A0A087WW30_HUMAN Loading...

Nudix hydrolase 18

AlphaFold DB , UniProt , Accession A0A087WW30, Species HUMAN (Homo sapiens, Human), Gene NUDT18, Length 133 aa.

						>A0A087WW30_HUMAN|A0A087WW30|NUDT18
MASEGLAGALASVLAGQGSSVHSCDSAPAGEPPAPVRLRKNVCYVVLAVFLSEQDEVLLIQEAKRECRGSWYLPAGRMEPGETIVEALQREVKEEAGLHCEPETLLSVEERGPSWVRFVFLARPTGMAHLEAV
					

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	44.4	Very low	64.1	Low	250 Å²	250	108.2 Å²	108.2	100%	1.232	69%	0.689	S	S	*	*				0	98.5	0	-60.8	-153.7	-62.3	0	0	106.2
2	A	40.5	Very low	65.3	Low	93 Å²	93	102.8 Å²	102.8	77%	0.769	66%	0.656	S	S	*	*			trans	-124.6	147.8	-159.9	0	0	0	0	0	110.2
3	S	45.8	Very low	66.3	Low	111 Å²	111	101.2 Å²	101.2	78%	0.776	64%	0.644	S	S	*	*			trans	76.1	41.3	158.1	75.2	0	0	0	0	120.7
4	E	56.1	Low	67.2	Low	202 Å²	202	103.9 Å²	103.9	94%	0.944	65%	0.65	S	S	*	*			trans	-83	13.8	147.6	-76.3	-172.8	150.6	0	0	111.9
5	G	69.3	Low	68.2	Low	56 Å²	56	101.9 Å²	101.9	58%	0.577	65%	0.648	S	S	*	*	S	Bend	trans	-90.7	126.3	-177.4	0	0	0	0	0	112.2	A7	G5-A7 VanDerWaalsContact C-N 3.29Å; G5-A7 PolarHBondContact O-N 2.85Å
6	L	66.6	Low	68.4	Low	147 Å²	147	99.9 Å²	99.9	77%	0.77	65%	0.653	S	S	*	*	S	Bend	trans	70.2	-48.7	168.5	-153.4	75.1	0	0	0	117.6	A9 L10	L6-A9 PolarHBondContact O-N 3.44Å; L6-L10 WeakPolarHBondContact O-CB 3.38Å; L6-L10 PolarHBondContact O-N 2.69Å
7	A	75.4	Confident	68.9	Low	76 Å²	76	101.4 Å²	101.4	63%	0.628	65%	0.648	S	S	*	*	H	α-helix	trans	-66.5	-41.8	-175.6	0	0	0	0	0	112.6	G5 L10 A11	G5-A7 VanDerWaalsContact C-N 3.29Å; G5-A7 PolarHBondContact O-N 2.85Å; A7-L10 PolarHBondContact O-N 2.91Å; A7-A11 PolarHBondContact O-N 3.13Å; A7-A11 VanDerWaalsContact O-N 3.11Å
8	G	77	Confident	68.4	Low	44 Å²	44	99.9 Å²	99.9	45%	0.454	66%	0.656	S	S	.	*	H	α-helix	trans	-66.3	-41.9	174.8	0	0	0	0	0	112.5	L10 A11 S12	G8-L10 VanDerWaalsContact C-N 3.35Å; G8-L10 PolarHBondContact O-N 2.85Å; G8-A11 PolarHBondContact O-N 3.49Å; G8-S12 PolarHBondContact O-N 3.04Å; G8-S12 VanDerWaalsContact O-N 3.07Å
9	A	73.2	Confident	68.4	Low	47 Å²	47	98.8 Å²	98.8	39%	0.388	65%	0.65	S	S	.	*	H	α-helix	trans	-61.9	-41.9	176.7	0	0	0	0	0	112.1	L6 S12 V13	L6-A9 PolarHBondContact O-N 3.44Å; A9-S12 PolarHBondContact O-N 3.08Å; A9-V13 WeakPolarHBondContact O-CG2 3.35Å; A9-V13 PolarHBondContact O-N 3.35Å; A9-V13 VanDerWaalsContact O-N 3.17Å
10	L	76.3	Confident	68	Low	105 Å²	105	97.9 Å²	97.9	55%	0.55	65%	0.646	S	S	.	*	H	α-helix	trans	-64	-41.9	176.2	-179	62.5	0	0	0	111.9	L6 A7 G8 V13 L14	L6-L10 WeakPolarHBondContact O-CB 3.38Å; L6-L10 PolarHBondContact O-N 2.69Å; A7-L10 PolarHBondContact O-N 2.91Å; G8-L10 VanDerWaalsContact C-N 3.35Å; G8-L10 PolarHBondContact O-N 2.85Å; L10-V13 PolarHBondContact O-N 3.17Å; L10-L14 HydrophobicContact CD1-CD1 4.21Å; L10-L14 HydrophobicContact CD1-CG 4.29Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.1Å
11	A	81	Confident	67.6	Low	59 Å²	59	98.8 Å²	98.8	49%	0.488	65%	0.649	S	S	.	*	H	α-helix	trans	-62.3	-42	177.6	0	0	0	0	0	112.3	A7 G8 L14 A15	A7-A11 PolarHBondContact O-N 3.13Å; A7-A11 VanDerWaalsContact O-N 3.11Å; G8-A11 PolarHBondContact O-N 3.49Å; A11-L14 PolarHBondContact O-N 2.68Å; A11-A15 WeakPolarHBondContact O-CB 3.24Å; A11-A15 PolarHBondContact O-N 3.01Å
12	S	77.6	Confident	68.3	Low	43 Å²	43	94.9 Å²	94.9	30%	0.301	63%	0.627	S	S	.	*	H	α-helix	trans	-61.5	-45.3	175.5	-71.3	0	0	0	0	112.4	G8 A9 L14 A15 G16 Q17	G8-S12 PolarHBondContact O-N 3.04Å; G8-S12 VanDerWaalsContact O-N 3.07Å; A9-S12 PolarHBondContact O-N 3.08Å; S12-L14 PolarHBondContact O-N 3.2Å; S12-A15 PolarHBondContact O-N 3.12Å; S12-G16 PolarHBondContact O-N 3.15Å; S12-Q17 CarbonylContact C-O 3.6Å; S12-Q17 WeakPolarHBondContact O-CA 3.43Å; S12-Q17 WeakPolarHBondContact O-CB 3.35Å; S12-Q17 PolarHBondContact O-N 3.28Å; S12-Q17 PolarHBondContact OG-OE1 2.93Å
13	V	79.1	Confident	68.8	Low	82 Å²	82	94.9 Å²	94.9	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-61.1	-45.6	177.3	172.2	0	0	0	0	111.1	A9 L10 A15 G16	A9-V13 WeakPolarHBondContact O-CG2 3.35Å; A9-V13 PolarHBondContact O-N 3.35Å; A9-V13 VanDerWaalsContact O-N 3.17Å; L10-V13 PolarHBondContact O-N 3.17Å; V13-A15 VanDerWaalsContact C-N 3.26Å; V13-A15 PolarHBondContact O-N 2.94Å; V13-G16 PolarHBondContact O-N 3.41Å; V13-G16 VanDerWaalsContact O-N 3.11Å
14	L	78.4	Confident	69.2	Low	139 Å²	139	94.1 Å²	94.1	73%	0.728	62%	0.615	S	S	*	*	H	α-helix	trans	-67.9	-25.4	179.1	-68.7	175.4	0	0	0	113.2	L10 A11 S12 G16	L10-L14 HydrophobicContact CD1-CD1 4.21Å; L10-L14 HydrophobicContact CD1-CG 4.29Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 WeakPolarHBondContact O-CG 3.34Å; L10-L14 PolarHBondContact O-N 3.1Å; A11-L14 PolarHBondContact O-N 2.68Å; S12-L14 PolarHBondContact O-N 3.2Å; L14-G16 PolarHBondContact O-N 2.88Å
15	A	82.1	Confident	68.7	Low	75 Å²	75	92.7 Å²	92.7	62%	0.62	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	4.7	174.1	0	0	0	0	0	113.5	A11 S12 V13 Q17	A11-A15 WeakPolarHBondContact O-CB 3.24Å; A11-A15 PolarHBondContact O-N 3.01Å; S12-A15 PolarHBondContact O-N 3.12Å; V13-A15 VanDerWaalsContact C-N 3.26Å; V13-A15 PolarHBondContact O-N 2.94Å; A15-Q17 VanDerWaalsContact C-N 3.29Å; A15-Q17 PolarHBondContact O-N 3.19Å
16	G	72.5	Confident	68.1	Low	70 Å²	70	94.5 Å²	94.5	72%	0.722	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.6	12.5	-178.4	0	0	0	0	0	114	S12 V13 L14	S12-G16 PolarHBondContact O-N 3.15Å; V13-G16 PolarHBondContact O-N 3.41Å; V13-G16 VanDerWaalsContact O-N 3.11Å; L14-G16 PolarHBondContact O-N 2.88Å
17	Q	76.9	Confident	67.4	Low	124 Å²	124	90.2 Å²	90.2	58%	0.579	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-85.6	133.2	171.9	-56	-169.1	-55.4	0	0	109.5	S12 A15	S12-Q17 CarbonylContact C-O 3.6Å; S12-Q17 WeakPolarHBondContact O-CA 3.43Å; S12-Q17 WeakPolarHBondContact O-CB 3.35Å; S12-Q17 PolarHBondContact O-N 3.28Å; S12-Q17 PolarHBondContact OG-OE1 2.93Å; A15-Q17 VanDerWaalsContact C-N 3.29Å; A15-Q17 PolarHBondContact O-N 3.19Å
18	G	58.5	Low	66.3	Low	76 Å²	76	91.1 Å²	91.1	78%	0.784	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-64.3	145	174.1	0	0	0	0	0	111.5
19	S	69.5	Low	65.5	Low	78 Å²	78	94.3 Å²	94.3	55%	0.545	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-91.2	136.2	169.1	-163.8	0	0	0	0	109.3	V21	S19-V21 PolarHBondContact O-N 3.13Å; S19-V21 VanDerWaalsContact O-N 3.09Å
20	S	59.1	Low	65	Low	81 Å²	81	96 Å²	96	57%	0.566	65%	0.647	S	S	*	*			trans	-69.6	107.3	175.1	-169.2	0	0	0	0	109	H22	S20-H22 PolarHBondContact O-CD2 2.8Å; S20-H22 VanDerWaalsContact O-CD2 3.24Å; S20-H22 PolarHBondContact O-N 3.48Å; S20-H22 VanDerWaalsContact O-N 3.15Å; S20-H22 PolarHBondContact OG-CE1 3.4Å
21	V	59.7	Low	64.2	Low	117 Å²	117	98 Å²	98	71%	0.709	65%	0.654	S	S	*	*			trans	-77.2	100.4	176	-179.4	0	0	0	0	108	S19 S23	S19-V21 PolarHBondContact O-N 3.13Å; S19-V21 VanDerWaalsContact O-N 3.09Å; V21-S23 WeakPolarHBondContact CG1-O 3.34Å
22	H	59	Low	63.2	Low	167 Å²	167	100.8 Å²	100.8	77%	0.773	67%	0.667	S	S	*	*			trans	-83.9	-15.8	-179.8	-62	-65.6	0	0	0	113.6	S20	S20-H22 PolarHBondContact O-CD2 2.8Å; S20-H22 VanDerWaalsContact O-CD2 3.24Å; S20-H22 PolarHBondContact O-N 3.48Å; S20-H22 VanDerWaalsContact O-N 3.15Å; S20-H22 PolarHBondContact OG-CE1 3.4Å
23	S	52.9	Low	62.3	Low	93 Å²	93	103.6 Å²	103.6	65%	0.65	68%	0.684	S	S	*	*			trans	-151.6	130.4	177.7	58.6	0	0	0	0	109.4	V21	V21-S23 WeakPolarHBondContact CG1-O 3.34Å
24	C	53.2	Low	61.8	Low	96 Å²	96	103.6 Å²	103.6	65%	0.649	69%	0.693	S	S	*	*			trans	-90.2	138.5	161	41.5	0	0	0	0	108.3	S26	C24-S26 PolarHBondContact O-N 3.03Å
25	D	46.5	Very low	61.6	Low	172 Å²	172	101.6 Å²	101.6	92%	0.92	69%	0.688	S	S	*	*			trans	-70.5	50.1	171.6	-68.2	-42.2	0	0	0	111	A27	D25-A27 PolarHBondContact O-N 3.37Å
26	S	55.1	Low	61.5	Low	94 Å²	94	100.8 Å²	100.8	66%	0.657	68%	0.675	S	S	*	*			trans	-97.2	97.8	-179.9	-64.7	0	0	0	0	108.7	C24	C24-S26 PolarHBondContact O-N 3.03Å
27	A	51.9	Low	62.1	Low	56 Å²	56	108.6 Å²	108.6	46%	0.463	68%	0.683	S	S	.	*	S	Bend	trans	87.8	136	173.4	0	0	0	0	0	116.7	D25 A29	D25-A27 PolarHBondContact O-N 3.37Å; A27-A29 PolarHBondContact O-N 3.44Å
28	P	53.4	Low	62.5	Low	96 Å²	96	105 Å²	105	62%	0.623	67%	0.667	S	S	*	*			trans	-58.5	132.8	169.4	24.5	-31	0	0	0	109.6	G30	P28-G30 PolarHBondContact O-N 3.41Å; P28-G30 VanDerWaalsContact O-N 3.17Å
29	A	60.1	Low	64	Low	111 Å²	111	109.8 Å²	109.8	92%	0.917	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	121.1	-179.5	0	0	0	0	0	110.8	A27	A27-A29 PolarHBondContact O-N 3.44Å
30	G	62.1	Low	64.9	Low	83 Å²	83	116.3 Å²	116.3	86%	0.856	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	109.2	-4.5	170.6	0	0	0	0	0	116.5	P28	P28-G30 PolarHBondContact O-N 3.41Å; P28-G30 VanDerWaalsContact O-N 3.17Å
31	E	59.8	Low	66.5	Low	146 Å²	146	117.9 Å²	117.9	68%	0.682	68%	0.682	S	S	*	*	S	Bend	trans	-112.3	134.5	172.1	-71.4	-177.8	-176.2	0	0	110.9
32	P	58.9	Low	68.3	Low	118 Å²	118	113.1 Å²	113.1	77%	0.766	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-60.2	132.1	169.6	25.2	-30.5	0	0	0	108.2	A34	P32-A34 PolarHBondContact O-N 3.11Å; P32-A34 VanDerWaalsContact O-N 3.13Å
33	P	60	Low	70	Confident	102 Å²	102	106.7 Å²	106.7	66%	0.662	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-56.4	124.9	-179.5	18.3	-27.8	0	0	0	109.3
34	A	67.9	Low	72.2	Confident	82 Å²	82	104.3 Å²	104.3	68%	0.678	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-58	146.5	173.7	0	0	0	0	0	109.4	P32 V36	P32-A34 PolarHBondContact O-N 3.11Å; P32-A34 VanDerWaalsContact O-N 3.13Å; A34-V36 PolarHBondContact O-N 3.5Å
35	P	73.4	Confident	74.3	Confident	96 Å²	96	100.6 Å²	100.6	62%	0.623	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-52.8	134.6	178.1	-26.3	33.3	0	0	0	111.5	R37	P35-R37 PolarHBondContact O-N 3.21Å
36	V	81.2	Confident	76.8	Confident	58 Å²	58	92.4 Å²	92.4	35%	0.352	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-62.4	132.1	179.1	178.8	0	0	0	0	109.2	A34 L38 T83	A34-V36 PolarHBondContact O-N 3.5Å; V36-L38 HydrophobicContact CG1-CD2 4.27Å; V36-T83 HydrophobicContact CG2-CG2 4.09Å
37	R	84.8	Confident	78.9	Confident	235 Å²	235	88.1 Å²	88.1	89%	0.887	50%	0.504	S	S	*	.			trans	-101.1	115	179.6	-64.4	-175.2	-176.1	-173.6	2.3	110.3	P35	P35-R37 PolarHBondContact O-N 3.21Å
38	L	85.9	Confident	81.1	Confident	47 Å²	47	85.5 Å²	85.5	25%	0.246	48%	0.482	C	S	.	.			trans	-87.4	139.8	170.6	-53.6	-177.2	0	0	0	110.3	V36 Y44 M78	V36-L38 HydrophobicContact CG1-CD2 4.27Å; L38-Y44 HydrophobicContact CB-CD2 4.14Å; L38-Y44 HydrophobicContact CB-CE2 4Å; L38-Y44 HydrophobicContact CD1-CD2 4.35Å; L38-Y44 HydrophobicContact CD2-CD2 3.74Å; L38-Y44 HydrophobicContact CD2-CE2 4Å; L38-Y44 HydrophobicContact CD2-CG 4.17Å; L38-Y44 HydrophobicContact CG-CD2 4.29Å; L38-M78 HydrophobicContact CD1-CB 3.89Å; L38-M78 HydrophobicContact CD2-CE 4Å; L38-M78 HydrophobicContact CD2-SD 4.39Å
39	R	89	Confident	83.2	Confident	178 Å²	178	82.4 Å²	82.4	67%	0.672	46%	0.461	S	S	*	.			trans	-69.2	133.6	168.6	-69.3	-174	179.7	-176.7	1.5	109.3	N41 V42	R39-N41 PolarHBondContact O-N 2.98Å; R39-N41 VanDerWaalsContact O-N 3.1Å; R39-V42 HydrophobicContact CB-CB 4.19Å; R39-V42 HydrophobicContact CB-CG2 3.88Å; R39-V42 PolarHBondContact O-N 3.37Å
40	K	89.2	Confident	85	Confident	215 Å²	215	77.8 Å²	77.8	94%	0.935	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.3	-178	-65.9	-176.2	178.3	-179.2	0	113.9
41	N	93.4	Very high	86.5	Confident	114 Å²	114	78.3 Å²	78.3	61%	0.61	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	17.9	-175.9	66.8	-33.5	0	0	0	113.5	R39 S114	R39-N41 PolarHBondContact O-N 2.98Å; R39-N41 VanDerWaalsContact O-N 3.1Å; N41-S114 WeakPolarHBondContact O-CB 3.26Å; N41-S114 PolarHBondContact O-OG 3.09Å
42	V	95.6	Very high	88	Confident	16 Å²	16	73.3 Å²	73.3	10%	0.097	39%	0.385	C	S	.	.			trans	-127.2	132.8	174.1	-176.7	0	0	0	0	108.6	R39 Y44 V116	R39-V42 HydrophobicContact CB-CB 4.19Å; R39-V42 HydrophobicContact CB-CG2 3.88Å; R39-V42 PolarHBondContact O-N 3.37Å; V42-Y44 HydrophobicContact CB-CD2 4.35Å; V42-Y44 HydrophobicContact CB-CE2 3.59Å; V42-Y44 HydrophobicContact CG1-CD1 4.31Å; V42-Y44 HydrophobicContact CG1-CD2 4.12Å; V42-Y44 HydrophobicContact CG1-CE1 3.83Å; V42-Y44 HydrophobicContact CG1-CE2 3.61Å; V42-Y44 HydrophobicContact CG1-CG 4.45Å; V42-Y44 VanDerWaalsContact CG1-CZ 3.45Å; V42-V116 HydrophobicContact CG1-CG2 4.4Å
43	C	96.6	Very high	89.4	Confident	33 Å²	33	77 Å²	77	22%	0.223	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.5	171.4	-169.9	0	0	0	0	108.8	S114 W115 V116	C43-S114 PolarHBondContact N-O 3.34Å; C43-W115 WeakPolarHBondContact O-CA 3.31Å; C43-V116 PolarHBondContact O-N 3.21Å
44	Y	97.9	Very high	91	Very high	43 Å²	43	78.2 Å²	78.2	17%	0.169	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.5	175.9	-58.1	-91.8	0	0	0	108.2	L38 V42 R77 M78 V116 F118	L38-Y44 HydrophobicContact CB-CD2 4.14Å; L38-Y44 HydrophobicContact CB-CE2 4Å; L38-Y44 HydrophobicContact CD1-CD2 4.35Å; L38-Y44 HydrophobicContact CD2-CD2 3.74Å; L38-Y44 HydrophobicContact CD2-CE2 4Å; L38-Y44 HydrophobicContact CD2-CG 4.17Å; L38-Y44 HydrophobicContact CG-CD2 4.29Å; V42-Y44 HydrophobicContact CB-CD2 4.35Å; V42-Y44 HydrophobicContact CB-CE2 3.59Å; V42-Y44 HydrophobicContact CG1-CD1 4.31Å; V42-Y44 HydrophobicContact CG1-CD2 4.12Å; V42-Y44 HydrophobicContact CG1-CE1 3.83Å; V42-Y44 HydrophobicContact CG1-CE2 3.61Å; V42-Y44 HydrophobicContact CG1-CG 4.45Å; V42-Y44 VanDerWaalsContact CG1-CZ 3.45Å; Y44-R77 WeakPolarHBondContact O-CA 3.48Å; Y44-M78 HydrophobicContact CG-SD 4.43Å; Y44-M78 PolarHBondContact O-N 3.48Å; Y44-V116 CarbonylContact C-O 3.54Å; Y44-V116 WeakPolarHBondContact CA-O 3.43Å; Y44-V116 HydrophobicContact CD1-CB 4.34Å; Y44-F118 HydrophobicContact CD1-CE2 4.04Å; Y44-F118 HydrophobicContact CD1-CZ 4.42Å
45	V	98.3	Very high	92.2	Very high	17 Å²	17	80.4 Å²	80.4	10%	0.103	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.2	-176	179.3	0	0	0	0	109	G76 W115 V116 R117 F118	V45-G76 CarbonylContact C-O 3.57Å; V45-G76 WeakPolarHBondContact CA-O 3.14Å; V45-G76 WeakPolarHBondContact CG1-O 3.45Å; V45-W115 HydrophobicContact CB-CZ2 4.25Å; V45-W115 HydrophobicContact CG1-CZ2 4.48Å; V45-W115 HydrophobicContact CG2-CZ2 3.9Å; V45-V116 PolarHBondContact N-O 3.01Å; V45-R117 HydrophobicContact CB-CB 4.06Å; V45-R117 HydrophobicContact CB-CG 4.12Å; V45-R117 HydrophobicContact CG1-CB 4.43Å; V45-R117 HydrophobicContact CG1-CG 3.99Å; V45-R117 CarbonylContact O-C 3.6Å; V45-R117 VanDerWaalsContact O-CA 3.27Å; V45-R117 WeakPolarHBondContact O-CA 3.45Å; V45-F118 PolarHBondContact O-N 2.95Å
46	V	98.5	Very high	93.1	Very high	0 Å²	0	82.1 Å²	82.1	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	146.9	168.4	-67.1	0	0	0	0	109.1	A75 G76 M78 I84 A87 L88 E91 F118	V46-A75 WeakPolarHBondContact O-CA 3.27Å; V46-A75 WeakPolarHBondContact O-CB 3.47Å; V46-G76 PolarHBondContact N-O 3.4Å; V46-G76 PolarHBondContact O-N 3.47Å; V46-G76 VanDerWaalsContact O-N 3.12Å; V46-M78 HydrophobicContact CG1-CG 4.15Å; V46-I84 HydrophobicContact CG1-CG2 3.82Å; V46-A87 HydrophobicContact CG1-CB 4.1Å; V46-A87 HydrophobicContact CG2-CB 4.09Å; V46-L88 HydrophobicContact CB-CB 4.38Å; V46-L88 HydrophobicContact CB-CD1 4.15Å; V46-L88 HydrophobicContact CG2-CB 4.49Å; V46-E91 HydrophobicContact CG2-CG 4.01Å; V46-F118 CarbonylContact C-O 3.51Å; V46-F118 WeakPolarHBondContact CA-O 3.05Å
47	L	98.6	Very high	93.8	Very high	5 Å²	5	83 Å²	83	3%	0.026	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.3	174.1	-176.3	152.1	0	0	0	108.8	V49 Y72 L73 P74 A75 R117 F118 V119 F120	L47-V49 HydrophobicContact CD2-CG2 3.85Å; L47-Y72 HydrophobicContact CD1-CE1 4.09Å; L47-L73 HydrophobicContact CD1-CB 4.17Å; L47-L73 HydrophobicContact CD1-CD1 4.32Å; L47-L73 HydrophobicContact CD2-CB 3.93Å; L47-L73 HydrophobicContact CD2-CD1 3.64Å; L47-L73 HydrophobicContact CD2-CG 4.38Å; L47-L73 HydrophobicContact CG-CB 4.01Å; L47-L73 HydrophobicContact CG-CD1 4.42Å; L47-P74 WeakPolarHBondContact CA-O 3.42Å; L47-A75 HydrophobicContact CB-CB 4.02Å; L47-A75 HydrophobicContact CD1-CB 4.15Å; L47-A75 HydrophobicContact CG-CB 4.01Å; L47-R117 HydrophobicContact CB-CG 4.3Å; L47-F118 PolarHBondContact N-O 2.87Å; L47-V119 HydrophobicContact CB-CG2 4.4Å; L47-V119 HydrophobicContact CD2-CG1 3.79Å; L47-V119 WeakPolarHBondContact O-CA 3.46Å; L47-F120 PolarHBondContact O-N 2.75Å
48	A	98.4	Very high	94.3	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.8	177.5	0	0	0	0	0	111.1	F50 P74 L88 V92 A122	A48-F50 HydrophobicContact CB-CD2 4.16Å; A48-F50 HydrophobicContact CB-CE2 3.55Å; A48-F50 HydrophobicContact CB-CZ 4.36Å; A48-P74 HydrophobicContact CB-CB 4.32Å; A48-P74 PolarHBondContact N-O 3.02Å; A48-L88 HydrophobicContact CB-CD1 3.7Å; A48-V92 HydrophobicContact CB-CG2 3.55Å; A48-A122 HydrophobicContact CB-CB 4.44Å
49	V	98.1	Very high	94.8	Very high	31 Å²	31	75.2 Å²	75.2	19%	0.188	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	122.7	165.6	-179.2	0	0	0	0	107.3	L47 L73 L106 V119 F120 L121 A122	L47-V49 HydrophobicContact CD2-CG2 3.85Å; V49-L73 HydrophobicContact CG2-CD1 4.25Å; V49-L106 HydrophobicContact CB-CD1 4.08Å; V49-L106 HydrophobicContact CG1-CD1 4.46Å; V49-L106 HydrophobicContact CG2-CD1 4.08Å; V49-V119 HydrophobicContact CG2-CG1 3.85Å; V49-F120 PolarHBondContact N-O 3.38Å; V49-L121 WeakPolarHBondContact O-CA 3.35Å; V49-A122 PolarHBondContact O-N 2.71Å
50	F	97.1	Very high	95.2	Very high	14 Å²	14	67.4 Å²	67.4	6%	0.061	34%	0.341	C	S	.	.			trans	-109.8	130.6	166.6	-65.2	-97.2	0	0	0	107.7	A48 V57 L58 V92 C100 A122	A48-F50 HydrophobicContact CB-CD2 4.16Å; A48-F50 HydrophobicContact CB-CE2 3.55Å; A48-F50 HydrophobicContact CB-CZ 4.36Å; F50-V57 WeakPolarHBondContact O-CA 3.32Å; F50-L58 HydrophobicContact CB-CB 3.77Å; F50-L58 HydrophobicContact CD2-CB 4.03Å; F50-L58 HydrophobicContact CD2-CD2 3.57Å; F50-L58 HydrophobicContact CD2-CG 4.4Å; F50-L58 HydrophobicContact CE2-CD2 3.85Å; F50-L58 HydrophobicContact CG-CB 4.14Å; F50-L58 HydrophobicContact CG-CD2 4.07Å; F50-V92 HydrophobicContact CE2-CG1 4.05Å; F50-V92 HydrophobicContact CE2-CG2 3.85Å; F50-V92 HydrophobicContact CZ-CG1 3.77Å; F50-V92 HydrophobicContact CZ-CG2 4.01Å; F50-C100 HydrophobicContact CE1-CB 3.75Å; F50-C100 HydrophobicContact CZ-CB 3.59Å; F50-A122 HydrophobicContact CD1-CB 4.23Å; F50-A122 WeakPolarHBondContact CD1-O 3.35Å; F50-A122 HydrophobicContact CE1-CB 3.69Å; F50-A122 HydrophobicContact CE2-CB 4.08Å; F50-A122 HydrophobicContact CZ-CB 3.58Å
51	L	94.6	Very high	95.4	Very high	95 Å²	95	62.6 Å²	62.6	50%	0.497	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-126.2	115.4	172.1	-175.4	62.7	0	0	0	107.7	E56 V57	L51-E56 WeakPolarHBondContact CA-O 3.43Å; L51-V57 HydrophobicContact CD1-CG2 4.08Å
52	S	90.5	Very high	95.2	Very high	41 Å²	41	58.4 Å²	58.4	29%	0.287	30%	0.299	S	S	.	.			trans	-75.8	165.6	179.1	76.2	0	0	0	0	111.3	Q54 D55 E56	S52-Q54 PolarHBondContact O-N 2.83Å; S52-Q54 VanDerWaalsContact O-N 3.12Å; S52-Q54 PolarHBondContact OG-N 2.87Å; S52-Q54 PolarHBondContact OG-OE1 2.88Å; S52-D55 PolarHBondContact O-N 2.78Å; S52-E56 PolarHBondContact N-O 3.25Å; S52-E56 WeakPolarHBondContact OG-CB 3.4Å; S52-E56 PolarHBondContact OG-N 2.95Å; S52-E56 VanDerWaalsContact OG-N 3.13Å
53	E	88.7	Confident	94.6	Very high	194 Å²	194	61.7 Å²	61.7	91%	0.907	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-16	171.4	-64.2	-173.2	161.7	0	0	112.7	D55	E53-D55 VanDerWaalsContact C-N 3.33Å
54	Q	94.3	Very high	93.9	Very high	128 Å²	128	65.1 Å²	65.1	60%	0.598	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	9.1	176.2	-63.3	71.4	39.6	0	0	112.8	S52 E56	S52-Q54 PolarHBondContact O-N 2.83Å; S52-Q54 VanDerWaalsContact O-N 3.12Å; S52-Q54 PolarHBondContact OG-N 2.87Å; S52-Q54 PolarHBondContact OG-OE1 2.88Å; Q54-E56 VanDerWaalsContact C-N 3.27Å; Q54-E56 HydrophobicContact CB-CG 4.12Å; Q54-E56 PolarHBondContact O-N 3.28Å
55	D	91.8	Very high	93.2	Very high	129 Å²	129	73.2 Å²	73.2	69%	0.69	37%	0.369	S	S	*	.	S	Bend	trans	63.7	29.6	-177.5	-156.4	42.2	0	0	0	113.3	S52 E53	S52-D55 PolarHBondContact O-N 2.78Å; E53-D55 VanDerWaalsContact C-N 3.33Å
56	E	93.6	Very high	92.6	Very high	131 Å²	131	79.5 Å²	79.5	61%	0.612	40%	0.397	S	S	*	.			trans	-98.4	146.3	177.3	-56.3	178.4	138.4	0	0	111.2	L51 S52 Q54	L51-E56 WeakPolarHBondContact CA-O 3.43Å; S52-E56 PolarHBondContact N-O 3.25Å; S52-E56 WeakPolarHBondContact OG-CB 3.4Å; S52-E56 PolarHBondContact OG-N 2.95Å; S52-E56 VanDerWaalsContact OG-N 3.13Å; Q54-E56 VanDerWaalsContact C-N 3.27Å; Q54-E56 HydrophobicContact CB-CG 4.12Å; Q54-E56 PolarHBondContact O-N 3.28Å
57	V	95.5	Very high	91.8	Very high	76 Å²	76	81.5 Å²	81.5	46%	0.461	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-112.1	131.1	-179.2	179.2	0	0	0	0	110.5	F50 L51 L59 L73	F50-V57 WeakPolarHBondContact O-CA 3.32Å; L51-V57 HydrophobicContact CD1-CG2 4.08Å; V57-L59 HydrophobicContact CG1-CD2 4.34Å; V57-L59 HydrophobicContact CG1-CG 4.45Å; V57-L59 PolarHBondContact O-N 2.81Å; V57-L73 HydrophobicContact CG1-CD2 3.7Å
58	L	95.5	Very high	91.3	Very high	43 Å²	43	91 Å²	91	23%	0.225	45%	0.446	C	S	.	.			trans	-71.1	123.9	171	-179	65.9	0	0	0	110.2	F50 L73 P74 A96 L98	F50-L58 HydrophobicContact CB-CB 3.77Å; F50-L58 HydrophobicContact CD2-CB 4.03Å; F50-L58 HydrophobicContact CD2-CD2 3.57Å; F50-L58 HydrophobicContact CD2-CG 4.4Å; F50-L58 HydrophobicContact CE2-CD2 3.85Å; F50-L58 HydrophobicContact CG-CB 4.14Å; F50-L58 HydrophobicContact CG-CD2 4.07Å; L58-L73 WeakPolarHBondContact O-CD2 3.38Å; L58-P74 HydrophobicContact CD2-CG 4.07Å; L58-P74 HydrophobicContact CG-CG 4.41Å; L58-A96 HydrophobicContact CD2-CB 4Å; L58-L98 HydrophobicContact CD1-CD1 4.49Å; L58-L98 HydrophobicContact CD2-CD1 3.65Å
59	L	96.7	Very high	90.8	Very high	77 Å²	77	92.7 Å²	92.7	40%	0.403	46%	0.464	S	S	.	.			trans	-123.7	151.5	172.4	-61.6	166.8	0	0	0	109.4	V57 W71 Y72 L73	V57-L59 HydrophobicContact CG1-CD2 4.34Å; V57-L59 HydrophobicContact CG1-CG 4.45Å; V57-L59 PolarHBondContact O-N 2.81Å; L59-W71 HydrophobicContact CB-CD2 4.48Å; L59-W71 HydrophobicContact CB-CE3 3.6Å; L59-W71 HydrophobicContact CB-CZ3 4.19Å; L59-Y72 CarbonylContact C-O 3.5Å; L59-Y72 VanDerWaalsContact CA-O 3.32Å; L59-Y72 WeakPolarHBondContact CA-O 3.48Å; L59-L73 HydrophobicContact CD2-CD2 3.9Å; L59-L73 HydrophobicContact CD2-CG 4.26Å
60	I	95.6	Very high	90.6	Very high	14 Å²	14	93.8 Å²	93.8	7%	0.072	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	147.9	170.5	59.7	84.8	0	0	0	109.1	E62 W71 Y72 P74 E95 A96	I60-E62 HydrophobicContact CD1-CG 4.05Å; I60-W71 VanDerWaalsContact C-CE3 3.43Å; I60-W71 WeakPolarHBondContact O-CA 3.21Å; I60-Y72 PolarHBondContact N-O 3.11Å; I60-Y72 PolarHBondContact O-N 2.96Å; I60-P74 HydrophobicContact CG2-CG 4.03Å; I60-E95 HydrophobicContact CB-CB 4.44Å; I60-E95 HydrophobicContact CG1-CB 4.37Å; I60-E95 HydrophobicContact CG2-CB 4Å; I60-A96 HydrophobicContact CG2-CB 4.01Å
61	Q	93.3	Very high	90.5	Very high	114 Å²	114	100.6 Å²	100.6	53%	0.533	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	118	172.8	-167.2	176.1	42.3	0	0	109.3	A63 G69 S70 W71	Q61-A63 PolarHBondContact O-N 2.89Å; Q61-G69 PolarHBondContact NE2-O 2.97Å; Q61-G69 VanDerWaalsContact NE2-O 3.08Å; Q61-S70 CarbonylContact C-O 3.6Å; Q61-S70 WeakPolarHBondContact CA-O 3.26Å; Q61-W71 HydrophobicContact CB-CD2 4.17Å; Q61-W71 HydrophobicContact CB-CE3 4.09Å; Q61-W71 HydrophobicContact CB-CH2 4.16Å; Q61-W71 HydrophobicContact CB-CZ2 4.2Å; Q61-W71 HydrophobicContact CB-CZ3 4.1Å; Q61-W71 HydrophobicContact CG-CD2 4.5Å
62	E	89.3	Confident	90.6	Very high	26 Å²	26	100.6 Å²	100.6	12%	0.121	49%	0.492	C	S	.	.			trans	-63.2	129	-174.8	-77.1	-84.2	-155.9	0	0	111.8	I60 K64 C67 R68 G69 S70	I60-E62 HydrophobicContact CD1-CG 4.05Å; E62-K64 IonicContact OE2-NZ 3.68Å; E62-C67 HydrophobicContact CB-CB 4.39Å; E62-C67 WeakPolarHBondContact CB-O 3.47Å; E62-R68 WeakPolarHBondContact O-CA 3.28Å; E62-G69 PolarHBondContact O-N 3.12Å; E62-S70 PolarHBondContact N-O 3.02Å
63	A	84.3	Confident	90.9	Very high	85 Å²	85	100.5 Å²	100.5	70%	0.702	49%	0.488	S	S	*	.			trans	-94.5	-15.9	174.7	0	0	0	0	0	113	Q61	Q61-A63 PolarHBondContact O-N 2.89Å
64	K	80.9	Confident	91.4	Very high	105 Å²	105	91.3 Å²	91.3	46%	0.457	45%	0.445	S	S	.	.	S	Bend	trans	-61.4	138	-180	-70.5	169.7	-170.3	137.9	0	110.4	E62 E66 C67 R68	E62-K64 IonicContact OE2-NZ 3.68Å; K64-E66 PolarHBondContact O-N 2.78Å; K64-E66 VanDerWaalsContact O-N 3.13Å; K64-C67 CarbonylContact O-C 3.58Å; K64-C67 PolarHBondContact O-N 2.88Å; K64-R68 VanDerWaalsContact O-CA 3.24Å; K64-R68 WeakPolarHBondContact O-CA 3.34Å; K64-R68 WeakPolarHBondContact O-CB 3.41Å; K64-R68 PolarHBondContact O-N 2.85Å
65	R	83.1	Confident	91.5	Very high	213 Å²	213	85.9 Å²	85.9	80%	0.804	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.7	-169.2	-171.4	178.3	65.8	153.5	2.5	112.8
66	E	85.6	Confident	91.8	Very high	149 Å²	149	80.3 Å²	80.3	70%	0.696	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.9	-175.2	-61.2	66.4	-142	0	0	112.7	K64	K64-E66 PolarHBondContact O-N 2.78Å; K64-E66 VanDerWaalsContact O-N 3.13Å
67	C	82.9	Confident	91.9	Very high	42 Å²	42	81.1 Å²	81.1	28%	0.284	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	21.5	-176.5	52.4	0	0	0	0	112.5	E62 K64 G69 S70	E62-C67 HydrophobicContact CB-CB 4.39Å; E62-C67 WeakPolarHBondContact CB-O 3.47Å; K64-C67 CarbonylContact O-C 3.58Å; K64-C67 PolarHBondContact O-N 2.88Å; C67-G69 PolarHBondContact O-N 2.9Å; C67-S70 WeakPolarHBondContact O-CB 3.49Å; C67-S70 PolarHBondContact O-N 2.93Å; C67-S70 PolarHBondContact O-OG 3.26Å
68	R	87.4	Confident	92.1	Very high	203 Å²	203	77.8 Å²	77.8	77%	0.766	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	127.8	-171	-169.6	174.4	179.6	169.6	1.9	111.6	E62 K64 S70	E62-R68 WeakPolarHBondContact O-CA 3.28Å; K64-R68 VanDerWaalsContact O-CA 3.24Å; K64-R68 WeakPolarHBondContact O-CA 3.34Å; K64-R68 WeakPolarHBondContact O-CB 3.41Å; K64-R68 PolarHBondContact O-N 2.85Å; R68-S70 VanDerWaalsContact C-N 3.29Å; R68-S70 PolarHBondContact O-N 3.33Å
69	G	88	Confident	92.1	Very high	36 Å²	36	80.8 Å²	80.8	37%	0.371	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-6.2	178.4	0	0	0	0	0	114.9	Q61 E62 C67	Q61-G69 PolarHBondContact NE2-O 2.97Å; Q61-G69 VanDerWaalsContact NE2-O 3.08Å; E62-G69 PolarHBondContact O-N 3.12Å; C67-G69 PolarHBondContact O-N 2.9Å
70	S	94.1	Very high	91.9	Very high	54 Å²	54	83 Å²	83	38%	0.378	40%	0.404	S	S	.	.			trans	-74.8	156.6	167.9	70.3	0	0	0	0	111	Q61 E62 C67 R68	Q61-S70 CarbonylContact C-O 3.6Å; Q61-S70 WeakPolarHBondContact CA-O 3.26Å; E62-S70 PolarHBondContact N-O 3.02Å; C67-S70 WeakPolarHBondContact O-CB 3.49Å; C67-S70 PolarHBondContact O-N 2.93Å; C67-S70 PolarHBondContact O-OG 3.26Å; R68-S70 VanDerWaalsContact C-N 3.29Å; R68-S70 PolarHBondContact O-N 3.33Å
71	W	95.2	Very high	91.6	Very high	157 Å²	157	84.4 Å²	84.4	60%	0.595	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	137.9	176.4	-71.1	92.4	0	0	0	110.4	L59 I60 Q61	L59-W71 HydrophobicContact CB-CD2 4.48Å; L59-W71 HydrophobicContact CB-CE3 3.6Å; L59-W71 HydrophobicContact CB-CZ3 4.19Å; I60-W71 VanDerWaalsContact C-CE3 3.43Å; I60-W71 WeakPolarHBondContact O-CA 3.21Å; Q61-W71 HydrophobicContact CB-CD2 4.17Å; Q61-W71 HydrophobicContact CB-CE3 4.09Å; Q61-W71 HydrophobicContact CB-CH2 4.16Å; Q61-W71 HydrophobicContact CB-CZ2 4.2Å; Q61-W71 HydrophobicContact CB-CZ3 4.1Å; Q61-W71 HydrophobicContact CG-CD2 4.5Å
72	Y	96.4	Very high	91.6	Very high	96 Å²	96	80 Å²	80	38%	0.376	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	171.7	176.7	-152.2	-119	0	0	0	111.4	L47 L59 I60 A75 R117	L47-Y72 HydrophobicContact CD1-CE1 4.09Å; L59-Y72 CarbonylContact C-O 3.5Å; L59-Y72 VanDerWaalsContact CA-O 3.32Å; L59-Y72 WeakPolarHBondContact CA-O 3.48Å; I60-Y72 PolarHBondContact N-O 3.11Å; I60-Y72 PolarHBondContact O-N 2.96Å; Y72-A75 HydrophobicContact CD1-CB 4.47Å; Y72-A75 HydrophobicContact CE1-CB 4.31Å; Y72-R117 PolarHBondContact OH-NH1 2.72Å
73	L	97.4	Very high	91.9	Very high	39 Å²	39	81.1 Å²	81.1	20%	0.204	41%	0.41	C	S	.	.			trans	-80.2	149.5	171	-67.2	165	0	0	0	109.3	L47 V49 V57 L58 L59 A75	L47-L73 HydrophobicContact CD1-CB 4.17Å; L47-L73 HydrophobicContact CD1-CD1 4.32Å; L47-L73 HydrophobicContact CD2-CB 3.93Å; L47-L73 HydrophobicContact CD2-CD1 3.64Å; L47-L73 HydrophobicContact CD2-CG 4.38Å; L47-L73 HydrophobicContact CG-CB 4.01Å; L47-L73 HydrophobicContact CG-CD1 4.42Å; V49-L73 HydrophobicContact CG2-CD1 4.25Å; V57-L73 HydrophobicContact CG1-CD2 3.7Å; L58-L73 WeakPolarHBondContact O-CD2 3.38Å; L59-L73 HydrophobicContact CD2-CD2 3.9Å; L59-L73 HydrophobicContact CD2-CG 4.26Å; L73-A75 PolarHBondContact O-N 3.26Å; L73-A75 VanDerWaalsContact O-N 3.15Å
74	P	97.8	Very high	92.4	Very high	1 Å²	1	79.8 Å²	79.8	1%	0.006	39%	0.39	C	S	.	.	S	Bend	trans	-55.2	121.3	174.7	-21.4	29.9	0	0	0	110.8	L47 A48 L58 I60 V92 E95	L47-P74 WeakPolarHBondContact CA-O 3.42Å; A48-P74 HydrophobicContact CB-CB 4.32Å; A48-P74 PolarHBondContact N-O 3.02Å; L58-P74 HydrophobicContact CD2-CG 4.07Å; L58-P74 HydrophobicContact CG-CG 4.41Å; I60-P74 HydrophobicContact CG2-CG 4.03Å; P74-V92 HydrophobicContact CB-CG2 4Å; P74-E95 VanDerWaalsContact CA-OE2 3.23Å; P74-E95 WeakPolarHBondContact CA-OE2 3.29Å
75	A	97.4	Very high	93.2	Very high	13 Å²	13	77.1 Å²	77.1	11%	0.107	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	139.3	-172.4	0	0	0	0	0	112.7	V46 L47 Y72 L73 E95	V46-A75 WeakPolarHBondContact O-CA 3.27Å; V46-A75 WeakPolarHBondContact O-CB 3.47Å; L47-A75 HydrophobicContact CB-CB 4.02Å; L47-A75 HydrophobicContact CD1-CB 4.15Å; L47-A75 HydrophobicContact CG-CB 4.01Å; Y72-A75 HydrophobicContact CD1-CB 4.47Å; Y72-A75 HydrophobicContact CE1-CB 4.31Å; L73-A75 PolarHBondContact O-N 3.26Å; L73-A75 VanDerWaalsContact O-N 3.15Å; A75-E95 PolarHBondContact N-OE2 3.3Å
76	G	96.8	Very high	93.8	Very high	12 Å²	12	71.5 Å²	71.5	12%	0.124	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	-174	173.2	0	0	0	0	0	114	V45 V46 E91	V45-G76 CarbonylContact C-O 3.57Å; V45-G76 WeakPolarHBondContact CA-O 3.14Å; V45-G76 WeakPolarHBondContact CG1-O 3.45Å; V46-G76 PolarHBondContact N-O 3.4Å; V46-G76 PolarHBondContact O-N 3.47Å; V46-G76 VanDerWaalsContact O-N 3.12Å; G76-E91 WeakPolarHBondContact CA-OE1 3.44Å
77	R	97.4	Very high	94.4	Very high	148 Å²	148	64.4 Å²	64.4	56%	0.558	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	139	-170.2	-174.2	-176	174.4	175.9	2.8	109	Y44 R90 E91	Y44-R77 WeakPolarHBondContact O-CA 3.48Å; R77-R90 PolarHBondContact O-NH2 3.17Å; R77-E91 PolarHBondContact N-OE1 3.38Å
78	M	97.9	Very high	95.2	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.03	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.1	136.9	168.5	-63.2	-178.2	64.3	0	0	111.6	L38 Y44 V46 E82 I84 A87 F118	L38-M78 HydrophobicContact CD1-CB 3.89Å; L38-M78 HydrophobicContact CD2-CE 4Å; L38-M78 HydrophobicContact CD2-SD 4.39Å; Y44-M78 HydrophobicContact CG-SD 4.43Å; Y44-M78 PolarHBondContact O-N 3.48Å; V46-M78 HydrophobicContact CG1-CG 4.15Å; M78-E82 VanDerWaalsContact CA-OE1 3.29Å; M78-E82 WeakPolarHBondContact CA-OE1 3.44Å; M78-I84 HydrophobicContact CE-CB 4.19Å; M78-I84 HydrophobicContact CE-CG1 3.59Å; M78-I84 HydrophobicContact SD-CB 4.4Å; M78-I84 HydrophobicContact SD-CG1 3.81Å; M78-A87 HydrophobicContact CB-CB 4.37Å; M78-A87 HydrophobicContact CG-CB 3.78Å; M78-F118 HydrophobicContact SD-CE2 4.44Å
79	E	95.6	Very high	95.7	Very high	107 Å²	107	55.4 Å²	55.4	50%	0.5	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-89.4	156.7	171.8	-61.4	-166.8	158.2	0	0	111.8	G81 E82	E79-G81 PolarHBondContact O-N 3.43Å; E79-E82 HydrophobicContact CB-CG 4.23Å; E79-E82 PolarHBondContact N-OE1 2.91Å; E79-E82 WeakPolarHBondContact O-CG 3.34Å
80	P	92.9	Very high	96.1	Very high	122 Å²	122	55.6 Å²	55.6	79%	0.792	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	127.9	173.7	-20.9	33.8	0	0	0	111.9
81	G	90.3	Very high	96.3	Very high	44 Å²	44	54 Å²	54	45%	0.454	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.6	-15.4	172.4	0	0	0	0	0	114.8	E79	E79-G81 PolarHBondContact O-N 3.43Å
82	E	93.1	Very high	96.4	Very high	22 Å²	22	46.5 Å²	46.5	10%	0.103	24%	0.243	C	C	.	.			trans	-86.7	151.8	170	68.5	-177.8	-175.3	0	0	111.7	M78 E79 E86 A87 R90	M78-E82 VanDerWaalsContact CA-OE1 3.29Å; M78-E82 WeakPolarHBondContact CA-OE1 3.44Å; E79-E82 HydrophobicContact CB-CG 4.23Å; E79-E82 PolarHBondContact N-OE1 2.91Å; E79-E82 WeakPolarHBondContact O-CG 3.34Å; E82-E86 WeakPolarHBondContact CA-OE2 3.23Å; E82-E86 HydrophobicContact CB-CB 3.99Å; E82-A87 VanDerWaalsContact CD-CB 3.48Å; E82-A87 HydrophobicContact CG-CB 4.09Å; E82-A87 WeakPolarHBondContact OE1-CA 3.4Å; E82-A87 WeakPolarHBondContact OE1-CB 3.42Å; E82-R90 IonicContact OE1-CZ 3.1Å; E82-R90 IonicContact OE1-NE 3.2Å; E82-R90 IonicContact OE1-NH2 2.68Å; E82-R90 PolarHBondContact OE1-NH2 2.99Å; E82-R90 IonicContact OE2-CZ 3.91Å; E82-R90 IonicContact OE2-NE 3.97Å; E82-R90 PolarHBondContact OE2-NE 3.08Å; E82-R90 IonicContact OE2-NH2 3.26Å; E82-R90 PolarHBondContact OE2-NH2 3.01Å
83	T	94.8	Very high	96.4	Very high	50 Å²	50	47.3 Å²	47.3	31%	0.307	25%	0.248	S	C	.	.			trans	-73.9	164.8	167.4	68.2	0	0	0	0	110.9	V36 V85 E86 A87	V36-T83 HydrophobicContact CG2-CG2 4.09Å; T83-V85 PolarHBondContact O-N 2.88Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.46Å; T83-E86 PolarHBondContact N-OE2 2.82Å; T83-E86 PolarHBondContact O-N 3.07Å; T83-E86 WeakPolarHBondContact OG1-CB 3.45Å; T83-E86 VanDerWaalsContact OG1-CG 3.23Å; T83-E86 WeakPolarHBondContact OG1-CG 3.21Å; T83-E86 PolarHBondContact OG1-N 3.44Å; T83-E86 VanDerWaalsContact OG1-N 3.09Å; T83-E86 PolarHBondContact OG1-OE2 3.18Å; T83-E86 VanDerWaalsContact OG1-OE2 3.13Å; T83-A87 PolarHBondContact O-N 2.86Å
84	I	96.2	Very high	96.3	Very high	56 Å²	56	51.8 Å²	51.8	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-37	176.2	-57.9	170.7	0	0	0	110.9	V46 M78 L88 F118 F120	V46-I84 HydrophobicContact CG1-CG2 3.82Å; M78-I84 HydrophobicContact CE-CB 4.19Å; M78-I84 HydrophobicContact CE-CG1 3.59Å; M78-I84 HydrophobicContact SD-CB 4.4Å; M78-I84 HydrophobicContact SD-CG1 3.81Å; I84-L88 PolarHBondContact O-N 2.97Å; I84-L88 VanDerWaalsContact O-N 3.12Å; I84-F118 HydrophobicContact CD1-CD2 4.48Å; I84-F118 HydrophobicContact CD1-CE1 4.33Å; I84-F118 HydrophobicContact CD1-CE2 4.15Å; I84-F118 HydrophobicContact CD1-CZ 4.08Å; I84-F118 HydrophobicContact CG2-CB 4.29Å; I84-F118 HydrophobicContact CG2-CD2 4.09Å; I84-F118 HydrophobicContact CG2-CG 4.18Å; I84-F120 HydrophobicContact CG2-CE2 3.58Å; I84-F120 HydrophobicContact CG2-CZ 3.73Å
85	V	96.6	Very high	96.2	Very high	49 Å²	49	54.4 Å²	54.4	30%	0.297	28%	0.28	S	S	.	.	H	α-helix	trans	-74.2	-41.5	-180	177.5	0	0	0	0	111.4	T83 A87 L88 Q89 P102	T83-V85 PolarHBondContact O-N 2.88Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 2.84Å; V85-L88 WeakPolarHBondContact O-CB 3.37Å; V85-L88 PolarHBondContact O-N 2.91Å; V85-Q89 HydrophobicContact CG1-CG 4.39Å; V85-Q89 WeakPolarHBondContact O-CG 3.43Å; V85-Q89 PolarHBondContact O-N 3.17Å; V85-P102 HydrophobicContact CG1-CG 3.79Å; V85-P102 HydrophobicContact CG2-CG 4.07Å
86	E	96.9	Very high	96.1	Very high	96 Å²	96	55.4 Å²	55.4	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-41.8	174.1	-74.8	165.7	159.1	0	0	111.2	E82 T83 L88 Q89 R90	E82-E86 WeakPolarHBondContact CA-OE2 3.23Å; E82-E86 HydrophobicContact CB-CB 3.99Å; T83-E86 WeakPolarHBondContact CG2-OE2 3.46Å; T83-E86 PolarHBondContact N-OE2 2.82Å; T83-E86 PolarHBondContact O-N 3.07Å; T83-E86 WeakPolarHBondContact OG1-CB 3.45Å; T83-E86 VanDerWaalsContact OG1-CG 3.23Å; T83-E86 WeakPolarHBondContact OG1-CG 3.21Å; T83-E86 PolarHBondContact OG1-N 3.44Å; T83-E86 VanDerWaalsContact OG1-N 3.09Å; T83-E86 PolarHBondContact OG1-OE2 3.18Å; T83-E86 VanDerWaalsContact OG1-OE2 3.13Å; E86-L88 PolarHBondContact O-N 2.91Å; E86-Q89 PolarHBondContact O-N 3.49Å; E86-R90 WeakPolarHBondContact O-CB 3.46Å; E86-R90 PolarHBondContact O-N 3.34Å
87	A	97.9	Very high	96	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.5	-47.6	173.7	0	0	0	0	0	111.9	V46 M78 E82 T83 V85 Q89 R90 E91	V46-A87 HydrophobicContact CG1-CB 4.1Å; V46-A87 HydrophobicContact CG2-CB 4.09Å; M78-A87 HydrophobicContact CB-CB 4.37Å; M78-A87 HydrophobicContact CG-CB 3.78Å; E82-A87 VanDerWaalsContact CD-CB 3.48Å; E82-A87 HydrophobicContact CG-CB 4.09Å; E82-A87 WeakPolarHBondContact OE1-CA 3.4Å; E82-A87 WeakPolarHBondContact OE1-CB 3.42Å; T83-A87 PolarHBondContact O-N 2.86Å; V85-A87 VanDerWaalsContact C-N 3.29Å; V85-A87 PolarHBondContact O-N 2.84Å; A87-Q89 VanDerWaalsContact C-N 3.34Å; A87-Q89 PolarHBondContact O-N 2.96Å; A87-R90 PolarHBondContact O-N 2.78Å; A87-E91 VanDerWaalsContact O-CG 3.28Å; A87-E91 WeakPolarHBondContact O-CG 3.42Å; A87-E91 PolarHBondContact O-N 3.42Å
88	L	98.4	Very high	95.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-46.9	178.4	-176.7	76.4	0	0	0	111.2	V46 A48 I84 V85 E86 V92 P102 F120	V46-L88 HydrophobicContact CB-CB 4.38Å; V46-L88 HydrophobicContact CB-CD1 4.15Å; V46-L88 HydrophobicContact CG2-CB 4.49Å; A48-L88 HydrophobicContact CB-CD1 3.7Å; I84-L88 PolarHBondContact O-N 2.97Å; I84-L88 VanDerWaalsContact O-N 3.12Å; V85-L88 WeakPolarHBondContact O-CB 3.37Å; V85-L88 PolarHBondContact O-N 2.91Å; E86-L88 PolarHBondContact O-N 2.91Å; L88-V92 VanDerWaalsContact O-CG2 3.28Å; L88-V92 WeakPolarHBondContact O-CG2 3.33Å; L88-V92 PolarHBondContact O-N 3.12Å; L88-V92 VanDerWaalsContact O-N 3.08Å; L88-P102 HydrophobicContact CD2-CB 3.99Å; L88-F120 HydrophobicContact CD1-CB 4.18Å; L88-F120 HydrophobicContact CD1-CD2 4.05Å; L88-F120 HydrophobicContact CD1-CG 4.46Å; L88-F120 HydrophobicContact CD2-CB 3.67Å; L88-F120 HydrophobicContact CD2-CD1 4.46Å; L88-F120 HydrophobicContact CD2-CD2 3.96Å; L88-F120 HydrophobicContact CD2-CG 3.78Å
89	Q	97.9	Very high	95.8	Very high	54 Å²	54	56.3 Å²	56.3	25%	0.252	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-40.2	-179.8	-70.3	174.7	-30.8	0	0	112.3	V85 E86 A87 K93 C100 E101	V85-Q89 HydrophobicContact CG1-CG 4.39Å; V85-Q89 WeakPolarHBondContact O-CG 3.43Å; V85-Q89 PolarHBondContact O-N 3.17Å; E86-Q89 PolarHBondContact O-N 3.49Å; A87-Q89 VanDerWaalsContact C-N 3.34Å; A87-Q89 PolarHBondContact O-N 2.96Å; Q89-K93 VanDerWaalsContact O-CB 3.26Å; Q89-K93 WeakPolarHBondContact O-CB 3.35Å; Q89-K93 PolarHBondContact O-N 3.16Å; Q89-C100 WeakPolarHBondContact CG-O 3.34Å; Q89-C100 PolarHBondContact NE2-O 3.49Å; Q89-E101 PolarHBondContact NE2-OE1 3.37Å; Q89-E101 PolarHBondContact NE2-OE2 3.45Å
90	R	98.1	Very high	95.9	Very high	40 Å²	40	51.3 Å²	51.3	15%	0.151	29%	0.289	C	S	.	.	H	α-helix	trans	-61.8	-52.5	176.3	178.5	-179.9	53.7	66.1	4.6	111.2	R77 E82 E86 A87 V92 K93 E94	R77-R90 PolarHBondContact O-NH2 3.17Å; E82-R90 IonicContact OE1-CZ 3.1Å; E82-R90 IonicContact OE1-NE 3.2Å; E82-R90 IonicContact OE1-NH2 2.68Å; E82-R90 PolarHBondContact OE1-NH2 2.99Å; E82-R90 IonicContact OE2-CZ 3.91Å; E82-R90 IonicContact OE2-NE 3.97Å; E82-R90 PolarHBondContact OE2-NE 3.08Å; E82-R90 IonicContact OE2-NH2 3.26Å; E82-R90 PolarHBondContact OE2-NH2 3.01Å; E86-R90 WeakPolarHBondContact O-CB 3.46Å; E86-R90 PolarHBondContact O-N 3.34Å; A87-R90 PolarHBondContact O-N 2.78Å; R90-V92 PolarHBondContact O-N 2.77Å; R90-K93 PolarHBondContact O-N 3.03Å; R90-K93 VanDerWaalsContact O-N 3.16Å; R90-E94 HydrophobicContact CG-CG 4.36Å; R90-E94 WeakPolarHBondContact CG-OE1 3.43Å; R90-E94 IonicContact NH1-OE2 3.9Å; R90-E94 WeakPolarHBondContact O-CB 3.37Å; R90-E94 WeakPolarHBondContact O-CG 3.43Å; R90-E94 PolarHBondContact O-N 3.44Å
91	E	97.9	Very high	96	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.093	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-45.7	-179.1	-66.5	-68.7	169.1	0	0	111.7	V46 G76 R77 A87 K93 E94 E95	V46-E91 HydrophobicContact CG2-CG 4.01Å; G76-E91 WeakPolarHBondContact CA-OE1 3.44Å; R77-E91 PolarHBondContact N-OE1 3.38Å; A87-E91 VanDerWaalsContact O-CG 3.28Å; A87-E91 WeakPolarHBondContact O-CG 3.42Å; A87-E91 PolarHBondContact O-N 3.42Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.49Å; E91-E94 PolarHBondContact O-N 3Å; E91-E95 WeakPolarHBondContact O-CB 3.27Å; E91-E95 WeakPolarHBondContact O-CG 3.42Å; E91-E95 PolarHBondContact O-N 3.48Å
92	V	97.4	Very high	96.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-41	176.1	170.8	0	0	0	0	111.5	A48 F50 P74 L88 R90 A96 G97 L98 C100	A48-V92 HydrophobicContact CB-CG2 3.55Å; F50-V92 HydrophobicContact CE2-CG1 4.05Å; F50-V92 HydrophobicContact CE2-CG2 3.85Å; F50-V92 HydrophobicContact CZ-CG1 3.77Å; F50-V92 HydrophobicContact CZ-CG2 4.01Å; P74-V92 HydrophobicContact CB-CG2 4Å; L88-V92 VanDerWaalsContact O-CG2 3.28Å; L88-V92 WeakPolarHBondContact O-CG2 3.33Å; L88-V92 PolarHBondContact O-N 3.12Å; L88-V92 VanDerWaalsContact O-N 3.08Å; R90-V92 PolarHBondContact O-N 2.77Å; V92-A96 WeakPolarHBondContact O-CA 3.29Å; V92-A96 WeakPolarHBondContact O-CB 3.47Å; V92-A96 PolarHBondContact O-N 3.35Å; V92-G97 PolarHBondContact O-N 3.36Å; V92-L98 HydrophobicContact CG1-CB 3.97Å; V92-C100 HydrophobicContact CG1-CB 4.25Å
93	K	96.8	Very high	96.3	Very high	114 Å²	114	53 Å²	53	50%	0.496	28%	0.277	S	S	.	.	H	α-helix	trans	-68.1	-41.2	178.9	-175.2	175.3	-177.5	162.2	0	112.3	Q89 R90 E91 G97 L98 H99	Q89-K93 VanDerWaalsContact O-CB 3.26Å; Q89-K93 WeakPolarHBondContact O-CB 3.35Å; Q89-K93 PolarHBondContact O-N 3.16Å; R90-K93 PolarHBondContact O-N 3.03Å; R90-K93 VanDerWaalsContact O-N 3.16Å; E91-K93 VanDerWaalsContact C-N 3.3Å; E91-K93 PolarHBondContact O-N 3.49Å; K93-G97 WeakPolarHBondContact O-CA 3.28Å; K93-G97 PolarHBondContact O-N 2.88Å; K93-L98 VanDerWaalsContact CA-O 3.31Å; K93-L98 WeakPolarHBondContact CA-O 3.44Å; K93-L98 PolarHBondContact N-O 3.46Å; K93-H99 WeakPolarHBondContact CE-NE2 3.2Å; K93-H99 PolarHBondContact NZ-NE2 2.84Å
94	E	95.3	Very high	96.1	Very high	132 Å²	132	54.1 Å²	54.1	62%	0.617	28%	0.284	S	S	*	.	H	α-helix	trans	-70	-41.9	-179.3	-73.4	176.3	-171.9	0	0	112.2	R90 E91	R90-E94 HydrophobicContact CG-CG 4.36Å; R90-E94 WeakPolarHBondContact CG-OE1 3.43Å; R90-E94 IonicContact NH1-OE2 3.9Å; R90-E94 WeakPolarHBondContact O-CB 3.37Å; R90-E94 WeakPolarHBondContact O-CG 3.43Å; R90-E94 PolarHBondContact O-N 3.44Å; E91-E94 PolarHBondContact O-N 3Å
95	E	95.4	Very high	96.2	Very high	57 Å²	57	55 Å²	55	27%	0.266	29%	0.289	S	S	.	.	H	α-helix	trans	-90.3	-32.2	-173.5	-60.8	-171.1	142.1	0	0	113.5	I60 P74 A75 E91	I60-E95 HydrophobicContact CB-CB 4.44Å; I60-E95 HydrophobicContact CG1-CB 4.37Å; I60-E95 HydrophobicContact CG2-CB 4Å; P74-E95 VanDerWaalsContact CA-OE2 3.23Å; P74-E95 WeakPolarHBondContact CA-OE2 3.29Å; A75-E95 PolarHBondContact N-OE2 3.3Å; E91-E95 WeakPolarHBondContact O-CB 3.27Å; E91-E95 WeakPolarHBondContact O-CG 3.42Å; E91-E95 PolarHBondContact O-N 3.48Å
96	A	94.7	Very high	95.9	Very high	33 Å²	33	57.2 Å²	57.2	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-120.7	-7.2	-175.7	0	0	0	0	0	114.4	L58 I60 V92 L98	L58-A96 HydrophobicContact CD2-CB 4Å; I60-A96 HydrophobicContact CG2-CB 4.01Å; V92-A96 WeakPolarHBondContact O-CA 3.29Å; V92-A96 WeakPolarHBondContact O-CB 3.47Å; V92-A96 PolarHBondContact O-N 3.35Å; A96-L98 HydrophobicContact CB-CD1 4.49Å; A96-L98 HydrophobicContact CB-CG 4.33Å; A96-L98 PolarHBondContact O-N 2.95Å
97	G	94.9	Very high	95.7	Very high	59 Å²	59	54.9 Å²	54.9	61%	0.608	29%	0.293	S	S	*	.			trans	72.1	8.5	179.9	0	0	0	0	0	115	V92 K93	V92-G97 PolarHBondContact O-N 3.36Å; K93-G97 WeakPolarHBondContact O-CA 3.28Å; K93-G97 PolarHBondContact O-N 2.88Å
98	L	94.6	Very high	95.7	Very high	21 Å²	21	58.4 Å²	58.4	11%	0.11	31%	0.314	C	S	.	.			trans	-96.6	146.7	-176.9	-57.7	178.6	0	0	0	111.3	L58 V92 K93 A96 A128	L58-L98 HydrophobicContact CD1-CD1 4.49Å; L58-L98 HydrophobicContact CD2-CD1 3.65Å; V92-L98 HydrophobicContact CG1-CB 3.97Å; K93-L98 VanDerWaalsContact CA-O 3.31Å; K93-L98 WeakPolarHBondContact CA-O 3.44Å; K93-L98 PolarHBondContact N-O 3.46Å; A96-L98 HydrophobicContact CB-CD1 4.49Å; A96-L98 HydrophobicContact CB-CG 4.33Å; A96-L98 PolarHBondContact O-N 2.95Å; L98-A128 HydrophobicContact CD2-CB 3.42Å; L98-A128 VanDerWaalsContact CD2-CB 3.42Å
99	H	96.5	Very high	95.6	Very high	105 Å²	105	60.9 Å²	60.9	49%	0.486	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	148.8	156.6	-56.7	121.4	0	0	0	108.6	K93 P124 T125	K93-H99 WeakPolarHBondContact CE-NE2 3.2Å; K93-H99 PolarHBondContact NZ-NE2 2.84Å; H99-P124 WeakPolarHBondContact O-CA 3.39Å; H99-T125 WeakPolarHBondContact CB-O 3.23Å; H99-T125 PolarHBondContact O-N 3.31Å
100	C	96.6	Very high	95.5	Very high	2 Å²	2	66 Å²	66	1%	0.014	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	163.2	-179.5	66.9	0	0	0	0	112.4	F50 Q89 V92 A122 R123 T125	F50-C100 HydrophobicContact CE1-CB 3.75Å; F50-C100 HydrophobicContact CZ-CB 3.59Å; Q89-C100 WeakPolarHBondContact CG-O 3.34Å; Q89-C100 PolarHBondContact NE2-O 3.49Å; V92-C100 HydrophobicContact CG1-CB 4.25Å; C100-A122 HydrophobicContact CB-CB 4.49Å; C100-R123 CarbonylContact C-O 3.6Å; C100-R123 WeakPolarHBondContact CA-O 3.43Å; C100-R123 VanDerWaalsContact CB-O 3.29Å; C100-R123 WeakPolarHBondContact CB-O 3.45Å; C100-T125 WeakPolarHBondContact CA-OG1 3.28Å; C100-T125 PolarHBondContact N-OG1 3.02Å
101	E	96.4	Very high	95.2	Very high	76 Å²	76	71.6 Å²	71.6	36%	0.355	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.1	166.9	-70.3	-64.9	160.9	0	0	109.1	Q89 A122 R123 T125	Q89-E101 PolarHBondContact NE2-OE1 3.37Å; Q89-E101 PolarHBondContact NE2-OE2 3.45Å; E101-A122 WeakPolarHBondContact O-CA 3.15Å; E101-R123 PolarHBondContact N-O 2.9Å; E101-R123 PolarHBondContact O-N 2.94Å; E101-T125 HydrophobicContact CB-CG2 3.96Å; E101-T125 HydrophobicContact CG-CG2 3.55Å
102	P	95.8	Very high	95	Very high	36 Å²	36	73 Å²	73	23%	0.234	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	137.6	172	30.4	-33.9	0	0	0	110	V85 L88 F120	V85-P102 HydrophobicContact CG1-CG 3.79Å; V85-P102 HydrophobicContact CG2-CG 4.07Å; L88-P102 HydrophobicContact CD2-CB 3.99Å; P102-F120 HydrophobicContact CB-CD1 3.78Å; P102-F120 HydrophobicContact CB-CE1 4.37Å; P102-F120 HydrophobicContact CB-CG 4.38Å
103	E	92.7	Very high	94.7	Very high	112 Å²	112	79.3 Å²	79.3	52%	0.523	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-46.6	170.6	-63.8	-165.1	159.5	0	0	111.2	L121 R123	E103-L121 HydrophobicContact CB-CB 4.43Å; E103-L121 HydrophobicContact CB-CD2 4.25Å; E103-L121 HydrophobicContact CB-CG 4.18Å; E103-L121 PolarHBondContact N-O 3.13Å; E103-L121 VanDerWaalsContact OE2-CD2 3.26Å; E103-L121 WeakPolarHBondContact OE2-CD2 3.46Å; E103-R123 HydrophobicContact CG-CB 4.09Å; E103-R123 HydrophobicContact CG-CG 3.88Å; E103-R123 WeakPolarHBondContact OE1-CB 3.5Å; E103-R123 VanDerWaalsContact OE1-CD 3.27Å; E103-R123 WeakPolarHBondContact OE1-CD 3.42Å
104	T	92.1	Very high	94.7	Very high	74 Å²	74	76.5 Å²	76.5	45%	0.454	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	160.9	178.1	-169.1	0	0	0	0	111.8	L106 F120 L121	T104-L106 HydrophobicContact CG2-CD2 3.92Å; T104-F120 WeakPolarHBondContact O-CA 3.37Å; T104-L121 HydrophobicContact CG2-CB 3.9Å; T104-L121 HydrophobicContact CG2-CD2 4.21Å; T104-L121 PolarHBondContact N-O 3.09Å; T104-L121 PolarHBondContact O-N 3.12Å
105	L	97	Very high	94.8	Very high	75 Å²	75	73 Å²	73	39%	0.393	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	107.9	170.8	-178.4	68.3	0	0	0	108.7	V108 F118 V119 F120	L105-V108 HydrophobicContact CD1-CG2 4.35Å; L105-V108 HydrophobicContact CD2-CG2 3.61Å; L105-V108 HydrophobicContact CG-CG2 4.19Å; L105-F118 HydrophobicContact CD1-CB 3.95Å; L105-F118 HydrophobicContact CD1-CD1 4.4Å; L105-V119 WeakPolarHBondContact CD1-O 3.4Å; L105-F120 HydrophobicContact CB-CD1 4.29Å; L105-F120 HydrophobicContact CB-CE1 4.07Å; L105-F120 HydrophobicContact CD1-CD1 4.15Å; L105-F120 HydrophobicContact CD1-CD2 4.19Å; L105-F120 HydrophobicContact CD1-CE1 3.86Å; L105-F120 HydrophobicContact CD1-CE2 3.91Å; L105-F120 HydrophobicContact CD1-CG 4.32Å; L105-F120 HydrophobicContact CD1-CZ 3.74Å
106	L	90.2	Very high	94.9	Very high	94 Å²	94	71.3 Å²	71.3	49%	0.492	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	-39.5	-178.5	-66.3	176.4	0	0	0	112.3	V49 T104 V119 L121	V49-L106 HydrophobicContact CB-CD1 4.08Å; V49-L106 HydrophobicContact CG1-CD1 4.46Å; V49-L106 HydrophobicContact CG2-CD1 4.08Å; T104-L106 HydrophobicContact CG2-CD2 3.92Å; L106-V119 HydrophobicContact CB-CG1 4.29Å; L106-V119 HydrophobicContact CD1-CG1 4.48Å; L106-V119 PolarHBondContact N-O 2.89Å; L106-L121 HydrophobicContact CD1-CB 3.9Å; L106-L121 HydrophobicContact CD2-CB 4.04Å; L106-L121 HydrophobicContact CG-CB 3.85Å
107	S	93.6	Very high	95.1	Very high	47 Å²	47	70.8 Å²	70.8	33%	0.329	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	151	-175.5	-175.1	0	0	0	0	112.1	V119	S107-V119 PolarHBondContact N-O 3.02Å; S107-V119 PolarHBondContact O-N 3.24Å
108	V	97	Very high	95.3	Very high	74 Å²	74	69.5 Å²	69.5	45%	0.448	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.2	164.4	-176.5	0	0	0	0	107.3	L105 V116 R117 F118	L105-V108 HydrophobicContact CD1-CG2 4.35Å; L105-V108 HydrophobicContact CD2-CG2 3.61Å; L105-V108 HydrophobicContact CG-CG2 4.19Å; V108-V116 HydrophobicContact CG1-CG1 3.85Å; V108-R117 WeakPolarHBondContact CA-O 3.38Å; V108-F118 HydrophobicContact CG1-CD1 4.24Å; V108-F118 HydrophobicContact CG1-CE1 4.14Å; V108-F118 HydrophobicContact CG2-CD1 3.98Å; V108-F118 HydrophobicContact CG2-CE1 4.37Å
109	E	96.2	Very high	95.4	Very high	53 Å²	53	69.1 Å²	69.1	25%	0.248	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.7	-176.4	-60.5	174.9	-165.1	0	0	110.7	R111 V116 R117	E109-R111 IonicContact OE2-NH2 3.84Å; E109-V116 CarbonylContact O-C 3.53Å; E109-V116 VanDerWaalsContact O-CA 3.28Å; E109-V116 WeakPolarHBondContact O-CA 3.49Å; E109-R117 HydrophobicContact CB-CB 4.43Å; E109-R117 VanDerWaalsContact CD-NH2 3.34Å; E109-R117 PolarHBondContact N-O 3.15Å; E109-R117 PolarHBondContact O-N 3.1Å; E109-R117 IonicContact OE1-CZ 3.72Å; E109-R117 IonicContact OE1-NE 2.77Å; E109-R117 IonicContact OE1-NH2 2.87Å; E109-R117 PolarHBondContact OE1-NH2 3.37Å; E109-R117 IonicContact OE2-CZ 3.65Å; E109-R117 VanDerWaalsContact OE2-CZ 3.26Å; E109-R117 IonicContact OE2-NE 3.62Å; E109-R117 PolarHBondContact OE2-NE 2.99Å; E109-R117 VanDerWaalsContact OE2-NE 3.1Å; E109-R117 IonicContact OE2-NH2 3.48Å; E109-R117 PolarHBondContact OE2-NH2 3.41Å
110	E	96.2	Very high	95.5	Very high	161 Å²	161	65.1 Å²	65.1	75%	0.752	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.9	171.9	-60	-176.2	138.6	0	0	109.7	W115 V116	E110-W115 WeakPolarHBondContact CA-O 3.17Å; E110-V116 HydrophobicContact CG-CG2 4.41Å
111	R	92.6	Very high	95.5	Very high	158 Å²	158	66.9 Å²	66.9	60%	0.596	36%	0.359	S	S	*	.			trans	-117.4	79.6	173.6	-65.5	-172.5	-177.1	-161.7	1.1	109.5	E109 W115	E109-R111 IonicContact OE2-NH2 3.84Å; R111-W115 HydrophobicContact CB-CB 4.32Å; R111-W115 HydrophobicContact CB-CD2 4.03Å; R111-W115 HydrophobicContact CB-CE3 3.48Å; R111-W115 VanDerWaalsContact CB-CE3 3.48Å; R111-W115 HydrophobicContact CB-CG 4.43Å; R111-W115 HydrophobicContact CB-CZ3 4.02Å; R111-W115 HydrophobicContact CG-CD2 4.43Å; R111-W115 HydrophobicContact CG-CE3 3.56Å; R111-W115 HydrophobicContact CG-CH2 4.38Å; R111-W115 HydrophobicContact CG-CZ3 3.53Å; R111-W115 PolarHBondContact N-O 3.34Å; R111-W115 WeakPolarHBondContact O-CB 3.4Å
112	G	93.7	Very high	95.5	Very high	51 Å²	51	63.4 Å²	63.4	53%	0.526	34%	0.343	S	S	.	.	S	Bend	trans	74.9	-174	-170.3	0	0	0	0	0	112.3	S114	G112-S114 VanDerWaalsContact C-N 3.27Å; G112-S114 PolarHBondContact O-N 3.32Å
113	P	91.1	Very high	95.5	Very high	132 Å²	132	67.3 Å²	67.3	86%	0.857	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.4	-165.9	30.7	-37.3	0	0	0	114.9
114	S	95.9	Very high	95.6	Very high	54 Å²	54	65.5 Å²	65.5	38%	0.378	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	17.1	-168.6	-74.1	0	0	0	0	112.9	N41 C43 G112	N41-S114 WeakPolarHBondContact O-CB 3.26Å; N41-S114 PolarHBondContact O-OG 3.09Å; C43-S114 PolarHBondContact N-O 3.34Å; G112-S114 VanDerWaalsContact C-N 3.27Å; G112-S114 PolarHBondContact O-N 3.32Å
115	W	97.8	Very high	95.6	Very high	59 Å²	59	63.7 Å²	63.7	22%	0.223	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	122.1	178.9	-167.5	98.5	0	0	0	110.7	C43 V45 E110 R111 R117	C43-W115 WeakPolarHBondContact O-CA 3.31Å; V45-W115 HydrophobicContact CB-CZ2 4.25Å; V45-W115 HydrophobicContact CG1-CZ2 4.48Å; V45-W115 HydrophobicContact CG2-CZ2 3.9Å; E110-W115 WeakPolarHBondContact CA-O 3.17Å; R111-W115 HydrophobicContact CB-CB 4.32Å; R111-W115 HydrophobicContact CB-CD2 4.03Å; R111-W115 HydrophobicContact CB-CE3 3.48Å; R111-W115 VanDerWaalsContact CB-CE3 3.48Å; R111-W115 HydrophobicContact CB-CG 4.43Å; R111-W115 HydrophobicContact CB-CZ3 4.02Å; R111-W115 HydrophobicContact CG-CD2 4.43Å; R111-W115 HydrophobicContact CG-CE3 3.56Å; R111-W115 HydrophobicContact CG-CH2 4.38Å; R111-W115 HydrophobicContact CG-CZ3 3.53Å; R111-W115 PolarHBondContact N-O 3.34Å; R111-W115 WeakPolarHBondContact O-CB 3.4Å; W115-R117 HydrophobicContact CE3-CB 4.28Å; W115-R117 HydrophobicContact CH2-CB 3.33Å; W115-R117 HydrophobicContact CH2-CG 4.11Å; W115-R117 HydrophobicContact CZ2-CB 4.09Å; W115-R117 HydrophobicContact CZ3-CB 3.41Å; W115-R117 VanDerWaalsContact CZ3-CB 3.41Å
116	V	97.9	Very high	94.4	Very high	22 Å²	22	63.3 Å²	63.3	13%	0.133	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	135.6	178.4	-176	0	0	0	0	108.8	V42 C43 Y44 V45 V108 E109 E110 F118	V42-V116 HydrophobicContact CG1-CG2 4.4Å; C43-V116 PolarHBondContact O-N 3.21Å; Y44-V116 CarbonylContact C-O 3.54Å; Y44-V116 WeakPolarHBondContact CA-O 3.43Å; Y44-V116 HydrophobicContact CD1-CB 4.34Å; V45-V116 PolarHBondContact N-O 3.01Å; V108-V116 HydrophobicContact CG1-CG1 3.85Å; E109-V116 CarbonylContact O-C 3.53Å; E109-V116 VanDerWaalsContact O-CA 3.28Å; E109-V116 WeakPolarHBondContact O-CA 3.49Å; E110-V116 HydrophobicContact CG-CG2 4.41Å; V116-F118 HydrophobicContact CG1-CE1 4.29Å; V116-F118 HydrophobicContact CG1-CE2 4.22Å; V116-F118 HydrophobicContact CG1-CZ 3.94Å
117	R	98.4	Very high	92.5	Very high	22 Å²	22	68 Å²	68	8%	0.083	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129.8	174	178.4	167.8	68.2	168.9	10.1	111.7	V45 L47 Y72 V108 E109 W115 V119	V45-R117 HydrophobicContact CB-CB 4.06Å; V45-R117 HydrophobicContact CB-CG 4.12Å; V45-R117 HydrophobicContact CG1-CB 4.43Å; V45-R117 HydrophobicContact CG1-CG 3.99Å; V45-R117 CarbonylContact O-C 3.6Å; V45-R117 VanDerWaalsContact O-CA 3.27Å; V45-R117 WeakPolarHBondContact O-CA 3.45Å; L47-R117 HydrophobicContact CB-CG 4.3Å; Y72-R117 PolarHBondContact OH-NH1 2.72Å; V108-R117 WeakPolarHBondContact CA-O 3.38Å; E109-R117 HydrophobicContact CB-CB 4.43Å; E109-R117 VanDerWaalsContact CD-NH2 3.34Å; E109-R117 PolarHBondContact N-O 3.15Å; E109-R117 PolarHBondContact O-N 3.1Å; E109-R117 IonicContact OE1-CZ 3.72Å; E109-R117 IonicContact OE1-NE 2.77Å; E109-R117 IonicContact OE1-NH2 2.87Å; E109-R117 PolarHBondContact OE1-NH2 3.37Å; E109-R117 IonicContact OE2-CZ 3.65Å; E109-R117 VanDerWaalsContact OE2-CZ 3.26Å; E109-R117 IonicContact OE2-NE 3.62Å; E109-R117 PolarHBondContact OE2-NE 2.99Å; E109-R117 VanDerWaalsContact OE2-NE 3.1Å; E109-R117 IonicContact OE2-NH2 3.48Å; E109-R117 PolarHBondContact OE2-NH2 3.41Å; W115-R117 HydrophobicContact CE3-CB 4.28Å; W115-R117 HydrophobicContact CH2-CB 3.33Å; W115-R117 HydrophobicContact CH2-CG 4.11Å; W115-R117 HydrophobicContact CZ2-CB 4.09Å; W115-R117 HydrophobicContact CZ3-CB 3.41Å; W115-R117 VanDerWaalsContact CZ3-CB 3.41Å; R117-V119 HydrophobicContact CG-CG2 4.19Å
118	F	98.4	Very high	90.5	Very high	32 Å²	32	68 Å²	68	14%	0.14	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.6	172.9	-54.8	-81.5	0	0	0	109	Y44 V45 V46 L47 M78 I84 L105 V108 V116 F120	Y44-F118 HydrophobicContact CD1-CE2 4.04Å; Y44-F118 HydrophobicContact CD1-CZ 4.42Å; V45-F118 PolarHBondContact O-N 2.95Å; V46-F118 CarbonylContact C-O 3.51Å; V46-F118 WeakPolarHBondContact CA-O 3.05Å; L47-F118 PolarHBondContact N-O 2.87Å; M78-F118 HydrophobicContact SD-CE2 4.44Å; I84-F118 HydrophobicContact CD1-CD2 4.48Å; I84-F118 HydrophobicContact CD1-CE1 4.33Å; I84-F118 HydrophobicContact CD1-CE2 4.15Å; I84-F118 HydrophobicContact CD1-CZ 4.08Å; I84-F118 HydrophobicContact CG2-CB 4.29Å; I84-F118 HydrophobicContact CG2-CD2 4.09Å; I84-F118 HydrophobicContact CG2-CG 4.18Å; L105-F118 HydrophobicContact CD1-CB 3.95Å; L105-F118 HydrophobicContact CD1-CD1 4.4Å; V108-F118 HydrophobicContact CG1-CD1 4.24Å; V108-F118 HydrophobicContact CG1-CE1 4.14Å; V108-F118 HydrophobicContact CG2-CD1 3.98Å; V108-F118 HydrophobicContact CG2-CE1 4.37Å; V116-F118 HydrophobicContact CG1-CE1 4.29Å; V116-F118 HydrophobicContact CG1-CE2 4.22Å; V116-F118 HydrophobicContact CG1-CZ 3.94Å; F118-F120 HydrophobicContact CB-CD2 4.24Å; F118-F120 HydrophobicContact CB-CE2 3.6Å; F118-F120 HydrophobicContact CB-CZ 4.38Å
119	V	98.1	Very high	87.8	Confident	12 Å²	12	73.1 Å²	73.1	7%	0.073	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.9	-179.5	-177.9	0	0	0	0	108.5	L47 V49 L105 L106 S107 R117	L47-V119 HydrophobicContact CB-CG2 4.4Å; L47-V119 HydrophobicContact CD2-CG1 3.79Å; L47-V119 WeakPolarHBondContact O-CA 3.46Å; V49-V119 HydrophobicContact CG2-CG1 3.85Å; L105-V119 WeakPolarHBondContact CD1-O 3.4Å; L106-V119 HydrophobicContact CB-CG1 4.29Å; L106-V119 HydrophobicContact CD1-CG1 4.48Å; L106-V119 PolarHBondContact N-O 2.89Å; S107-V119 PolarHBondContact N-O 3.02Å; S107-V119 PolarHBondContact O-N 3.24Å; R117-V119 HydrophobicContact CG-CG2 4.19Å
120	F	98.2	Very high	85.5	Confident	22 Å²	22	77.4 Å²	77.4	10%	0.096	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.5	179.7	-71.5	-89.5	0	0	0	111.1	L47 V49 I84 L88 P102 T104 L105 F118	L47-F120 PolarHBondContact O-N 2.75Å; V49-F120 PolarHBondContact N-O 3.38Å; I84-F120 HydrophobicContact CG2-CE2 3.58Å; I84-F120 HydrophobicContact CG2-CZ 3.73Å; L88-F120 HydrophobicContact CD1-CB 4.18Å; L88-F120 HydrophobicContact CD1-CD2 4.05Å; L88-F120 HydrophobicContact CD1-CG 4.46Å; L88-F120 HydrophobicContact CD2-CB 3.67Å; L88-F120 HydrophobicContact CD2-CD1 4.46Å; L88-F120 HydrophobicContact CD2-CD2 3.96Å; L88-F120 HydrophobicContact CD2-CG 3.78Å; P102-F120 HydrophobicContact CB-CD1 3.78Å; P102-F120 HydrophobicContact CB-CE1 4.37Å; P102-F120 HydrophobicContact CB-CG 4.38Å; T104-F120 WeakPolarHBondContact O-CA 3.37Å; L105-F120 HydrophobicContact CB-CD1 4.29Å; L105-F120 HydrophobicContact CB-CE1 4.07Å; L105-F120 HydrophobicContact CD1-CD1 4.15Å; L105-F120 HydrophobicContact CD1-CD2 4.19Å; L105-F120 HydrophobicContact CD1-CE1 3.86Å; L105-F120 HydrophobicContact CD1-CE2 3.91Å; L105-F120 HydrophobicContact CD1-CG 4.32Å; L105-F120 HydrophobicContact CD1-CZ 3.74Å; F118-F120 HydrophobicContact CB-CD2 4.24Å; F118-F120 HydrophobicContact CB-CE2 3.6Å; F118-F120 HydrophobicContact CB-CZ 4.38Å
121	L	97.3	Very high	82.4	Confident	38 Å²	38	77.9 Å²	77.9	20%	0.199	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.8	153.1	-178.3	61.1	0	0	0	106.9	V49 E103 T104 L106	V49-L121 WeakPolarHBondContact O-CA 3.35Å; E103-L121 HydrophobicContact CB-CB 4.43Å; E103-L121 HydrophobicContact CB-CD2 4.25Å; E103-L121 HydrophobicContact CB-CG 4.18Å; E103-L121 PolarHBondContact N-O 3.13Å; E103-L121 VanDerWaalsContact OE2-CD2 3.26Å; E103-L121 WeakPolarHBondContact OE2-CD2 3.46Å; T104-L121 HydrophobicContact CG2-CB 3.9Å; T104-L121 HydrophobicContact CG2-CD2 4.21Å; T104-L121 PolarHBondContact N-O 3.09Å; T104-L121 PolarHBondContact O-N 3.12Å; L106-L121 HydrophobicContact CD1-CB 3.9Å; L106-L121 HydrophobicContact CD2-CB 4.04Å; L106-L121 HydrophobicContact CG-CB 3.85Å
122	A	95.9	Very high	79.6	Confident	4 Å²	4	75.2 Å²	75.2	3%	0.033	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.7	-179.7	0	0	0	0	0	110.5	A48 V49 F50 C100 E101	A48-A122 HydrophobicContact CB-CB 4.44Å; V49-A122 PolarHBondContact O-N 2.71Å; F50-A122 HydrophobicContact CD1-CB 4.23Å; F50-A122 WeakPolarHBondContact CD1-O 3.35Å; F50-A122 HydrophobicContact CE1-CB 3.69Å; F50-A122 HydrophobicContact CE2-CB 4.08Å; F50-A122 HydrophobicContact CZ-CB 3.58Å; C100-A122 HydrophobicContact CB-CB 4.49Å; E101-A122 WeakPolarHBondContact O-CA 3.15Å
123	R	94.7	Very high	76.8	Confident	118 Å²	118	82.9 Å²	82.9	45%	0.445	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.5	173.3	61.7	179.6	-176.8	86.5	5.3	110.3	C100 E101 E103	C100-R123 CarbonylContact C-O 3.6Å; C100-R123 WeakPolarHBondContact CA-O 3.43Å; C100-R123 VanDerWaalsContact CB-O 3.29Å; C100-R123 WeakPolarHBondContact CB-O 3.45Å; E101-R123 PolarHBondContact N-O 2.9Å; E101-R123 PolarHBondContact O-N 2.94Å; E103-R123 HydrophobicContact CG-CB 4.09Å; E103-R123 HydrophobicContact CG-CG 3.88Å; E103-R123 WeakPolarHBondContact OE1-CB 3.5Å; E103-R123 VanDerWaalsContact OE1-CD 3.27Å; E103-R123 WeakPolarHBondContact OE1-CD 3.42Å
124	P	95.1	Very high	76.1	Confident	74 Å²	74	80.5 Å²	80.5	48%	0.481	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	144.9	175.5	29.3	-33.3	0	0	0	109.8	H99	H99-P124 WeakPolarHBondContact O-CA 3.39Å
125	T	91.4	Very high	75	Confident	35 Å²	35	81.8 Å²	81.8	22%	0.215	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.3	174.6	54.2	0	0	0	0	110.7	H99 C100 E101	H99-T125 WeakPolarHBondContact CB-O 3.23Å; H99-T125 PolarHBondContact O-N 3.31Å; C100-T125 WeakPolarHBondContact CA-OG1 3.28Å; C100-T125 PolarHBondContact N-OG1 3.02Å; E101-T125 HydrophobicContact CB-CG2 3.96Å; E101-T125 HydrophobicContact CG-CG2 3.55Å
126	G	72.8	Confident	73.8	Confident	67 Å²	67	83.1 Å²	83.1	69%	0.691	47%	0.469	S	S	*	.	S	Bend	trans	83	162.5	-170.9	0	0	0	0	0	113.4	A128	G126-A128 PolarHBondContact O-N 3.47Å
127	M	49.6	Very low	72.4	Confident	193 Å²	193	86.7 Å²	86.7	95%	0.951	49%	0.489	S	S	*	.			trans	-73.6	93.6	176.5	-74	-170.2	-68.5	0	0	109.5
128	A	52	Low	70.7	Confident	48 Å²	48	90.8 Å²	90.8	40%	0.397	51%	0.514	S	S	.	.			trans	-82.3	115.4	162.2	0	0	0	0	0	108.3	L98 G126 L130	L98-A128 HydrophobicContact CD2-CB 3.42Å; L98-A128 VanDerWaalsContact CD2-CB 3.42Å; G126-A128 PolarHBondContact O-N 3.47Å; A128-L130 VanDerWaalsContact C-N 3.25Å; A128-L130 PolarHBondContact O-N 3.39Å
129	H	41.6	Very low	68.9	Low	180 Å²	180	94.7 Å²	94.7	83%	0.833	54%	0.539	S	S	*	.			trans	-63.7	95.3	156.4	-91	-91.5	0	0	0	106.7	E131	H129-E131 VanDerWaalsContact C-N 3.25Å; H129-E131 PolarHBondContact O-N 3.33Å
130	L	46.1	Very low	66.8	Low	143 Å²	143	100.6 Å²	100.6	75%	0.749	57%	0.573	S	S	*	*			trans	-72.4	86.4	165.7	-80.9	157.8	0	0	0	107.2	A128 A132	A128-L130 VanDerWaalsContact C-N 3.25Å; A128-L130 PolarHBondContact O-N 3.39Å; L130-A132 PolarHBondContact O-N 3.13Å
131	E	32.3	Very low	64.4	Low	172 Å²	172	106.6 Å²	106.6	80%	0.804	61%	0.609	S	S	*	*			trans	-80.1	102	157.3	-72.9	-168.4	167.3	0	0	106.9	H129 V133	H129-E131 VanDerWaalsContact C-N 3.25Å; H129-E131 PolarHBondContact O-N 3.33Å; E131-V133 PolarHBondContact O-N 3.17Å
132	A	33.3	Very low	61.6	Low	101 Å²	101	112.3 Å²	112.3	84%	0.835	64%	0.644	S	S	*	*			trans	-59.5	124.1	165.4	0	0	0	0	0	108.3	L130	L130-A132 PolarHBondContact O-N 3.13Å
133	V	34.9	Very low	58.5	Low	213 Å²	213	122.2 Å²	122.2	100%	1.291	70%	0.699	S	S	*	*			trans	-82.6	0	169.5	-177.6	0	0	0	0	109.4	E131	E131-V133 PolarHBondContact O-N 3.17Å

Retrieved 133 of 133 residues in 74.5 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).