C125-G165 WeakPolarHBondContact O-CA 3.31Å; C125-C169 WeakPolarHBondContact CA-SG 3.39Å; C125-C169 HydrophobicContact CB-CB 3.92Å; C125-C169 WeakPolarHBondContact CB-SG 3.28Å; C125-C169 WeakPolarHBondContact SG-CB 3.29Å; C125-C169 CovalentContact SG-SG 2.03Å; C125-C169 PolarHBondContact SG-SG 3.02Å; C125-T179 HydrophobicContact CB-CG2 4.41Å; C125-T179 PolarHBondContact SG-OG1 3Å; C125-T179 VanDerWaalsContact SG-OG1 3.41Å
126	R	98.4	Very high	96.5	Very high	117 Å²	117	35 Å²	35	44%	0.442	17%	0.173	S	C	.	.	H	α-helix	trans	-60.5	-52.2	174.1	179.7	-164.9	66.4	-155.9	-5.2	110.7	H122 S123 W128 F129 D130	H122-R126 WeakPolarHBondContact O-CB 3.44Å; H122-R126 PolarHBondContact O-N 3.18Å; S123-R126 PolarHBondContact O-N 3.19Å; R126-W128 VanDerWaalsContact C-N 3.31Å; R126-W128 PolarHBondContact O-N 2.85Å; R126-F129 PolarHBondContact O-N 2.88Å; R126-F129 VanDerWaalsContact O-N 3.14Å; R126-D130 PolarHBondContact O-N 3.43Å
127	D	98.6	Very high	96.4	Very high	56 Å²	56	32.8 Å²	32.8	30%	0.299	16%	0.163	S	C	.	.	H	α-helix	trans	-68.6	-33.8	-173.8	-61.7	-8.3	0	0	0	111.2	Y89 S123 F124 D130 A131	Y89-D127 WeakPolarHBondContact OH-CB 3.05Å; S123-D127 WeakPolarHBondContact O-CB 3.42Å; S123-D127 PolarHBondContact O-N 3.41Å; F124-D127 PolarHBondContact O-N 3.36Å; D127-D130 PolarHBondContact O-N 3.35Å; D127-A131 VanDerWaalsContact O-CB 3.28Å; D127-A131 WeakPolarHBondContact O-CB 3.03Å; D127-A131 PolarHBondContact O-N 3.11Å
128	W	98.4	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.3	-48.7	169.8	-177.7	8.9	0	0	0	111.8	Y89 L90 V93 F124 R126 D130 A131 C132 L168 L172 W173	Y89-W128 HydrophobicContact CD1-CB 3.52Å; Y89-W128 AromaticContact CD1-CG 3.85Å; Y89-W128 HydrophobicContact CD1-CG 3.85Å; Y89-W128 HydrophobicContact CD2-CB 4.34Å; Y89-W128 HydrophobicContact CE1-CB 3.91Å; Y89-W128 HydrophobicContact CG-CB 3.77Å; Y89-W128 AromaticContact CG-CD1 3.66Å; Y89-W128 AromaticContact CG-CG 3.76Å; Y89-W128 HydrophobicContact CG-CG 3.76Å; L90-W128 HydrophobicContact CD2-CZ2 3.73Å; V93-W128 HydrophobicContact CB-CH2 4.42Å; V93-W128 HydrophobicContact CG1-CH2 4.38Å; V93-W128 HydrophobicContact CG2-CE3 4.32Å; V93-W128 HydrophobicContact CG2-CH2 3.72Å; V93-W128 HydrophobicContact CG2-CZ2 4.33Å; V93-W128 HydrophobicContact CG2-CZ3 3.72Å; F124-W128 AromaticContact CE1-CE3 3.84Å; F124-W128 HydrophobicContact CE1-CE3 3.84Å; F124-W128 HydrophobicContact CE1-CZ3 4.39Å; F124-W128 VanDerWaalsContact O-CB 3.29Å; F124-W128 WeakPolarHBondContact O-CB 3.16Å; F124-W128 PolarHBondContact O-N 2.94Å; R126-W128 VanDerWaalsContact C-N 3.31Å; R126-W128 PolarHBondContact O-N 2.85Å; W128-D130 PolarHBondContact O-N 3.28Å; W128-A131 PolarHBondContact O-N 3.33Å; W128-C132 PolarHBondContact NE1-SG 3.07Å; W128-C132 PolarHBondContact O-N 3.45Å; W128-L168 HydrophobicContact CB-CD2 4.33Å; W128-L168 HydrophobicContact CD2-CD2 3.78Å; W128-L168 HydrophobicContact CD2-CG 4.39Å; W128-L168 HydrophobicContact CE3-CD2 4.39Å; W128-L168 HydrophobicContact CG-CD2 3.73Å; W128-L172 HydrophobicContact CH2-CD2 3.75Å; W128-L172 HydrophobicContact CZ2-CD2 3.35Å; W128-W173 AromaticContact CH2-CD1 3.94Å
129	F	98.5	Very high	95.8	Very high	10 Å²	10	32.2 Å²	32.2	4%	0.044	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-40.4	178.5	171.6	-99.1	0	0	0	112.7	C125 R126 C132 R133 Q159 Y162 L168	C125-F129 PolarHBondContact O-N 3.07Å; C125-F129 VanDerWaalsContact O-N 3.13Å; R126-F129 PolarHBondContact O-N 2.88Å; R126-F129 VanDerWaalsContact O-N 3.14Å; F129-C132 PolarHBondContact O-N 3.34Å; F129-R133 WeakPolarHBondContact O-CA 2.99Å; F129-R133 WeakPolarHBondContact O-CB 3.41Å; F129-R133 PolarHBondContact O-N 3.2Å; F129-Q159 HydrophobicContact CZ-CB 4.23Å; F129-Y162 WeakPolarHBondContact CE2-O 3.19Å; F129-L168 HydrophobicContact CB-CB 4.42Å; F129-L168 HydrophobicContact CB-CD2 3.83Å; F129-L168 HydrophobicContact CD2-CB 4.38Å; F129-L168 HydrophobicContact CD2-CD2 4.43Å
130	D	98.6	Very high	95.5	Very high	63 Å²	63	36.4 Å²	36.4	34%	0.337	17%	0.173	S	C	.	.	H	α-helix	trans	-64.5	-41.6	177.2	-75.1	-30	0	0	0	111.4	R126 D127 W128 C132 R133	R126-D130 PolarHBondContact O-N 3.43Å; D127-D130 PolarHBondContact O-N 3.35Å; W128-D130 PolarHBondContact O-N 3.28Å; D130-C132 VanDerWaalsContact C-N 3.34Å; D130-C132 PolarHBondContact O-N 3.35Å; D130-R133 WeakPolarHBondContact O-CB 3.46Å; D130-R133 PolarHBondContact O-N 3.4Å; D130-R133 IonicContact OD1-CZ 3.66Å; D130-R133 IonicContact OD1-NH1 3.43Å; D130-R133 PolarHBondContact OD1-NH1 3.16Å; D130-R133 IonicContact OD1-NH2 3.69Å; D130-R133 PolarHBondContact OD1-NH2 3.43Å
131	A	98.3	Very high	95.1	Very high	15 Å²	15	38 Å²	38	12%	0.124	18%	0.181	C	C	.	.	H	α-helix	trans	-62.2	-38.7	175.5	0	0	0	0	0	112.9	S83 E85 Y89 D127 W128	S83-A131 PolarHBondContact OG-O 2.62Å; E85-A131 HydrophobicContact CB-CB 3.92Å; Y89-A131 HydrophobicContact CD2-CB 3.81Å; Y89-A131 HydrophobicContact CE2-CB 3.74Å; D127-A131 VanDerWaalsContact O-CB 3.28Å; D127-A131 WeakPolarHBondContact O-CB 3.03Å; D127-A131 PolarHBondContact O-N 3.11Å; W128-A131 PolarHBondContact O-N 3.33Å
132	C	96.9	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-89.4	-2.1	179.5	-64.9	0	0	0	0	114	C86 W128 F129 D130 L134 D135 Y158	C86-C132 WeakPolarHBondContact CA-SG 3.4Å; C86-C132 HydrophobicContact CB-CB 3.86Å; C86-C132 WeakPolarHBondContact CB-SG 2.98Å; C86-C132 WeakPolarHBondContact SG-CB 3.4Å; C86-C132 CovalentContact SG-SG 2.04Å; C86-C132 PolarHBondContact SG-SG 3.28Å; W128-C132 PolarHBondContact NE1-SG 3.07Å; W128-C132 PolarHBondContact O-N 3.45Å; F129-C132 PolarHBondContact O-N 3.34Å; D130-C132 VanDerWaalsContact C-N 3.34Å; D130-C132 PolarHBondContact O-N 3.35Å; C132-L134 PolarHBondContact O-N 2.83Å; C132-D135 WeakPolarHBondContact CA-OD2 2.98Å; C132-D135 WeakPolarHBondContact O-CB 3.48Å; C132-D135 PolarHBondContact O-N 2.54Å; C132-Y158 HydrophobicContact CB-CD1 3.56Å; C132-Y158 HydrophobicContact CB-CD2 4.38Å; C132-Y158 HydrophobicContact CB-CE1 3.81Å; C132-Y158 HydrophobicContact CB-CG 3.88Å; C132-Y158 VanDerWaalsContact O-CB 3.24Å; C132-Y158 WeakPolarHBondContact O-CB 3.43Å
133	R	97.6	Very high	93.5	Very high	98 Å²	98	39.2 Å²	39.2	37%	0.37	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-40.5	-161.9	-170.4	-174.4	-113.4	120.2	10.9	113.9	F129 D130 Q159	F129-R133 WeakPolarHBondContact O-CA 2.99Å; F129-R133 WeakPolarHBondContact O-CB 3.41Å; F129-R133 PolarHBondContact O-N 3.2Å; D130-R133 WeakPolarHBondContact O-CB 3.46Å; D130-R133 PolarHBondContact O-N 3.4Å; D130-R133 IonicContact OD1-CZ 3.66Å; D130-R133 IonicContact OD1-NH1 3.43Å; D130-R133 PolarHBondContact OD1-NH1 3.16Å; D130-R133 IonicContact OD1-NH2 3.69Å; D130-R133 PolarHBondContact OD1-NH2 3.43Å; R133-Q159 HydrophobicContact CG-CB 3.67Å; R133-Q159 HydrophobicContact CG-CG 4.24Å; R133-Q159 WeakPolarHBondContact O-CG 3.17Å; R133-Q159 PolarHBondContact O-N 2.91Å
134	L	97	Very high	92.3	Very high	124 Å²	124	44.5 Å²	44.5	65%	0.649	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.4	-176.9	-59	-179.3	0	0	0	113.6	C132	C132-L134 PolarHBondContact O-N 2.83Å
135	D	94.5	Very high	90.9	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.091	21%	0.213	C	C	.	.	S	Bend	trans	-68.2	163.3	172.9	-71.4	-72.1	0	0	0	111	L82 S83 C86 C132 Q157 Y158	L82-D135 WeakPolarHBondContact CA-OD1 3.41Å; L82-D135 HydrophobicContact CD2-CB 3.83Å; S83-D135 WeakPolarHBondContact CB-OD2 3.24Å; S83-D135 PolarHBondContact N-OD1 2.81Å; S83-D135 PolarHBondContact OG-OD2 3.19Å; C86-D135 WeakPolarHBondContact CB-OD2 3.05Å; C132-D135 WeakPolarHBondContact CA-OD2 2.98Å; C132-D135 WeakPolarHBondContact O-CB 3.48Å; C132-D135 PolarHBondContact O-N 2.54Å; D135-Q157 CarbonylContact O-C 3.46Å; D135-Q157 VanDerWaalsContact O-CA 3.23Å; D135-Q157 WeakPolarHBondContact O-CA 3.03Å; D135-Y158 HydrophobicContact CB-CD2 4.06Å; D135-Y158 HydrophobicContact CB-CE2 4.13Å; D135-Y158 WeakPolarHBondContact O-CD2 3.4Å; D135-Y158 PolarHBondContact O-N 3.43Å
136	M	92.6	Very high	89.2	Confident	63 Å²	63	49.8 Å²	49.8	31%	0.31	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.6	-173.8	-59.1	-64.7	-69.3	0	0	111.6	C79 C155 V156 Q157	C79-M136 HydrophobicContact CB-CB 3.49Å; C79-M136 VanDerWaalsContact CB-CB 3.49Å; M136-C155 VanDerWaalsContact CE-C 3.46Å; M136-C155 HydrophobicContact CE-CB 3.92Å; M136-C155 VanDerWaalsContact CE-O 3.32Å; M136-C155 WeakPolarHBondContact CE-O 3.24Å; M136-V156 CarbonylContact C-O 3.57Å; M136-V156 WeakPolarHBondContact CA-O 3.01Å; M136-Q157 HydrophobicContact SD-CB 4.34Å; M136-Q157 HydrophobicContact SD-CG 3.5Å; M136-Q157 VanDerWaalsContact SD-CG 3.5Å
137	T	89.8	Confident	87.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.1	174.1	-176.7	0	0	0	0	110.1	C79 A139 W142 V156 Y158 M161 Y162	C79-T137 VanDerWaalsContact SG-C 3.59Å; T137-A139 PolarHBondContact OG1-N 3.1Å; T137-A139 PolarHBondContact OG1-O 2.88Å; T137-A139 VanDerWaalsContact OG1-O 3.13Å; T137-W142 PolarHBondContact OG1-NE1 3.17Å; T137-V156 PolarHBondContact N-O 2.83Å; T137-V156 PolarHBondContact O-N 2.87Å; T137-V156 VanDerWaalsContact O-O 3.06Å; T137-Y158 HydrophobicContact CG2-CD2 3.75Å; T137-Y158 HydrophobicContact CG2-CE2 3.89Å; T137-Y158 HydrophobicContact CG2-CG 4.26Å; T137-M161 HydrophobicContact CG2-CB 3.78Å; T137-M161 HydrophobicContact CG2-CE 4.13Å; T137-M161 HydrophobicContact CG2-CG 3.88Å; T137-Y162 HydrophobicContact CG2-CE2 4.25Å
138	C	88.5	Confident	85.7	Confident	10 Å²	10	48.2 Å²	48.2	7%	0.068	24%	0.235	C	C	.	.	S	Bend	trans	-121.5	-1.9	179.1	49.2	0	0	0	0	113.5	C79 C151	C79-C138 VanDerWaalsContact SG-CB 3.56Å; C79-C138 VanDerWaalsContact SG-SG 3.69Å; C138-C151 HydrophobicContact CB-CB 4.17Å; C138-C151 WeakPolarHBondContact CB-SG 3.26Å; C138-C151 WeakPolarHBondContact SG-CA 3.22Å; C138-C151 WeakPolarHBondContact SG-CB 3.49Å; C138-C151 CovalentContact SG-SG 2.01Å; C138-C151 PolarHBondContact SG-SG 2.88Å
139	A	86.5	Confident	84	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	26%	0.264	C	S	.	.			trans	-139.5	136.6	178.4	0	0	0	0	0	110.2	T137 W142 Y162	T137-A139 PolarHBondContact OG1-N 3.1Å; T137-A139 PolarHBondContact OG1-O 2.88Å; T137-A139 VanDerWaalsContact OG1-O 3.13Å; A139-W142 VanDerWaalsContact O-CD1 3.24Å; A139-W142 PolarHBondContact O-NE1 2.77Å; A139-Y162 PolarHBondContact O-OH 2.86Å
140	R	89.8	Confident	82.5	Confident	89 Å²	89	59.1 Å²	59.1	34%	0.336	29%	0.29	S	S	.	.	S	Bend	trans	-73.9	-33.2	177.4	-170.1	169.6	161.8	84.8	4.4	112.5	M161 Y162 D167 S171 L172	R140-M161 HydrophobicContact CB-CG 4.2Å; R140-M161 HydrophobicContact CB-SD 3.56Å; R140-M161 VanDerWaalsContact CB-SD 3.56Å; R140-M161 HydrophobicContact CG-CG 4.29Å; R140-M161 HydrophobicContact CG-SD 4.08Å; R140-M161 PolarHBondContact NH1-O 2.02Å; R140-Y162 WeakPolarHBondContact CA-OH 3.42Å; R140-Y162 HydrophobicContact CG-CD1 4.41Å; R140-Y162 HydrophobicContact CG-CE1 3.81Å; R140-Y162 WeakPolarHBondContact O-CE1 3.48Å; R140-Y162 PolarHBondContact O-OH 3.17Å; R140-D167 IonicContact CZ-OD1 3.85Å; R140-D167 IonicContact CZ-OD2 2.83Å; R140-D167 IonicContact NH1-OD1 3.71Å; R140-D167 IonicContact NH1-OD2 3.89Å; R140-D167 PolarHBondContact NH1-OD2 2.99Å; R140-D167 IonicContact NH2-OD1 2.75Å; R140-D167 PolarHBondContact NH2-OD1 3.04Å; R140-D167 IonicContact NH2-OD2 2.88Å; R140-D167 PolarHBondContact NH2-OD2 3.1Å; R140-S171 PolarHBondContact NH2-OG 2.85Å; R140-S171 CarbonylContact O-C 3.44Å; R140-L172 WeakPolarHBondContact O-CA 3.42Å
141	N	86.8	Confident	81.3	Confident	34 Å²	34	57.2 Å²	57.2	18%	0.182	28%	0.281	C	S	.	.			trans	-131.8	100.7	-177.9	-176.9	-32.9	0	0	0	109.3	A143 R144 D145 S171 L172 G174	N141-A143 VanDerWaalsContact C-N 3.29Å; N141-A143 PolarHBondContact O-N 3.24Å; N141-A143 PolarHBondContact OD1-N 2.8Å; N141-A143 VanDerWaalsContact OD1-N 3.08Å; N141-R144 WeakPolarHBondContact OD1-CB 3.3Å; N141-R144 PolarHBondContact OD1-N 3.07Å; N141-D145 WeakPolarHBondContact O-CA 3Å; N141-D145 WeakPolarHBondContact O-CB 3.46Å; N141-D145 PolarHBondContact O-N 2.75Å; N141-S171 WeakPolarHBondContact CA-O 3.3Å; N141-S171 WeakPolarHBondContact CB-O 3.48Å; N141-S171 VanDerWaalsContact CG-O 3.31Å; N141-S171 PolarHBondContact ND2-O 3.18Å; N141-L172 CarbonylContact C-O 3.5Å; N141-L172 WeakPolarHBondContact CA-O 3.46Å; N141-G174 VanDerWaalsContact ND2-CA 3.26Å; N141-G174 WeakPolarHBondContact ND2-CA 3.43Å
142	W	83	Confident	80.1	Confident	46 Å²	46	61.6 Å²	61.6	17%	0.174	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-26.6	-177.2	-67.7	11.9	0	0	0	112.2	W76 L90 T137 A139 L172	W76-W142 HydrophobicContact CB-CH2 3.99Å; W76-W142 HydrophobicContact CB-CZ3 3.8Å; W76-W142 AromaticContact CG-CZ3 3.97Å; W76-W142 HydrophobicContact CG-CZ3 3.97Å; L90-W142 HydrophobicContact CD1-CH2 4.37Å; L90-W142 HydrophobicContact CD1-CZ3 4.42Å; L90-W142 HydrophobicContact CD2-CZ3 4.43Å; T137-W142 PolarHBondContact OG1-NE1 3.17Å; A139-W142 VanDerWaalsContact O-CD1 3.24Å; A139-W142 PolarHBondContact O-NE1 2.77Å; W142-L172 HydrophobicContact CD2-CD1 3.72Å; W142-L172 HydrophobicContact CD2-CG 4.49Å; W142-L172 HydrophobicContact CE3-CD1 4.42Å; W142-L172 HydrophobicContact CG-CD1 3.73Å; W142-L172 HydrophobicContact CG-CG 4.47Å; W142-L172 HydrophobicContact CZ2-CD1 4.31Å; W142-L172 PolarHBondContact N-O 2.75Å
143	A	76.4	Confident	78.9	Confident	43 Å²	43	62.9 Å²	62.9	36%	0.355	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-29.6	-178.5	0	0	0	0	0	114	Y114 N141	Y114-A143 WeakPolarHBondContact OH-CB 3.04Å; N141-A143 VanDerWaalsContact C-N 3.29Å; N141-A143 PolarHBondContact O-N 3.24Å; N141-A143 PolarHBondContact OD1-N 2.8Å; N141-A143 VanDerWaalsContact OD1-N 3.08Å
144	R	71.1	Confident	78.4	Confident	138 Å²	138	63.9 Å²	63.9	52%	0.521	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-22.7	-172.9	-61.4	-172.9	176.5	-165.5	-1.9	114.2	N141 P146 D175	N141-R144 WeakPolarHBondContact OD1-CB 3.3Å; N141-R144 PolarHBondContact OD1-N 3.07Å; R144-P146 WeakPolarHBondContact O-CD 3.13Å; R144-D175 IonicContact CZ-OD1 2.91Å; R144-D175 IonicContact NE-OD1 2.59Å; R144-D175 IonicContact NH2-OD1 3.54Å; R144-D175 PolarHBondContact NH2-OD1 3.37Å; R144-D175 IonicContact NH2-OD2 2.61Å; R144-D175 PolarHBondContact NH2-OD2 2.93Å
145	D	68.6	Low	78.2	Confident	28 Å²	28	60.3 Å²	60.3	15%	0.15	32%	0.321	C	S	.	.			trans	-89.3	118.2	-178.6	-162.9	-25.9	0	0	0	109.9	N141 R147 G148	N141-D145 WeakPolarHBondContact O-CA 3Å; N141-D145 WeakPolarHBondContact O-CB 3.46Å; N141-D145 PolarHBondContact O-N 2.75Å; D145-R147 PolarHBondContact O-N 3.4Å; D145-R147 VanDerWaalsContact O-N 3.09Å; D145-R147 WeakPolarHBondContact OD1-CB 3.46Å; D145-R147 WeakPolarHBondContact OD1-CG 2.99Å; D145-R147 PolarHBondContact OD1-N 3.09Å; D145-R147 IonicContact OD1-NE 3.11Å; D145-R147 PolarHBondContact OD1-NE 2.88Å; D145-R147 VanDerWaalsContact OD1-NE 3.11Å; D145-R147 IonicContact OD2-CZ 3.2Å; D145-R147 IonicContact OD2-NE 2.81Å; D145-R147 PolarHBondContact OD2-NE 3.25Å; D145-R147 IonicContact OD2-NH2 2.69Å; D145-R147 PolarHBondContact OD2-NH2 2.74Å; D145-G148 PolarHBondContact O-N 3.27Å
146	P	63.3	Low	78.2	Confident	92 Å²	92	61.3 Å²	61.3	60%	0.597	33%	0.328	S	S	*	.	H	α-helix	trans	-56.2	-25.5	172.7	-23.9	34.4	0	0	0	112.7	R144 G148 Q149	R144-P146 WeakPolarHBondContact O-CD 3.13Å; P146-G148 PolarHBondContact O-N 3.24Å; P146-Q149 PolarHBondContact O-N 3.49Å; P146-Q149 VanDerWaalsContact O-N 3.15Å
147	R	63.8	Low	78.4	Confident	127 Å²	127	61 Å²	61	48%	0.479	33%	0.326	S	S	.	.	H	α-helix	trans	-66.4	-21.1	173.8	-57.4	179.8	-69.1	175.8	1.2	112.5	D145 Q149 C151 T152	D145-R147 PolarHBondContact O-N 3.4Å; D145-R147 VanDerWaalsContact O-N 3.09Å; D145-R147 WeakPolarHBondContact OD1-CB 3.46Å; D145-R147 WeakPolarHBondContact OD1-CG 2.99Å; D145-R147 PolarHBondContact OD1-N 3.09Å; D145-R147 IonicContact OD1-NE 3.11Å; D145-R147 PolarHBondContact OD1-NE 2.88Å; D145-R147 VanDerWaalsContact OD1-NE 3.11Å; D145-R147 IonicContact OD2-CZ 3.2Å; D145-R147 IonicContact OD2-NE 2.81Å; D145-R147 PolarHBondContact OD2-NE 3.25Å; D145-R147 IonicContact OD2-NH2 2.69Å; D145-R147 PolarHBondContact OD2-NH2 2.74Å; R147-Q149 VanDerWaalsContact C-N 3.32Å; R147-C151 WeakPolarHBondContact O-CA 3.17Å; R147-C151 PolarHBondContact O-N 3.31Å; R147-T152 WeakPolarHBondContact CG-OG1 3.28Å
148	G	60	Low	78.7	Confident	12 Å²	12	60.9 Å²	60.9	12%	0.124	33%	0.325	C	S	.	.	H	α-helix	trans	-70.7	-26.9	172.7	0	0	0	0	0	113.3	D145 P146	D145-G148 PolarHBondContact O-N 3.27Å; P146-G148 PolarHBondContact O-N 3.24Å
149	Q	62.8	Low	79.1	Confident	129 Å²	129	64.4 Å²	64.4	60%	0.603	34%	0.341	S	S	*	.	H	α-helix	trans	-76.4	-49.1	-179.9	-64.4	-179.5	-16	0	0	111.5	K78 P146 R147	K78-Q149 VanDerWaalsContact CE-O 3.23Å; K78-Q149 WeakPolarHBondContact CE-O 3.3Å; K78-Q149 PolarHBondContact NZ-O 3.23Å; K78-Q149 VanDerWaalsContact NZ-O 3.08Å; P146-Q149 PolarHBondContact O-N 3.49Å; P146-Q149 VanDerWaalsContact O-N 3.15Å; R147-Q149 VanDerWaalsContact C-N 3.32Å
150	N	66.9	Low	79.6	Confident	111 Å²	111	70.6 Å²	70.6	59%	0.594	37%	0.369	S	S	*	.	H	α-helix	trans	-109.8	2.9	-174.1	-68	-23.5	0	0	0	114.3	T152	N150-T152 VanDerWaalsContact C-N 3.3Å; N150-T152 HydrophobicContact CB-CG2 4.01Å; N150-T152 PolarHBondContact O-N 3.38Å
151	C	73.4	Confident	79.9	Confident	22 Å²	22	68.1 Å²	68.1	15%	0.149	36%	0.362	C	S	.	.			trans	50.6	46.7	176.8	-158.7	0	0	0	0	113.9	K78 C79 C138 R147 G153	K78-C151 HydrophobicContact CB-CB 3.62Å; K78-C151 VanDerWaalsContact CB-SG 3.56Å; K78-C151 HydrophobicContact CG-CB 4.23Å; C79-C151 PolarHBondContact SG-SG 3.44Å; C138-C151 HydrophobicContact CB-CB 4.17Å; C138-C151 WeakPolarHBondContact CB-SG 3.26Å; C138-C151 WeakPolarHBondContact SG-CA 3.22Å; C138-C151 WeakPolarHBondContact SG-CB 3.49Å; C138-C151 CovalentContact SG-SG 2.01Å; C138-C151 PolarHBondContact SG-SG 2.88Å; R147-C151 WeakPolarHBondContact O-CA 3.17Å; R147-C151 PolarHBondContact O-N 3.31Å; C151-G153 PolarHBondContact O-N 2.03Å
152	T	73.4	Confident	80.4	Confident	107 Å²	107	66.6 Å²	66.6	66%	0.656	35%	0.354	S	S	*	.			trans	-76.7	0.1	-177.6	68	0	0	0	0	113.1	R147 N150	R147-T152 WeakPolarHBondContact CG-OG1 3.28Å; N150-T152 VanDerWaalsContact C-N 3.3Å; N150-T152 HydrophobicContact CB-CG2 4.01Å; N150-T152 PolarHBondContact O-N 3.38Å
153	G	71.9	Confident	81.1	Confident	27 Å²	27	72 Å²	72	28%	0.278	38%	0.381	S	S	.	.	S	Bend	trans	-94.8	173.7	175.9	0	0	0	0	0	112.4	C151	C151-G153 PolarHBondContact O-N 2.03Å
154	T	86.8	Confident	82.1	Confident	120 Å²	120	74.2 Å²	74.2	74%	0.736	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-73.7	131.6	172.1	-52.7	0	0	0	0	110.1	V156	T154-V156 PolarHBondContact O-N 3.1Å
155	C	91.7	Very high	83.4	Confident	48 Å²	48	67.9 Å²	67.9	32%	0.324	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-67.3	125.6	170.9	-67.1	0	0	0	0	110.4	C79 M136	C79-C155 WeakPolarHBondContact CA-SG 3.29Å; C79-C155 HydrophobicContact CB-CB 3.65Å; C79-C155 WeakPolarHBondContact CB-SG 3.3Å; C79-C155 VanDerWaalsContact SG-CA 3.58Å; C79-C155 WeakPolarHBondContact SG-CB 3.25Å; C79-C155 CovalentContact SG-SG 2.04Å; C79-C155 PolarHBondContact SG-SG 3.42Å; M136-C155 VanDerWaalsContact CE-C 3.46Å; M136-C155 HydrophobicContact CE-CB 3.92Å; M136-C155 VanDerWaalsContact CE-O 3.32Å; M136-C155 WeakPolarHBondContact CE-O 3.24Å
156	V	94.4	Very high	84.8	Confident	38 Å²	38	70.5 Å²	70.5	23%	0.23	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	161.7	177.6	-64	0	0	0	0	109.5	M136 T137 T154 Q160 M161	M136-V156 CarbonylContact C-O 3.57Å; M136-V156 WeakPolarHBondContact CA-O 3.01Å; T137-V156 PolarHBondContact N-O 2.83Å; T137-V156 PolarHBondContact O-N 2.87Å; T137-V156 VanDerWaalsContact O-O 3.06Å; T154-V156 PolarHBondContact O-N 3.1Å; V156-Q160 HydrophobicContact CB-CB 4.27Å; V156-M161 HydrophobicContact CG2-CB 4.26Å; V156-M161 HydrophobicContact CG2-CE 3.61Å
157	Q	96.7	Very high	86.5	Confident	57 Å²	57	67.2 Å²	67.2	27%	0.266	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	151	176.8	-68.3	173	-1.3	0	0	110.9	D135 M136 Q159 Q160 M161	D135-Q157 CarbonylContact O-C 3.46Å; D135-Q157 VanDerWaalsContact O-CA 3.23Å; D135-Q157 WeakPolarHBondContact O-CA 3.03Å; M136-Q157 HydrophobicContact SD-CB 4.34Å; M136-Q157 HydrophobicContact SD-CG 3.5Å; M136-Q157 VanDerWaalsContact SD-CG 3.5Å; Q157-Q159 HydrophobicContact CB-CG 3.97Å; Q157-Q159 PolarHBondContact O-N 2.86Å; Q157-Q160 HydrophobicContact CB-CG 4.29Å; Q157-Q160 WeakPolarHBondContact O-CA 3.4Å; Q157-Q160 WeakPolarHBondContact O-CB 3.45Å; Q157-Q160 PolarHBondContact O-N 3.19Å; Q157-M161 PolarHBondContact O-N 2.91Å; Q157-M161 VanDerWaalsContact O-N 3.13Å
158	Y	96.6	Very high	88	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-54.9	-39	176	-88.1	-120.8	0	0	0	112.1	C132 D135 T137 Q160 M161 Y162 L168	C132-Y158 HydrophobicContact CB-CD1 3.56Å; C132-Y158 HydrophobicContact CB-CD2 4.38Å; C132-Y158 HydrophobicContact CB-CE1 3.81Å; C132-Y158 HydrophobicContact CB-CG 3.88Å; C132-Y158 VanDerWaalsContact O-CB 3.24Å; C132-Y158 WeakPolarHBondContact O-CB 3.43Å; D135-Y158 HydrophobicContact CB-CD2 4.06Å; D135-Y158 HydrophobicContact CB-CE2 4.13Å; D135-Y158 WeakPolarHBondContact O-CD2 3.4Å; D135-Y158 PolarHBondContact O-N 3.43Å; T137-Y158 HydrophobicContact CG2-CD2 3.75Å; T137-Y158 HydrophobicContact CG2-CE2 3.89Å; T137-Y158 HydrophobicContact CG2-CG 4.26Å; Y158-Q160 PolarHBondContact O-N 2.03Å; Y158-M161 PolarHBondContact O-N 3.03Å; Y158-Y162 AromaticContact CD1-CD2 3.82Å; Y158-Y162 HydrophobicContact CD1-CD2 3.82Å; Y158-Y162 AromaticContact CD1-CE2 3.69Å; Y158-Y162 HydrophobicContact CD1-CE2 3.69Å; Y158-Y162 HydrophobicContact CE1-CE2 4.01Å; Y158-Y162 HydrophobicContact CG-CD2 4.27Å; Y158-Y162 HydrophobicContact CG-CE2 4.25Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.41Å; Y158-Y162 PolarHBondContact O-N 2.94Å; Y158-L168 HydrophobicContact CD1-CD1 3.83Å; Y158-L168 HydrophobicContact CE1-CD1 3.82Å
159	Q	97.7	Very high	89.8	Confident	83 Å²	83	60.6 Å²	60.6	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-64.4	-18.3	176.2	64.8	179.9	-4.1	0	0	115.2	F129 R133 Q157	F129-Q159 HydrophobicContact CZ-CB 4.23Å; R133-Q159 HydrophobicContact CG-CB 3.67Å; R133-Q159 HydrophobicContact CG-CG 4.24Å; R133-Q159 WeakPolarHBondContact O-CG 3.17Å; R133-Q159 PolarHBondContact O-N 2.91Å; Q157-Q159 HydrophobicContact CB-CG 3.97Å; Q157-Q159 PolarHBondContact O-N 2.86Å
160	Q	97.2	Very high	91.4	Very high	131 Å²	131	57.8 Å²	57.8	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-89.5	-26.2	172.8	-62	173.3	-6.8	0	0	111.1	V156 Q157 Y158	V156-Q160 HydrophobicContact CB-CB 4.27Å; Q157-Q160 HydrophobicContact CB-CG 4.29Å; Q157-Q160 WeakPolarHBondContact O-CA 3.4Å; Q157-Q160 WeakPolarHBondContact O-CB 3.45Å; Q157-Q160 PolarHBondContact O-N 3.19Å; Y158-Q160 PolarHBondContact O-N 2.03Å
161	M	95.7	Very high	92.7	Very high	38 Å²	38	53.3 Å²	53.3	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-85.2	-37.3	-179.7	-173.5	63	77.1	0	0	113.1	T137 R140 V156 Q157 Y158	T137-M161 HydrophobicContact CG2-CB 3.78Å; T137-M161 HydrophobicContact CG2-CE 4.13Å; T137-M161 HydrophobicContact CG2-CG 3.88Å; R140-M161 HydrophobicContact CB-CG 4.2Å; R140-M161 HydrophobicContact CB-SD 3.56Å; R140-M161 VanDerWaalsContact CB-SD 3.56Å; R140-M161 HydrophobicContact CG-CG 4.29Å; R140-M161 HydrophobicContact CG-SD 4.08Å; R140-M161 PolarHBondContact NH1-O 2.02Å; V156-M161 HydrophobicContact CG2-CB 4.26Å; V156-M161 HydrophobicContact CG2-CE 3.61Å; Q157-M161 PolarHBondContact O-N 2.91Å; Q157-M161 VanDerWaalsContact O-N 3.13Å; Y158-M161 PolarHBondContact O-N 3.03Å
162	Y	97.6	Very high	93.5	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	28%	0.275	C	S	.	.			trans	-125.2	140.4	-174.8	-52.1	-77.6	0	0	0	110.7	F129 T137 A139 R140 Y158 D167 L168 L172	F129-Y162 WeakPolarHBondContact CE2-O 3.19Å; T137-Y162 HydrophobicContact CG2-CE2 4.25Å; A139-Y162 PolarHBondContact O-OH 2.86Å; R140-Y162 WeakPolarHBondContact CA-OH 3.42Å; R140-Y162 HydrophobicContact CG-CD1 4.41Å; R140-Y162 HydrophobicContact CG-CE1 3.81Å; R140-Y162 WeakPolarHBondContact O-CE1 3.48Å; R140-Y162 PolarHBondContact O-OH 3.17Å; Y158-Y162 AromaticContact CD1-CD2 3.82Å; Y158-Y162 HydrophobicContact CD1-CD2 3.82Å; Y158-Y162 AromaticContact CD1-CE2 3.69Å; Y158-Y162 HydrophobicContact CD1-CE2 3.69Å; Y158-Y162 HydrophobicContact CE1-CE2 4.01Å; Y158-Y162 HydrophobicContact CG-CD2 4.27Å; Y158-Y162 HydrophobicContact CG-CE2 4.25Å; Y158-Y162 WeakPolarHBondContact O-CD2 3.41Å; Y158-Y162 PolarHBondContact O-N 2.94Å; Y162-D167 VanDerWaalsContact CA-OD2 3.32Å; Y162-D167 WeakPolarHBondContact CA-OD2 3.08Å; Y162-L168 HydrophobicContact CD1-CB 4.31Å; Y162-L168 HydrophobicContact CD1-CD1 4.1Å; Y162-L168 HydrophobicContact CD2-CD1 3.5Å; Y162-L168 HydrophobicContact CE1-CD1 4.01Å; Y162-L168 HydrophobicContact CE2-CD1 3.4Å; Y162-L168 HydrophobicContact CG-CB 4.12Å; Y162-L168 HydrophobicContact CG-CD1 3.86Å; Y162-L172 WeakPolarHBondContact OH-CD1 3.28Å
163	Q	97.3	Very high	94.3	Very high	158 Å²	158	49 Å²	49	74%	0.738	25%	0.251	S	S	*	.	S	Bend	trans	-75.8	-38	-176.6	-62.1	-176.7	16.9	0	0	112.7	D167	Q163-D167 HydrophobicContact CB-CB 4.3Å; Q163-D167 PolarHBondContact N-OD2 3.29Å
164	H	97.8	Very high	95.1	Very high	90 Å²	90	47.9 Å²	47.9	42%	0.417	24%	0.24	S	C	.	.	S	Bend	trans	-166.3	179.9	-177.6	50.4	67.8	0	0	0	110.6	R166 D167 L168	H164-R166 PolarHBondContact ND1-N 3.06Å; H164-R166 PolarHBondContact O-N 2.87Å; H164-D167 PolarHBondContact ND1-N 3.08Å; H164-D167 WeakPolarHBondContact O-CA 3.45Å; H164-D167 VanDerWaalsContact O-CB 3.3Å; H164-D167 WeakPolarHBondContact O-CB 3.02Å; H164-D167 PolarHBondContact O-N 3.31Å; H164-L168 PolarHBondContact O-N 3.47Å; H164-L168 VanDerWaalsContact O-N 3.08Å
165	G	97.9	Very high	95.2	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-51.7	-50.5	-178.4	0	0	0	0	0	115.6	C125 D167 L168 C169	C125-G165 WeakPolarHBondContact O-CA 3.31Å; G165-D167 VanDerWaalsContact C-N 3.27Å; G165-D167 PolarHBondContact O-N 3.37Å; G165-L168 WeakPolarHBondContact O-CB 3.32Å; G165-L168 PolarHBondContact O-N 3.16Å; G165-L168 VanDerWaalsContact O-N 3.16Å; G165-C169 PolarHBondContact O-N 3.26Å
166	R	97.9	Very high	95.2	Very high	84 Å²	84	41.9 Å²	41.9	32%	0.317	20%	0.2	S	C	.	.	H	α-helix	trans	-56.1	-41.9	175.2	172.4	175.5	-163.9	148.7	15.7	112.9	H164 L168 C169 E170 T179	H164-R166 PolarHBondContact ND1-N 3.06Å; H164-R166 PolarHBondContact O-N 2.87Å; R166-L168 VanDerWaalsContact C-N 3.31Å; R166-L168 PolarHBondContact O-N 2.81Å; R166-C169 PolarHBondContact O-N 2.93Å; R166-E170 HydrophobicContact CG-CG 4.31Å; R166-E170 IonicContact CZ-OE1 2.53Å; R166-E170 IonicContact NE-OE1 3.6Å; R166-E170 PolarHBondContact NE-OE1 3.36Å; R166-E170 IonicContact NE-OE2 3.29Å; R166-E170 PolarHBondContact NE-OE2 2.51Å; R166-E170 IonicContact NH2-OE1 3.07Å; R166-E170 PolarHBondContact NH2-OE1 2.72Å; R166-E170 VanDerWaalsContact NH2-OE1 3.16Å; R166-E170 WeakPolarHBondContact O-CB 3.43Å; R166-E170 WeakPolarHBondContact O-CG 3.3Å; R166-E170 PolarHBondContact O-N 2.77Å; R166-T179 WeakPolarHBondContact CA-OG1 3.24Å; R166-T179 HydrophobicContact CB-CG2 4.22Å; R166-T179 HydrophobicContact CG-CG2 4.39Å
167	D	98.1	Very high	95.2	Very high	23 Å²	23	40.2 Å²	40.2	12%	0.123	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-38.6	179.8	-169.6	40.4	0	0	0	111.7	R140 Y162 Q163 H164 G165 S171	R140-D167 IonicContact CZ-OD1 3.85Å; R140-D167 IonicContact CZ-OD2 2.83Å; R140-D167 IonicContact NH1-OD1 3.71Å; R140-D167 IonicContact NH1-OD2 3.89Å; R140-D167 PolarHBondContact NH1-OD2 2.99Å; R140-D167 IonicContact NH2-OD1 2.75Å; R140-D167 PolarHBondContact NH2-OD1 3.04Å; R140-D167 IonicContact NH2-OD2 2.88Å; R140-D167 PolarHBondContact NH2-OD2 3.1Å; Y162-D167 VanDerWaalsContact CA-OD2 3.32Å; Y162-D167 WeakPolarHBondContact CA-OD2 3.08Å; Q163-D167 HydrophobicContact CB-CB 4.3Å; Q163-D167 PolarHBondContact N-OD2 3.29Å; H164-D167 PolarHBondContact ND1-N 3.08Å; H164-D167 WeakPolarHBondContact O-CA 3.45Å; H164-D167 VanDerWaalsContact O-CB 3.3Å; H164-D167 WeakPolarHBondContact O-CB 3.02Å; H164-D167 PolarHBondContact O-N 3.31Å; G165-D167 VanDerWaalsContact C-N 3.27Å; G165-D167 PolarHBondContact O-N 3.37Å; D167-S171 WeakPolarHBondContact O-CB 3.4Å; D167-S171 PolarHBondContact O-N 3.24Å; D167-S171 PolarHBondContact O-OG 3.33Å
168	L	97.3	Very high	95.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-55.3	174	176	67.4	0	0	0	111.5	W128 F129 Y158 Y162 H164 G165 R166 E170 S171 L172	W128-L168 HydrophobicContact CB-CD2 4.33Å; W128-L168 HydrophobicContact CD2-CD2 3.78Å; W128-L168 HydrophobicContact CD2-CG 4.39Å; W128-L168 HydrophobicContact CE3-CD2 4.39Å; W128-L168 HydrophobicContact CG-CD2 3.73Å; F129-L168 HydrophobicContact CB-CB 4.42Å; F129-L168 HydrophobicContact CB-CD2 3.83Å; F129-L168 HydrophobicContact CD2-CB 4.38Å; F129-L168 HydrophobicContact CD2-CD2 4.43Å; Y158-L168 HydrophobicContact CD1-CD1 3.83Å; Y158-L168 HydrophobicContact CE1-CD1 3.82Å; Y162-L168 HydrophobicContact CD1-CB 4.31Å; Y162-L168 HydrophobicContact CD1-CD1 4.1Å; Y162-L168 HydrophobicContact CD2-CD1 3.5Å; Y162-L168 HydrophobicContact CE1-CD1 4.01Å; Y162-L168 HydrophobicContact CE2-CD1 3.4Å; Y162-L168 HydrophobicContact CG-CB 4.12Å; Y162-L168 HydrophobicContact CG-CD1 3.86Å; H164-L168 PolarHBondContact O-N 3.47Å; H164-L168 VanDerWaalsContact O-N 3.08Å; G165-L168 WeakPolarHBondContact O-CB 3.32Å; G165-L168 PolarHBondContact O-N 3.16Å; G165-L168 VanDerWaalsContact O-N 3.16Å; R166-L168 VanDerWaalsContact C-N 3.31Å; R166-L168 PolarHBondContact O-N 2.81Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-E170 PolarHBondContact O-N 2.03Å; L168-S171 PolarHBondContact O-N 2.75Å; L168-L172 HydrophobicContact CD1-CB 4.07Å; L168-L172 HydrophobicContact CD1-CD2 4.19Å; L168-L172 WeakPolarHBondContact O-CB 3.32Å; L168-L172 PolarHBondContact O-N 3.19Å
169	C	96.4	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-43.6	-178.2	-86.5	0	0	0	0	112.9	C125 G165 R166 S171	C125-C169 WeakPolarHBondContact CA-SG 3.39Å; C125-C169 HydrophobicContact CB-CB 3.92Å; C125-C169 WeakPolarHBondContact CB-SG 3.28Å; C125-C169 WeakPolarHBondContact SG-CB 3.29Å; C125-C169 CovalentContact SG-SG 2.03Å; C125-C169 PolarHBondContact SG-SG 3.02Å; G165-C169 PolarHBondContact O-N 3.26Å; R166-C169 PolarHBondContact O-N 2.93Å; C169-S171 VanDerWaalsContact C-N 3.3Å; C169-S171 PolarHBondContact O-N 3.2Å
170	E	96.4	Very high	94.8	Very high	70 Å²	70	36 Å²	36	33%	0.327	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.9	-176.9	-66.7	-179.7	176.2	0	0	113.4	R166 L168 G174 T179	R166-E170 HydrophobicContact CG-CG 4.31Å; R166-E170 IonicContact CZ-OE1 2.53Å; R166-E170 IonicContact NE-OE1 3.6Å; R166-E170 PolarHBondContact NE-OE1 3.36Å; R166-E170 IonicContact NE-OE2 3.29Å; R166-E170 PolarHBondContact NE-OE2 2.51Å; R166-E170 IonicContact NH2-OE1 3.07Å; R166-E170 PolarHBondContact NH2-OE1 2.72Å; R166-E170 VanDerWaalsContact NH2-OE1 3.16Å; R166-E170 WeakPolarHBondContact O-CB 3.43Å; R166-E170 WeakPolarHBondContact O-CG 3.3Å; R166-E170 PolarHBondContact O-N 2.77Å; L168-E170 VanDerWaalsContact C-N 3.34Å; L168-E170 PolarHBondContact O-N 2.03Å; E170-G174 CarbonylContact C-O 3.51Å; E170-G174 VanDerWaalsContact O-O 3.05Å; E170-T179 PolarHBondContact OE1-N 3.15Å; E170-T179 VanDerWaalsContact OE1-N 3.16Å
171	S	93.8	Very high	94.5	Very high	17 Å²	17	35 Å²	35	12%	0.119	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-45.6	-177.4	-61.8	0	0	0	0	114.4	R140 N141 D167 L168 C169 W173 G174	R140-S171 PolarHBondContact NH2-OG 2.85Å; R140-S171 CarbonylContact O-C 3.44Å; N141-S171 WeakPolarHBondContact CA-O 3.3Å; N141-S171 WeakPolarHBondContact CB-O 3.48Å; N141-S171 VanDerWaalsContact CG-O 3.31Å; N141-S171 PolarHBondContact ND2-O 3.18Å; D167-S171 WeakPolarHBondContact O-CB 3.4Å; D167-S171 PolarHBondContact O-N 3.24Å; D167-S171 PolarHBondContact O-OG 3.33Å; L168-S171 PolarHBondContact O-N 2.75Å; C169-S171 VanDerWaalsContact C-N 3.3Å; C169-S171 PolarHBondContact O-N 3.2Å; S171-W173 PolarHBondContact O-N 3.08Å; S171-G174 PolarHBondContact O-N 2.72Å
172	L	90.9	Very high	94.2	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-47.4	-167.8	-177.8	73.2	0	0	0	111.9	L90 W128 R140 N141 W142 Y162 L168 G174	L90-L172 HydrophobicContact CD2-CD2 3.88Å; W128-L172 HydrophobicContact CH2-CD2 3.75Å; W128-L172 HydrophobicContact CZ2-CD2 3.35Å; R140-L172 WeakPolarHBondContact O-CA 3.42Å; N141-L172 CarbonylContact C-O 3.5Å; N141-L172 WeakPolarHBondContact CA-O 3.46Å; W142-L172 HydrophobicContact CD2-CD1 3.72Å; W142-L172 HydrophobicContact CD2-CG 4.49Å; W142-L172 HydrophobicContact CE3-CD1 4.42Å; W142-L172 HydrophobicContact CG-CD1 3.73Å; W142-L172 HydrophobicContact CG-CG 4.47Å; W142-L172 HydrophobicContact CZ2-CD1 4.31Å; W142-L172 PolarHBondContact N-O 2.75Å; Y162-L172 WeakPolarHBondContact OH-CD1 3.28Å; L168-L172 HydrophobicContact CD1-CB 4.07Å; L168-L172 HydrophobicContact CD1-CD2 4.19Å; L168-L172 WeakPolarHBondContact O-CB 3.32Å; L168-L172 PolarHBondContact O-N 3.19Å; L172-G174 VanDerWaalsContact C-N 3.33Å
173	W	89.3	Confident	93.1	Very high	37 Å²	37	39.8 Å²	39.8	14%	0.14	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	31.7	176.6	-70.1	77.8	0	0	0	111.4	V93 Y114 W128 S171 D175 A176 F177	V93-W173 HydrophobicContact CG1-CD2 4.19Å; V93-W173 HydrophobicContact CG1-CG 4.33Å; V93-W173 HydrophobicContact CG1-CZ2 4.29Å; Y114-W173 PolarHBondContact OH-O 2.8Å; W128-W173 AromaticContact CH2-CD1 3.94Å; S171-W173 PolarHBondContact O-N 3.08Å; W173-D175 PolarHBondContact O-N 2.92Å; W173-A176 HydrophobicContact CB-CB 3.95Å; W173-A176 WeakPolarHBondContact O-CB 3.31Å; W173-A176 PolarHBondContact O-N 2.99Å; W173-F177 HydrophobicContact CB-CD2 3.89Å; W173-F177 HydrophobicContact CB-CE2 3.86Å; W173-F177 HydrophobicContact CD2-CE2 4.47Å; W173-F177 HydrophobicContact CG-CD2 4.37Å; W173-F177 HydrophobicContact CG-CE2 4Å
174	G	89	Confident	91	Very high	5 Å²	5	39.7 Å²	39.7	5%	0.052	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-131.7	-173	0	0	0	0	0	112.3	N141 E170 S171 L172 A176	N141-G174 VanDerWaalsContact ND2-CA 3.26Å; N141-G174 WeakPolarHBondContact ND2-CA 3.43Å; E170-G174 CarbonylContact C-O 3.51Å; E170-G174 VanDerWaalsContact O-O 3.05Å; S171-G174 PolarHBondContact O-N 2.72Å; L172-G174 VanDerWaalsContact C-N 3.33Å; G174-A176 VanDerWaalsContact C-N 3.32Å
175	D	90	Very high	88.6	Confident	40 Å²	40	45.1 Å²	45.1	21%	0.214	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	16.4	-179.2	60.4	-30.5	0	0	0	113.6	H108 R111 Q116 A117 R144 W173 F177	H108-D175 IonicContact CD2-OD2 3.71Å; H108-D175 IonicContact NE2-OD2 3.56Å; H108-D175 PolarHBondContact NE2-OD2 3.29Å; R111-D175 IonicContact CZ-OD1 3.18Å; R111-D175 VanDerWaalsContact NH2-CG 3.34Å; R111-D175 IonicContact NH2-OD1 3.47Å; R111-D175 PolarHBondContact NH2-OD1 3.04Å; R111-D175 IonicContact NH2-OD2 3.63Å; R111-D175 PolarHBondContact NH2-OD2 3.31Å; Q116-D175 WeakPolarHBondContact CA-O 3.26Å; Q116-D175 HydrophobicContact CG-CB 4.45Å; Q116-D175 PolarHBondContact NE2-OD2 3Å; A117-D175 PolarHBondContact N-O 2.88Å; R144-D175 IonicContact CZ-OD1 2.91Å; R144-D175 IonicContact NE-OD1 2.59Å; R144-D175 IonicContact NH2-OD1 3.54Å; R144-D175 PolarHBondContact NH2-OD1 3.37Å; R144-D175 IonicContact NH2-OD2 2.61Å; R144-D175 PolarHBondContact NH2-OD2 2.93Å; W173-D175 PolarHBondContact O-N 2.92Å; D175-F177 VanDerWaalsContact C-N 3.3Å; D175-F177 PolarHBondContact O-N 3.4Å
176	A	91.7	Very high	85.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.008	25%	0.251	C	S	.	.	S	Bend	trans	-59.8	-42.6	174.4	0	0	0	0	0	111.8	Y114 I115 Q116 A117 V118 W173 G174	Y114-A176 HydrophobicContact CE1-CB 3.98Å; I115-A176 HydrophobicContact CD1-CB 4.03Å; I115-A176 HydrophobicContact CG1-CB 3.78Å; Q116-A176 CarbonylContact C-O 3.42Å; A117-A176 PolarHBondContact N-O 3.08Å; A117-A176 VanDerWaalsContact N-O 3.09Å; V118-A176 PolarHBondContact N-O 3.1Å; W173-A176 HydrophobicContact CB-CB 3.95Å; W173-A176 WeakPolarHBondContact O-CB 3.31Å; W173-A176 PolarHBondContact O-N 2.99Å; G174-A176 VanDerWaalsContact C-N 3.32Å
177	F	94.9	Very high	82.9	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.8	-175	-55.4	-75	0	0	0	111.1	V93 F96 I115 V118 L120 W173 D175	V93-F177 HydrophobicContact CG1-CD2 4.35Å; V93-F177 HydrophobicContact CG1-CE2 3.36Å; V93-F177 HydrophobicContact CG1-CZ 3.52Å; F96-F177 HydrophobicContact CD1-CE1 4.15Å; F96-F177 HydrophobicContact CE1-CE1 4.37Å; I115-F177 HydrophobicContact CD1-CE1 3.79Å; I115-F177 HydrophobicContact CD1-CE2 4.36Å; I115-F177 HydrophobicContact CD1-CZ 3.61Å; V118-F177 HydrophobicContact CB-CD1 3.68Å; V118-F177 HydrophobicContact CB-CE1 4Å; V118-F177 HydrophobicContact CG1-CD1 3.94Å; V118-F177 HydrophobicContact CG1-CE1 4.05Å; V118-F177 HydrophobicContact CG2-CE1 4.47Å; V118-F177 WeakPolarHBondContact O-CA 3.48Å; L120-F177 HydrophobicContact CD1-CB 3.68Å; L120-F177 HydrophobicContact CD1-CD1 3.57Å; L120-F177 HydrophobicContact CD1-CD2 4.44Å; L120-F177 HydrophobicContact CD1-CE1 4.38Å; L120-F177 HydrophobicContact CD1-CG 3.63Å; L120-F177 HydrophobicContact CD2-CD1 3.93Å; L120-F177 HydrophobicContact CD2-CE1 4.39Å; L120-F177 HydrophobicContact CG-CB 4.04Å; L120-F177 HydrophobicContact CG-CD1 3.68Å; L120-F177 HydrophobicContact CG-CG 4.12Å; W173-F177 HydrophobicContact CB-CD2 3.89Å; W173-F177 HydrophobicContact CB-CE2 3.86Å; W173-F177 HydrophobicContact CD2-CE2 4.47Å; W173-F177 HydrophobicContact CG-CD2 4.37Å; W173-F177 HydrophobicContact CG-CE2 4Å; D175-F177 VanDerWaalsContact C-N 3.3Å; D175-F177 PolarHBondContact O-N 3.4Å
178	M	95.4	Very high	79.8	Confident	28 Å²	28	55.7 Å²	55.7	14%	0.138	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.1	170	58	172.4	-73.7	0	0	109.3	A117 V118 L120 V180 T242	A117-M178 HydrophobicContact CB-CG 4.22Å; A117-M178 HydrophobicContact CB-SD 3.82Å; V118-M178 PolarHBondContact O-N 2.82Å; L120-M178 PolarHBondContact N-O 2.69Å; M178-V180 HydrophobicContact CE-CG2 3.8Å; M178-T242 HydrophobicContact CE-CG2 3.89Å; M178-T242 WeakPolarHBondContact CE-OG1 3.35Å
179	T	94.8	Very high	76.8	Confident	4 Å²	4	64.9 Å²	64.9	3%	0.025	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.4	177.3	-56.8	0	0	0	0	110.9	L120 H122 C125 R166 E170	L120-T179 WeakPolarHBondContact O-CA 3.32Å; H122-T179 HydrophobicContact CB-CG2 3.81Å; C125-T179 HydrophobicContact CB-CG2 4.41Å; C125-T179 PolarHBondContact SG-OG1 3Å; C125-T179 VanDerWaalsContact SG-OG1 3.41Å; R166-T179 WeakPolarHBondContact CA-OG1 3.24Å; R166-T179 HydrophobicContact CB-CG2 4.22Å; R166-T179 HydrophobicContact CG-CG2 4.39Å; E170-T179 PolarHBondContact OE1-N 3.15Å; E170-T179 VanDerWaalsContact OE1-N 3.16Å
180	V	92.3	Very high	73.9	Confident	18 Å²	18	69.9 Å²	69.9	11%	0.109	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.1	172.8	-177.8	0	0	0	0	107.7	P119 L120 C121 H122 M178 C202 T242	P119-V180 HydrophobicContact CB-CB 4.48Å; P119-V180 HydrophobicContact CB-CG2 3.57Å; L120-V180 PolarHBondContact O-N 3.18Å; C121-V180 CarbonylContact C-O 3.5Å; H122-V180 PolarHBondContact N-O 3.15Å; M178-V180 HydrophobicContact CE-CG2 3.8Å; V180-C202 HydrophobicContact CB-CB 4.02Å; V180-C202 HydrophobicContact CG1-CB 4.32Å; V180-T242 HydrophobicContact CG2-CG2 4.21Å
181	E	90.7	Very high	70.9	Confident	111 Å²	111	69.9 Å²	69.9	52%	0.519	41%	0.41	S	S	.	.			trans	-60	144.3	175.7	-59.1	-55.9	137.1	0	0	110.2	H122 D183	H122-E181 IonicContact CG-OE2 3.11Å; E181-D183 PolarHBondContact O-N 3.11Å
182	D	87.8	Confident	68.5	Low	58 Å²	58	77.9 Å²	77.9	31%	0.31	45%	0.445	S	S	.	.			trans	-62.6	121.9	170	-60.1	-101.8	0	0	0	108.3	C121 H122 S123 Q184	C121-D182 WeakPolarHBondContact CB-OD1 3.43Å; H122-D182 WeakPolarHBondContact CB-OD2 3.38Å; H122-D182 PolarHBondContact N-OD2 3.2Å; S123-D182 WeakPolarHBondContact CB-OD1 3.35Å; S123-D182 WeakPolarHBondContact CB-OD2 3.32Å; S123-D182 PolarHBondContact N-OD2 3.05Å; S123-D182 PolarHBondContact OG-OD1 3.08Å; D182-Q184 PolarHBondContact O-N 2.76Å
183	D	75	Confident	66	Low	83 Å²	83	85.4 Å²	85.4	44%	0.444	49%	0.485	S	S	.	.			trans	-61.3	108.3	175.4	-72.6	-37.3	0	0	0	108.7	E181 Q185 P199	E181-D183 PolarHBondContact O-N 3.11Å; D183-Q185 PolarHBondContact O-N 3.27Å; D183-P199 VanDerWaalsContact OD1-CB 3.28Å; D183-P199 WeakPolarHBondContact OD1-CB 3.39Å; D183-P199 WeakPolarHBondContact OD1-CG 3.38Å
184	Q	52.9	Low	63.6	Low	156 Å²	156	87.5 Å²	87.5	73%	0.729	52%	0.518	S	S	*	.			trans	-67.9	118.5	163	-70.4	-172.4	-13.3	0	0	106.7	D182 E186	D182-Q184 PolarHBondContact O-N 2.76Å; Q184-E186 HydrophobicContact CB-CG 4.37Å; Q184-E186 PolarHBondContact O-N 3.35Å
185	Q	48.4	Very low	61.3	Low	204 Å²	204	92.4 Å²	92.4	95%	0.953	56%	0.558	S	S	*	*			trans	-64.2	71.8	165	-130.3	159.4	9.1	0	0	108.6	D183 A187	D183-Q185 PolarHBondContact O-N 3.27Å; Q185-A187 PolarHBondContact O-N 3.13Å
186	E	36.4	Very low	59	Low	156 Å²	156	99.3 Å²	99.3	73%	0.729	59%	0.589	S	S	*	*			trans	-82.3	106.3	165	-75.1	-161.6	158.3	0	0	107.8	Q184 G188	Q184-E186 HydrophobicContact CB-CG 4.37Å; Q184-E186 PolarHBondContact O-N 3.35Å; E186-G188 PolarHBondContact O-N 3.46Å
187	A	39.6	Very low	56.7	Low	115 Å²	115	102.9 Å²	102.9	95%	0.95	63%	0.626	S	S	*	*			trans	-56.4	83.4	154.9	0	0	0	0	0	108.9	Q185	Q185-A187 PolarHBondContact O-N 3.13Å
188	G	33	Very low	54.4	Low	63 Å²	63	112.8 Å²	112.8	65%	0.649	66%	0.663	S	S	*	*			trans	-113.4	125.9	168.9	0	0	0	0	0	108.5	E186	E186-G188 PolarHBondContact O-N 3.46Å
189	E	33.5	Very low	52.5	Low	192 Å²	192	115.7 Å²	115.7	90%	0.897	68%	0.684	S	S	*	*			trans	-48.3	144.7	-172.9	-64.2	167.7	144.5	0	0	113.5	G191	E189-G191 PolarHBondContact O-N 3.11Å
190	A	35.4	Very low	50.8	Low	106 Å²	106	116.3 Å²	116.3	88%	0.876	69%	0.689	S	S	*	*			trans	-52.6	97.8	174.2	0	0	0	0	0	111.1	E192	A190-E192 PolarHBondContact O-N 3.47Å
191	G	35.1	Very low	50.2	Low	70 Å²	70	116.3 Å²	116.3	72%	0.722	69%	0.692	S	S	*	*			trans	-73.3	107	162.9	0	0	0	0	0	108.7	E189 N193	E189-G191 PolarHBondContact O-N 3.11Å; G191-N193 VanDerWaalsContact C-N 3.27Å; G191-N193 PolarHBondContact O-N 2.9Å
192	E	42.5	Very low	50.3	Low	185 Å²	185	111.5 Å²	111.5	86%	0.864	67%	0.671	S	S	*	*			trans	-70.8	79.2	177.2	-157.6	175.8	175.7	0	0	109.7	A190	A190-E192 PolarHBondContact O-N 3.47Å
193	N	37.7	Very low	50.6	Low	158 Å²	158	108.8 Å²	108.8	85%	0.845	66%	0.656	S	S	*	*			trans	-158.1	116.5	159.2	-89	-42.3	0	0	0	109.5	G191	G191-N193 VanDerWaalsContact C-N 3.27Å; G191-N193 PolarHBondContact O-N 2.9Å
194	G	39.6	Very low	51.6	Low	80 Å²	80	106.3 Å²	106.3	83%	0.825	64%	0.644	S	S	*	*			trans	-70.4	158.3	-163.2	0	0	0	0	0	116.9
195	A	40.5	Very low	53.7	Low	108 Å²	108	99 Å²	99	89%	0.893	61%	0.61	S	S	*	*			trans	76.3	50.2	169.5	0	0	0	0	0	117.4
196	E	40.9	Very low	55.9	Low	186 Å²	186	90.8 Å²	90.8	87%	0.869	58%	0.575	S	S	*	*			trans	-95.6	110.4	149.5	-73.6	-173.3	156.4	0	0	108.3	R198	E196-R198 PolarHBondContact O-N 3.17Å
197	G	44	Very low	58.6	Low	76 Å²	76	87.4 Å²	87.4	78%	0.784	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-55.1	124.8	176.8	0	0	0	0	0	109.6
198	R	47.1	Very low	61	Low	212 Å²	212	85.2 Å²	85.2	80%	0.8	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-50.3	132.2	176.6	-75.4	176.1	159.1	170.6	-6.1	109	E196 C200	E196-R198 PolarHBondContact O-N 3.17Å; R198-C200 PolarHBondContact O-N 3.46Å; R198-C200 VanDerWaalsContact O-N 3.13Å
199	P	54.5	Low	63.7	Low	88 Å²	88	82.9 Å²	82.9	57%	0.571	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-55.6	126.7	175.1	22.7	-30.7	0	0	0	108.3	D183 G201	D183-P199 VanDerWaalsContact OD1-CB 3.28Å; D183-P199 WeakPolarHBondContact OD1-CB 3.39Å; D183-P199 WeakPolarHBondContact OD1-CG 3.38Å; P199-G201 PolarHBondContact O-N 3.48Å
200	C	60.5	Low	66.2	Low	18 Å²	18	81.2 Å²	81.2	12%	0.122	51%	0.507	C	S	.	.			trans	-68.2	113.7	170.4	-61.6	0	0	0	0	106.2	R198 L216 P239 C240	R198-C200 PolarHBondContact O-N 3.46Å; R198-C200 VanDerWaalsContact O-N 3.13Å; C200-L216 HydrophobicContact CB-CD2 3.93Å; C200-P239 PolarHBondContact SG-O 3.09Å; C200-C240 HydrophobicContact CB-CB 3.9Å; C200-C240 WeakPolarHBondContact CB-SG 3.47Å
201	G	80.1	Confident	68.6	Low	17 Å²	17	82.4 Å²	82.4	18%	0.175	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-51.7	151.2	178.3	0	0	0	0	0	111.6	P199 V212	P199-G201 PolarHBondContact O-N 3.48Å; G201-V212 VanDerWaalsContact C-CG1 3.46Å; G201-V212 VanDerWaalsContact O-CG1 3.3Å; G201-V212 WeakPolarHBondContact O-CG1 3.17Å
202	C	92.2	Very high	71	Confident	11 Å²	11	80.6 Å²	80.6	7%	0.074	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-93.3	159.3	-179.4	62.6	0	0	0	0	111.4	C121 V180	C121-C202 WeakPolarHBondContact CA-SG 3.44Å; C121-C202 HydrophobicContact CB-CB 3.85Å; C121-C202 WeakPolarHBondContact CB-SG 3.36Å; C121-C202 WeakPolarHBondContact SG-CB 3.44Å; C121-C202 PolarHBondContact SG-O 3.36Å; C121-C202 VanDerWaalsContact SG-O 3.36Å; C121-C202 CovalentContact SG-SG 2.03Å; C121-C202 PolarHBondContact SG-SG 3.49Å; V180-C202 HydrophobicContact CB-CB 4.02Å; V180-C202 HydrophobicContact CG1-CB 4.32Å
203	L	94.8	Very high	73.1	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-99.3	140.3	179.4	-56.3	178.4	0	0	0	111.5	F96 W106 V118 P119 L120 C121 L205 D209 V212 I213	F96-L203 HydrophobicContact CE2-CD1 4Å; F96-L203 HydrophobicContact CZ-CD1 4.14Å; W106-L203 HydrophobicContact CH2-CD1 3.82Å; W106-L203 HydrophobicContact CZ3-CD1 4.09Å; V118-L203 HydrophobicContact CG1-CD1 3.83Å; P119-L203 WeakPolarHBondContact O-CB 3.37Å; P119-L203 PolarHBondContact O-N 2.99Å; L120-L203 WeakPolarHBondContact CA-O 3.3Å; L120-L203 HydrophobicContact CD2-CB 4.27Å; C121-L203 PolarHBondContact N-O 3.34Å; L203-L205 HydrophobicContact CB-CD2 4.15Å; L203-D209 HydrophobicContact CD2-CB 3.89Å; L203-V212 HydrophobicContact CD2-CB 4.29Å; L203-V212 HydrophobicContact CD2-CG1 3.84Å; L203-I213 HydrophobicContact CD1-CD1 4.28Å; L203-I213 HydrophobicContact CD2-CD1 3.68Å; L203-I213 HydrophobicContact CD2-CG1 3.97Å
204	T	95.9	Very high	75.3	Confident	30 Å²	30	67 Å²	67	18%	0.184	41%	0.413	C	S	.	.			trans	-105.8	-0.4	174.1	61.9	0	0	0	0	112.5	C121 F124 S206 S208 D209	C121-T204 HydrophobicContact CB-CG2 4.23Å; F124-T204 WeakPolarHBondContact CD2-O 3.22Å; F124-T204 WeakPolarHBondContact CE2-O 3.12Å; T204-S206 VanDerWaalsContact C-N 3.25Å; T204-S206 PolarHBondContact O-N 3.2Å; T204-S206 WeakPolarHBondContact OG1-CB 3.29Å; T204-S206 PolarHBondContact OG1-OG 2.74Å; T204-S208 PolarHBondContact OG1-OG 3.24Å; T204-D209 PolarHBondContact N-OD1 3.48Å; T204-D209 PolarHBondContact N-OD2 3.31Å; T204-D209 PolarHBondContact OG1-OD1 2.97Å
205	L	95.8	Very high	77.3	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	39%	0.394	C	S	.	.	S	Bend	trans	54.2	44.2	-174.2	-49.6	-172.5	0	0	0	111.8	R92 V93 F96 L120 F124 L203 D209	R92-L205 HydrophobicContact CB-CB 4.14Å; V93-L205 HydrophobicContact CB-CD1 4.29Å; V93-L205 HydrophobicContact CG2-CD1 3.7Å; F96-L205 HydrophobicContact CB-CD1 4.12Å; F96-L205 HydrophobicContact CB-CD2 3.89Å; F96-L205 HydrophobicContact CB-CG 4.49Å; F96-L205 HydrophobicContact CD1-CD2 4.3Å; F96-L205 HydrophobicContact CD2-CD2 3.55Å; F96-L205 HydrophobicContact CE2-CD2 4.13Å; F96-L205 HydrophobicContact CG-CD2 3.63Å; L120-L205 HydrophobicContact CD2-CD1 4.06Å; L120-L205 HydrophobicContact CD2-CD2 3.78Å; L120-L205 HydrophobicContact CD2-CG 3.83Å; F124-L205 HydrophobicContact CE1-CD1 4.23Å; F124-L205 HydrophobicContact CE2-CB 4.17Å; F124-L205 HydrophobicContact CE2-CD1 4.46Å; F124-L205 HydrophobicContact CE2-CG 4.33Å; F124-L205 HydrophobicContact CZ-CB 4.33Å; F124-L205 HydrophobicContact CZ-CD1 3.8Å; F124-L205 HydrophobicContact CZ-CG 4.12Å; L203-L205 HydrophobicContact CB-CD2 4.15Å; L205-D209 WeakPolarHBondContact CA-OD2 3.44Å; L205-D209 PolarHBondContact N-OD2 2.86Å
206	S	94.3	Very high	79.1	Confident	32 Å²	32	61 Å²	61	22%	0.224	35%	0.354	C	S	.	.	S	Bend	trans	-141.6	171.8	-173.6	95.1	0	0	0	0	111	T204 S208 D209	T204-S206 VanDerWaalsContact C-N 3.25Å; T204-S206 PolarHBondContact O-N 3.2Å; T204-S206 WeakPolarHBondContact OG1-CB 3.29Å; T204-S206 PolarHBondContact OG1-OG 2.74Å; S206-S208 PolarHBondContact O-N 2.96Å; S206-S208 PolarHBondContact OG-N 3.34Å; S206-S208 PolarHBondContact OG-OG 2.99Å; S206-D209 PolarHBondContact N-OD2 3.27Å; S206-D209 WeakPolarHBondContact O-CB 3.31Å; S206-D209 PolarHBondContact O-N 3.11Å
207	P	92.8	Very high	80.9	Confident	84 Å²	84	56.6 Å²	56.6	55%	0.545	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.1	176.6	-24.6	32.2	0	0	0	115.1	L48 D209 K210	L48-P207 HydrophobicContact CD1-CB 4.23Å; L48-P207 HydrophobicContact CD1-CG 3.7Å; P207-D209 PolarHBondContact O-N 3.39Å; P207-K210 WeakPolarHBondContact O-CG 3.36Å
208	S	90	Very high	82.3	Confident	70 Å²	70	56.1 Å²	56.1	49%	0.49	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.6	178.3	59.5	0	0	0	0	113.5	T204 S206 K210	T204-S208 PolarHBondContact OG1-OG 3.24Å; S206-S208 PolarHBondContact O-N 2.96Å; S206-S208 PolarHBondContact OG-N 3.34Å; S206-S208 PolarHBondContact OG-OG 2.99Å; S208-K210 PolarHBondContact O-N 3.23Å
209	D	90.8	Very high	83.3	Confident	14 Å²	14	50 Å²	50	8%	0.075	30%	0.299	C	S	.	.	H	α-helix	trans	-72	-10	-178.2	-65.9	-6.4	0	0	0	112.8	L203 T204 L205 S206 P207 D211 V212 I213	L203-D209 HydrophobicContact CD2-CB 3.89Å; T204-D209 PolarHBondContact N-OD1 3.48Å; T204-D209 PolarHBondContact N-OD2 3.31Å; T204-D209 PolarHBondContact OG1-OD1 2.97Å; L205-D209 WeakPolarHBondContact CA-OD2 3.44Å; L205-D209 PolarHBondContact N-OD2 2.86Å; S206-D209 PolarHBondContact N-OD2 3.27Å; S206-D209 WeakPolarHBondContact O-CB 3.31Å; S206-D209 PolarHBondContact O-N 3.11Å; P207-D209 PolarHBondContact O-N 3.39Å; D209-D211 VanDerWaalsContact C-N 3.29Å; D209-D211 PolarHBondContact O-N 2.93Å; D209-V212 PolarHBondContact O-N 3.19Å; D209-I213 HydrophobicContact CB-CG1 4.45Å; D209-I213 WeakPolarHBondContact O-CB 2.99Å; D209-I213 VanDerWaalsContact O-CG1 3.24Å; D209-I213 WeakPolarHBondContact O-CG1 3.46Å; D209-I213 PolarHBondContact O-N 3.31Å
210	K	86.6	Confident	83.7	Confident	156 Å²	156	51.9 Å²	51.9	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-53	-45.5	-179.7	-74.6	-179.4	179.6	-175.9	0	112.5	P207 S208 A214	P207-K210 WeakPolarHBondContact O-CG 3.36Å; S208-K210 PolarHBondContact O-N 3.23Å; K210-A214 WeakPolarHBondContact O-CB 3.44Å; K210-A214 PolarHBondContact O-N 3.05Å
211	D	84.8	Confident	83.4	Confident	132 Å²	132	54.7 Å²	54.7	71%	0.706	31%	0.314	S	S	*	.	H	α-helix	trans	-74.3	-38.6	-177.7	-63.5	-31.5	0	0	0	111.6	D209 A214 A215	D209-D211 VanDerWaalsContact C-N 3.29Å; D209-D211 PolarHBondContact O-N 2.93Å; D211-A214 PolarHBondContact O-N 2.85Å; D211-A215 WeakPolarHBondContact O-CB 3.49Å; D211-A215 PolarHBondContact O-N 3.45Å
212	V	86.6	Confident	81.8	Confident	32 Å²	32	58.7 Å²	58.7	19%	0.194	33%	0.331	C	S	.	.	H	α-helix	trans	-61.1	-48.3	175.5	177.4	0	0	0	0	110.4	G201 L203 D209 A214 A215 L216	G201-V212 VanDerWaalsContact C-CG1 3.46Å; G201-V212 VanDerWaalsContact O-CG1 3.3Å; G201-V212 WeakPolarHBondContact O-CG1 3.17Å; L203-V212 HydrophobicContact CD2-CB 4.29Å; L203-V212 HydrophobicContact CD2-CG1 3.84Å; D209-V212 PolarHBondContact O-N 3.19Å; V212-A214 PolarHBondContact O-N 3.37Å; V212-A215 PolarHBondContact O-N 3.28Å; V212-L216 HydrophobicContact CG1-CD1 4.13Å; V212-L216 WeakPolarHBondContact O-CG 3.26Å; V212-L216 PolarHBondContact O-N 3.36Å
213	I	86.1	Confident	79.4	Confident	9 Å²	9	63.2 Å²	63.2	5%	0.046	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-39.2	177.9	-67.7	-65.2	0	0	0	111.3	D102 W106 L203 D209 A215 L216 R217	D102-I213 HydrophobicContact CB-CD1 3.98Å; D102-I213 HydrophobicContact CB-CG2 4.43Å; D102-I213 VanDerWaalsContact CG-CG2 3.49Å; D102-I213 WeakPolarHBondContact OD1-CG2 3.43Å; D102-I213 WeakPolarHBondContact OD2-CG2 3.43Å; W106-I213 HydrophobicContact CH2-CD1 3.9Å; W106-I213 HydrophobicContact CZ3-CD1 4.31Å; L203-I213 HydrophobicContact CD1-CD1 4.28Å; L203-I213 HydrophobicContact CD2-CD1 3.68Å; L203-I213 HydrophobicContact CD2-CG1 3.97Å; D209-I213 HydrophobicContact CB-CG1 4.45Å; D209-I213 WeakPolarHBondContact O-CB 2.99Å; D209-I213 VanDerWaalsContact O-CG1 3.24Å; D209-I213 WeakPolarHBondContact O-CG1 3.46Å; D209-I213 PolarHBondContact O-N 3.31Å; I213-A215 VanDerWaalsContact C-N 3.35Å; I213-L216 HydrophobicContact CD1-CD1 4.27Å; I213-L216 PolarHBondContact O-N 2.96Å; I213-R217 VanDerWaalsContact CG2-NH2 3.27Å; I213-R217 VanDerWaalsContact O-CG 3.31Å; I213-R217 WeakPolarHBondContact O-CG 3.47Å; I213-R217 PolarHBondContact O-N 2.82Å
214	A	84.3	Confident	77.1	Confident	48 Å²	48	71.8 Å²	71.8	40%	0.397	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-42	174.9	0	0	0	0	0	111.8	K210 D211 V212 R217 A218	K210-A214 WeakPolarHBondContact O-CB 3.44Å; K210-A214 PolarHBondContact O-N 3.05Å; D211-A214 PolarHBondContact O-N 2.85Å; V212-A214 PolarHBondContact O-N 3.37Å; A214-R217 WeakPolarHBondContact O-CB 3.46Å; A214-R217 PolarHBondContact O-N 3.35Å; A214-A218 PolarHBondContact O-N 3.23Å; A214-A218 VanDerWaalsContact O-N 3.12Å
215	A	81.1	Confident	74.7	Confident	51 Å²	51	76.9 Å²	76.9	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-43.1	175.7	0	0	0	0	0	112.1	D211 V212 I213 R217 A218 Q219	D211-A215 WeakPolarHBondContact O-CB 3.49Å; D211-A215 PolarHBondContact O-N 3.45Å; V212-A215 PolarHBondContact O-N 3.28Å; I213-A215 VanDerWaalsContact C-N 3.35Å; A215-R217 VanDerWaalsContact C-N 3.3Å; A215-R217 PolarHBondContact O-N 3.23Å; A215-A218 PolarHBondContact O-N 2.86Å; A215-Q219 PolarHBondContact O-N 3.46Å
216	L	78.3	Confident	72.2	Confident	11 Å²	11	83 Å²	83	6%	0.058	45%	0.454	C	S	.	.	H	α-helix	trans	-61.1	-37.8	175.5	-73	170	0	0	0	112.3	W106 C200 V212 I213 Q220	W106-L216 HydrophobicContact CH2-CD1 3.93Å; W106-L216 HydrophobicContact CZ2-CD1 3.86Å; C200-L216 HydrophobicContact CB-CD2 3.93Å; V212-L216 HydrophobicContact CG1-CD1 4.13Å; V212-L216 WeakPolarHBondContact O-CG 3.26Å; V212-L216 PolarHBondContact O-N 3.36Å; I213-L216 HydrophobicContact CD1-CD1 4.27Å; I213-L216 PolarHBondContact O-N 2.96Å; L216-Q220 PolarHBondContact O-N 2.9Å
217	R	77.8	Confident	69.2	Low	93 Å²	93	87.9 Å²	87.9	35%	0.351	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-46.3	173.9	-73.7	168.8	-169.9	160.3	2.2	111.5	D102 R105 I213 A214 A215 Q219 Q220 D221	D102-R217 VanDerWaalsContact CG-NH2 3.31Å; D102-R217 IonicContact OD1-CZ 3.68Å; D102-R217 IonicContact OD1-NE 3.57Å; D102-R217 IonicContact OD1-NH2 2.8Å; D102-R217 PolarHBondContact OD1-NH2 2.78Å; D102-R217 IonicContact OD2-NH2 3.78Å; D102-R217 PolarHBondContact OD2-NH2 3.11Å; D102-R217 VanDerWaalsContact OD2-NH2 3.08Å; R105-R217 VanDerWaalsContact CZ-CG 3.46Å; R105-R217 VanDerWaalsContact NH2-CG 3.32Å; I213-R217 VanDerWaalsContact CG2-NH2 3.27Å; I213-R217 VanDerWaalsContact O-CG 3.31Å; I213-R217 WeakPolarHBondContact O-CG 3.47Å; I213-R217 PolarHBondContact O-N 2.82Å; A214-R217 WeakPolarHBondContact O-CB 3.46Å; A214-R217 PolarHBondContact O-N 3.35Å; A215-R217 VanDerWaalsContact C-N 3.3Å; A215-R217 PolarHBondContact O-N 3.23Å; R217-Q219 VanDerWaalsContact C-N 3.3Å; R217-Q219 PolarHBondContact O-N 3.47Å; R217-Q220 PolarHBondContact O-N 3.44Å; R217-Q220 VanDerWaalsContact O-N 3.17Å; R217-D221 PolarHBondContact O-N 2.92Å
218	A	75.1	Confident	66.9	Low	66 Å²	66	89.3 Å²	89.3	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-35.9	-178.4	0	0	0	0	0	112.9	A214 A215 Q220 D221	A214-A218 PolarHBondContact O-N 3.23Å; A214-A218 VanDerWaalsContact O-N 3.12Å; A215-A218 PolarHBondContact O-N 2.86Å; A218-Q220 VanDerWaalsContact C-N 3.33Å; A218-Q220 PolarHBondContact O-N 3.21Å; A218-D221 PolarHBondContact O-N 2.92Å
219	Q	66.9	Low	64.7	Low	84 Å²	84	91.9 Å²	91.9	39%	0.393	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-32.8	176.9	-69.7	177.7	2.5	0	0	112.9	A215 R217 D221	A215-Q219 PolarHBondContact O-N 3.46Å; R217-Q219 VanDerWaalsContact C-N 3.3Å; R217-Q219 PolarHBondContact O-N 3.47Å; Q219-D221 VanDerWaalsContact C-N 3.29Å; Q219-D221 PolarHBondContact O-N 2.82Å
220	Q	63.2	Low	62.1	Low	127 Å²	127	100.9 Å²	100.9	59%	0.593	54%	0.536	S	S	*	.	H	α-helix	trans	-77.8	-16.4	-177.2	-163	154.3	23	0	0	113.3	L216 R217 A218	L216-Q220 PolarHBondContact O-N 2.9Å; R217-Q220 PolarHBondContact O-N 3.44Å; R217-Q220 VanDerWaalsContact O-N 3.17Å; A218-Q220 VanDerWaalsContact C-N 3.33Å; A218-Q220 PolarHBondContact O-N 3.21Å
221	D	55.3	Low	59.7	Low	78 Å²	78	97.4 Å²	97.4	42%	0.417	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.1	179.1	-82.6	-38.5	0	0	0	114.1	R217 A218 Q219 P223	R217-D221 PolarHBondContact O-N 2.92Å; A218-D221 PolarHBondContact O-N 2.92Å; Q219-D221 VanDerWaalsContact C-N 3.29Å; Q219-D221 PolarHBondContact O-N 2.82Å; D221-P223 VanDerWaalsContact O-CD 3.31Å; D221-P223 WeakPolarHBondContact O-CD 3.44Å
222	D	44.9	Very low	57.4	Low	100 Å²	100	95 Å²	95	54%	0.535	54%	0.543	S	S	.	.			trans	-92.2	107.3	179.8	-165.7	-2.9	0	0	0	111.9	E224	D222-E224 PolarHBondContact O-N 2.75Å
223	P	42.1	Very low	54.6	Low	106 Å²	106	100.5 Å²	100.5	69%	0.688	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-82.6	-2.5	-172.1	33.5	-34.8	0	0	0	114.6	D221 E225	D221-P223 VanDerWaalsContact O-CD 3.31Å; D221-P223 WeakPolarHBondContact O-CD 3.44Å; P223-E225 VanDerWaalsContact C-N 3.27Å; P223-E225 PolarHBondContact O-N 3.36Å
224	E	46.2	Very low	51.9	Low	182 Å²	182	106.2 Å²	106.2	85%	0.85	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-75.7	-7.6	-177.5	-72.4	-165.8	148.2	0	0	114.5	D222	D222-E224 PolarHBondContact O-N 2.75Å
225	E	45.5	Very low	49.6	Very low	136 Å²	136	111.6 Å²	111.6	64%	0.636	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-104.8	19.3	176.1	-145	-158	139.2	0	0	114.7	P223 R237	P223-E225 VanDerWaalsContact C-N 3.27Å; P223-E225 PolarHBondContact O-N 3.36Å; E225-R237 IonicContact OE1-CZ 2.95Å; E225-R237 IonicContact OE1-NH1 3.86Å; E225-R237 PolarHBondContact OE1-NH1 3.31Å; E225-R237 IonicContact OE1-NH2 3.2Å; E225-R237 PolarHBondContact OE1-NH2 2.82Å
226	L	44.2	Very low	47.5	Very low	133 Å²	133	114.1 Å²	114.1	70%	0.696	63%	0.625	S	S	*	*			trans	-113	45.2	179.6	-127.3	91.7	0	0	0	113.7	T228	L226-T228 VanDerWaalsContact C-N 3.35Å; L226-T228 HydrophobicContact CD2-CG2 4.3Å; L226-T228 HydrophobicContact CG-CG2 4.18Å; L226-T228 PolarHBondContact O-N 3.47Å
227	D	31.1	Very low	45.6	Very low	133 Å²	133	120.3 Å²	120.3	71%	0.711	65%	0.647	S	S	*	*			trans	-74.4	90	165.5	-168.4	-6	0	0	0	110.2	T229	D227-T229 VanDerWaalsContact C-N 3.27Å; D227-T229 PolarHBondContact O-N 3.17Å; D227-T229 PolarHBondContact OD1-N 3.12Å; D227-T229 PolarHBondContact OD1-OG1 3.21Å
228	T	44.8	Very low	43.9	Very low	115 Å²	115	117.4 Å²	117.4	71%	0.706	64%	0.643	S	S	*	*			trans	-85.6	16.6	-176.7	47.4	0	0	0	0	113.9	L226	L226-T228 VanDerWaalsContact C-N 3.35Å; L226-T228 HydrophobicContact CD2-CG2 4.3Å; L226-T228 HydrophobicContact CG-CG2 4.18Å; L226-T228 PolarHBondContact O-N 3.47Å
229	T	43.3	Very low	42.5	Very low	123 Å²	123	116.6 Å²	116.6	76%	0.755	63%	0.632	S	S	*	*	S	Bend	trans	-91.7	1	-173.5	59.1	0	0	0	0	116.5	D227	D227-T229 VanDerWaalsContact C-N 3.27Å; D227-T229 PolarHBondContact O-N 3.17Å; D227-T229 PolarHBondContact OD1-N 3.12Å; D227-T229 PolarHBondContact OD1-OG1 3.21Å
230	K	37.2	Very low	41.8	Very low	204 Å²	204	113.2 Å²	113.2	89%	0.887	62%	0.618	S	S	*	*	S	Bend	trans	-119.1	-0.1	-173.9	-152.5	168.4	179.6	177.9	0	119.1
231	A	34.8	Very low	40.9	Very low	83 Å²	83	114.2 Å²	114.2	69%	0.686	62%	0.623	S	S	*	*			trans	-145.7	113.8	173.1	0	0	0	0	0	111.9	L233	A231-L233 PolarHBondContact O-N 3.41Å
232	G	36.5	Very low	40.3	Very low	82 Å²	82	113.3 Å²	113.3	85%	0.845	62%	0.62	S	S	*	*			trans	-66.1	113.3	172.9	0	0	0	0	0	111.2
233	L	28.5	Very low	39.8	Very low	147 Å²	147	118.5 Å²	118.5	77%	0.77	64%	0.637	S	S	*	*	S	Bend	trans	152.2	137.8	154.7	-85.7	156.5	0	0	0	106.9	A231 Q235	A231-L233 PolarHBondContact O-N 3.41Å; L233-Q235 PolarHBondContact O-N 2.91Å
234	P	29.5	Very low	39.4	Very low	129 Å²	129	120.4 Å²	120.4	84%	0.838	64%	0.641	S	S	*	*			trans	-69.9	87.3	171.8	28.6	-30.1	0	0	0	108.2	Y236	P234-Y236 PolarHBondContact O-N 2.8Å; P234-Y236 VanDerWaalsContact O-N 3.11Å
235	Q	35.5	Very low	38.9	Very low	160 Å²	160	116.5 Å²	116.5	75%	0.748	63%	0.631	S	S	*	*			trans	-68.5	104.7	161.8	-76.7	-176.2	-8.5	0	0	105.9	L233 R237	L233-Q235 PolarHBondContact O-N 2.91Å; Q235-R237 PolarHBondContact O-N 2.89Å
236	Y	37.8	Very low	38.6	Very low	104 Å²	104	115.4 Å²	115.4	41%	0.408	64%	0.636	S	S	.	*			trans	-53.9	96.8	158.2	179.3	-97.8	0	0	0	106.9	P107 P234 A238	P107-Y236 WeakPolarHBondContact CD-OH 3.18Å; P107-Y236 HydrophobicContact CG-CE2 4.13Å; P107-Y236 PolarHBondContact O-OH 2.91Å; P234-Y236 PolarHBondContact O-N 2.8Å; P234-Y236 VanDerWaalsContact O-N 3.11Å; Y236-A238 PolarHBondContact O-N 3.01Å
237	R	37.9	Very low	38.3	Very low	141 Å²	141	114.7 Å²	114.7	53%	0.532	64%	0.639	S	S	.	*			trans	-75.7	103.4	176.6	-139.3	176.3	-168.5	175.8	-8.6	104.2	E225 Q235	E225-R237 IonicContact OE1-CZ 2.95Å; E225-R237 IonicContact OE1-NH1 3.86Å; E225-R237 PolarHBondContact OE1-NH1 3.31Å; E225-R237 IonicContact OE1-NH2 3.2Å; E225-R237 PolarHBondContact OE1-NH2 2.82Å; Q235-R237 PolarHBondContact O-N 2.89Å
238	A	42.6	Very low	38.7	Very low	32 Å²	32	113.1 Å²	113.1	26%	0.264	65%	0.645	S	S	.	*			trans	-51	134.8	166.7	0	0	0	0	0	106.8	Y236 C240	Y236-A238 PolarHBondContact O-N 3.01Å; A238-C240 PolarHBondContact O-N 3.38Å
239	P	45.9	Very low	38.2	Very low	50 Å²	50	117.4 Å²	117.4	33%	0.325	65%	0.654	S	S	.	*	S	Bend	trans	-52.6	-21.4	-178.8	-27.5	34.1	0	0	0	113.1	C200	C200-P239 PolarHBondContact SG-O 3.09Å
240	C	52.2	Low	38.3	Very low	12 Å²	12	117.2 Å²	117.2	8%	0.081	66%	0.658	C	S	.	*	S	Bend	trans	-114.3	104.7	178	-40.9	0	0	0	0	109.7	C200 A238 T242	C200-C240 HydrophobicContact CB-CB 3.9Å; C200-C240 WeakPolarHBondContact CB-SG 3.47Å; A238-C240 PolarHBondContact O-N 3.38Å; C240-T242 VanDerWaalsContact C-N 3.33Å; C240-T242 PolarHBondContact O-N 2.99Å; C240-T242 VanDerWaalsContact O-N 3.1Å
241	Q	43.2	Very low	38.2	Very low	149 Å²	149	110.7 Å²	110.7	70%	0.696	65%	0.649	S	S	*	*			trans	-79.2	85.3	165	-68.2	-145.1	3.7	0	0	109.4
242	T	42.5	Very low	38.7	Very low	58 Å²	58	118.4 Å²	118.4	36%	0.356	66%	0.66	S	S	.	*			trans	-81.3	129.6	157	58.8	0	0	0	0	108.3	M178 V180 C240 L244	M178-T242 HydrophobicContact CE-CG2 3.89Å; M178-T242 WeakPolarHBondContact CE-OG1 3.35Å; V180-T242 HydrophobicContact CG2-CG2 4.21Å; C240-T242 VanDerWaalsContact C-N 3.33Å; C240-T242 PolarHBondContact O-N 2.99Å; C240-T242 VanDerWaalsContact O-N 3.1Å; T242-L244 PolarHBondContact O-N 3.23Å
243	K	33.9	Very low	38.7	Very low	209 Å²	209	126.2 Å²	126.2	91%	0.909	66%	0.664	S	S	*	*			trans	-67.2	99.4	176.8	-151.8	176.3	-170	174.8	0	107.6
244	L	34.9	Very low	39.2	Very low	147 Å²	147	123.5 Å²	123.5	77%	0.77	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-55.1	135.8	172	-96.5	109.1	0	0	0	109.2	T242	T242-L244 PolarHBondContact O-N 3.23Å
245	P	35.7	Very low	39.8	Very low	99 Å²	99	125 Å²	125	64%	0.643	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-56.6	134.5	169.2	-19.6	30	0	0	0	109.2
246	P	38.1	Very low	39.8	Very low	114 Å²	114	123 Å²	123	74%	0.74	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-61.6	140.8	178.7	25.2	-32.1	0	0	0	109.6	A248	P246-A248 PolarHBondContact O-N 2.89Å
247	P	37.4	Very low	40.1	Very low	117 Å²	117	124.4 Å²	124.4	76%	0.76	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-58	131.5	175.5	23.6	-32.2	0	0	0	109.1	K249	P247-K249 PolarHBondContact O-N 3.46Å
248	A	40.3	Very low	40.3	Very low	101 Å²	101	125.9 Å²	125.9	84%	0.835	70%	0.704	S	S	*	*			trans	-53.9	110	176.3	0	0	0	0	0	109	P246 S250	P246-A248 PolarHBondContact O-N 2.89Å; A248-S250 PolarHBondContact O-N 3.36Å
249	K	35.2	Very low	40	Very low	205 Å²	205	135.6 Å²	135.6	89%	0.891	73%	0.734	S	S	*	*			trans	-67.1	100.8	175.1	-70.8	-177.9	-179.8	176.5	0	107.7	P247 G251	P247-K249 PolarHBondContact O-N 3.46Å; K249-G251 PolarHBondContact O-N 3.06Å
250	S	45.2	Very low	39.7	Very low	118 Å²	118	143.1 Å²	143.1	83%	0.825	76%	0.761	S	S	*	*			trans	-63.5	89.3	162	177.9	0	0	0	0	108.3	A248 R252	A248-S250 PolarHBondContact O-N 3.36Å; S250-R252 PolarHBondContact O-N 3.16Å
251	G	34.1	Very low	39.1	Very low	68 Å²	68	154.2 Å²	154.2	70%	0.701	80%	0.802	S	S	*	*			trans	-79	94.6	174.4	0	0	0	0	0	110.1	K249 R253	K249-G251 PolarHBondContact O-N 3.06Å; G251-R253 PolarHBondContact O-N 3.48Å
252	R	45.6	Very low	39.1	Very low	244 Å²	244	152 Å²	152	92%	0.921	80%	0.803	S	S	*	*			trans	-59.6	112	154	-99.5	178.5	172.2	170.9	-2	108.3	S250	S250-R252 PolarHBondContact O-N 3.16Å
253	R	36.9	Very low	38.8	Very low	246 Å²	246	155.9 Å²	155.9	93%	0.928	83%	0.826	S	S	*	*			trans	-133.1	114.1	153.6	-80.7	-168	-178.3	-166.4	1.1	109.5	G251	G251-R253 PolarHBondContact O-N 3.48Å
254	A	39.2	Very low	39	Very low	91 Å²	91	154.3 Å²	154.3	75%	0.752	82%	0.822	S	S	*	*			trans	-78.7	146.1	170.7	0	0	0	0	0	110.9
255	N	41.3	Very low	39.2	Very low	160 Å²	160	154.4 Å²	154.4	86%	0.856	82%	0.822	S	S	*	*			trans	57.3	107.9	152.6	-65.9	-5.3	0	0	0	120
256	S	35.9	Very low	39.2	Very low	117 Å²	117	157 Å²	157	82%	0.818	83%	0.83	S	S	*	*			trans	-131.2	123.8	137.9	59.4	0	0	0	0	109.8
257	V	44.9	Very low	39.3	Very low	135 Å²	135	158.5 Å²	158.5	82%	0.818	83%	0.832	S	S	*	*			trans	-54.5	128.9	-179.4	173.9	0	0	0	0	112.1
258	L	41.7	Very low	39.5	Very low	171 Å²	171	159.6 Å²	159.6	90%	0.895	84%	0.836	S	S	*	*			trans	-121.2	124.3	158.6	-88.4	164.6	0	0	0	109.7
259	R	36.5	Very low	39.5	Very low	237 Å²	237	163.9 Å²	163.9	89%	0.894	84%	0.839	S	S	*	*			trans	-55.5	134.5	-176.8	-87.9	169.5	156.8	162.1	-7.1	112.3
260	K	39.8	Very low	39.5	Very low	207 Å²	207	157.2 Å²	157.2	90%	0.9	83%	0.829	S	S	*	*			trans	-52.2	131.2	160.3	-86.5	175.2	169.1	178.3	0	110.9
261	R	39.6	Very low	39.3	Very low	245 Å²	245	157.8 Å²	157.8	93%	0.925	83%	0.832	S	S	*	*			trans	-126.2	109	145.5	-134.2	177.8	-169.6	178.3	1.8	106.9
262	S	41.9	Very low	39.4	Very low	104 Å²	104	157.9 Å²	157.9	73%	0.727	83%	0.833	S	S	*	*			trans	-67	137.5	172.3	31.3	0	0	0	0	110.3
263	V	37.8	Very low	39.4	Very low	139 Å²	139	152.5 Å²	152.5	84%	0.842	83%	0.833	S	S	*	*			trans	-133.3	122.6	153.5	176.1	0	0	0	0	106.2
264	E	37.3	Very low	39.7	Very low	175 Å²	175	144.1 Å²	144.1	82%	0.818	82%	0.824	S	S	*	*			trans	-57	144.1	178.2	-92.6	132.8	122	0	0	112.9
265	I	39.8	Very low	39.5	Very low	150 Å²	150	152.1 Å²	152.1	77%	0.769	85%	0.852	S	S	*	*			trans	-81.3	124.1	161.9	-68.7	163.4	0	0	0	105.8
266	D	35.4	Very low	39.4	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	85%	0.852	S	S	*	*			trans	-107.4	115.3	164.4	-143.4	-94.5	0	0	0	106.8
267	D	40.7	Very low	39.6	Very low	146 Å²	146	153.5 Å²	153.5	78%	0.781	85%	0.854	S	S	*	*			trans	-71.4	123.6	172	-80.1	-63.3	0	0	0	109.1
268	V	41.4	Very low	39.3	Very low	140 Å²	140	154.6 Å²	154.6	85%	0.848	86%	0.856	S	S	*	*			trans	-128.4	118	159.5	139.6	0	0	0	0	110.5
269	E	39.7	Very low	39.1	Very low	192 Å²	192	153.6 Å²	153.6	90%	0.897	85%	0.853	S	S	*	*			trans	-69.5	147.8	173.2	-170.1	175.4	173.2	0	0	111.5
270	G	34.9	Very low	39.3	Very low	65 Å²	65	148.4 Å²	148.4	67%	0.67	85%	0.851	S	S	*	*			trans	127	115.9	144.9	0	0	0	0	0	119
271	S	41.4	Very low	39.3	Very low	129 Å²	129	144.5 Å²	144.5	90%	0.902	85%	0.848	S	S	*	*			trans	72.2	110.6	135.4	-67.5	0	0	0	0	121.1
272	G	36.5	Very low	39.3	Very low	70 Å²	70	137.3 Å²	137.3	72%	0.722	84%	0.842	S	S	*	*				95.4	117.5	97.9	0	0	0	0	0	119
273	S	45	Very low	39.1	Very low	131 Å²	131	139.8 Å²	139.8	92%	0.916	85%	0.851	S	S	*	*			trans	71.9	121.3	141.9	-57.1	0	0	0	0	120.5
274	G	42.1	Very low	39.2	Very low	71 Å²	71	139.9 Å²	139.9	73%	0.732	85%	0.852	S	S	*	*				122.1	119.1	116.8	0	0	0	0	0	117.5
275	L	35.8	Very low	39.3	Very low	258 Å²	258	136.7 Å²	136.7	100%	1.351	86%	0.855	S	S	*	*			trans	83.5	0	162.6	-62.1	165.6	0	0	0	117.6

Retrieved 275 of 275 residues in 138 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).