A0A3Q0KMQ3_SCHMA Loading...

Putative bcl7a

AlphaFold DB , UniProt , Accession A0A3Q0KMQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 215 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	70.3	Confident	69.7	Low	231 Å²	231	150.9 Å²	150.9	100%	1.138	73%	0.729	S	S	*	*				0	61.6	0	-66	177	175	0	0	111.1
2	F	75.6	Confident	69.7	Low	195 Å²	195	143.6 Å²	143.6	86%	0.855	71%	0.705	S	S	*	*			trans	-126.8	3.3	-166.9	-73.5	-74.3	0	0	0	116.2
3	S	74.2	Confident	70.3	Confident	92 Å²	92	142.8 Å²	142.8	64%	0.643	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-4.4	-169.2	34.1	0	0	0	0	115.7
4	R	67.7	Low	71	Confident	227 Å²	227	138.1 Å²	138.1	86%	0.857	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-35.7	-179.4	-68.1	-174.3	-178.4	-124	1.8	113.8	R7 S8	R4-R7 PolarHBondContact O-N 2.97Å; R4-S8 PolarHBondContact O-OG 3.21Å
5	S	67.2	Low	71.7	Confident	97 Å²	97	138.7 Å²	138.7	68%	0.678	68%	0.683	S	S	*	*	H	α-helix	trans	-70	-34.4	-174.7	-165.9	0	0	0	0	113.9	R7 S8	S5-R7 VanDerWaalsContact C-N 3.29Å; S5-R7 PolarHBondContact O-N 3.35Å; S5-S8 WeakPolarHBondContact CA-OG 3.26Å; S5-S8 PolarHBondContact O-N 3.14Å; S5-S8 PolarHBondContact O-OG 3.05Å
6	L	60.6	Low	72.6	Confident	131 Å²	131	134.9 Å²	134.9	69%	0.686	66%	0.663	S	S	*	*	H	α-helix	trans	-69.6	-29.5	-179.9	-165.5	69.6	0	0	0	112	T10	L6-T10 PolarHBondContact O-OG1 3.25Å
7	R	64.7	Low	73.5	Confident	187 Å²	187	131.6 Å²	131.6	71%	0.706	65%	0.649	S	S	*	*	H	α-helix	trans	-75.1	-27.5	179.6	-83.9	-175.6	147.7	101.1	-2.5	113.5	R4 S5 E9	R4-R7 PolarHBondContact O-N 2.97Å; S5-R7 VanDerWaalsContact C-N 3.29Å; S5-R7 PolarHBondContact O-N 3.35Å; R7-E9 VanDerWaalsContact C-N 3.33Å
8	S	74.7	Confident	74.2	Confident	76 Å²	76	130.1 Å²	130.1	53%	0.531	64%	0.643	S	S	.	*	H	α-helix	trans	-67.4	-33.5	177.7	16.5	0	0	0	0	112.5	R4 S5	R4-S8 PolarHBondContact O-OG 3.21Å; S5-S8 WeakPolarHBondContact CA-OG 3.26Å; S5-S8 PolarHBondContact O-N 3.14Å; S5-S8 PolarHBondContact O-OG 3.05Å
9	E	70.1	Confident	74.8	Confident	104 Å²	104	130.7 Å²	130.7	49%	0.486	64%	0.642	S	S	.	*	H	α-helix	trans	-68	-44.5	-178.3	-165.7	-176.4	147.3	0	0	111.9	R7 R11 S12 R13	R7-E9 VanDerWaalsContact C-N 3.33Å; E9-R11 VanDerWaalsContact C-N 3.33Å; E9-R11 PolarHBondContact O-N 2.75Å; E9-S12 PolarHBondContact O-N 2.9Å; E9-S12 PolarHBondContact O-OG 3.47Å; E9-R13 IonicContact OE1-CZ 3.83Å; E9-R13 IonicContact OE1-NH2 2.79Å; E9-R13 PolarHBondContact OE1-NH2 3.4Å
10	T	71.2	Confident	75.4	Confident	100 Å²	100	131.3 Å²	131.3	61%	0.613	64%	0.637	S	S	*	*	H	α-helix	trans	-66.8	-29.2	-173	-39	0	0	0	0	113.8	L6 S12	L6-T10 PolarHBondContact O-OG1 3.25Å; T10-S12 VanDerWaalsContact C-N 3.32Å; T10-S12 PolarHBondContact O-N 3.49Å
11	R	69.9	Low	75.9	Confident	220 Å²	220	129.2 Å²	129.2	83%	0.83	63%	0.632	S	S	*	*	H	α-helix	trans	-74.6	-20.5	179.8	-71.9	-176.5	174	-174.9	-2.9	113.6	E9	E9-R11 VanDerWaalsContact C-N 3.33Å; E9-R11 PolarHBondContact O-N 2.75Å
12	S	69.9	Low	76.5	Confident	63 Å²	63	122.5 Å²	122.5	44%	0.441	60%	0.597	S	S	.	*	H	α-helix	trans	-74.2	-33.1	-179.4	68.3	0	0	0	0	112.7	E9 T10 K15 E16	E9-S12 PolarHBondContact O-N 2.9Å; E9-S12 PolarHBondContact O-OG 3.47Å; T10-S12 VanDerWaalsContact C-N 3.32Å; T10-S12 PolarHBondContact O-N 3.49Å; S12-K15 PolarHBondContact O-N 2.82Å; S12-E16 WeakPolarHBondContact O-CG 3.33Å; S12-E16 PolarHBondContact O-N 3.19Å
13	R	77.9	Confident	76.8	Confident	133 Å²	133	119.1 Å²	119.1	50%	0.502	58%	0.582	S	S	.	*	H	α-helix	trans	-60.4	-52.1	-172.6	-64	-171	-174.6	-176.8	2	114.2	E9 K15 E16 D17	E9-R13 IonicContact OE1-CZ 3.83Å; E9-R13 IonicContact OE1-NH2 2.79Å; E9-R13 PolarHBondContact OE1-NH2 3.4Å; R13-K15 VanDerWaalsContact C-N 3.27Å; R13-K15 PolarHBondContact O-N 2.89Å; R13-E16 WeakPolarHBondContact CA-OE1 3.45Å; R13-E16 WeakPolarHBondContact O-CG 3.29Å; R13-E16 PolarHBondContact O-N 2.72Å; R13-D17 WeakPolarHBondContact O-CB 3.38Å; R13-D17 VanDerWaalsContact O-CG 3.26Å; R13-D17 PolarHBondContact O-N 2.98Å
14	A	79.8	Confident	77	Confident	78 Å²	78	117.9 Å²	117.9	65%	0.645	57%	0.573	S	S	*	*	H	α-helix	trans	-61.8	-34.9	-178.3	0	0	0	0	0	113.2	L18	A14-L18 PolarHBondContact O-N 3.43Å
15	K	82.1	Confident	77.5	Confident	147 Å²	147	113.4 Å²	113.4	64%	0.639	56%	0.562	S	S	*	*	H	α-helix	trans	-80.1	-33.6	179.8	-172.1	173.6	179.4	173.7	0	112.6	S12 R13 K19	S12-K15 PolarHBondContact O-N 2.82Å; R13-K15 VanDerWaalsContact C-N 3.27Å; R13-K15 PolarHBondContact O-N 2.89Å; K15-K19 PolarHBondContact O-N 3.36Å
16	E	85.2	Confident	77.5	Confident	77 Å²	77	114.8 Å²	114.8	36%	0.36	56%	0.558	S	S	.	*	H	α-helix	trans	-70.2	-34	172	64.2	167	158	0	0	112	S12 R13 L18 K19 R20	S12-E16 WeakPolarHBondContact O-CG 3.33Å; S12-E16 PolarHBondContact O-N 3.19Å; R13-E16 WeakPolarHBondContact CA-OE1 3.45Å; R13-E16 WeakPolarHBondContact O-CG 3.29Å; R13-E16 PolarHBondContact O-N 2.72Å; E16-L18 PolarHBondContact O-N 2.87Å; E16-K19 CarbonylContact O-C 3.58Å; E16-K19 PolarHBondContact O-N 3.2Å; E16-R20 VanDerWaalsContact CD-NH2 3.31Å; E16-R20 VanDerWaalsContact O-CB 3.27Å; E16-R20 WeakPolarHBondContact O-CB 3.43Å; E16-R20 PolarHBondContact O-N 3.06Å; E16-R20 IonicContact OE1-NH2 2.83Å; E16-R20 IonicContact OE2-CZ 3.75Å; E16-R20 IonicContact OE2-NH2 3.97Å; E16-R20 PolarHBondContact OE2-NH2 3.17Å
17	D	88.8	Confident	77.8	Confident	80 Å²	80	114.8 Å²	114.8	43%	0.428	55%	0.554	S	S	.	*	H	α-helix	trans	-63.1	-45.2	179.8	-76.9	-7.6	0	0	0	110.5	R13 K19 R20 V21	R13-D17 WeakPolarHBondContact O-CB 3.38Å; R13-D17 VanDerWaalsContact O-CG 3.26Å; R13-D17 PolarHBondContact O-N 2.98Å; D17-K19 VanDerWaalsContact C-N 3.32Å; D17-K19 PolarHBondContact O-N 3.48Å; D17-R20 WeakPolarHBondContact O-CB 3.43Å; D17-R20 PolarHBondContact O-N 2.89Å; D17-R20 VanDerWaalsContact O-N 3.13Å; D17-V21 WeakPolarHBondContact O-CB 3.03Å; D17-V21 VanDerWaalsContact O-CG2 3.28Å; D17-V21 WeakPolarHBondContact O-CG2 3.5Å; D17-V21 PolarHBondContact O-N 2.9Å
18	L	86.2	Confident	77.9	Confident	103 Å²	103	110 Å²	110	54%	0.539	55%	0.546	S	S	.	.	H	α-helix	trans	-57.6	-46.1	174.1	-174	61.9	0	0	0	111.4	A14 E16 R20 V21 H22	A14-L18 PolarHBondContact O-N 3.43Å; E16-L18 PolarHBondContact O-N 2.87Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.33Å; L18-V21 PolarHBondContact O-N 3.32Å; L18-H22 WeakPolarHBondContact CD1-CE1 3.46Å; L18-H22 VanDerWaalsContact CG-CE1 3.46Å; L18-H22 WeakPolarHBondContact CG-CE1 3.41Å; L18-H22 PolarHBondContact O-N 3.12Å; L18-H22 PolarHBondContact O-ND1 3.1Å
19	K	85.4	Confident	77.9	Confident	142 Å²	142	113.7 Å²	113.7	62%	0.617	55%	0.548	S	S	*	.	H	α-helix	trans	-65.3	-35.6	177.4	-71.5	-177.3	174.4	-171.3	0	112.6	K15 E16 D17 K23	K15-K19 PolarHBondContact O-N 3.36Å; E16-K19 CarbonylContact O-C 3.58Å; E16-K19 PolarHBondContact O-N 3.2Å; D17-K19 VanDerWaalsContact C-N 3.32Å; D17-K19 PolarHBondContact O-N 3.48Å; K19-K23 VanDerWaalsContact O-CB 3.29Å; K19-K23 WeakPolarHBondContact O-CB 3.27Å; K19-K23 PolarHBondContact O-N 3.46Å
20	R	86.3	Confident	78.4	Confident	143 Å²	143	111.3 Å²	111.3	54%	0.54	54%	0.543	S	S	.	.	H	α-helix	trans	-70.2	-41	179.1	-165	-175.8	-55.7	-165.8	3.2	110.7	E16 D17 L18 K23 S24	E16-R20 VanDerWaalsContact CD-NH2 3.31Å; E16-R20 VanDerWaalsContact O-CB 3.27Å; E16-R20 WeakPolarHBondContact O-CB 3.43Å; E16-R20 PolarHBondContact O-N 3.06Å; E16-R20 IonicContact OE1-NH2 2.83Å; E16-R20 IonicContact OE2-CZ 3.75Å; E16-R20 IonicContact OE2-NH2 3.97Å; E16-R20 PolarHBondContact OE2-NH2 3.17Å; D17-R20 WeakPolarHBondContact O-CB 3.43Å; D17-R20 PolarHBondContact O-N 2.89Å; D17-R20 VanDerWaalsContact O-N 3.13Å; L18-R20 VanDerWaalsContact C-N 3.31Å; L18-R20 PolarHBondContact O-N 3.33Å; R20-K23 PolarHBondContact O-N 2.79Å; R20-S24 VanDerWaalsContact O-CB 3.26Å; R20-S24 WeakPolarHBondContact O-CB 3.45Å; R20-S24 PolarHBondContact O-N 3.4Å; R20-S24 PolarHBondContact O-OG 3.37Å
21	V	86.7	Confident	79.3	Confident	87 Å²	87	113.2 Å²	113.2	53%	0.527	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-50.5	173	170.7	0	0	0	0	110	D17 L18 K23 S24 H25	D17-V21 WeakPolarHBondContact O-CB 3.03Å; D17-V21 VanDerWaalsContact O-CG2 3.28Å; D17-V21 WeakPolarHBondContact O-CG2 3.5Å; D17-V21 PolarHBondContact O-N 2.9Å; L18-V21 PolarHBondContact O-N 3.32Å; V21-K23 PolarHBondContact O-N 3.28Å; V21-S24 WeakPolarHBondContact CA-OG 3.22Å; V21-S24 CarbonylContact O-C 3.58Å; V21-S24 PolarHBondContact O-N 3.49Å; V21-S24 VanDerWaalsContact O-N 3.15Å; V21-S24 PolarHBondContact O-OG 2.84Å; V21-H25 VanDerWaalsContact O-CB 3.24Å; V21-H25 WeakPolarHBondContact O-CB 3.49Å; V21-H25 PolarHBondContact O-N 3.45Å
22	H	82.8	Confident	80.3	Confident	90 Å²	90	105.5 Å²	105.5	42%	0.417	51%	0.512	S	S	.	.	H	α-helix	trans	-56.9	-50.5	175.4	-74.7	106	0	0	0	111.8	L18 S24 H25 E26	L18-H22 WeakPolarHBondContact CD1-CE1 3.46Å; L18-H22 VanDerWaalsContact CG-CE1 3.46Å; L18-H22 WeakPolarHBondContact CG-CE1 3.41Å; L18-H22 PolarHBondContact O-N 3.12Å; L18-H22 PolarHBondContact O-ND1 3.1Å; H22-S24 VanDerWaalsContact C-N 3.29Å; H22-S24 PolarHBondContact O-N 2.8Å; H22-H25 CarbonylContact O-C 3.58Å; H22-H25 WeakPolarHBondContact O-CB 3.14Å; H22-H25 PolarHBondContact O-N 2.72Å; H22-H25 VanDerWaalsContact O-N 3.07Å; H22-E26 VanDerWaalsContact C-CD 3.47Å; H22-E26 WeakPolarHBondContact O-CB 3.17Å; H22-E26 VanDerWaalsContact O-CG 3.27Å; H22-E26 WeakPolarHBondContact O-CG 3.26Å; H22-E26 PolarHBondContact O-N 3.12Å
23	K	80.3	Confident	81.5	Confident	125 Å²	125	107.8 Å²	107.8	54%	0.543	51%	0.514	S	S	.	.	H	α-helix	trans	-58.9	-40.6	176.2	-174.3	178.9	178.7	-177.6	0	112	K19 R20 V21 E26 Q27	K19-K23 VanDerWaalsContact O-CB 3.29Å; K19-K23 WeakPolarHBondContact O-CB 3.27Å; K19-K23 PolarHBondContact O-N 3.46Å; R20-K23 PolarHBondContact O-N 2.79Å; V21-K23 PolarHBondContact O-N 3.28Å; K23-E26 WeakPolarHBondContact CA-OE2 3.07Å; K23-Q27 VanDerWaalsContact CE-NE2 3.31Å; K23-Q27 HydrophobicContact CG-CG 4.41Å; K23-Q27 WeakPolarHBondContact O-CB 3.11Å; K23-Q27 WeakPolarHBondContact O-CG 3.29Å; K23-Q27 PolarHBondContact O-N 3.07Å
24	S	80.2	Confident	82.3	Confident	65 Å²	65	106 Å²	106	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-69.5	-34.2	177.3	70.6	0	0	0	0	112.5	R20 V21 H22 Q27 V28	R20-S24 VanDerWaalsContact O-CB 3.26Å; R20-S24 WeakPolarHBondContact O-CB 3.45Å; R20-S24 PolarHBondContact O-N 3.4Å; R20-S24 PolarHBondContact O-OG 3.37Å; V21-S24 WeakPolarHBondContact CA-OG 3.22Å; V21-S24 CarbonylContact O-C 3.58Å; V21-S24 PolarHBondContact O-N 3.49Å; V21-S24 VanDerWaalsContact O-N 3.15Å; V21-S24 PolarHBondContact O-OG 2.84Å; H22-S24 VanDerWaalsContact C-N 3.29Å; H22-S24 PolarHBondContact O-N 2.8Å; S24-Q27 CarbonylContact O-C 3.33Å; S24-Q27 PolarHBondContact O-N 3.43Å; S24-V28 PolarHBondContact O-N 2.88Å
25	H	77.7	Confident	83.1	Confident	134 Å²	134	108.9 Å²	108.9	62%	0.62	50%	0.504	S	S	*	.	H	α-helix	trans	-71.3	-43.2	177.3	-179.4	-93.7	0	0	0	110.8	V21 H22 Q27 V28	V21-H25 VanDerWaalsContact O-CB 3.24Å; V21-H25 WeakPolarHBondContact O-CB 3.49Å; V21-H25 PolarHBondContact O-N 3.45Å; H22-H25 CarbonylContact O-C 3.58Å; H22-H25 WeakPolarHBondContact O-CB 3.14Å; H22-H25 PolarHBondContact O-N 2.72Å; H22-H25 VanDerWaalsContact O-N 3.07Å; H25-Q27 VanDerWaalsContact C-N 3.28Å; H25-Q27 PolarHBondContact O-N 2.83Å; H25-V28 VanDerWaalsContact O-CB 3.26Å; H25-V28 WeakPolarHBondContact O-CB 3.27Å; H25-V28 WeakPolarHBondContact O-CG2 3.38Å; H25-V28 PolarHBondContact O-N 2.77Å; H25-V28 VanDerWaalsContact O-N 3.12Å
26	E	68	Low	83.7	Confident	125 Å²	125	104.4 Å²	104.4	58%	0.584	49%	0.489	S	S	*	.	H	α-helix	trans	-66.6	-31.8	171.6	-68.7	141.8	-161.6	0	0	111.4	H22 K23 V28	H22-E26 VanDerWaalsContact C-CD 3.47Å; H22-E26 WeakPolarHBondContact O-CB 3.17Å; H22-E26 VanDerWaalsContact O-CG 3.27Å; H22-E26 WeakPolarHBondContact O-CG 3.26Å; H22-E26 PolarHBondContact O-N 3.12Å; K23-E26 WeakPolarHBondContact CA-OE2 3.07Å; E26-V28 VanDerWaalsContact C-N 3.26Å; E26-V28 PolarHBondContact O-N 2.71Å
27	Q	65.7	Low	84.2	Confident	131 Å²	131	104 Å²	104	61%	0.612	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	8.5	172.1	-72.9	-177.9	-10.7	0	0	113.8	K23 S24 H25 R29	K23-Q27 VanDerWaalsContact CE-NE2 3.31Å; K23-Q27 HydrophobicContact CG-CG 4.41Å; K23-Q27 WeakPolarHBondContact O-CB 3.11Å; K23-Q27 WeakPolarHBondContact O-CG 3.29Å; K23-Q27 PolarHBondContact O-N 3.07Å; S24-Q27 CarbonylContact O-C 3.33Å; S24-Q27 PolarHBondContact O-N 3.43Å; H25-Q27 VanDerWaalsContact C-N 3.28Å; H25-Q27 PolarHBondContact O-N 2.83Å; Q27-R29 PolarHBondContact O-N 3.46Å
28	V	66.6	Low	84.5	Confident	88 Å²	88	102.8 Å²	102.8	53%	0.533	50%	0.495	S	S	.	.	S	Bend	trans	-60.2	99.9	167.4	173.8	0	0	0	0	105.7	S24 H25 E26 S30	S24-V28 PolarHBondContact O-N 2.88Å; H25-V28 VanDerWaalsContact O-CB 3.26Å; H25-V28 WeakPolarHBondContact O-CB 3.27Å; H25-V28 WeakPolarHBondContact O-CG2 3.38Å; H25-V28 PolarHBondContact O-N 2.77Å; H25-V28 VanDerWaalsContact O-N 3.12Å; E26-V28 VanDerWaalsContact C-N 3.26Å; E26-V28 PolarHBondContact O-N 2.71Å; V28-S30 WeakPolarHBondContact O-CA 3.44Å; V28-S30 PolarHBondContact O-N 3.07Å; V28-S30 PolarHBondContact O-OG 3.3Å
29	R	75.8	Confident	85	Confident	152 Å²	152	106 Å²	106	57%	0.574	50%	0.504	S	S	*	.			trans	-43.3	104	177.4	179.3	177.1	-174.9	79.4	2.1	106	Q27 W31	Q27-R29 PolarHBondContact O-N 3.46Å; R29-W31 PolarHBondContact O-N 2.75Å; R29-W31 PolarHBondContact O-NE1 3.46Å
30	S	80.5	Confident	85.5	Confident	54 Å²	54	106.1 Å²	106.1	38%	0.378	51%	0.512	S	S	.	.			trans	-62.9	133.1	-168.1	-48.8	0	0	0	0	107.5	V28 S51	V28-S30 WeakPolarHBondContact O-CA 3.44Å; V28-S30 PolarHBondContact O-N 3.07Å; V28-S30 PolarHBondContact O-OG 3.3Å; S30-S51 WeakPolarHBondContact O-CA 3.42Å; S30-S51 WeakPolarHBondContact O-CB 3.45Å; S30-S51 PolarHBondContact O-N 3.48Å
31	W	89.7	Confident	85.9	Confident	141 Å²	141	102.8 Å²	102.8	53%	0.534	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.3	173.7	-68.9	76.7	0	0	0	107.3	R29 W48 V49 P50	R29-W31 PolarHBondContact O-N 2.75Å; R29-W31 PolarHBondContact O-NE1 3.46Å; W31-W48 HydrophobicContact CB-CB 4.38Å; W31-W48 HydrophobicContact CB-CE3 3.86Å; W31-W48 HydrophobicContact CD2-CB 4.44Å; W31-W48 VanDerWaalsContact CE3-C 3.45Å; W31-W48 HydrophobicContact CE3-CB 3.67Å; W31-W48 VanDerWaalsContact CE3-O 3.26Å; W31-W48 HydrophobicContact CZ3-CB 4.33Å; W31-W48 WeakPolarHBondContact CZ3-O 3.28Å; W31-W48 WeakPolarHBondContact O-CZ3 3.46Å; W31-V49 WeakPolarHBondContact CA-O 3.02Å; W31-P50 HydrophobicContact CE3-CG 4.37Å; W31-P50 HydrophobicContact CH2-CG 4.29Å; W31-P50 HydrophobicContact CZ3-CG 4.17Å
32	E	90.3	Very high	86.3	Confident	57 Å²	57	104.7 Å²	104.7	27%	0.266	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.5	173	51.5	169.1	-170.8	0	0	110	K34 V49	E32-K34 HydrophobicContact CB-CD 4.48Å; E32-K34 HydrophobicContact CB-CG 4.3Å; E32-K34 VanDerWaalsContact CD-CD 3.47Å; E32-K34 HydrophobicContact CG-CD 4.04Å; E32-K34 HydrophobicContact CG-CG 3.68Å; E32-K34 PolarHBondContact O-N 3.21Å; E32-K34 WeakPolarHBondContact OE1-CE 3.35Å; E32-K34 IonicContact OE1-NZ 2.78Å; E32-K34 PolarHBondContact OE1-NZ 2.78Å; E32-K34 WeakPolarHBondContact OE2-CD 3.3Å; E32-K34 WeakPolarHBondContact OE2-CE 3.46Å; E32-K34 IonicContact OE2-NZ 2.75Å; E32-K34 PolarHBondContact OE2-NZ 2.96Å; E32-V49 PolarHBondContact N-O 3.46Å; E32-V49 PolarHBondContact O-N 2.72Å
33	K	95.1	Very high	86.9	Confident	112 Å²	112	106.2 Å²	106.2	49%	0.487	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	110.1	173.1	-170.2	-176.8	177.1	79.8	0	107.7	Y46 W48	K33-Y46 HydrophobicContact CD-CD1 4.02Å; K33-Y46 HydrophobicContact CD-CE1 4.33Å; K33-Y46 HydrophobicContact CD-CG 4.25Å; K33-Y46 HydrophobicContact CG-CD1 3.58Å; K33-Y46 HydrophobicContact CG-CE1 4.16Å; K33-Y46 HydrophobicContact CG-CG 4.07Å; K33-W48 HydrophobicContact CB-CD2 4.46Å; K33-W48 HydrophobicContact CB-CE3 4.11Å; K33-W48 HydrophobicContact CB-CH2 4.16Å; K33-W48 HydrophobicContact CB-CZ2 4.49Å; K33-W48 HydrophobicContact CB-CZ3 3.95Å
34	K	94.3	Very high	87.7	Confident	94 Å²	94	104.8 Å²	104.8	41%	0.409	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.4	-178.3	-61.1	-71.3	-108.4	-139.8	0	110.6	E32 V36 Y46 K47 V49	E32-K34 HydrophobicContact CB-CD 4.48Å; E32-K34 HydrophobicContact CB-CG 4.3Å; E32-K34 VanDerWaalsContact CD-CD 3.47Å; E32-K34 HydrophobicContact CG-CD 4.04Å; E32-K34 HydrophobicContact CG-CG 3.68Å; E32-K34 PolarHBondContact O-N 3.21Å; E32-K34 WeakPolarHBondContact OE1-CE 3.35Å; E32-K34 IonicContact OE1-NZ 2.78Å; E32-K34 PolarHBondContact OE1-NZ 2.78Å; E32-K34 WeakPolarHBondContact OE2-CD 3.3Å; E32-K34 WeakPolarHBondContact OE2-CE 3.46Å; E32-K34 IonicContact OE2-NZ 2.75Å; E32-K34 PolarHBondContact OE2-NZ 2.96Å; K34-V36 PolarHBondContact O-N 3.49Å; K34-Y46 WeakPolarHBondContact O-CA 3.26Å; K34-K47 PolarHBondContact N-O 3.15Å; K34-K47 PolarHBondContact O-N 2.72Å; K34-V49 HydrophobicContact CB-CG2 4.16Å; K34-V49 HydrophobicContact CG-CB 4.42Å
35	W	96.8	Very high	88.5	Confident	139 Å²	139	105 Å²	105	53%	0.527	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	121.9	166.4	-72.3	112.4	0	0	0	109	L44 V45 Y46	W35-L44 HydrophobicContact CB-CB 4.16Å; W35-L44 HydrophobicContact CB-CD1 4.1Å; W35-L44 HydrophobicContact CD2-CB 4.14Å; W35-L44 HydrophobicContact CE3-CB 3.58Å; W35-L44 HydrophobicContact CG-CB 4.43Å; W35-L44 HydrophobicContact CG-CD1 4.42Å; W35-L44 HydrophobicContact CZ3-CB 4.26Å; W35-L44 VanDerWaalsContact CZ3-O 3.29Å; W35-L44 WeakPolarHBondContact CZ3-O 3.49Å; W35-V45 WeakPolarHBondContact CA-O 3.24Å; W35-Y46 AromaticContact CD1-CE1 3.71Å; W35-Y46 AromaticContact CD2-CD1 3.86Å; W35-Y46 HydrophobicContact CD2-CD1 3.86Å; W35-Y46 HydrophobicContact CD2-CD2 4.27Å; W35-Y46 AromaticContact CD2-CE1 3.72Å; W35-Y46 HydrophobicContact CD2-CE1 3.72Å; W35-Y46 HydrophobicContact CD2-CE2 4.14Å; W35-Y46 HydrophobicContact CD2-CG 4.16Å; W35-Y46 AromaticContact CD2-CZ 3.86Å; W35-Y46 AromaticContact CE2-CD1 4Å; W35-Y46 AromaticContact CE2-CE1 3.41Å; W35-Y46 VanDerWaalsContact CE2-CE1 3.41Å; W35-Y46 AromaticContact CE2-CE2 3.45Å; W35-Y46 VanDerWaalsContact CE2-CE2 3.45Å; W35-Y46 AromaticContact CE2-CZ 3.09Å; W35-Y46 VanDerWaalsContact CE2-OH 3.29Å; W35-Y46 HydrophobicContact CE3-CD1 4.18Å; W35-Y46 HydrophobicContact CE3-CD2 4.09Å; W35-Y46 HydrophobicContact CE3-CE1 4.41Å; W35-Y46 HydrophobicContact CE3-CE2 4.33Å; W35-Y46 HydrophobicContact CE3-CG 4.03Å; W35-Y46 HydrophobicContact CG-CD1 4.2Å; W35-Y46 AromaticContact CG-CE1 3.96Å; W35-Y46 HydrophobicContact CG-CE1 3.96Å; W35-Y46 AromaticContact CH2-CD2 3.48Å; W35-Y46 HydrophobicContact CH2-CD2 3.48Å; W35-Y46 VanDerWaalsContact CH2-CD2 3.48Å; W35-Y46 AromaticContact CH2-CE2 3.28Å; W35-Y46 HydrophobicContact CH2-CE2 3.28Å; W35-Y46 HydrophobicContact CH2-CG 4.26Å; W35-Y46 AromaticContact CH2-CZ 3.91Å; W35-Y46 HydrophobicContact CZ2-CD1 4.47Å; W35-Y46 AromaticContact CZ2-CD2 3.68Å; W35-Y46 HydrophobicContact CZ2-CD2 3.68Å; W35-Y46 AromaticContact CZ2-CE1 3.94Å; W35-Y46 HydrophobicContact CZ2-CE1 3.94Å; W35-Y46 AromaticContact CZ2-CE2 3Å; W35-Y46 HydrophobicContact CZ2-CE2 3Å; W35-Y46 HydrophobicContact CZ2-CG 4.37Å; W35-Y46 AromaticContact CZ2-CZ 3.16Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.27Å; W35-Y46 AromaticContact CZ3-CD2 3.7Å; W35-Y46 HydrophobicContact CZ3-CD2 3.7Å; W35-Y46 AromaticContact CZ3-CE2 3.94Å; W35-Y46 HydrophobicContact CZ3-CE2 3.94Å; W35-Y46 HydrophobicContact CZ3-CG 4.07Å; W35-Y46 AromaticContact NE1-CE1 3.35Å; W35-Y46 AromaticContact NE1-CZ 3.23Å; W35-Y46 PolarHBondContact NE1-OH 2.95Å
36	V	95.2	Very high	89.5	Confident	53 Å²	53	104.2 Å²	104.2	32%	0.321	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.9	175.9	-179.1	0	0	0	0	107.7	K34 V38 V45 K47 V49	K34-V36 PolarHBondContact O-N 3.49Å; V36-V38 PolarHBondContact O-N 3.34Å; V36-V45 PolarHBondContact N-O 3Å; V36-V45 PolarHBondContact O-N 3.45Å; V36-K47 HydrophobicContact CB-CB 4.32Å; V36-K47 HydrophobicContact CG2-CB 3.79Å; V36-K47 HydrophobicContact CG2-CD 4.48Å; V36-V49 HydrophobicContact CG2-CG2 3.91Å
37	A	96.5	Very high	90.8	Very high	69 Å²	69	104.4 Å²	104.4	57%	0.57	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	133.1	175.8	0	0	0	0	0	110.4	L44	A37-L44 HydrophobicContact CB-CD2 3.86Å
38	V	95	Very high	92.2	Very high	55 Å²	55	105.3 Å²	105.3	33%	0.333	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-76.7	126.8	172.8	175	0	0	0	0	107.6	V36 D40 T41 M43 V45	V36-V38 PolarHBondContact O-N 3.34Å; V38-D40 PolarHBondContact O-N 3.43Å; V38-T41 VanDerWaalsContact CB-OG1 3.26Å; V38-T41 WeakPolarHBondContact CB-OG1 3.46Å; V38-T41 HydrophobicContact CG1-CG2 4.23Å; V38-T41 PolarHBondContact O-N 2.8Å; V38-T41 PolarHBondContact O-OG1 3.45Å; V38-M43 PolarHBondContact N-O 3.17Å; V38-V45 HydrophobicContact CG2-CB 4.2Å; V38-V45 HydrophobicContact CG2-CG1 3.54Å; V38-V45 HydrophobicContact CG2-CG2 3.68Å
39	K	95.8	Very high	93.3	Very high	170 Å²	170	103.2 Å²	103.2	74%	0.739	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	137.6	-179.9	-164	-164.6	167.2	-166.5	0	109.6	T41	K39-T41 PolarHBondContact O-N 2.77Å
40	D	95.5	Very high	94	Very high	145 Å²	145	97.9 Å²	97.9	78%	0.775	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	15.1	176.2	-46.1	-43.2	0	0	0	114.9	V38	V38-D40 PolarHBondContact O-N 3.43Å
41	T	95.2	Very high	94.2	Very high	73 Å²	73	96 Å²	96	45%	0.448	48%	0.478	S	S	.	.	S	Bend	trans	-137.5	164.3	173.5	72.5	0	0	0	0	111.6	V38 K39 M43	V38-T41 VanDerWaalsContact CB-OG1 3.26Å; V38-T41 WeakPolarHBondContact CB-OG1 3.46Å; V38-T41 HydrophobicContact CG1-CG2 4.23Å; V38-T41 PolarHBondContact O-N 2.8Å; V38-T41 PolarHBondContact O-OG1 3.45Å; K39-T41 PolarHBondContact O-N 2.77Å; T41-M43 VanDerWaalsContact C-N 3.26Å; T41-M43 PolarHBondContact OG1-N 3.13Å
42	S	94.8	Very high	93.5	Very high	127 Å²	127	96.3 Å²	96.3	89%	0.888	49%	0.489	S	S	*	.	S	Bend	trans	-85.5	7.6	171.4	60.6	0	0	0	0	113.7
43	M	96.8	Very high	92.4	Very high	122 Å²	122	99.5 Å²	99.5	60%	0.601	51%	0.507	S	S	*	.			trans	-87.5	149.3	-174.9	-63.5	-179.9	68.8	0	0	112.2	V38 T41	V38-M43 PolarHBondContact N-O 3.17Å; T41-M43 VanDerWaalsContact C-N 3.26Å; T41-M43 PolarHBondContact OG1-N 3.13Å
44	L	96.9	Very high	90.8	Very high	95 Å²	95	100.3 Å²	100.3	50%	0.497	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.1	170.8	-58.8	179.3	0	0	0	109.5	W35 A37	W35-L44 HydrophobicContact CB-CB 4.16Å; W35-L44 HydrophobicContact CB-CD1 4.1Å; W35-L44 HydrophobicContact CD2-CB 4.14Å; W35-L44 HydrophobicContact CE3-CB 3.58Å; W35-L44 HydrophobicContact CG-CB 4.43Å; W35-L44 HydrophobicContact CG-CD1 4.42Å; W35-L44 HydrophobicContact CZ3-CB 4.26Å; W35-L44 VanDerWaalsContact CZ3-O 3.29Å; W35-L44 WeakPolarHBondContact CZ3-O 3.49Å; A37-L44 HydrophobicContact CB-CD2 3.86Å
45	V	96.8	Very high	89.2	Confident	68 Å²	68	99.7 Å²	99.7	41%	0.412	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.6	172.5	-66.3	0	0	0	0	110.3	W35 V36 V38 K47	W35-V45 WeakPolarHBondContact CA-O 3.24Å; V36-V45 PolarHBondContact N-O 3Å; V36-V45 PolarHBondContact O-N 3.45Å; V38-V45 HydrophobicContact CG2-CB 4.2Å; V38-V45 HydrophobicContact CG2-CG1 3.54Å; V38-V45 HydrophobicContact CG2-CG2 3.68Å; V45-K47 PolarHBondContact O-N 3.37Å
46	Y	97.4	Very high	87.2	Confident	118 Å²	118	101.6 Å²	101.6	46%	0.463	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	121.4	172.5	-81.4	-63.2	0	0	0	110.5	K33 K34 W35	K33-Y46 HydrophobicContact CD-CD1 4.02Å; K33-Y46 HydrophobicContact CD-CE1 4.33Å; K33-Y46 HydrophobicContact CD-CG 4.25Å; K33-Y46 HydrophobicContact CG-CD1 3.58Å; K33-Y46 HydrophobicContact CG-CE1 4.16Å; K33-Y46 HydrophobicContact CG-CG 4.07Å; K34-Y46 WeakPolarHBondContact O-CA 3.26Å; W35-Y46 AromaticContact CD1-CE1 3.71Å; W35-Y46 AromaticContact CD2-CD1 3.86Å; W35-Y46 HydrophobicContact CD2-CD1 3.86Å; W35-Y46 HydrophobicContact CD2-CD2 4.27Å; W35-Y46 AromaticContact CD2-CE1 3.72Å; W35-Y46 HydrophobicContact CD2-CE1 3.72Å; W35-Y46 HydrophobicContact CD2-CE2 4.14Å; W35-Y46 HydrophobicContact CD2-CG 4.16Å; W35-Y46 AromaticContact CD2-CZ 3.86Å; W35-Y46 AromaticContact CE2-CD1 4Å; W35-Y46 AromaticContact CE2-CE1 3.41Å; W35-Y46 VanDerWaalsContact CE2-CE1 3.41Å; W35-Y46 AromaticContact CE2-CE2 3.45Å; W35-Y46 VanDerWaalsContact CE2-CE2 3.45Å; W35-Y46 AromaticContact CE2-CZ 3.09Å; W35-Y46 VanDerWaalsContact CE2-OH 3.29Å; W35-Y46 HydrophobicContact CE3-CD1 4.18Å; W35-Y46 HydrophobicContact CE3-CD2 4.09Å; W35-Y46 HydrophobicContact CE3-CE1 4.41Å; W35-Y46 HydrophobicContact CE3-CE2 4.33Å; W35-Y46 HydrophobicContact CE3-CG 4.03Å; W35-Y46 HydrophobicContact CG-CD1 4.2Å; W35-Y46 AromaticContact CG-CE1 3.96Å; W35-Y46 HydrophobicContact CG-CE1 3.96Å; W35-Y46 AromaticContact CH2-CD2 3.48Å; W35-Y46 HydrophobicContact CH2-CD2 3.48Å; W35-Y46 VanDerWaalsContact CH2-CD2 3.48Å; W35-Y46 AromaticContact CH2-CE2 3.28Å; W35-Y46 HydrophobicContact CH2-CE2 3.28Å; W35-Y46 HydrophobicContact CH2-CG 4.26Å; W35-Y46 AromaticContact CH2-CZ 3.91Å; W35-Y46 HydrophobicContact CZ2-CD1 4.47Å; W35-Y46 AromaticContact CZ2-CD2 3.68Å; W35-Y46 HydrophobicContact CZ2-CD2 3.68Å; W35-Y46 AromaticContact CZ2-CE1 3.94Å; W35-Y46 HydrophobicContact CZ2-CE1 3.94Å; W35-Y46 AromaticContact CZ2-CE2 3Å; W35-Y46 HydrophobicContact CZ2-CE2 3Å; W35-Y46 HydrophobicContact CZ2-CG 4.37Å; W35-Y46 AromaticContact CZ2-CZ 3.16Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.27Å; W35-Y46 AromaticContact CZ3-CD2 3.7Å; W35-Y46 HydrophobicContact CZ3-CD2 3.7Å; W35-Y46 AromaticContact CZ3-CE2 3.94Å; W35-Y46 HydrophobicContact CZ3-CE2 3.94Å; W35-Y46 HydrophobicContact CZ3-CG 4.07Å; W35-Y46 AromaticContact NE1-CE1 3.35Å; W35-Y46 AromaticContact NE1-CZ 3.23Å; W35-Y46 PolarHBondContact NE1-OH 2.95Å
47	K	95.7	Very high	85.4	Confident	130 Å²	130	102.1 Å²	102.1	57%	0.565	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.1	171.6	-167.9	173.6	179.9	177.7	0	109.2	K34 V36 V45 V49	K34-K47 PolarHBondContact N-O 3.15Å; K34-K47 PolarHBondContact O-N 2.72Å; V36-K47 HydrophobicContact CB-CB 4.32Å; V36-K47 HydrophobicContact CG2-CB 3.79Å; V36-K47 HydrophobicContact CG2-CD 4.48Å; V45-K47 PolarHBondContact O-N 3.37Å; K47-V49 HydrophobicContact CB-CG2 4.4Å; K47-V49 PolarHBondContact O-N 3.49Å
48	W	94.7	Very high	83.3	Confident	149 Å²	149	105.2 Å²	105.2	56%	0.564	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71.8	116.6	165.6	-69.3	105.5	0	0	0	107.4	W31 K33	W31-W48 HydrophobicContact CB-CB 4.38Å; W31-W48 HydrophobicContact CB-CE3 3.86Å; W31-W48 HydrophobicContact CD2-CB 4.44Å; W31-W48 VanDerWaalsContact CE3-C 3.45Å; W31-W48 HydrophobicContact CE3-CB 3.67Å; W31-W48 VanDerWaalsContact CE3-O 3.26Å; W31-W48 HydrophobicContact CZ3-CB 4.33Å; W31-W48 WeakPolarHBondContact CZ3-O 3.28Å; W31-W48 WeakPolarHBondContact O-CZ3 3.46Å; K33-W48 HydrophobicContact CB-CD2 4.46Å; K33-W48 HydrophobicContact CB-CE3 4.11Å; K33-W48 HydrophobicContact CB-CH2 4.16Å; K33-W48 HydrophobicContact CB-CZ2 4.49Å; K33-W48 HydrophobicContact CB-CZ3 3.95Å
49	V	91.6	Very high	81.3	Confident	45 Å²	45	107 Å²	107	27%	0.273	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.5	140.3	178.5	-178	0	0	0	0	107.9	W31 E32 K34 V36 K47 S51	W31-V49 WeakPolarHBondContact CA-O 3.02Å; E32-V49 PolarHBondContact N-O 3.46Å; E32-V49 PolarHBondContact O-N 2.72Å; K34-V49 HydrophobicContact CB-CG2 4.16Å; K34-V49 HydrophobicContact CG-CB 4.42Å; V36-V49 HydrophobicContact CG2-CG2 3.91Å; K47-V49 HydrophobicContact CB-CG2 4.4Å; K47-V49 PolarHBondContact O-N 3.49Å; V49-S51 PolarHBondContact O-N 3.33Å; V49-S51 VanDerWaalsContact O-N 3.1Å
50	P	90.5	Very high	79.3	Confident	39 Å²	39	108.2 Å²	108.2	25%	0.253	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-55.4	118.9	172.5	-25.1	34.7	0	0	0	110.5	W31 L52	W31-P50 HydrophobicContact CE3-CG 4.37Å; W31-P50 HydrophobicContact CH2-CG 4.29Å; W31-P50 HydrophobicContact CZ3-CG 4.17Å; P50-L52 PolarHBondContact O-N 2.78Å
51	S	83.1	Confident	77.2	Confident	15 Å²	15	111.4 Å²	111.4	11%	0.105	58%	0.579	C	S	.	*			trans	-70	127.5	174.4	-173.4	0	0	0	0	108.9	S30 V49 I53	S30-S51 WeakPolarHBondContact O-CA 3.42Å; S30-S51 WeakPolarHBondContact O-CB 3.45Å; S30-S51 PolarHBondContact O-N 3.48Å; V49-S51 PolarHBondContact O-N 3.33Å; V49-S51 VanDerWaalsContact O-N 3.1Å; S51-I53 VanDerWaalsContact C-N 3.28Å
52	L	75	Confident	74.9	Confident	147 Å²	147	111 Å²	111	77%	0.77	59%	0.589	S	S	*	*			trans	-87.6	-1.4	177.6	-59.9	178.1	0	0	0	112.3	P50 I54	P50-L52 PolarHBondContact O-N 2.78Å; L52-I54 PolarHBondContact O-N 3.25Å
53	I	68.1	Low	72.7	Confident	125 Å²	125	112.2 Å²	112.2	64%	0.641	59%	0.591	S	S	*	*			trans	-78.6	74.2	173.2	-49.9	174.1	0	0	0	107.4	S51 D55	S51-I53 VanDerWaalsContact C-N 3.28Å; I53-D55 VanDerWaalsContact C-N 3.33Å; I53-D55 PolarHBondContact O-N 3.01Å
54	I	61.8	Low	70.4	Confident	129 Å²	129	114.6 Å²	114.6	66%	0.662	60%	0.598	S	S	*	*			trans	-81.4	92.9	165.7	-61.3	166	0	0	0	105	L52 M56	L52-I54 PolarHBondContact O-N 3.25Å; I54-M56 VanDerWaalsContact C-N 3.27Å; I54-M56 PolarHBondContact O-N 3.36Å
55	D	59.5	Low	68	Low	80 Å²	80	116.2 Å²	116.2	43%	0.428	61%	0.608	S	S	.	*			trans	11.5	63.2	147	-69.1	-23.8	0	0	0	117.7	I53 G57 H58	I53-D55 VanDerWaalsContact C-N 3.33Å; I53-D55 PolarHBondContact O-N 3.01Å; D55-G57 PolarHBondContact O-N 3.29Å; D55-H58 VanDerWaalsContact CB-NE2 3.27Å; D55-H58 WeakPolarHBondContact CB-NE2 3.49Å; D55-H58 IonicContact OD1-CE1 3.34Å; D55-H58 PolarHBondContact OD1-CE1 3.21Å; D55-H58 IonicContact OD1-NE2 3Å; D55-H58 PolarHBondContact OD1-NE2 2.93Å; D55-H58 IonicContact OD2-CD2 3.06Å; D55-H58 IonicContact OD2-CE1 3.43Å; D55-H58 IonicContact OD2-NE2 3.17Å; D55-H58 PolarHBondContact OD2-NE2 2.75Å
56	M	56	Low	65.7	Low	180 Å²	180	123.9 Å²	123.9	89%	0.887	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	5.3	163.7	-141.8	79.2	73.2	0	0	111.2	I54	I54-M56 VanDerWaalsContact C-N 3.27Å; I54-M56 PolarHBondContact O-N 3.36Å
57	G	56.2	Low	63.7	Low	64 Å²	64	127 Å²	127	66%	0.66	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-12.4	-171.9	0	0	0	0	0	116.5	D55	D55-G57 PolarHBondContact O-N 3.29Å
58	H	53.4	Low	61.5	Low	134 Å²	134	125.9 Å²	125.9	62%	0.62	66%	0.656	S	S	*	*			trans	-101.7	-4.2	-171.8	-43.4	-27.2	0	0	0	114.5	D55 K60	D55-H58 VanDerWaalsContact CB-NE2 3.27Å; D55-H58 WeakPolarHBondContact CB-NE2 3.49Å; D55-H58 IonicContact OD1-CE1 3.34Å; D55-H58 PolarHBondContact OD1-CE1 3.21Å; D55-H58 IonicContact OD1-NE2 3Å; D55-H58 PolarHBondContact OD1-NE2 2.93Å; D55-H58 IonicContact OD2-CD2 3.06Å; D55-H58 IonicContact OD2-CE1 3.43Å; D55-H58 IonicContact OD2-NE2 3.17Å; D55-H58 PolarHBondContact OD2-NE2 2.75Å; H58-K60 PolarHBondContact O-N 3.24Å; H58-K60 VanDerWaalsContact O-N 3.12Å
59	S	53	Low	59	Low	92 Å²	92	124.5 Å²	124.5	64%	0.643	67%	0.669	S	S	*	*			trans	-79.9	94.3	167.6	88.6	0	0	0	0	107.7
60	K	53.3	Low	57.5	Low	196 Å²	196	129.8 Å²	129.8	85%	0.852	70%	0.695	S	S	*	*			trans	161.2	78.2	154.5	-84.5	155.8	-144.1	-175.7	0	111	H58	H58-K60 PolarHBondContact O-N 3.24Å; H58-K60 VanDerWaalsContact O-N 3.12Å
61	K	51.9	Low	55.4	Low	212 Å²	212	135.1 Å²	135.1	92%	0.922	72%	0.721	S	S	*	*			trans	-146.1	89.2	140.9	-104.3	180	-175.9	-177.8	0	107.9
62	G	46.7	Very low	53.6	Low	65 Å²	65	142 Å²	142	67%	0.67	76%	0.757	S	S	*	*			trans	-73.9	176.1	165.1	0	0	0	0	0	111.6
63	T	47.8	Very low	52.2	Low	151 Å²	151	139.8 Å²	139.8	93%	0.926	76%	0.76	S	S	*	*			trans	90.9	109.2	-175.6	-37.5	0	0	0	0	111
64	F	48.8	Very low	51.2	Low	172 Å²	172	138.3 Å²	138.3	75%	0.754	76%	0.76	S	S	*	*			cis	-148.9	146.5	22.6	80.9	-61.8	0	0	0	107.1
65	N	47.8	Very low	50.4	Low	129 Å²	129	140.4 Å²	140.4	69%	0.69	77%	0.772	S	S	*	*				-174.3	141.2	92.4	-156.5	3.8	0	0	0	109
66	R	47.1	Very low	50	Low	229 Å²	229	144.3 Å²	144.3	86%	0.864	79%	0.791	S	S	*	*			trans	-48.5	126.6	178.8	-92.2	173.4	-93.4	-98.7	-2.3	113.6
67	Q	56.2	Low	49.3	Very low	185 Å²	185	141.1 Å²	141.1	86%	0.864	79%	0.787	S	S	*	*				-172.2	138.2	122.1	-111.7	167.2	11.4	0	0	113.2
68	S	48.8	Very low	48.8	Very low	105 Å²	105	144.6 Å²	144.6	73%	0.734	80%	0.8	S	S	*	*			trans	60.5	104.1	157	61.6	0	0	0	0	119.7
69	S	42.5	Very low	48.3	Very low	120 Å²	120	141.7 Å²	141.7	84%	0.839	81%	0.807	S	S	*	*			trans	-53.4	123.1	155.7	14.4	0	0	0	0	113.5
70	I	60	Low	48.2	Very low	157 Å²	157	144.7 Å²	144.7	81%	0.805	81%	0.814	S	S	*	*			trans	-151.7	111.3	143.4	-12.2	167.6	0	0	0	108.1
71	N	46	Very low	48	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	81%	0.813	S	S	*	*			trans	-65.3	130.9	170.7	-63.8	-40.8	0	0	0	108.7
72	N	46.5	Very low	47.6	Very low	161 Å²	161	137.9 Å²	137.9	86%	0.861	81%	0.805	S	S	*	*			trans	-156	106.1	151.4	-88	-29	0	0	0	108.3
73	A	44.5	Very low	47.6	Very low	100 Å²	100	138.2 Å²	138.2	83%	0.826	80%	0.797	S	S	*	*			trans	-84.6	124.7	172.1	0	0	0	0	0	109.5
74	S	47.8	Very low	47.7	Very low	93 Å²	93	141.5 Å²	141.5	65%	0.65	79%	0.794	S	S	*	*			trans	-161.4	93.5	158.1	54.9	0	0	0	0	106.4
75	L	45.8	Very low	47.5	Very low	174 Å²	174	138.9 Å²	138.9	91%	0.911	80%	0.797	S	S	*	*				45.8	90.4	92.9	-65.6	167.8	0	0	0	111.2
76	I	50.4	Low	47.6	Very low	161 Å²	161	137.5 Å²	137.5	83%	0.826	80%	0.797	S	S	*	*			trans	-140.2	107.7	156.8	3.3	176.1	0	0	0	109.2
77	S	40.9	Very low	47.7	Very low	114 Å²	114	135.3 Å²	135.3	80%	0.797	80%	0.796	S	S	*	*			trans	71.3	82.5	142.8	-150.6	0	0	0	0	118.1
78	S	45.2	Very low	47	Very low	136 Å²	136	135.4 Å²	135.4	95%	0.951	80%	0.797	S	S	*	*			trans	-151.9	86.7	143.1	-74.1	0	0	0	0	106.7
79	G	43	Very low	47.1	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	79%	0.788	S	S	*	*			trans	-167.6	72.4	-172.7	0	0	0	0	0	110.3
80	I	51.4	Low	47.1	Very low	155 Å²	155	136.5 Å²	136.5	80%	0.795	78%	0.784	S	S	*	*			trans	-119.5	144.2	152.2	53.4	171	0	0	0	105.8
81	L	48.9	Very low	46.7	Very low	156 Å²	156	138.6 Å²	138.6	82%	0.817	79%	0.79	S	S	*	*			trans	97.5	117.7	177.5	-46.9	178.2	0	0	0	115
82	S	42.7	Very low	46.7	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	79%	0.789	S	S	*	*			trans	84.2	126.4	153.7	-55.6	0	0	0	0	116.3
83	S	48.6	Very low	47	Very low	71 Å²	71	138.7 Å²	138.7	50%	0.497	79%	0.791	S	S	.	*			cis	164.4	112.9	-5.6	34.2	0	0	0	0	104.4
84	Y	49.5	Very low	47	Very low	220 Å²	220	138.9 Å²	138.9	86%	0.863	79%	0.787	S	S	*	*			trans	50.3	137.3	145.8	-16.3	-67.1	0	0	0	121.2
85	S	44.8	Very low	47.4	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	80%	0.799	S	S	*	*			trans	89	141.1	155.2	-148.4	0	0	0	0	117.6
86	C	48.8	Very low	47.4	Very low	101 Å²	101	138 Å²	138	68%	0.682	79%	0.793	S	S	*	*			cis	-170.3	133.1	-25.7	-100.3	0	0	0	0	106.1
87	Q	50.3	Low	47.6	Very low	182 Å²	182	135.4 Å²	135.4	85%	0.85	79%	0.789	S	S	*	*			trans	49	108.8	144.2	-58.2	175.7	0.9	0	0	122.5
88	Q	41.4	Very low	48	Very low	188 Å²	188	136.8 Å²	136.8	88%	0.879	79%	0.787	S	S	*	*				22.4	176.4	120.1	-77.6	-161.2	-41.1	0	0	122.3
89	P	50.3	Low	48	Very low	86 Å²	86	136.8 Å²	136.8	56%	0.558	78%	0.776	S	S	*	*			cis	-133	176.5	-23.3	21.2	5.5	0	0	0	111.9
90	E	41.9	Very low	48.5	Very low	161 Å²	161	140 Å²	140	75%	0.752	78%	0.781	S	S	*	*				163.4	134.7	87.4	-68.9	-64.9	179.8	0	0	108.9
91	Q	51.6	Low	48	Very low	201 Å²	201	140.1 Å²	140.1	94%	0.939	78%	0.783	S	S	*	*			trans	-177.2	121.3	139.6	-108.8	-169.3	-9.8	0	0	113
92	D	47.4	Very low	48.2	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	79%	0.786	S	S	*	*			trans	-72.6	149.9	178.6	-69.6	-53.5	0	0	0	114.7
93	N	51	Low	48.4	Very low	170 Å²	170	140.5 Å²	140.5	91%	0.909	79%	0.787	S	S	*	*				179.1	119.1	125.4	-90.2	-19.9	0	0	0	112.3
94	S	44.9	Very low	48.9	Very low	105 Å²	105	146.1 Å²	146.1	73%	0.734	80%	0.803	S	S	*	*			trans	-86.8	147.6	174	65.3	0	0	0	0	112.3
95	N	57.5	Low	48.7	Very low	172 Å²	172	141.2 Å²	141.2	92%	0.92	80%	0.798	S	S	*	*			trans	-154.7	120.6	147.8	-86.3	-31.9	0	0	0	109
96	G	46	Very low	48.9	Very low	76 Å²	76	141 Å²	141	78%	0.784	79%	0.791	S	S	*	*			trans	-110.8	-167.7	174.7	0	0	0	0	0	112.8
97	S	53.4	Low	48.7	Very low	106 Å²	106	143.3 Å²	143.3	74%	0.741	80%	0.797	S	S	*	*			trans	101.9	98	171	-158.1	0	0	0	0	114.6
98	I	50.3	Low	48.6	Very low	144 Å²	144	141.6 Å²	141.6	74%	0.738	79%	0.793	S	S	*	*				93.3	117.2	81.5	-71.9	158.3	0	0	0	113.1
99	D	44.6	Very low	48.8	Very low	135 Å²	135	140.8 Å²	140.8	72%	0.722	79%	0.786	S	S	*	*			trans	29.5	134.6	142.3	-50.7	-28.9	0	0	0	122.4
100	T	52.8	Low	48.6	Very low	141 Å²	141	142.8 Å²	142.8	87%	0.865	79%	0.792	S	S	*	*				176	150.2	110.7	33	0	0	0	0	113.3
101	N	41.7	Very low	48.7	Very low	159 Å²	159	143.1 Å²	143.1	85%	0.85	79%	0.794	S	S	*	*			trans	-60.7	156.4	-174.4	-59.9	-74.7	0	0	0	116.5
102	S	52.1	Low	48.4	Very low	124 Å²	124	140.2 Å²	140.2	87%	0.867	79%	0.785	S	S	*	*			trans	-156.7	126.9	143.9	-165	0	0	0	0	112.4
103	D	47.8	Very low	48.6	Very low	148 Å²	148	142.1 Å²	142.1	79%	0.791	79%	0.789	S	S	*	*			trans	-65.5	149.9	-179.3	-60.7	-73	0	0	0	115.7
104	K	59.8	Low	48	Very low	190 Å²	190	136.9 Å²	136.9	83%	0.826	78%	0.776	S	S	*	*			trans	-169.9	123.6	140.5	-158.6	172.5	-172	-178.6	0	113.4
105	P	45	Very low	47.8	Very low	117 Å²	117	138.2 Å²	138.2	76%	0.76	78%	0.782	S	S	*	*			trans	-136	130.2	150.4	34.9	-19.8	0	0	0	113.1
106	T	48.6	Very low	47.2	Very low	112 Å²	112	136.9 Å²	136.9	69%	0.687	78%	0.78	S	S	*	*			trans	-159.4	118.7	166.2	53.7	0	0	0	0	113.1
107	N	44.8	Very low	47.1	Very low	149 Å²	149	141.8 Å²	141.8	80%	0.797	78%	0.783	S	S	*	*			trans	156	106.6	141.7	-97.3	-73.9	0	0	0	107.5
108	L	47.9	Very low	46.6	Very low	146 Å²	146	142.8 Å²	142.8	76%	0.764	78%	0.784	S	S	*	*				45.6	125.9	62.3	-59.3	175.3	0	0	0	110.4
109	K	46	Very low	46.4	Very low	171 Å²	171	143.5 Å²	143.5	74%	0.743	79%	0.789	S	S	*	*			cis	-179.1	169.4	12.8	-142.9	178.3	171.1	-175.3	0	106.1
110	N	46.1	Very low	46.8	Very low	128 Å²	128	145.4 Å²	145.4	68%	0.684	79%	0.793	S	S	*	*			trans	79.5	144.1	157.2	-50.7	-10.8	0	0	0	116.6
111	E	44	Very low	46.4	Very low	169 Å²	169	145.6 Å²	145.6	79%	0.79	79%	0.789	S	S	*	*			cis	-171.9	139.8	-12.4	-169.2	168	137.7	0	0	105.4
112	D	45.8	Very low	47	Very low	139 Å²	139	144 Å²	144	74%	0.743	79%	0.785	S	S	*	*			trans	10.1	132.1	149.5	-160.2	31.4	0	0	0	120.6
113	Q	50.8	Low	47.1	Very low	183 Å²	183	145.3 Å²	145.3	86%	0.855	78%	0.781	S	S	*	*			trans	177.5	131.6	130.6	-80.3	-110.7	11.3	0	0	110.5
114	G	37.1	Very low	47.4	Very low	61 Å²	61	145.7 Å²	145.7	63%	0.629	78%	0.782	S	S	*	*			trans	-78	-174.2	-171	0	0	0	0	0	117
115	P	42.6	Very low	46.7	Very low	133 Å²	133	141.4 Å²	141.4	86%	0.864	78%	0.776	S	S	*	*			trans	-91.7	151.3	-159.7	36.1	-32.6	0	0	0	113
116	T	44.5	Very low	47.3	Very low	143 Å²	143	142.4 Å²	142.4	88%	0.877	78%	0.78	S	S	*	*			trans	-135.3	134.1	169.2	-34.8	0	0	0	0	110.9
117	E	44.3	Very low	47.8	Very low	180 Å²	180	142.7 Å²	142.7	84%	0.841	78%	0.781	S	S	*	*			trans	-72	144.4	-172.5	-52.9	171	164	0	0	111.7
118	T	41.3	Very low	48.4	Very low	126 Å²	126	142.7 Å²	142.7	77%	0.773	78%	0.782	S	S	*	*			trans	-153.4	108.3	150.9	-59	0	0	0	0	109.5	Q120	T118-Q120 HydrophobicContact CG2-CG 4.44Å
119	L	47.8	Very low	48.9	Very low	159 Å²	159	144 Å²	144	83%	0.832	79%	0.789	S	S	*	*			trans	-68.3	133.4	165.6	-68.5	161.6	0	0	0	109.6
120	Q	52	Low	49.4	Very low	176 Å²	176	142 Å²	142	82%	0.822	79%	0.792	S	S	*	*			trans	-144.3	108	150.1	-63.3	-167.7	28.8	0	0	109	T118	T118-Q120 HydrophobicContact CG2-CG 4.44Å
121	D	45.3	Very low	49.4	Very low	144 Å²	144	141.8 Å²	141.8	77%	0.77	80%	0.799	S	S	*	*			trans	-62.2	139	167.5	-73.5	-47.4	0	0	0	110.3
122	T	53.9	Low	49.6	Very low	125 Å²	125	138.8 Å²	138.8	77%	0.767	80%	0.796	S	S	*	*			trans	-141.3	98.7	158.6	-61.8	0	0	0	0	108.2
123	I	53.8	Low	50.2	Low	152 Å²	152	140.8 Å²	140.8	78%	0.779	80%	0.801	S	S	*	*			trans	-74.8	115.2	171.2	-63.2	169.4	0	0	0	107.1
124	L	54.5	Low	50.1	Low	157 Å²	157	142 Å²	142	82%	0.822	80%	0.804	S	S	*	*			trans	-95.6	100.9	163.6	-83.4	164.1	0	0	0	108.1
125	S	44.8	Very low	51.1	Low	100 Å²	100	145.4 Å²	145.4	70%	0.699	81%	0.813	S	S	*	*			trans	-76.4	125.7	165.1	-163.1	0	0	0	0	108.2
126	V	58.4	Low	51.9	Low	137 Å²	137	145 Å²	145	83%	0.83	81%	0.812	S	S	*	*			trans	-125.3	113.5	164.2	-148.4	0	0	0	0	106.4
127	T	58.4	Low	51.9	Low	118 Å²	118	145.1 Å²	145.1	72%	0.724	80%	0.803	S	S	*	*			trans	-74.2	152.9	-173.4	41.7	0	0	0	0	112.7
128	D	56.3	Low	52.8	Low	150 Å²	150	145.5 Å²	145.5	80%	0.802	81%	0.807	S	S	*	*			trans	-60.8	138.6	-176.7	-56.7	-67.4	0	0	0	115.3
129	D	60.1	Low	53.1	Low	173 Å²	173	145.1 Å²	145.1	93%	0.925	80%	0.8	S	S	*	*			trans	-98.3	109.8	161.1	-80.8	-41.4	0	0	0	109.6
130	T	55.6	Low	53.7	Low	130 Å²	130	145.2 Å²	145.2	80%	0.798	80%	0.8	S	S	*	*			trans	-90.1	112.7	173.2	-64.6	0	0	0	0	109.5
131	C	46.6	Very low	53.5	Low	123 Å²	123	144.9 Å²	144.9	83%	0.831	80%	0.798	S	S	*	*			trans	-96.6	116.1	172	-175.6	0	0	0	0	110.8
132	S	47	Very low	53.5	Low	106 Å²	106	144.7 Å²	144.7	74%	0.741	80%	0.797	S	S	*	*			trans	-68.5	135.5	177.8	-48.4	0	0	0	0	112.8
133	Q	58.4	Low	53	Low	180 Å²	180	143.6 Å²	143.6	84%	0.841	79%	0.791	S	S	*	*			trans	-113.5	118.3	156.7	-68.4	-153.4	13.2	0	0	110
134	K	50.4	Low	52.5	Low	210 Å²	210	143.3 Å²	143.3	91%	0.913	79%	0.791	S	S	*	*			trans	-68.3	125.2	164.9	-86.1	176.4	167.5	-177.1	0	108.6
135	T	57.9	Low	52.1	Low	132 Å²	132	140.2 Å²	140.2	81%	0.81	78%	0.782	S	S	*	*			trans	-120.3	117.1	157.5	58.9	0	0	0	0	107.9
136	S	58.3	Low	52.5	Low	123 Å²	123	143.4 Å²	143.4	86%	0.86	79%	0.786	S	S	*	*			trans	-74.9	125.8	175.6	47.9	0	0	0	0	110.7
137	H	45.5	Very low	52.1	Low	147 Å²	147	144.8 Å²	144.8	68%	0.681	78%	0.783	S	S	*	*			trans	-81.1	135.1	170.8	-160.7	-108.4	0	0	0	109.7	D139	H137-D139 IonicContact CE1-OD1 3.51Å; H137-D139 PolarHBondContact CE1-OD1 3.41Å; H137-D139 IonicContact CE1-OD2 3.43Å; H137-D139 PolarHBondContact CE1-OD2 3.43Å; H137-D139 VanDerWaalsContact ND1-CG 3.32Å; H137-D139 IonicContact ND1-OD1 2.8Å; H137-D139 PolarHBondContact ND1-OD1 3.47Å; H137-D139 IonicContact ND1-OD2 3.82Å; H137-D139 PolarHBondContact ND1-OD2 2.74Å
138	M	63.3	Low	51.7	Low	188 Å²	188	143.3 Å²	143.3	93%	0.926	78%	0.783	S	S	*	*			trans	-129.7	112.7	154.2	-93.3	-153.4	-81.8	0	0	108.2
139	D	47	Very low	51.5	Low	117 Å²	117	141.1 Å²	141.1	63%	0.626	78%	0.78	S	S	*	*			trans	-62.1	148.6	168	-61.1	-89.4	0	0	0	111.7	H137	H137-D139 IonicContact CE1-OD1 3.51Å; H137-D139 PolarHBondContact CE1-OD1 3.41Å; H137-D139 IonicContact CE1-OD2 3.43Å; H137-D139 PolarHBondContact CE1-OD2 3.43Å; H137-D139 VanDerWaalsContact ND1-CG 3.32Å; H137-D139 IonicContact ND1-OD1 2.8Å; H137-D139 PolarHBondContact ND1-OD1 3.47Å; H137-D139 IonicContact ND1-OD2 3.82Å; H137-D139 PolarHBondContact ND1-OD2 2.74Å
140	I	59.3	Low	51.3	Low	161 Å²	161	140.4 Å²	140.4	83%	0.826	78%	0.775	S	S	*	*			trans	-156	113.8	138.1	-88.5	136.9	0	0	0	108.3
141	E	49.3	Very low	51.1	Low	169 Å²	169	140.9 Å²	140.9	79%	0.79	77%	0.773	S	S	*	*			trans	-0.8	146.7	143.7	-55	175.9	160.6	0	0	116.4
142	N	44	Very low	51.6	Low	140 Å²	140	143.6 Å²	143.6	75%	0.749	77%	0.773	S	S	*	*				-174.6	158.2	54.5	-157.5	15.4	0	0	0	111.6
143	T	45.1	Very low	52	Low	103 Å²	103	142.3 Å²	142.3	63%	0.632	76%	0.764	S	S	*	*			trans	-74.5	169.3	-165	54.9	0	0	0	0	117.7
144	N	42.6	Very low	51.8	Low	146 Å²	146	140.4 Å²	140.4	78%	0.781	76%	0.76	S	S	*	*			trans	89.4	142.2	146.1	-88.2	-8.4	0	0	0	118.3
145	S	46.7	Very low	52.1	Low	92 Å²	92	137.3 Å²	137.3	64%	0.643	75%	0.753	S	S	*	*			cis	165.8	159.7	-18.2	-94.9	0	0	0	0	104.5
146	Q	51.8	Low	51.5	Low	167 Å²	167	139.2 Å²	139.2	78%	0.78	76%	0.757	S	S	*	*			trans	92.3	135	167.9	-58	-168.3	-54.2	0	0	117.1
147	E	49.8	Very low	51.1	Low	165 Å²	165	140.8 Å²	140.8	77%	0.771	75%	0.754	S	S	*	*			cis	175.7	163.4	-18.9	-114.7	164.6	-157.3	0	0	106.3
148	A	50.8	Low	51	Low	88 Å²	88	141.8 Å²	141.8	73%	0.727	76%	0.761	S	S	*	*			trans	82.4	100.2	161.5	0	0	0	0	0	117.6
149	S	51.1	Low	49.8	Very low	103 Å²	103	138.4 Å²	138.4	72%	0.72	76%	0.756	S	S	*	*				82	136.4	83.7	76.3	0	0	0	0	111.6
150	L	57.5	Low	49.8	Very low	159 Å²	159	138 Å²	138	83%	0.832	76%	0.762	S	S	*	*			cis	-155.2	133.8	34.8	-70.2	158.4	0	0	0	107.6
151	D	51.7	Low	49.2	Very low	140 Å²	140	138.2 Å²	138.2	75%	0.749	76%	0.759	S	S	*	*				60	102.6	97.6	-159.1	21.7	0	0	0	116.1
152	E	56.2	Low	48.8	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	76%	0.756	S	S	*	*			trans	-172.4	105.8	131.1	-122.3	174.9	127.3	0	0	111.8
153	S	56	Low	48.5	Very low	78 Å²	78	138.8 Å²	138.8	55%	0.545	76%	0.755	S	S	.	*				38.5	112.2	127	-44.5	0	0	0	0	120.3
154	N	54	Low	48.2	Very low	140 Å²	140	137.6 Å²	137.6	75%	0.749	75%	0.751	S	S	*	*				155.4	124.5	108.2	-75.9	-36.9	0	0	0	113.5
155	D	55.3	Low	48.1	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	75%	0.751	S	S	*	*			trans	66.1	115.2	138.3	-56.6	-30.3	0	0	0	122.6	I157	D155-I157 PolarHBondContact O-N 3.45Å
156	I	46	Very low	47.7	Very low	173 Å²	173	138.5 Å²	138.5	89%	0.887	76%	0.757	S	S	*	*			trans	-56.2	106.9	164.9	-63.1	161.2	0	0	0	110
157	I	49.7	Very low	47.4	Very low	156 Å²	156	137.6 Å²	137.6	80%	0.8	76%	0.757	S	S	*	*			trans	-138.3	129.4	152.5	-65.1	-173.7	0	0	0	109.1	D155	D155-I157 PolarHBondContact O-N 3.45Å
158	M	43.9	Very low	47.3	Very low	168 Å²	168	137.1 Å²	137.1	83%	0.828	76%	0.76	S	S	*	*			trans	-24.9	131.3	168.2	-68.3	166.3	52.2	0	0	114.7
159	S	38.6	Very low	46.9	Very low	117 Å²	117	140.2 Å²	140.2	82%	0.818	76%	0.764	S	S	*	*			trans	145.9	89.8	134.6	-63.9	0	0	0	0	110.2
160	S	47.1	Very low	46.7	Very low	107 Å²	107	140.4 Å²	140.4	75%	0.748	77%	0.765	S	S	*	*			trans	-107.9	139.1	153.6	37.9	0	0	0	0	107.9
161	E	45.9	Very low	46.4	Very low	166 Å²	166	138.6 Å²	138.6	78%	0.776	76%	0.76	S	S	*	*			cis	-166.6	126.5	-10.1	-112.6	158.2	144.3	0	0	100.6
162	Q	41.2	Very low	46.7	Very low	156 Å²	156	139 Å²	139	73%	0.729	76%	0.762	S	S	*	*				41.6	128.2	89.2	-69.3	-162.5	16.9	0	0	111.1
163	K	38.6	Very low	46.4	Very low	166 Å²	166	137.7 Å²	137.7	72%	0.722	76%	0.761	S	S	*	*			cis	178.7	148.2	38.8	-138	169	177	172.5	0	105.5
164	S	37	Very low	46.5	Very low	78 Å²	78	140.1 Å²	140.1	55%	0.545	77%	0.773	S	S	.	*			trans	32.2	120.5	139.9	60.4	0	0	0	0	116.4
165	N	41.7	Very low	46.3	Very low	145 Å²	145	139.6 Å²	139.6	78%	0.775	78%	0.775	S	S	*	*				-132.2	108.6	81.4	-66.3	-40.1	0	0	0	111.3	L167	N165-L167 PolarHBondContact O-N 2.79Å
166	S	38.1	Very low	46.1	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	78%	0.779	S	S	*	*			trans	-67.6	111.2	150.5	58.3	0	0	0	0	107
167	L	46.3	Very low	46.5	Very low	147 Å²	147	136.8 Å²	136.8	77%	0.77	77%	0.767	S	S	*	*			trans	-122.2	87.8	158.7	-91.7	154.7	0	0	0	105.8	N165 N169	N165-L167 PolarHBondContact O-N 2.79Å; L167-N169 PolarHBondContact O-N 3.5Å
168	D	47.7	Very low	46.7	Very low	155 Å²	155	138 Å²	138	83%	0.829	77%	0.769	S	S	*	*			trans	-62.2	125.4	164	-137.9	-13.9	0	0	0	107	S170	D168-S170 VanDerWaalsContact C-N 3.32Å; D168-S170 PolarHBondContact O-N 3.4Å
169	N	41.3	Very low	47.1	Very low	154 Å²	154	135.5 Å²	135.5	82%	0.824	77%	0.766	S	S	*	*			trans	-72.6	88.2	178.3	-71.9	-48.2	0	0	0	108.2	L167	L167-N169 PolarHBondContact O-N 3.5Å
170	S	47.5	Very low	47.6	Very low	107 Å²	107	137 Å²	137	75%	0.748	76%	0.763	S	S	*	*			trans	-92	103.4	166.2	-162.9	0	0	0	0	108.7	D168 D172	D168-S170 VanDerWaalsContact C-N 3.32Å; D168-S170 PolarHBondContact O-N 3.4Å; S170-D172 PolarHBondContact O-N 3.24Å
171	V	49.9	Very low	48.1	Very low	120 Å²	120	137.8 Å²	137.8	73%	0.727	77%	0.768	S	S	*	*			trans	-59.1	125.2	163.7	-168.9	0	0	0	0	107.2
172	D	58.7	Low	48.2	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	76%	0.764	S	S	*	*			trans	-160.9	117.7	149.4	-91.9	-34.5	0	0	0	110.2	S170	S170-D172 PolarHBondContact O-N 3.24Å
173	D	49.4	Very low	49.5	Very low	153 Å²	153	137.3 Å²	137.3	82%	0.818	77%	0.771	S	S	*	*			trans	-57.2	127.5	167.7	-74.9	-53.8	0	0	0	110.4
174	T	59.3	Low	50.1	Low	130 Å²	130	134.7 Å²	134.7	80%	0.798	77%	0.771	S	S	*	*			trans	-161.7	113.3	146.7	0.2	0	0	0	0	113.4
175	V	48.3	Very low	51.3	Low	128 Å²	128	140.3 Å²	140.3	78%	0.776	79%	0.789	S	S	*	*			trans	-40	128.4	160.7	179.7	0	0	0	0	112.5
176	I	53	Low	51.9	Low	168 Å²	168	139.6 Å²	139.6	86%	0.862	78%	0.783	S	S	*	*			trans	-155.2	138.6	143.5	-78	118.9	0	0	0	109.3
177	S	53.5	Low	53	Low	92 Å²	92	142.2 Å²	142.2	64%	0.643	79%	0.788	S	S	*	*			trans	-93.1	154.6	-160.8	-39.9	0	0	0	0	116
178	E	54.9	Low	53.5	Low	180 Å²	180	143 Å²	143	84%	0.841	79%	0.788	S	S	*	*			trans	64.8	163.8	142.2	-78	-172.2	-173.7	0	0	121.6
179	P	51.7	Low	53.9	Low	117 Å²	117	142.5 Å²	142.5	76%	0.76	79%	0.785	S	S	*	*			cis	-128.5	162	-1	26.6	-3.9	0	0	0	116.3
180	I	48.1	Very low	54.7	Low	147 Å²	147	141 Å²	141	75%	0.754	79%	0.787	S	S	*	*			trans	-62.7	137.9	173.6	-68.9	151.7	0	0	0	111.9	V182	I180-V182 HydrophobicContact CG2-CG2 3.52Å
181	S	57.3	Low	55.1	Low	124 Å²	124	141.4 Å²	141.4	87%	0.867	79%	0.785	S	S	*	*			trans	-114.3	103	165	-166.1	0	0	0	0	109.5
182	V	49.8	Very low	55.4	Low	114 Å²	114	142.7 Å²	142.7	69%	0.691	79%	0.786	S	S	*	*			trans	-86.2	133.4	173.5	-175.2	0	0	0	0	108.6	I180	I180-V182 HydrophobicContact CG2-CG2 3.52Å
183	K	67.7	Low	55.2	Low	199 Å²	199	141 Å²	141	87%	0.865	78%	0.782	S	S	*	*			trans	-127.1	127.6	156.1	-131.7	177.8	-177.5	-178.2	0	108.5
184	P	50.6	Low	55.1	Low	111 Å²	111	141.1 Å²	141.1	72%	0.721	78%	0.78	S	S	*	*			trans	-89.2	139.9	-175.3	35	-30.2	0	0	0	109.8
185	E	62.3	Low	55.1	Low	196 Å²	196	143 Å²	143	92%	0.916	78%	0.78	S	S	*	*			trans	-143.4	125.5	156	-154.5	157.7	-167.8	0	0	109
186	I	54.5	Low	55.2	Low	130 Å²	130	144.1 Å²	144.1	67%	0.667	78%	0.782	S	S	*	*			trans	-72.9	141.7	-172.7	-72	142	0	0	0	108.6	E188	I186-E188 HydrophobicContact CG2-CG 4.48Å
187	D	60.4	Low	55.6	Low	166 Å²	166	142.8 Å²	142.8	89%	0.888	78%	0.776	S	S	*	*			trans	-164	139.9	132.5	-86.9	-29.6	0	0	0	110.6
188	E	58.7	Low	55.6	Low	165 Å²	165	143 Å²	143	77%	0.771	78%	0.778	S	S	*	*			trans	-84.5	175.8	-160.6	-54.4	-163.7	155.6	0	0	113.7	I186	I186-E188 HydrophobicContact CG2-CG 4.48Å
189	D	55.5	Low	55.2	Low	143 Å²	143	142.5 Å²	142.5	77%	0.765	78%	0.779	S	S	*	*			trans	73.8	99.3	164.8	-73.8	-23.5	0	0	0	118.6
190	S	57.6	Low	55.5	Low	123 Å²	123	143.6 Å²	143.6	86%	0.86	78%	0.783	S	S	*	*				178.4	96.7	112.2	34.9	0	0	0	0	113.2
191	T	57	Low	55.5	Low	115 Å²	115	142.1 Å²	142.1	71%	0.706	78%	0.777	S	S	*	*			trans	-23.3	126.9	154.6	-58	0	0	0	0	117.8
192	I	54.7	Low	55.5	Low	147 Å²	147	144 Å²	144	75%	0.754	78%	0.778	S	S	*	*				45.3	130.6	129.1	-28.6	167	0	0	0	115.8
193	V	54.7	Low	55.5	Low	114 Å²	114	144.8 Å²	144.8	69%	0.691	78%	0.778	S	S	*	*				-173	133.1	73.7	-176.9	0	0	0	0	109.7	E195	V193-E195 HydrophobicContact CG1-CG 4.34Å
194	I	47.3	Very low	54.9	Low	154 Å²	154	142.6 Å²	142.6	79%	0.79	78%	0.775	S	S	*	*			trans	-99.2	117.1	163.7	-60.6	170.2	0	0	0	106.6
195	E	60.5	Low	54.9	Low	170 Å²	170	142.4 Å²	142.4	79%	0.794	78%	0.777	S	S	*	*			trans	-112.7	114.5	167.6	-104.3	176.7	167.2	0	0	109.2	V193	V193-E195 HydrophobicContact CG1-CG 4.34Å
196	N	49.2	Very low	54.7	Low	151 Å²	151	140.4 Å²	140.4	81%	0.807	77%	0.772	S	S	*	*			trans	-88.6	120.2	168.2	-72.5	-44.1	0	0	0	107.8
197	D	61.7	Low	54.6	Low	141 Å²	141	141 Å²	141	75%	0.754	78%	0.777	S	S	*	*			trans	-113.5	110.8	173.4	-109.7	-31.8	0	0	0	112.5
198	S	54.5	Low	54.6	Low	96 Å²	96	140 Å²	140	67%	0.671	77%	0.771	S	S	*	*				55.2	115	129.5	46.6	0	0	0	0	121.7
199	I	44.8	Very low	54.8	Low	169 Å²	169	138 Å²	138	87%	0.867	77%	0.766	S	S	*	*			trans	-67.7	130.5	162.1	-63.8	162.5	0	0	0	110.1
200	V	57.9	Low	55	Low	141 Å²	141	137.6 Å²	137.6	86%	0.855	76%	0.764	S	S	*	*			trans	-137.2	127.6	157.1	-179.1	0	0	0	0	111.9
201	N	49.3	Very low	55	Low	115 Å²	115	143.2 Å²	143.2	62%	0.615	77%	0.766	S	S	*	*			trans	-59	149.3	179.5	-165.9	26.2	0	0	0	114.7
202	N	56.4	Low	55.1	Low	165 Å²	165	145.2 Å²	145.2	88%	0.882	77%	0.773	S	S	*	*			trans	-150	112.4	152.9	-130.5	0.6	0	0	0	112.8
203	N	49.6	Very low	55.2	Low	130 Å²	130	141.4 Å²	141.4	70%	0.695	77%	0.769	S	S	*	*			trans	-69.3	146.3	171.8	-65.4	-43.5	0	0	0	110.9
204	N	55	Low	55.8	Low	152 Å²	152	142.8 Å²	142.8	81%	0.813	78%	0.778	S	S	*	*			trans	-157.8	119.1	136.1	-141.1	4.2	0	0	0	112.4
205	S	51.8	Low	56.1	Low	107 Å²	107	145 Å²	145	75%	0.748	81%	0.805	S	S	*	*			trans	-87.8	133.8	168.1	-69.9	0	0	0	0	109.1
206	N	58.6	Low	55.9	Low	154 Å²	154	143.8 Å²	143.8	82%	0.824	81%	0.805	S	S	*	*			trans	-121.8	112.6	160	-82.7	-19.8	0	0	0	108.7
207	N	52.5	Low	56.3	Low	144 Å²	144	143.4 Å²	143.4	77%	0.77	81%	0.805	S	S	*	*			trans	-66.3	169.7	157.8	-71.7	-48.4	0	0	0	110.2
208	N	60.1	Low	56	Low	143 Å²	143	143.5 Å²	143.5	77%	0.765	81%	0.808	S	S	*	*			trans	128.8	132.4	165.7	-67.9	-0.6	0	0	0	107.7
209	D	61.5	Low	56.1	Low	123 Å²	123	146.3 Å²	146.3	66%	0.658	82%	0.816	S	S	*	*			cis	-172.4	166.9	1.3	-105.2	-36.4	0	0	0	105.8
210	D	59.5	Low	56.8	Low	136 Å²	136	144.9 Å²	144.9	73%	0.727	81%	0.813	S	S	*	*			trans	79.5	88.8	152.6	-57.4	-26.6	0	0	0	120.3
211	R	58.3	Low	56.7	Low	241 Å²	241	145.1 Å²	145.1	91%	0.909	81%	0.81	S	S	*	*			trans	-60.6	130.2	138.9	-68.7	177.7	172.1	169.5	-2.1	109.7
212	N	59.9	Low	57.2	Low	157 Å²	157	147.3 Å²	147.3	84%	0.84	82%	0.824	S	S	*	*			trans	-155.5	136.3	156.8	-95.2	-32.1	0	0	0	111.8
213	G	55.7	Low	57.3	Low	66 Å²	66	145.9 Å²	145.9	68%	0.68	82%	0.82	S	S	*	*			trans	81.9	97.1	160.4	0	0	0	0	0	115.1
214	V	67.2	Low	57.9	Low	143 Å²	143	147.3 Å²	147.3	87%	0.867	83%	0.83	S	S	*	*				55.8	88.6	69.8	-170.9	0	0	0	0	112.1
215	C	55.3	Low	58.2	Low	201 Å²	201	146.8 Å²	146.8	100%	1.358	83%	0.831	S	S	*	*				175.7	0	120.7	-90	0	0	0	0	108.9

Retrieved 215 of 215 residues in 157.8 ms (Link to these results)

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