A0A087WYZ4_HUMAN Loading...

Glycoprotein hormones alpha chain

Shared alpha chain of the active heterodimeric glycoprotein hormones thyrotropin/thyroid stimulating hormone/TSH, lutropin/luteinizing hormone/LH, follitropin/follicle stimulating hormone/FSH and choriogonadotropin/CG. These hormones bind specific receptors on target cells that in turn activate downstream signaling pathways.

AlphaFold DB , UniProt , Accession A0A087WYZ4, Species HUMAN (Homo sapiens, Human), Gene CGA, Length 147 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	57.6	Low	67.7	Low	210 Å²	210	132.6 Å²	132.6	100%	1.034	61%	0.609	S	S	*	*				0	29.4	0	-77.7	-68.6	-168.2	0	0	110.9
2	D	57.7	Low	68.7	Low	111 Å²	111	132.1 Å²	132.1	59%	0.594	61%	0.613	S	S	*	*			trans	-110.7	-22.4	-166.7	-58.5	-84.3	0	0	0	112.9	K6	D2-K6 WeakPolarHBondContact O-CB 3.49Å; D2-K6 WeakPolarHBondContact O-CG 3.28Å; D2-K6 PolarHBondContact O-N 2.76Å
3	Y	61.6	Low	69.5	Low	168 Å²	168	129.1 Å²	129.1	66%	0.659	61%	0.61	S	S	*	*	H	α-helix	trans	-66.6	-47.4	176.8	-174.6	-100.4	0	0	0	111.7	R5 K6 Y7	Y3-R5 VanDerWaalsContact C-N 3.3Å; Y3-R5 PolarHBondContact O-N 2.92Å; Y3-K6 PolarHBondContact O-N 2.86Å; Y3-Y7 HydrophobicContact CD1-CD2 4.27Å; Y3-Y7 AromaticContact CE1-CD2 3.7Å; Y3-Y7 HydrophobicContact CE1-CD2 3.7Å; Y3-Y7 AromaticContact CE1-CE2 3.88Å; Y3-Y7 HydrophobicContact CE1-CE2 3.88Å; Y3-Y7 HydrophobicContact CE2-CD2 4.1Å; Y3-Y7 HydrophobicContact CE2-CE2 4.02Å; Y3-Y7 AromaticContact CZ-CD2 3.62Å; Y3-Y7 AromaticContact CZ-CE2 3.42Å; Y3-Y7 VanDerWaalsContact CZ-CE2 3.42Å; Y3-Y7 WeakPolarHBondContact O-CB 3.48Å; Y3-Y7 PolarHBondContact O-N 3.29Å; Y3-Y7 WeakPolarHBondContact OH-CE2 3.35Å
4	Y	64.8	Low	70.1	Confident	194 Å²	194	125.1 Å²	125.1	76%	0.761	60%	0.598	S	S	*	*	H	α-helix	trans	-65.5	-35.1	179.1	-155.7	-92.9	0	0	0	112.1	Y7 A8	Y4-Y7 PolarHBondContact O-N 3.27Å; Y4-A8 VanDerWaalsContact O-CB 3.25Å; Y4-A8 WeakPolarHBondContact O-CB 3.21Å; Y4-A8 PolarHBondContact O-N 3.32Å
5	R	64.1	Low	70.7	Confident	196 Å²	196	124.3 Å²	124.3	74%	0.74	60%	0.598	S	S	*	*	H	α-helix	trans	-70	-38.6	176.2	-164	177.2	-177.2	179.7	1.5	112.2	Y3 A9	Y3-R5 VanDerWaalsContact C-N 3.3Å; Y3-R5 PolarHBondContact O-N 2.92Å; R5-A9 WeakPolarHBondContact O-CB 3.4Å; R5-A9 PolarHBondContact O-N 2.72Å
6	K	65.4	Low	71.1	Confident	150 Å²	150	119.9 Å²	119.9	65%	0.652	58%	0.584	S	S	*	*	H	α-helix	trans	-66.9	-42.5	172.1	-77.3	-178.2	178.9	-173.1	0	111.9	D2 Y3 A9 I10	D2-K6 WeakPolarHBondContact O-CB 3.49Å; D2-K6 WeakPolarHBondContact O-CG 3.28Å; D2-K6 PolarHBondContact O-N 2.76Å; Y3-K6 PolarHBondContact O-N 2.86Å; K6-A9 PolarHBondContact O-N 3.2Å; K6-I10 VanDerWaalsContact O-CG1 3.25Å; K6-I10 WeakPolarHBondContact O-CG1 3.49Å; K6-I10 PolarHBondContact O-N 2.83Å
7	Y	70.1	Confident	71.6	Confident	112 Å²	112	117.9 Å²	117.9	44%	0.439	58%	0.581	S	S	.	*	H	α-helix	trans	-63.8	-44.3	176.3	-115.8	-92.4	0	0	0	112.1	Y3 Y4 A9 I10 F11	Y3-Y7 HydrophobicContact CD1-CD2 4.27Å; Y3-Y7 AromaticContact CE1-CD2 3.7Å; Y3-Y7 HydrophobicContact CE1-CD2 3.7Å; Y3-Y7 AromaticContact CE1-CE2 3.88Å; Y3-Y7 HydrophobicContact CE1-CE2 3.88Å; Y3-Y7 HydrophobicContact CE2-CD2 4.1Å; Y3-Y7 HydrophobicContact CE2-CE2 4.02Å; Y3-Y7 AromaticContact CZ-CD2 3.62Å; Y3-Y7 AromaticContact CZ-CE2 3.42Å; Y3-Y7 VanDerWaalsContact CZ-CE2 3.42Å; Y3-Y7 WeakPolarHBondContact O-CB 3.48Å; Y3-Y7 PolarHBondContact O-N 3.29Å; Y3-Y7 WeakPolarHBondContact OH-CE2 3.35Å; Y4-Y7 PolarHBondContact O-N 3.27Å; Y7-A9 VanDerWaalsContact C-N 3.33Å; Y7-A9 PolarHBondContact O-N 2.87Å; Y7-I10 PolarHBondContact O-N 2.87Å; Y7-F11 AromaticContact CD1-CD2 3.99Å; Y7-F11 HydrophobicContact CD1-CD2 3.99Å; Y7-F11 AromaticContact CD1-CE2 3.89Å; Y7-F11 HydrophobicContact CD1-CE2 3.89Å; Y7-F11 HydrophobicContact CE1-CE2 4.1Å; Y7-F11 WeakPolarHBondContact O-CB 3.36Å; Y7-F11 PolarHBondContact O-N 3.11Å
8	A	74.4	Confident	71.7	Confident	41 Å²	41	119.3 Å²	119.3	34%	0.339	58%	0.583	S	S	.	*	H	α-helix	trans	-61.3	-41.6	174.8	0	0	0	0	0	111.5	Y4 F11 L12	Y4-A8 VanDerWaalsContact O-CB 3.25Å; Y4-A8 WeakPolarHBondContact O-CB 3.21Å; Y4-A8 PolarHBondContact O-N 3.32Å; A8-F11 PolarHBondContact O-N 3.42Å; A8-L12 WeakPolarHBondContact O-CB 3.46Å; A8-L12 VanDerWaalsContact O-CG 3.22Å; A8-L12 WeakPolarHBondContact O-CG 3.4Å; A8-L12 PolarHBondContact O-N 3.39Å
9	A	76.4	Confident	71.8	Confident	50 Å²	50	118.6 Å²	118.6	41%	0.413	58%	0.582	S	S	.	*	H	α-helix	trans	-63.8	-42.4	175.5	0	0	0	0	0	112.2	R5 K6 Y7 L12 V13	R5-A9 WeakPolarHBondContact O-CB 3.4Å; R5-A9 PolarHBondContact O-N 2.72Å; K6-A9 PolarHBondContact O-N 3.2Å; Y7-A9 VanDerWaalsContact C-N 3.33Å; Y7-A9 PolarHBondContact O-N 2.87Å; A9-L12 PolarHBondContact O-N 3.14Å; A9-V13 VanDerWaalsContact O-CG2 3.25Å; A9-V13 WeakPolarHBondContact O-CG2 3.13Å; A9-V13 PolarHBondContact O-N 3.45Å
10	I	75.8	Confident	71.5	Confident	100 Å²	100	119 Å²	119	51%	0.513	58%	0.582	S	S	.	*	H	α-helix	trans	-63.5	-46.3	177	-68.2	163.6	0	0	0	110.6	K6 Y7 L12 V13 T14	K6-I10 VanDerWaalsContact O-CG1 3.25Å; K6-I10 WeakPolarHBondContact O-CG1 3.49Å; K6-I10 PolarHBondContact O-N 2.83Å; Y7-I10 PolarHBondContact O-N 2.87Å; I10-L12 VanDerWaalsContact C-N 3.35Å; I10-L12 PolarHBondContact O-N 3.45Å; I10-V13 PolarHBondContact O-N 2.9Å; I10-T14 HydrophobicContact CG2-CG2 4.4Å; I10-T14 WeakPolarHBondContact O-CG2 3.44Å; I10-T14 PolarHBondContact O-N 3.45Å; I10-T14 PolarHBondContact O-OG1 3.4Å; I10-T14 VanDerWaalsContact O-OG1 3.13Å
11	F	77.1	Confident	71.3	Confident	127 Å²	127	117.6 Å²	117.6	56%	0.557	58%	0.58	S	S	*	*	H	α-helix	trans	-61.3	-41.4	177.3	-100.5	-80.1	0	0	0	112.6	Y7 A8 V13 T14 L15	Y7-F11 AromaticContact CD1-CD2 3.99Å; Y7-F11 HydrophobicContact CD1-CD2 3.99Å; Y7-F11 AromaticContact CD1-CE2 3.89Å; Y7-F11 HydrophobicContact CD1-CE2 3.89Å; Y7-F11 HydrophobicContact CE1-CE2 4.1Å; Y7-F11 WeakPolarHBondContact O-CB 3.36Å; Y7-F11 PolarHBondContact O-N 3.11Å; A8-F11 PolarHBondContact O-N 3.42Å; F11-V13 VanDerWaalsContact C-N 3.34Å; F11-T14 WeakPolarHBondContact CA-OG1 3.38Å; F11-T14 PolarHBondContact O-N 3.07Å; F11-T14 PolarHBondContact O-OG1 2.78Å; F11-L15 VanDerWaalsContact O-CB 3.24Å; F11-L15 WeakPolarHBondContact O-CB 3.33Å; F11-L15 PolarHBondContact O-N 3.42Å
12	L	79.9	Confident	71.5	Confident	126 Å²	126	112.8 Å²	112.8	66%	0.66	56%	0.558	S	S	*	*	H	α-helix	trans	-67.4	-36.5	177.9	-70.9	172	0	0	0	111.8	A8 A9 I10 S16	A8-L12 WeakPolarHBondContact O-CB 3.46Å; A8-L12 VanDerWaalsContact O-CG 3.22Å; A8-L12 WeakPolarHBondContact O-CG 3.4Å; A8-L12 PolarHBondContact O-N 3.39Å; A9-L12 PolarHBondContact O-N 3.14Å; I10-L12 VanDerWaalsContact C-N 3.35Å; I10-L12 PolarHBondContact O-N 3.45Å; L12-S16 WeakPolarHBondContact O-CB 3.4Å; L12-S16 PolarHBondContact O-N 3.17Å
13	V	78.3	Confident	71.5	Confident	93 Å²	93	115.8 Å²	115.8	56%	0.564	57%	0.568	S	S	*	*	H	α-helix	trans	-69.1	-44.5	175.9	172.4	0	0	0	0	111.1	A9 I10 F11 S16 V17	A9-V13 VanDerWaalsContact O-CG2 3.25Å; A9-V13 WeakPolarHBondContact O-CG2 3.13Å; A9-V13 PolarHBondContact O-N 3.45Å; I10-V13 PolarHBondContact O-N 2.9Å; F11-V13 VanDerWaalsContact C-N 3.34Å; V13-S16 PolarHBondContact O-N 2.8Å; V13-V17 VanDerWaalsContact O-CG2 3.3Å; V13-V17 WeakPolarHBondContact O-CG2 3.48Å; V13-V17 PolarHBondContact O-N 3.43Å
14	T	77.6	Confident	71.3	Confident	74 Å²	74	112 Å²	112	45%	0.454	57%	0.566	S	S	.	*	H	α-helix	trans	-65.9	-42.8	178.3	53	0	0	0	0	111.8	I10 F11 S16 V17 F18	I10-T14 HydrophobicContact CG2-CG2 4.4Å; I10-T14 WeakPolarHBondContact O-CG2 3.44Å; I10-T14 PolarHBondContact O-N 3.45Å; I10-T14 PolarHBondContact O-OG1 3.4Å; I10-T14 VanDerWaalsContact O-OG1 3.13Å; F11-T14 WeakPolarHBondContact CA-OG1 3.38Å; F11-T14 PolarHBondContact O-N 3.07Å; F11-T14 PolarHBondContact O-OG1 2.78Å; T14-S16 VanDerWaalsContact C-N 3.33Å; T14-S16 PolarHBondContact O-N 2.81Å; T14-V17 PolarHBondContact O-N 2.92Å; T14-F18 WeakPolarHBondContact O-CB 3.24Å; T14-F18 PolarHBondContact O-N 2.93Å
15	L	79.9	Confident	70.6	Confident	112 Å²	112	105.7 Å²	105.7	59%	0.586	55%	0.554	S	S	*	*	H	α-helix	trans	-65	-39.8	177.6	-150.6	111.5	0	0	0	111.1	F11 F18 L19	F11-L15 VanDerWaalsContact O-CB 3.24Å; F11-L15 WeakPolarHBondContact O-CB 3.33Å; F11-L15 PolarHBondContact O-N 3.42Å; L15-F18 PolarHBondContact O-N 2.03Å; L15-L19 WeakPolarHBondContact O-CB 3.5Å; L15-L19 PolarHBondContact O-N 3.26Å
16	S	77.4	Confident	69.7	Low	54 Å²	54	101.7 Å²	101.7	38%	0.378	55%	0.553	S	S	.	*	H	α-helix	trans	-60.7	-51.3	173.6	179.8	0	0	0	0	111.3	L12 V13 T14 F18 L19 H20	L12-S16 WeakPolarHBondContact O-CB 3.4Å; L12-S16 PolarHBondContact O-N 3.17Å; V13-S16 PolarHBondContact O-N 2.8Å; T14-S16 VanDerWaalsContact C-N 3.33Å; T14-S16 PolarHBondContact O-N 2.81Å; S16-F18 VanDerWaalsContact C-N 3.28Å; S16-F18 PolarHBondContact O-N 3.27Å; S16-L19 PolarHBondContact O-N 2.97Å; S16-L19 VanDerWaalsContact O-N 3.15Å; S16-H20 PolarHBondContact O-N 3.11Å; S16-H20 PolarHBondContact O-ND1 3.07Å; S16-H20 PolarHBondContact OG-CE1 2.8Å; S16-H20 VanDerWaalsContact OG-CE1 3.23Å; S16-H20 PolarHBondContact OG-ND1 2.93Å
17	V	78.6	Confident	68.8	Low	87 Å²	87	101 Å²	101	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-58	-42.9	177.7	172.1	0	0	0	0	111	V13 T14 L19 H20 V21	V13-V17 VanDerWaalsContact O-CG2 3.3Å; V13-V17 WeakPolarHBondContact O-CG2 3.48Å; V13-V17 PolarHBondContact O-N 3.43Å; T14-V17 PolarHBondContact O-N 2.92Å; V17-L19 PolarHBondContact O-N 2.66Å; V17-H20 PolarHBondContact O-N 3.05Å; V17-V21 HydrophobicContact CG1-CG2 4.49Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.36Å
18	F	74.6	Confident	67.8	Low	143 Å²	143	101.6 Å²	101.6	63%	0.627	57%	0.572	S	S	*	*	H	α-helix	trans	-64.4	-40.7	178.4	-148.1	-95.7	0	0	0	112.2	T14 L15 S16 V21 L22	T14-F18 WeakPolarHBondContact O-CB 3.24Å; T14-F18 PolarHBondContact O-N 2.93Å; L15-F18 PolarHBondContact O-N 2.03Å; S16-F18 VanDerWaalsContact C-N 3.28Å; S16-F18 PolarHBondContact O-N 3.27Å; F18-V21 PolarHBondContact O-N 2.8Å; F18-L22 HydrophobicContact CD1-CD1 3.72Å; F18-L22 HydrophobicContact CE1-CD1 4.01Å; F18-L22 PolarHBondContact O-N 2.03Å
19	L	72.2	Confident	66	Low	106 Å²	106	106.4 Å²	106.4	56%	0.555	59%	0.587	S	S	*	*	H	α-helix	trans	-66.1	-39	175.9	-137.3	74.5	0	0	0	111.7	L15 S16 V17 L22 H23	L15-L19 WeakPolarHBondContact O-CB 3.5Å; L15-L19 PolarHBondContact O-N 3.26Å; S16-L19 PolarHBondContact O-N 2.97Å; S16-L19 VanDerWaalsContact O-N 3.15Å; V17-L19 PolarHBondContact O-N 2.66Å; L19-L22 PolarHBondContact O-N 3.33Å; L19-H23 WeakPolarHBondContact O-CB 3.4Å; L19-H23 PolarHBondContact O-N 3.46Å
20	H	66.9	Low	64.7	Low	126 Å²	126	112.5 Å²	112.5	58%	0.583	61%	0.607	S	S	*	*	H	α-helix	trans	-67.9	-35.1	175.7	-73.2	74.8	0	0	0	111.7	S16 V17 H23 S24	S16-H20 PolarHBondContact O-N 3.11Å; S16-H20 PolarHBondContact O-ND1 3.07Å; S16-H20 PolarHBondContact OG-CE1 2.8Å; S16-H20 VanDerWaalsContact OG-CE1 3.23Å; S16-H20 PolarHBondContact OG-ND1 2.93Å; V17-H20 PolarHBondContact O-N 3.05Å; H20-H23 PolarHBondContact O-N 2.95Å; H20-S24 VanDerWaalsContact O-CB 3.31Å; H20-S24 WeakPolarHBondContact O-CB 3.47Å; H20-S24 PolarHBondContact O-N 2.91Å; H20-S24 PolarHBondContact O-OG 2.81Å
21	V	66.4	Low	63.3	Low	89 Å²	89	112.7 Å²	112.7	54%	0.539	61%	0.613	S	S	.	*	H	α-helix	trans	-67.1	-40.7	172.9	172	0	0	0	0	110.9	V17 F18 H23 S24 A25	V17-V21 HydrophobicContact CG1-CG2 4.49Å; V17-V21 VanDerWaalsContact O-CG2 3.29Å; V17-V21 WeakPolarHBondContact O-CG2 3.48Å; V17-V21 PolarHBondContact O-N 3.36Å; F18-V21 PolarHBondContact O-N 2.8Å; V21-H23 VanDerWaalsContact C-N 3.34Å; V21-S24 WeakPolarHBondContact CA-OG 3.04Å; V21-S24 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-OG 3.26Å; V21-A25 PolarHBondContact O-N 3.07Å
22	L	63.1	Low	61.6	Low	110 Å²	110	108.7 Å²	108.7	58%	0.576	61%	0.607	S	S	*	*	H	α-helix	trans	-65	-35.8	173.5	-83.1	156.4	0	0	0	112.7	F18 L19	F18-L22 HydrophobicContact CD1-CD1 3.72Å; F18-L22 HydrophobicContact CE1-CD1 4.01Å; F18-L22 PolarHBondContact O-N 2.03Å; L19-L22 PolarHBondContact O-N 3.33Å
23	H	56.3	Low	60.1	Low	174 Å²	174	110.1 Å²	110.1	81%	0.806	61%	0.609	S	S	*	*	H	α-helix	trans	-82.6	-14.8	178.6	-122.7	79.1	0	0	0	114.3	L19 H20 V21	L19-H23 WeakPolarHBondContact O-CB 3.4Å; L19-H23 PolarHBondContact O-N 3.46Å; H20-H23 PolarHBondContact O-N 2.95Å; V21-H23 VanDerWaalsContact C-N 3.34Å
24	S	57.1	Low	58.7	Low	89 Å²	89	112.9 Å²	112.9	62%	0.622	62%	0.615	S	S	*	*	H	α-helix	trans	-102	-8	176.2	53.7	0	0	0	0	113.4	H20 V21 P26	H20-S24 VanDerWaalsContact O-CB 3.31Å; H20-S24 WeakPolarHBondContact O-CB 3.47Å; H20-S24 PolarHBondContact O-N 2.91Å; H20-S24 PolarHBondContact O-OG 2.81Å; V21-S24 WeakPolarHBondContact CA-OG 3.04Å; V21-S24 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-OG 3.26Å; S24-P26 WeakPolarHBondContact O-CD 3.46Å
25	A	50.4	Low	57.4	Low	60 Å²	60	115.8 Å²	115.8	50%	0.496	62%	0.623	S	S	.	*	S	Bend	trans	-68.8	117	162.1	0	0	0	0	0	108	V21 D27	V21-A25 PolarHBondContact O-N 3.07Å; A25-D27 PolarHBondContact O-N 2.78Å
26	P	45.5	Very low	56.2	Low	113 Å²	113	115.2 Å²	115.2	73%	0.734	62%	0.624	S	S	*	*			trans	-62.8	132.9	179.5	26.5	-32.2	0	0	0	108.9	S24 V28	S24-P26 WeakPolarHBondContact O-CD 3.46Å; P26-V28 PolarHBondContact O-N 3.13Å
27	D	46.5	Very low	55.3	Low	136 Å²	136	115.7 Å²	115.7	73%	0.727	63%	0.631	S	S	*	*			trans	-36.8	110.2	166.8	-151.2	-93.3	0	0	0	109.3	A25 Q29	A25-D27 PolarHBondContact O-N 2.78Å; D27-Q29 PolarHBondContact O-N 2.88Å
28	V	49.6	Very low	54.5	Low	123 Å²	123	116.4 Å²	116.4	75%	0.745	63%	0.629	S	S	*	*			trans	-73.8	74.7	170	179.9	0	0	0	0	106	P26 E30 F33	P26-V28 PolarHBondContact O-N 3.13Å; V28-E30 PolarHBondContact O-N 3.23Å; V28-F33 HydrophobicContact CG1-CE2 4.18Å
29	Q	36.4	Very low	53.5	Low	143 Å²	143	112 Å²	112	67%	0.668	62%	0.618	S	S	*	*			trans	-71.7	90.1	-179.4	-168.1	173.4	32.8	0	0	108.6	D27 T31	D27-Q29 PolarHBondContact O-N 2.88Å; Q29-T31 PolarHBondContact O-N 3.1Å; Q29-T31 PolarHBondContact O-OG1 2.91Å; Q29-T31 VanDerWaalsContact O-OG1 3.07Å
30	E	48.4	Very low	52.8	Low	178 Å²	178	109.2 Å²	109.2	83%	0.832	61%	0.611	S	S	*	*	S	Bend	trans	30.6	18.7	137	-132.4	177.3	172	0	0	121.8	V28	V28-E30 PolarHBondContact O-N 3.23Å
31	T	46.3	Very low	52.3	Low	103 Å²	103	109 Å²	109	63%	0.632	61%	0.614	S	S	*	*	S	Bend	trans	-131.9	-10.2	-176.4	56.5	0	0	0	0	113.9	Q29	Q29-T31 PolarHBondContact O-N 3.1Å; Q29-T31 PolarHBondContact O-OG1 2.91Å; Q29-T31 VanDerWaalsContact O-OG1 3.07Å
32	G	41.6	Very low	51.6	Low	43 Å²	43	112 Å²	112	44%	0.443	62%	0.619	S	S	.	*	S	Bend	trans	-86.8	-26.8	178.4	0	0	0	0	0	115.5	H34 H35 V36	G32-H34 PolarHBondContact O-N 2.9Å; G32-H35 PolarHBondContact O-N 2.03Å; G32-V36 WeakPolarHBondContact O-CG2 3.39Å; G32-V36 PolarHBondContact O-N 3.26Å
33	F	47.9	Very low	51.1	Low	156 Å²	156	113.1 Å²	113.1	68%	0.684	63%	0.625	S	S	*	*	H	α-helix	trans	-72.8	-30.3	-173.7	-81.4	-86.1	0	0	0	113.7	V28 H35 A37	V28-F33 HydrophobicContact CG1-CE2 4.18Å; F33-H35 PolarHBondContact O-N 3.16Å; F33-A37 VanDerWaalsContact O-CB 3.23Å; F33-A37 WeakPolarHBondContact O-CB 3.39Å; F33-A37 PolarHBondContact O-N 2.78Å
34	H	50.5	Low	50.9	Low	152 Å²	152	111.1 Å²	111.1	70%	0.704	62%	0.62	S	S	*	*	H	α-helix	trans	-64.7	-39.6	175.7	-88.6	-74.9	0	0	0	112.1	G32 Q38	G32-H34 PolarHBondContact O-N 2.9Å; H34-Q38 WeakPolarHBondContact O-CB 3.1Å; H34-Q38 PolarHBondContact O-N 2.82Å
35	H	49.3	Very low	50.5	Low	134 Å²	134	111.5 Å²	111.5	62%	0.62	62%	0.623	S	S	*	*	H	α-helix	trans	-74.9	-37.7	179.9	-75.8	-69.2	0	0	0	112.8	G32 F33 Q38 A39	G32-H35 PolarHBondContact O-N 2.03Å; F33-H35 PolarHBondContact O-N 3.16Å; H35-Q38 PolarHBondContact O-N 3.23Å; H35-A39 VanDerWaalsContact O-CB 3.27Å; H35-A39 WeakPolarHBondContact O-CB 3.01Å; H35-A39 PolarHBondContact O-N 2.94Å
36	V	55.2	Low	50.1	Low	101 Å²	101	113.2 Å²	113.2	61%	0.612	63%	0.631	S	S	*	*	H	α-helix	trans	-69	-40.9	176.2	178.3	0	0	0	0	111.1	G32 Q38 A39 A40	G32-V36 WeakPolarHBondContact O-CG2 3.39Å; G32-V36 PolarHBondContact O-N 3.26Å; V36-Q38 VanDerWaalsContact C-N 3.34Å; V36-Q38 PolarHBondContact O-N 2.99Å; V36-A39 PolarHBondContact O-N 2.03Å; V36-A40 WeakPolarHBondContact O-CB 3.43Å; V36-A40 PolarHBondContact O-N 3.06Å
37	A	58.2	Low	50.1	Low	63 Å²	63	112.2 Å²	112.2	52%	0.521	63%	0.627	S	S	.	*	H	α-helix	trans	-63.8	-39.1	172.9	0	0	0	0	0	112.1	F33 L41	F33-A37 VanDerWaalsContact O-CB 3.23Å; F33-A37 WeakPolarHBondContact O-CB 3.39Å; F33-A37 PolarHBondContact O-N 2.78Å; A37-L41 VanDerWaalsContact O-CB 3.25Å; A37-L41 WeakPolarHBondContact O-CB 3.41Å; A37-L41 PolarHBondContact O-N 2.68Å
38	Q	61.9	Low	50	Low	103 Å²	103	112.9 Å²	112.9	48%	0.481	63%	0.63	S	S	.	*	H	α-helix	trans	-71.5	-32.3	176.8	-167.7	174.3	15.1	0	0	112.6	H34 H35 V36 K42	H34-Q38 WeakPolarHBondContact O-CB 3.1Å; H34-Q38 PolarHBondContact O-N 2.82Å; H35-Q38 PolarHBondContact O-N 3.23Å; V36-Q38 VanDerWaalsContact C-N 3.34Å; V36-Q38 PolarHBondContact O-N 2.99Å; Q38-K42 WeakPolarHBondContact O-CB 3.21Å; Q38-K42 PolarHBondContact O-N 2.99Å
39	A	53	Low	50.1	Low	49 Å²	49	112.3 Å²	112.3	41%	0.405	63%	0.629	S	S	.	*	H	α-helix	trans	-70.5	-43.4	173.9	0	0	0	0	0	111.6	H35 V36 L41 K42 L43	H35-A39 VanDerWaalsContact O-CB 3.27Å; H35-A39 WeakPolarHBondContact O-CB 3.01Å; H35-A39 PolarHBondContact O-N 2.94Å; V36-A39 PolarHBondContact O-N 2.03Å; A39-L41 VanDerWaalsContact C-N 3.34Å; A39-L41 PolarHBondContact O-N 2.8Å; A39-K42 PolarHBondContact O-N 3.45Å; A39-L43 WeakPolarHBondContact O-CB 3.02Å; A39-L43 WeakPolarHBondContact O-CG 3.41Å; A39-L43 PolarHBondContact O-N 3.14Å
40	A	57.3	Low	50.5	Low	49 Å²	49	111.4 Å²	111.4	41%	0.405	64%	0.635	S	S	.	*	H	α-helix	trans	-61.8	-41.3	172.5	0	0	0	0	0	111.7	V36 L43 L44	V36-A40 WeakPolarHBondContact O-CB 3.43Å; V36-A40 PolarHBondContact O-N 3.06Å; A40-L43 PolarHBondContact O-N 2.55Å; A40-L44 VanDerWaalsContact O-CG 3.31Å; A40-L44 WeakPolarHBondContact O-CG 3Å; A40-L44 PolarHBondContact O-N 2.9Å
41	L	58.1	Low	50.1	Low	121 Å²	121	109.2 Å²	109.2	63%	0.634	64%	0.635	S	S	*	*	H	α-helix	trans	-67.1	-36.7	176.3	-167	68.4	0	0	0	112.7	A37 A39 S45	A37-L41 VanDerWaalsContact O-CB 3.25Å; A37-L41 WeakPolarHBondContact O-CB 3.41Å; A37-L41 PolarHBondContact O-N 2.68Å; A39-L41 VanDerWaalsContact C-N 3.34Å; A39-L41 PolarHBondContact O-N 2.8Å; L41-S45 PolarHBondContact O-N 2.83Å
42	K	51.7	Low	49.9	Very low	151 Å²	151	114 Å²	114	66%	0.657	65%	0.647	S	S	*	*	H	α-helix	trans	-68.3	-38.7	172.7	-90.3	-176.5	174.6	179.2	0	112.4	Q38 A39 S45 S46	Q38-K42 WeakPolarHBondContact O-CB 3.21Å; Q38-K42 PolarHBondContact O-N 2.99Å; A39-K42 PolarHBondContact O-N 3.45Å; K42-S45 PolarHBondContact O-N 3.45Å; K42-S46 PolarHBondContact O-N 3.31Å
43	L	51.4	Low	49.6	Very low	134 Å²	134	116.1 Å²	116.1	70%	0.702	66%	0.66	S	S	*	*	H	α-helix	trans	-63.8	-43	175.4	-77.2	169.7	0	0	0	111.5	A39 A40 S45 S46	A39-L43 WeakPolarHBondContact O-CB 3.02Å; A39-L43 WeakPolarHBondContact O-CG 3.41Å; A39-L43 PolarHBondContact O-N 3.14Å; A40-L43 PolarHBondContact O-N 2.55Å; L43-S45 PolarHBondContact O-N 1.98Å; L43-S46 PolarHBondContact O-N 3.22Å
44	L	52.2	Low	49.5	Very low	133 Å²	133	114 Å²	114	70%	0.696	66%	0.664	S	S	*	*	H	α-helix	trans	-66.1	-22.9	176	-69.7	170.8	0	0	0	113.5	A40	A40-L44 VanDerWaalsContact O-CG 3.31Å; A40-L44 WeakPolarHBondContact O-CG 3Å; A40-L44 PolarHBondContact O-N 2.9Å
45	S	48.3	Very low	49.3	Very low	97 Å²	97	115.4 Å²	115.4	68%	0.678	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-10.7	178.3	-171.8	0	0	0	0	113.9	L41 K42 L43	L41-S45 PolarHBondContact O-N 2.83Å; K42-S45 PolarHBondContact O-N 3.45Å; L43-S45 PolarHBondContact O-N 1.98Å
46	S	42.1	Very low	49.5	Very low	96 Å²	96	112.1 Å²	112.1	67%	0.671	66%	0.663	S	S	*	*	S	Bend	trans	-88.6	-19.1	-173.3	-171.6	0	0	0	0	113.8	K42 L43 N48	K42-S46 PolarHBondContact O-N 3.31Å; L43-S46 PolarHBondContact O-N 3.22Å; S46-N48 PolarHBondContact O-N 3.36Å
47	S	46.9	Very low	49.2	Very low	92 Å²	92	111.8 Å²	111.8	64%	0.643	67%	0.671	S	S	*	*			trans	-84	92.9	174.8	49.9	0	0	0	0	110.7
48	N	43.9	Very low	48.7	Very low	150 Å²	150	119.2 Å²	119.2	80%	0.802	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-61.7	148.1	168.8	-83.4	-45.5	0	0	0	111.6	S46	S46-N48 PolarHBondContact O-N 3.36Å
49	P	51.4	Low	48.5	Very low	110 Å²	110	120 Å²	120	71%	0.714	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-93.2	149.5	-164.4	36.1	-32.8	0	0	0	112.8
50	P	43.8	Very low	48.8	Very low	124 Å²	124	124.4 Å²	124.4	81%	0.805	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-94.8	136.4	150.6	29.8	-18.4	0	0	0	110.7
51	T	41.6	Very low	49.4	Very low	133 Å²	133	129.3 Å²	129.3	82%	0.816	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-61.8	150.3	170.4	-22.9	0	0	0	0	110.6
52	K	41.7	Very low	50.6	Low	203 Å²	203	125.8 Å²	125.8	88%	0.883	72%	0.718	S	S	*	*			trans	74.6	77.1	172.1	-64	-178.2	176.1	-179.1	0	117.4
53	A	34.8	Very low	52.4	Low	87 Å²	87	122 Å²	122	72%	0.719	71%	0.709	S	S	*	*				-176.2	136	107.5	0	0	0	0	0	105.5	Q55	A53-Q55 PolarHBondContact O-N 3.29Å
54	S	45.4	Very low	54.4	Low	111 Å²	111	123.1 Å²	123.1	78%	0.776	71%	0.711	S	S	*	*			trans	-67.4	70.7	166.5	175.8	0	0	0	0	108.6	S56	S54-S56 PolarHBondContact O-N 3.47Å
55	Q	46	Very low	56.5	Low	182 Å²	182	117.8 Å²	117.8	85%	0.85	68%	0.684	S	S	*	*			trans	-76.5	86.9	155.3	-102.2	176.9	-1.7	0	0	105.1	A53 A57	A53-Q55 PolarHBondContact O-N 3.29Å; Q55-A57 PolarHBondContact O-N 2.83Å; Q55-A57 VanDerWaalsContact O-N 3.1Å
56	S	54.8	Low	58.8	Low	66 Å²	66	116.6 Å²	116.6	46%	0.462	67%	0.673	S	S	.	*			trans	-41.4	121.8	149.3	53.2	0	0	0	0	105.6	S54 R58	S54-S56 PolarHBondContact O-N 3.47Å; S56-R58 PolarHBondContact O-N 3.43Å
57	A	48.2	Very low	61.4	Low	94 Å²	94	114.7 Å²	114.7	78%	0.777	66%	0.655	S	S	*	*			trans	-50.3	103.1	163	0	0	0	0	0	104.9	Q55 I59	Q55-A57 PolarHBondContact O-N 2.83Å; Q55-A57 VanDerWaalsContact O-N 3.1Å; A57-I59 VanDerWaalsContact C-N 3.25Å; A57-I59 PolarHBondContact O-N 2.72Å
58	R	49	Very low	63.8	Low	218 Å²	218	113.7 Å²	113.7	82%	0.823	64%	0.64	S	S	*	*			trans	-63.1	104.3	174.2	-91.8	-173.3	-173.3	-164.3	-0.1	102.6	S56 T60	S56-R58 PolarHBondContact O-N 3.43Å; R58-T60 VanDerWaalsContact C-N 3.33Å; R58-T60 PolarHBondContact O-N 2.73Å
59	I	57.1	Low	66.2	Low	119 Å²	119	112.8 Å²	112.8	61%	0.61	63%	0.631	S	S	*	*			trans	-50.9	112.1	159.9	-61	170.2	0	0	0	103	A57 D61 C62	A57-I59 VanDerWaalsContact C-N 3.25Å; A57-I59 PolarHBondContact O-N 2.72Å; I59-D61 PolarHBondContact O-N 2.83Å; I59-C62 HydrophobicContact CB-CB 4.09Å; I59-C62 HydrophobicContact CG2-CB 4.16Å; I59-C62 PolarHBondContact O-N 3.1Å
60	T	58.9	Low	68.2	Low	142 Å²	142	108.6 Å²	108.6	87%	0.871	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-18.4	-172.5	-49.3	0	0	0	0	111.9	R58	R58-T60 VanDerWaalsContact C-N 3.33Å; R58-T60 PolarHBondContact O-N 2.73Å
61	D	70.6	Confident	70.5	Confident	152 Å²	152	108.8 Å²	108.8	81%	0.813	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.7	8.7	-177.6	-84	-27.3	0	0	0	116.6	I59	I59-D61 PolarHBondContact O-N 2.83Å
62	C	82.4	Confident	72.8	Confident	47 Å²	47	108.8 Å²	108.8	32%	0.318	59%	0.593	S	S	.	*			trans	-106.3	114.7	177.8	-149.6	0	0	0	0	114.5	I59 C86	I59-C62 HydrophobicContact CB-CB 4.09Å; I59-C62 HydrophobicContact CG2-CB 4.16Å; I59-C62 PolarHBondContact O-N 3.1Å; C62-C86 HydrophobicContact CB-CB 3.67Å; C62-C86 WeakPolarHBondContact CB-SG 3.49Å; C62-C86 WeakPolarHBondContact SG-CB 2.97Å; C62-C86 CovalentContact SG-SG 1.98Å; C62-C86 PolarHBondContact SG-SG 2.94Å
63	P	90.2	Very high	75.1	Confident	72 Å²	72	101.4 Å²	101.4	47%	0.468	56%	0.561	S	S	.	*			trans	-66.6	147.7	175.3	28.4	-34	0	0	0	110.5	G85 C86	P63-G85 CarbonylContact O-C 3.47Å; P63-G85 WeakPolarHBondContact O-CA 3.4Å; P63-C86 PolarHBondContact O-N 2.94Å
64	E	93	Very high	77.9	Confident	158 Å²	158	98.4 Å²	98.4	74%	0.738	54%	0.535	S	S	*	.	B	Isolated β-bridge	trans	-62.6	150	174.3	-172	167.6	-173.1	0	0	111.1	T66	E64-T66 PolarHBondContact O-N 2.86Å
65	C	96.3	Very high	79.9	Confident	20 Å²	20	97.9 Å²	97.9	14%	0.135	52%	0.52	C	S	.	.	S	Bend	trans	-56.9	111.5	176.5	176.4	0	0	0	0	111.5	C86 C115	C65-C86 PolarHBondContact N-O 3.49Å; C65-C115 VanDerWaalsContact CA-SG 3.52Å; C65-C115 HydrophobicContact CB-CB 3.7Å; C65-C115 WeakPolarHBondContact CB-SG 3.48Å; C65-C115 WeakPolarHBondContact SG-CA 3.38Å; C65-C115 WeakPolarHBondContact SG-CB 3.49Å; C65-C115 CovalentContact SG-SG 2.03Å; C65-C115 PolarHBondContact SG-SG 2.66Å
66	T	96.6	Very high	81.9	Confident	73 Å²	73	95.4 Å²	95.4	45%	0.448	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	173.8	-176.6	-167	0	0	0	0	111.5	E64 Q68 C83 M84	E64-T66 PolarHBondContact O-N 2.86Å; T66-Q68 HydrophobicContact CG2-CG 4.29Å; T66-C83 WeakPolarHBondContact O-CA 3.13Å; T66-M84 PolarHBondContact N-O 3.04Å; T66-M84 PolarHBondContact O-N 3.21Å
67	L	97.6	Very high	83.5	Confident	56 Å²	56	96.4 Å²	96.4	29%	0.293	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131.3	171.9	-68.5	165.2	0	0	0	109.7	L81 H134 C137	L67-L81 HydrophobicContact CB-CD1 4.44Å; L67-L81 HydrophobicContact CD1-CD1 4.18Å; L67-L81 HydrophobicContact CD2-CB 4.02Å; L67-H134 HydrophobicContact CD2-CB 3.61Å; L67-H134 WeakPolarHBondContact CD2-O 3.49Å; L67-C137 WeakPolarHBondContact CD2-SG 3.05Å
68	Q	96	Very high	85.4	Confident	70 Å²	70	94.6 Å²	94.6	33%	0.327	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.8	173.2	-63.9	-167.5	17.6	0	0	110.1	T66 L81 Q82 M84	T66-Q68 HydrophobicContact CG2-CG 4.29Å; Q68-L81 CarbonylContact O-C 3.28Å; Q68-L81 WeakPolarHBondContact O-CA 3.48Å; Q68-Q82 PolarHBondContact N-O 3.21Å; Q68-Q82 PolarHBondContact O-N 3.13Å; Q68-M84 HydrophobicContact CB-CB 4.25Å; Q68-M84 HydrophobicContact CB-CG 4.44Å; Q68-M84 HydrophobicContact CB-SD 4.23Å; Q68-M84 HydrophobicContact CG-CB 4.03Å
69	E	95.4	Very high	87.6	Confident	131 Å²	131	86.8 Å²	86.8	61%	0.612	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	133.8	176.9	-67.8	-175	179.8	0	0	111	P71 P79 L81	E69-P71 WeakPolarHBondContact O-CD 3.46Å; E69-P79 HydrophobicContact CG-CB 4.16Å; E69-L81 HydrophobicContact CG-CD2 3.82Å
70	N	93.4	Very high	89.4	Confident	22 Å²	22	81.8 Å²	81.8	12%	0.118	48%	0.478	C	S	.	.			trans	-79.8	119	173.8	-176.3	-58.9	0	0	0	109.1	F72 F73 S74 I80 Q82	N70-F72 PolarHBondContact O-N 3.35Å; N70-F72 WeakPolarHBondContact OD1-CB 3.42Å; N70-F72 PolarHBondContact OD1-N 2.89Å; N70-F73 PolarHBondContact OD1-N 3.33Å; N70-F73 VanDerWaalsContact OD1-N 3.11Å; N70-S74 WeakPolarHBondContact O-CB 3Å; N70-S74 PolarHBondContact O-N 2.99Å; N70-S74 VanDerWaalsContact O-N 3.1Å; N70-S74 PolarHBondContact O-OG 2.95Å; N70-I80 HydrophobicContact CB-CG2 4.49Å; N70-I80 WeakPolarHBondContact CB-O 3.06Å; N70-I80 PolarHBondContact N-O 3.19Å; N70-Q82 PolarHBondContact ND2-OE1 3.25Å
71	P	90.8	Very high	91.2	Very high	128 Å²	128	77.3 Å²	77.3	83%	0.831	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18	-174.1	28.1	-35.7	0	0	0	113.8	E69	E69-P71 WeakPolarHBondContact O-CD 3.46Å
72	F	90.3	Very high	92.5	Very high	134 Å²	134	73.8 Å²	73.8	59%	0.588	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-42.1	-176.4	-175.9	-98.5	0	0	0	112.4	N70 M126	N70-F72 PolarHBondContact O-N 3.35Å; N70-F72 WeakPolarHBondContact OD1-CB 3.42Å; N70-F72 PolarHBondContact OD1-N 2.89Å; F72-M126 HydrophobicContact CE1-SD 4.49Å
73	F	90.8	Very high	93.1	Very high	48 Å²	48	72.1 Å²	72.1	21%	0.211	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-17.9	-175.8	-64.1	-63.8	0	0	0	114	N70 I80 V125 V131	N70-F73 PolarHBondContact OD1-N 3.33Å; N70-F73 VanDerWaalsContact OD1-N 3.11Å; F73-I80 HydrophobicContact CB-CB 4.02Å; F73-I80 HydrophobicContact CB-CG1 3.91Å; F73-I80 HydrophobicContact CB-CG2 4.17Å; F73-I80 WeakPolarHBondContact O-CG1 3.41Å; F73-V125 HydrophobicContact CB-CG1 4.15Å; F73-V125 HydrophobicContact CD1-CG1 4.13Å; F73-V125 WeakPolarHBondContact O-CG1 3.42Å; F73-V131 HydrophobicContact CD1-CG1 4.09Å; F73-V131 HydrophobicContact CD2-CG1 4.23Å; F73-V131 HydrophobicContact CE1-CG1 3.96Å; F73-V131 HydrophobicContact CE2-CG1 4.12Å; F73-V131 HydrophobicContact CG-CG1 4.23Å; F73-V131 HydrophobicContact CZ-CG1 3.98Å
74	S	92.3	Very high	93.4	Very high	24 Å²	24	72.7 Å²	72.7	17%	0.168	41%	0.413	C	S	.	.			trans	-70.9	138	179.7	-60.8	0	0	0	0	111.7	N70 I80	N70-S74 WeakPolarHBondContact O-CB 3Å; N70-S74 PolarHBondContact O-N 2.99Å; N70-S74 VanDerWaalsContact O-N 3.1Å; N70-S74 PolarHBondContact O-OG 2.95Å; S74-I80 PolarHBondContact OG-N 2.81Å; S74-I80 PolarHBondContact OG-O 3.35Å
75	Q	88.4	Confident	93.4	Very high	100 Å²	100	66.7 Å²	66.7	47%	0.467	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-121.9	156.3	174.3	-63.9	-66.1	-36	0	0	109.7	G77 A78	Q75-G77 PolarHBondContact O-N 2.83Å; Q75-G77 VanDerWaalsContact O-N 3.11Å; Q75-A78 PolarHBondContact N-O 2.89Å; Q75-A78 VanDerWaalsContact N-O 3.14Å; Q75-A78 CarbonylContact O-C 3.54Å; Q75-A78 VanDerWaalsContact O-C 3.28Å; Q75-A78 PolarHBondContact O-N 3.26Å
76	P	88.4	Confident	93.3	Very high	130 Å²	130	68 Å²	68	84%	0.844	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	119.3	176.1	-25.3	34.6	0	0	0	111.6	A78	P76-A78 VanDerWaalsContact C-N 3.3Å; P76-A78 PolarHBondContact O-N 3.43Å
77	G	87.5	Confident	93.1	Very high	87 Å²	87	65.8 Å²	65.8	90%	0.897	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-4.5	-177.6	0	0	0	0	0	115.7	Q75	Q75-G77 PolarHBondContact O-N 2.83Å; Q75-G77 VanDerWaalsContact O-N 3.11Å
78	A	89.1	Confident	92.9	Very high	56 Å²	56	67.3 Å²	67.3	46%	0.463	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-136.7	72.3	175.1	0	0	0	0	0	110.7	Q75 P76	Q75-A78 PolarHBondContact N-O 2.89Å; Q75-A78 VanDerWaalsContact N-O 3.14Å; Q75-A78 CarbonylContact O-C 3.54Å; Q75-A78 VanDerWaalsContact O-C 3.28Å; Q75-A78 PolarHBondContact O-N 3.26Å; P76-A78 VanDerWaalsContact C-N 3.3Å; P76-A78 PolarHBondContact O-N 3.43Å
79	P	93.6	Very high	92.7	Very high	54 Å²	54	68.2 Å²	68.2	35%	0.351	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-71.3	138	178.4	29.9	-33.8	0	0	0	111.1	E69 L81 N133	E69-P79 HydrophobicContact CG-CB 4.16Å; P79-L81 HydrophobicContact CB-CD2 4.47Å; P79-N133 PolarHBondContact O-ND2 3.26Å
80	I	95.8	Very high	92.5	Very high	14 Å²	14	68 Å²	68	7%	0.072	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-102.6	117	172	-58.6	-57.2	0	0	0	107.5	N70 F73 S74 V123 V125 V131 N133	N70-I80 HydrophobicContact CB-CG2 4.49Å; N70-I80 WeakPolarHBondContact CB-O 3.06Å; N70-I80 PolarHBondContact N-O 3.19Å; F73-I80 HydrophobicContact CB-CB 4.02Å; F73-I80 HydrophobicContact CB-CG1 3.91Å; F73-I80 HydrophobicContact CB-CG2 4.17Å; F73-I80 WeakPolarHBondContact O-CG1 3.41Å; S74-I80 PolarHBondContact OG-N 2.81Å; S74-I80 PolarHBondContact OG-O 3.35Å; I80-V123 HydrophobicContact CD1-CG2 3.66Å; I80-V125 HydrophobicContact CD1-CG2 3.83Å; I80-V125 HydrophobicContact CG1-CG2 4.08Å; I80-V131 HydrophobicContact CG2-CG2 4.21Å; I80-N133 HydrophobicContact CD1-CB 4.45Å
81	L	96.5	Very high	92.5	Very high	47 Å²	47	70.5 Å²	70.5	25%	0.246	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	143.6	-175.7	-54.8	178.2	0	0	0	110.9	L67 Q68 E69 P79 N133 H134	L67-L81 HydrophobicContact CB-CD1 4.44Å; L67-L81 HydrophobicContact CD1-CD1 4.18Å; L67-L81 HydrophobicContact CD2-CB 4.02Å; Q68-L81 CarbonylContact O-C 3.28Å; Q68-L81 WeakPolarHBondContact O-CA 3.48Å; E69-L81 HydrophobicContact CG-CD2 3.82Å; P79-L81 HydrophobicContact CB-CD2 4.47Å; L81-N133 WeakPolarHBondContact CB-OD1 3.49Å; L81-N133 PolarHBondContact N-OD1 3.44Å; L81-H134 WeakPolarHBondContact CB-O 3.43Å; L81-H134 WeakPolarHBondContact O-CB 3.17Å; L81-H134 PolarHBondContact O-N 2.9Å
82	Q	97.1	Very high	92.6	Very high	79 Å²	79	67.6 Å²	67.6	37%	0.369	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147	177.3	-171	169.3	-15.3	0	0	110	Q68 N70 M84	Q68-Q82 PolarHBondContact N-O 3.21Å; Q68-Q82 PolarHBondContact O-N 3.13Å; N70-Q82 PolarHBondContact ND2-OE1 3.25Å; Q82-M84 HydrophobicContact CG-CG 4.49Å; Q82-M84 PolarHBondContact O-N 3.01Å
83	C	96.8	Very high	92.9	Very high	12 Å²	12	66.2 Å²	66.2	8%	0.081	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.2	178.3	-68.9	0	0	0	0	108.9	T66 H134 C137	T66-C83 WeakPolarHBondContact O-CA 3.13Å; C83-H134 PolarHBondContact N-ND1 3.47Å; C83-H134 PolarHBondContact SG-ND1 3.31Å; C83-C137 WeakPolarHBondContact CA-SG 3.3Å; C83-C137 HydrophobicContact CB-CB 3.81Å; C83-C137 WeakPolarHBondContact CB-SG 3.42Å; C83-C137 WeakPolarHBondContact SG-CA 3.31Å; C83-C137 WeakPolarHBondContact SG-CB 3.03Å; C83-C137 CovalentContact SG-SG 2.03Å; C83-C137 PolarHBondContact SG-SG 3.27Å
84	M	94.9	Very high	93.1	Very high	84 Å²	84	64.3 Å²	64.3	41%	0.414	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.1	-179.1	-65	-175.3	65	0	0	110.1	T66 Q68 Q82	T66-M84 PolarHBondContact N-O 3.04Å; T66-M84 PolarHBondContact O-N 3.21Å; Q68-M84 HydrophobicContact CB-CB 4.25Å; Q68-M84 HydrophobicContact CB-CG 4.44Å; Q68-M84 HydrophobicContact CB-SD 4.23Å; Q68-M84 HydrophobicContact CG-CB 4.03Å; Q82-M84 HydrophobicContact CG-CG 4.49Å; Q82-M84 PolarHBondContact O-N 3.01Å
85	G	93.8	Very high	93.3	Very high	31 Å²	31	66 Å²	66	32%	0.32	41%	0.405	S	S	.	.	S	Bend	trans	130.1	-178.1	179.8	0	0	0	0	0	112.3	P63	P63-G85 CarbonylContact O-C 3.47Å; P63-G85 WeakPolarHBondContact O-CA 3.4Å
86	C	93.3	Very high	93.6	Very high	48 Å²	48	67.7 Å²	67.7	32%	0.324	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-90.9	149	-178.8	-87.5	0	0	0	0	113.1	C62 P63 C65	C62-C86 HydrophobicContact CB-CB 3.67Å; C62-C86 WeakPolarHBondContact CB-SG 3.49Å; C62-C86 WeakPolarHBondContact SG-CB 2.97Å; C62-C86 CovalentContact SG-SG 1.98Å; C62-C86 PolarHBondContact SG-SG 2.94Å; P63-C86 PolarHBondContact O-N 2.94Å; C65-C86 PolarHBondContact N-O 3.49Å
87	C	94.3	Very high	93.9	Very high	26 Å²	26	71.8 Å²	71.8	18%	0.176	42%	0.415	C	S	.	.			trans	-129.1	168.8	169.8	-75.4	0	0	0	0	109.5	S89 T113 C114 C115 C139	C87-S89 PolarHBondContact O-N 3.34Å; C87-T113 WeakPolarHBondContact CB-O 3.49Å; C87-T113 WeakPolarHBondContact CB-OG1 3.25Å; C87-C114 VanDerWaalsContact SG-C 3.54Å; C87-C115 VanDerWaalsContact SG-CA 3.53Å; C87-C115 PolarHBondContact SG-N 3.13Å; C87-C139 VanDerWaalsContact CA-SG 3.52Å; C87-C139 HydrophobicContact CB-CB 3.69Å; C87-C139 WeakPolarHBondContact CB-SG 3.25Å; C87-C139 WeakPolarHBondContact SG-CA 3.22Å; C87-C139 WeakPolarHBondContact SG-CB 3.37Å; C87-C139 CovalentContact SG-SG 2.03Å; C87-C139 PolarHBondContact SG-SG 3.31Å
88	F	92.3	Very high	94.2	Very high	88 Å²	88	69.9 Å²	69.9	39%	0.386	39%	0.388	S	S	.	.			trans	-64	133.5	-177	175.9	-99.5	0	0	0	111.8	R90 T113	F88-R90 HydrophobicContact CE1-CB 4.46Å; F88-R90 HydrophobicContact CE1-CG 3.76Å; F88-R90 HydrophobicContact CZ-CB 4.08Å; F88-R90 HydrophobicContact CZ-CG 3.63Å; F88-T113 PolarHBondContact N-OG1 2.9Å; F88-T113 VanDerWaalsContact N-OG1 3.16Å; F88-T113 PolarHBondContact O-N 3.33Å; F88-T113 PolarHBondContact O-OG1 2.93Å
89	S	91.7	Very high	94.4	Very high	89 Å²	89	69.3 Å²	69.3	62%	0.622	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	145.7	166.8	62.9	0	0	0	0	111	C87 E111	C87-S89 PolarHBondContact O-N 3.34Å; S89-E111 CarbonylContact C-O 3.56Å; S89-E111 WeakPolarHBondContact CA-O 3.35Å
90	R	91.3	Very high	94.5	Very high	128 Å²	128	75.4 Å²	75.4	48%	0.483	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	154.5	172.7	62.7	171.1	171.5	-177.7	6.7	111.4	F88 Y92 S110 E111	F88-R90 HydrophobicContact CE1-CB 4.46Å; F88-R90 HydrophobicContact CE1-CG 3.76Å; F88-R90 HydrophobicContact CZ-CB 4.08Å; F88-R90 HydrophobicContact CZ-CG 3.63Å; R90-Y92 HydrophobicContact CG-CD1 4.24Å; R90-Y92 HydrophobicContact CG-CE1 4.38Å; R90-S110 WeakPolarHBondContact O-CA 3.33Å; R90-E111 HydrophobicContact CG-CB 4.06Å; R90-E111 IonicContact CZ-OE2 2.68Å; R90-E111 PolarHBondContact N-O 2.94Å; R90-E111 IonicContact NE-OE2 3.56Å; R90-E111 PolarHBondContact NE-OE2 3.15Å; R90-E111 IonicContact NH2-OE1 3.15Å; R90-E111 IonicContact NH2-OE2 2.8Å; R90-E111 PolarHBondContact NH2-OE2 2.9Å; R90-E111 PolarHBondContact O-N 3.33Å
91	A	93.8	Very high	94.5	Very high	73 Å²	73	80.4 Å²	80.4	60%	0.603	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.1	168.9	0	0	0	0	0	109.4	V108 T109	A91-V108 HydrophobicContact CB-CG1 4.09Å; A91-T109 WeakPolarHBondContact CA-O 3.38Å
92	Y	92.8	Very high	94.4	Very high	68 Å²	68	81.2 Å²	81.2	27%	0.267	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	160.3	179.6	56.7	-93.7	0	0	0	110.9	R90 T94 P95 T109 E111	R90-Y92 HydrophobicContact CG-CD1 4.24Å; R90-Y92 HydrophobicContact CG-CE1 4.38Å; Y92-T94 PolarHBondContact O-N 2.92Å; Y92-P95 HydrophobicContact CE2-CG 4.45Å; Y92-T109 HydrophobicContact CE1-CG2 4.46Å; Y92-T109 HydrophobicContact CE2-CG2 4.17Å; Y92-T109 PolarHBondContact N-O 3.31Å; Y92-T109 PolarHBondContact O-N 2.92Å; Y92-E111 HydrophobicContact CE1-CG 4.07Å; Y92-E111 WeakPolarHBondContact CE1-OE1 3.14Å; Y92-E111 PolarHBondContact OH-OE1 3.48Å
93	P	96.2	Very high	94.4	Very high	105 Å²	105	86.2 Å²	86.2	68%	0.682	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.3	128.7	177	-23.9	34.4	0	0	0	111.5	P95 N107	P93-P95 WeakPolarHBondContact O-CD 3.37Å; P93-N107 WeakPolarHBondContact CA-O 3.01Å
94	T	95.3	Very high	94.3	Very high	8 Å²	8	90.7 Å²	90.7	5%	0.049	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-61.4	123.8	-178.7	-55	0	0	0	0	110.4	Y92 K99 M102 K106 N107 V108 T109	Y92-T94 PolarHBondContact O-N 2.92Å; T94-K99 HydrophobicContact CG2-CG 3.59Å; T94-K99 VanDerWaalsContact O-CE 3.31Å; T94-K99 WeakPolarHBondContact O-CE 2.91Å; T94-M102 HydrophobicContact CG2-CE 3.47Å; T94-M102 VanDerWaalsContact CG2-CE 3.47Å; T94-M102 HydrophobicContact CG2-SD 4.29Å; T94-K106 WeakPolarHBondContact CB-O 3.39Å; T94-K106 PolarHBondContact OG1-O 3.06Å; T94-N107 PolarHBondContact N-O 3.34Å; T94-N107 VanDerWaalsContact OG1-C 3.29Å; T94-N107 PolarHBondContact OG1-O 3.4Å; T94-V108 WeakPolarHBondContact OG1-CA 3.35Å; T94-V108 PolarHBondContact OG1-N 2.88Å; T94-V108 PolarHBondContact OG1-O 2.82Å; T94-T109 WeakPolarHBondContact CB-OG1 3.31Å; T94-T109 WeakPolarHBondContact CG2-OG1 3.5Å; T94-T109 PolarHBondContact OG1-N 3.33Å; T94-T109 PolarHBondContact OG1-OG1 3.39Å
95	P	96.1	Very high	94.2	Very high	60 Å²	60	93.3 Å²	93.3	39%	0.39	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-57.9	144	176.6	-24.6	33.8	0	0	0	112	Y92 P93 R97 S98 K99	Y92-P95 HydrophobicContact CE2-CG 4.45Å; P93-P95 WeakPolarHBondContact O-CD 3.37Å; P95-R97 PolarHBondContact O-N 3.25Å; P95-R97 VanDerWaalsContact O-N 3.14Å; P95-S98 PolarHBondContact O-N 3.43Å; P95-K99 PolarHBondContact O-N 3.38Å
96	L	94.8	Very high	94.1	Very high	135 Å²	135	98 Å²	98	71%	0.707	51%	0.509	S	S	*	.	H	α-helix	trans	-55.7	-34.5	179.2	-68.7	174.8	0	0	0	112.4	K99 K100	L96-K99 PolarHBondContact O-N 2.99Å; L96-K100 WeakPolarHBondContact O-CG 3.38Å; L96-K100 PolarHBondContact O-N 3.49Å; L96-K100 VanDerWaalsContact O-N 3.13Å
97	R	95.4	Very high	94.2	Very high	215 Å²	215	101.1 Å²	101.1	81%	0.811	52%	0.522	S	S	*	.	H	α-helix	trans	-59.3	-46.9	175.2	-176.3	178.1	178.4	174	-0.1	111.8	P95 K100	P95-R97 PolarHBondContact O-N 3.25Å; P95-R97 VanDerWaalsContact O-N 3.14Å; R97-K100 PolarHBondContact O-N 2.97Å
98	S	93.4	Very high	94.2	Very high	47 Å²	47	104.3 Å²	104.3	33%	0.329	54%	0.541	S	S	.	.	H	α-helix	trans	-70.7	-35.7	178.7	-49.9	0	0	0	0	111.6	P95 K100 T101 M102	P95-S98 PolarHBondContact O-N 3.43Å; S98-K100 VanDerWaalsContact C-N 3.29Å; S98-K100 PolarHBondContact O-N 3.49Å; S98-T101 PolarHBondContact O-N 3.07Å; S98-T101 PolarHBondContact O-OG1 2.96Å; S98-M102 WeakPolarHBondContact O-CG 3.42Å; S98-M102 PolarHBondContact O-N 2.78Å
99	K	94.4	Very high	94.2	Very high	44 Å²	44	101.6 Å²	101.6	19%	0.191	53%	0.531	C	S	.	.	H	α-helix	trans	-60.1	-37.5	175.1	-71.2	-171.4	-178.5	-174.2	0	112.7	T94 P95 L96 T101 M102 N107	T94-K99 HydrophobicContact CG2-CG 3.59Å; T94-K99 VanDerWaalsContact O-CE 3.31Å; T94-K99 WeakPolarHBondContact O-CE 2.91Å; P95-K99 PolarHBondContact O-N 3.38Å; L96-K99 PolarHBondContact O-N 2.99Å; K99-T101 PolarHBondContact O-N 2.65Å; K99-M102 PolarHBondContact O-N 3.03Å; K99-N107 PolarHBondContact NZ-OD1 3.49Å
100	K	95.3	Very high	94.2	Very high	182 Å²	182	101.2 Å²	101.2	79%	0.791	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-25.2	179.3	-74.1	178.8	-178.3	-173.8	0	113.5	L96 R97 S98	L96-K100 WeakPolarHBondContact O-CG 3.38Å; L96-K100 PolarHBondContact O-N 3.49Å; L96-K100 VanDerWaalsContact O-N 3.13Å; R97-K100 PolarHBondContact O-N 2.97Å; S98-K100 VanDerWaalsContact C-N 3.29Å; S98-K100 PolarHBondContact O-N 3.49Å
101	T	95.6	Very high	94.3	Very high	120 Å²	120	98.4 Å²	98.4	74%	0.736	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-5.6	-179.2	61.5	0	0	0	0	113.3	S98 K99	S98-T101 PolarHBondContact O-N 3.07Å; S98-T101 PolarHBondContact O-OG1 2.96Å; K99-T101 PolarHBondContact O-N 2.65Å
102	M	94.3	Very high	94.2	Very high	63 Å²	63	96.8 Å²	96.8	31%	0.31	51%	0.505	S	S	.	.			trans	-88.7	128.6	-179.8	-68.2	174.5	-164.9	0	0	110.7	T94 S98 K99 V104 K106	T94-M102 HydrophobicContact CG2-CE 3.47Å; T94-M102 VanDerWaalsContact CG2-CE 3.47Å; T94-M102 HydrophobicContact CG2-SD 4.29Å; S98-M102 WeakPolarHBondContact O-CG 3.42Å; S98-M102 PolarHBondContact O-N 2.78Å; K99-M102 PolarHBondContact O-N 3.03Å; M102-V104 VanDerWaalsContact C-N 3.31Å; M102-K106 HydrophobicContact SD-CB 4.17Å
103	L	96.3	Very high	94.3	Very high	185 Å²	185	95.8 Å²	95.8	97%	0.969	51%	0.506	S	S	*	.	S	Bend	trans	-61.8	-41.4	170.3	-69.7	172.5	0	0	0	111.6
104	V	95.9	Very high	94.3	Very high	106 Å²	106	92.8 Å²	92.8	64%	0.642	49%	0.487	S	S	*	.	S	Bend	trans	-114.8	111	174.1	180	0	0	0	0	108	M102 K106	M102-V104 VanDerWaalsContact C-N 3.31Å; V104-K106 PolarHBondContact O-N 3.3Å
105	Q	92.2	Very high	94.4	Very high	139 Å²	139	93.7 Å²	93.7	65%	0.65	49%	0.494	S	S	*	.			trans	-64.7	132.4	-176.2	-65.5	-178	-8.4	0	0	111.4
106	K	92.6	Very high	94.4	Very high	129 Å²	129	92.9 Å²	92.9	56%	0.561	49%	0.488	S	S	*	.			trans	-117.3	130.6	171.7	-62.4	-65.8	-175.6	176.8	0	109.5	T94 M102 V104	T94-K106 WeakPolarHBondContact CB-O 3.39Å; T94-K106 PolarHBondContact OG1-O 3.06Å; M102-K106 HydrophobicContact SD-CB 4.17Å; V104-K106 PolarHBondContact O-N 3.3Å
107	N	95	Very high	94.5	Very high	113 Å²	113	87.9 Å²	87.9	60%	0.604	47%	0.465	S	S	*	.	S	Bend	trans	-79.4	-21	-179.9	-73.9	-23.6	0	0	0	113.5	P93 T94 K99	P93-N107 WeakPolarHBondContact CA-O 3.01Å; T94-N107 PolarHBondContact N-O 3.34Å; T94-N107 VanDerWaalsContact OG1-C 3.29Å; T94-N107 PolarHBondContact OG1-O 3.4Å; K99-N107 PolarHBondContact NZ-OD1 3.49Å
108	V	94.1	Very high	94.6	Very high	94 Å²	94	84.9 Å²	84.9	57%	0.57	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.7	135.5	-179.8	-179.1	0	0	0	0	108.8	A91 T94	A91-V108 HydrophobicContact CB-CG1 4.09Å; T94-V108 WeakPolarHBondContact OG1-CA 3.35Å; T94-V108 PolarHBondContact OG1-N 2.88Å; T94-V108 PolarHBondContact OG1-O 2.82Å
109	T	92.1	Very high	94.8	Very high	31 Å²	31	84.9 Å²	84.9	19%	0.19	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.7	169.2	-62.3	0	0	0	0	108.1	A91 Y92 T94	A91-T109 WeakPolarHBondContact CA-O 3.38Å; Y92-T109 HydrophobicContact CE1-CG2 4.46Å; Y92-T109 HydrophobicContact CE2-CG2 4.17Å; Y92-T109 PolarHBondContact N-O 3.31Å; Y92-T109 PolarHBondContact O-N 2.92Å; T94-T109 WeakPolarHBondContact CB-OG1 3.31Å; T94-T109 WeakPolarHBondContact CG2-OG1 3.5Å; T94-T109 PolarHBondContact OG1-N 3.33Å; T94-T109 PolarHBondContact OG1-OG1 3.39Å
110	S	92.2	Very high	94.9	Very high	81 Å²	81	87.2 Å²	87.2	57%	0.566	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.3	171.9	53.9	0	0	0	0	110.3	R90	R90-S110 WeakPolarHBondContact O-CA 3.33Å
111	E	91.8	Very high	95	Very high	68 Å²	68	83.3 Å²	83.3	32%	0.318	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.9	169.9	-70.8	175	-166.2	0	0	107.7	S89 R90 Y92	S89-E111 CarbonylContact C-O 3.56Å; S89-E111 WeakPolarHBondContact CA-O 3.35Å; R90-E111 HydrophobicContact CG-CB 4.06Å; R90-E111 IonicContact CZ-OE2 2.68Å; R90-E111 PolarHBondContact N-O 2.94Å; R90-E111 IonicContact NE-OE2 3.56Å; R90-E111 PolarHBondContact NE-OE2 3.15Å; R90-E111 IonicContact NH2-OE1 3.15Å; R90-E111 IonicContact NH2-OE2 2.8Å; R90-E111 PolarHBondContact NH2-OE2 2.9Å; R90-E111 PolarHBondContact O-N 3.33Å; Y92-E111 HydrophobicContact CE1-CG 4.07Å; Y92-E111 WeakPolarHBondContact CE1-OE1 3.14Å; Y92-E111 PolarHBondContact OH-OE1 3.48Å
112	S	92.4	Very high	95.1	Very high	40 Å²	40	85.6 Å²	85.6	28%	0.28	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.7	-177.7	57.5	0	0	0	0	111.6
113	T	95.5	Very high	95	Very high	46 Å²	46	84.7 Å²	84.7	28%	0.282	45%	0.448	S	S	.	.			trans	-124.7	148.1	167.3	55.1	0	0	0	0	108.4	C87 F88 S140	C87-T113 WeakPolarHBondContact CB-O 3.49Å; C87-T113 WeakPolarHBondContact CB-OG1 3.25Å; F88-T113 PolarHBondContact N-OG1 2.9Å; F88-T113 VanDerWaalsContact N-OG1 3.16Å; F88-T113 PolarHBondContact O-N 3.33Å; F88-T113 PolarHBondContact O-OG1 2.93Å; T113-S140 CarbonylContact C-O 3.5Å; T113-S140 WeakPolarHBondContact CA-O 3.49Å
114	C	95.6	Very high	94.9	Very high	42 Å²	42	80.5 Å²	80.5	28%	0.284	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	146.5	-177.1	-74.3	0	0	0	0	110.2	C87 V116 C139 S140 C142	C87-C114 VanDerWaalsContact SG-C 3.54Å; C114-V116 HydrophobicContact CB-CG1 4.3Å; C114-V116 PolarHBondContact O-N 2.99Å; C114-C139 WeakPolarHBondContact O-CA 3.43Å; C114-S140 PolarHBondContact N-O 2.87Å; C114-S140 PolarHBondContact O-N 3Å; C114-C142 HydrophobicContact CB-CB 3.93Å; C114-C142 WeakPolarHBondContact CB-SG 3.31Å; C114-C142 PolarHBondContact N-SG 3.49Å; C114-C142 WeakPolarHBondContact SG-CB 3.41Å; C114-C142 CovalentContact SG-SG 2.03Å; C114-C142 PolarHBondContact SG-SG 3.4Å
115	C	96.6	Very high	94.5	Very high	28 Å²	28	76.3 Å²	76.3	19%	0.189	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	111.6	175.2	-172.8	0	0	0	0	109	C65 C87	C65-C115 VanDerWaalsContact CA-SG 3.52Å; C65-C115 HydrophobicContact CB-CB 3.7Å; C65-C115 WeakPolarHBondContact CB-SG 3.48Å; C65-C115 WeakPolarHBondContact SG-CA 3.38Å; C65-C115 WeakPolarHBondContact SG-CB 3.49Å; C65-C115 CovalentContact SG-SG 2.03Å; C65-C115 PolarHBondContact SG-SG 2.66Å; C87-C115 VanDerWaalsContact SG-CA 3.53Å; C87-C115 PolarHBondContact SG-N 3.13Å
116	V	96.7	Very high	93.8	Very high	43 Å²	43	74.3 Å²	74.3	26%	0.261	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	161	-177.3	-60.8	0	0	0	0	110.9	C114 K118 C137 H138	C114-V116 HydrophobicContact CB-CG1 4.3Å; C114-V116 PolarHBondContact O-N 2.99Å; V116-K118 PolarHBondContact O-N 2.95Å; V116-C137 WeakPolarHBondContact O-CA 3.29Å; V116-H138 PolarHBondContact N-O 3.46Å; V116-H138 PolarHBondContact O-N 2.95Å
117	A	97.3	Very high	93.2	Very high	29 Å²	29	72.7 Å²	72.7	24%	0.24	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.4	173.3	0	0	0	0	0	110.7	Y120 H134 A136	A117-Y120 HydrophobicContact CB-CD1 4.28Å; A117-H134 HydrophobicContact CB-CB 4.39Å; A117-A136 WeakPolarHBondContact CA-O 3.44Å
118	K	97.3	Very high	92.9	Very high	152 Å²	152	69.4 Å²	69.4	66%	0.661	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	-38.3	166.5	-170.8	176.3	177.9	179.2	0	110.9	V116 A136 H138	V116-K118 PolarHBondContact O-N 2.95Å; K118-A136 HydrophobicContact CB-CB 4Å; K118-A136 PolarHBondContact N-O 3.4Å; K118-H138 VanDerWaalsContact CB-ND1 3.33Å; K118-H138 WeakPolarHBondContact CB-ND1 3.18Å
119	S	97.6	Very high	92.8	Very high	48 Å²	48	71 Å²	71	34%	0.336	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	152.2	178.8	54	0	0	0	0	110	T135 A136	S119-T135 VanDerWaalsContact C-OG1 3.3Å; S119-T135 WeakPolarHBondContact CB-OG1 3.39Å; S119-T135 PolarHBondContact O-N 3.45Å; S119-T135 PolarHBondContact O-OG1 3.27Å; S119-T135 PolarHBondContact OG-OG1 2.93Å; S119-A136 PolarHBondContact O-N 2.92Å; S119-A136 WeakPolarHBondContact OG-CB 3.44Å
120	Y	97.6	Very high	92.9	Very high	93 Å²	93	78.1 Å²	78.1	37%	0.365	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	159	-179.9	60.8	-96.2	0	0	0	110.7	A117 R122 E132 N133	A117-Y120 HydrophobicContact CB-CD1 4.28Å; Y120-R122 HydrophobicContact CD2-CG 4.35Å; Y120-R122 HydrophobicContact CE2-CG 4.05Å; Y120-R122 PolarHBondContact OH-NH2 3.29Å; Y120-R122 VanDerWaalsContact OH-NH2 3.07Å; Y120-E132 HydrophobicContact CD2-CB 3.78Å; Y120-E132 HydrophobicContact CD2-CG 3.63Å; Y120-E132 HydrophobicContact CE2-CB 4.36Å; Y120-E132 HydrophobicContact CE2-CG 3.7Å; Y120-E132 WeakPolarHBondContact CE2-OE1 3.18Å; Y120-E132 HydrophobicContact CG-CB 4.04Å; Y120-E132 HydrophobicContact CG-CG 4.27Å; Y120-E132 PolarHBondContact OH-OE1 2.87Å; Y120-N133 CarbonylContact C-O 3.51Å; Y120-N133 WeakPolarHBondContact CA-O 3.24Å; Y120-N133 WeakPolarHBondContact CB-O 3.42Å
121	N	97.1	Very high	92.9	Very high	100 Å²	100	75.1 Å²	75.1	54%	0.535	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138	170.3	-66.4	-35.2	0	0	0	109.1	N133	N121-N133 PolarHBondContact N-O 3Å; N121-N133 PolarHBondContact O-N 2.9Å
122	R	96.1	Very high	93.1	Very high	167 Å²	167	75.4 Å²	75.4	63%	0.63	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.7	174.2	-68.6	176.7	-178.2	-83.5	-18	109.1	Y120 E132	Y120-R122 HydrophobicContact CD2-CG 4.35Å; Y120-R122 HydrophobicContact CE2-CG 4.05Å; Y120-R122 PolarHBondContact OH-NH2 3.29Å; Y120-R122 VanDerWaalsContact OH-NH2 3.07Å; R122-E132 HydrophobicContact CG-CG 4.47Å; R122-E132 IonicContact CZ-OE1 3.34Å; R122-E132 IonicContact NH1-OE1 3.55Å; R122-E132 IonicContact NH2-OE1 2.76Å; R122-E132 PolarHBondContact NH2-OE1 3.32Å
123	V	93.6	Very high	93.3	Very high	44 Å²	44	75 Å²	75	27%	0.267	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.1	179.1	-62.1	0	0	0	0	110.1	I80 V125 K130 V131 N133	I80-V123 HydrophobicContact CD1-CG2 3.66Å; V123-V125 HydrophobicContact CG2-CG2 3.97Å; V123-K130 WeakPolarHBondContact O-CA 3.23Å; V123-V131 HydrophobicContact CG2-CG2 3.59Å; V123-V131 PolarHBondContact N-O 3.39Å; V123-V131 PolarHBondContact O-N 2.93Å; V123-N133 HydrophobicContact CG1-CB 4.36Å; V123-N133 HydrophobicContact CG2-CB 3.94Å
124	T	92.9	Very high	93.5	Very high	97 Å²	97	74.1 Å²	74.1	60%	0.595	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.7	176.5	-54.8	0	0	0	0	108.8	F129	T124-F129 CarbonylContact C-O 3.58Å; T124-F129 VanDerWaalsContact CA-O 3.28Å; T124-F129 WeakPolarHBondContact CA-O 3.27Å
125	V	88.3	Confident	93.5	Very high	18 Å²	18	75.1 Å²	75.1	11%	0.109	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.7	-174.3	-178	0	0	0	0	109.4	F73 I80 V123 G127 G128 F129 V131	F73-V125 HydrophobicContact CB-CG1 4.15Å; F73-V125 HydrophobicContact CD1-CG1 4.13Å; F73-V125 WeakPolarHBondContact O-CG1 3.42Å; I80-V125 HydrophobicContact CD1-CG2 3.83Å; I80-V125 HydrophobicContact CG1-CG2 4.08Å; V123-V125 HydrophobicContact CG2-CG2 3.97Å; V125-G127 PolarHBondContact O-N 3.36Å; V125-G128 PolarHBondContact O-N 3.23Å; V125-F129 PolarHBondContact N-O 3.49Å; V125-F129 WeakPolarHBondContact O-CB 3.4Å; V125-F129 PolarHBondContact O-N 2.93Å; V125-V131 HydrophobicContact CB-CG2 4.18Å; V125-V131 HydrophobicContact CG2-CG2 3.54Å
126	M	77.1	Confident	93.6	Very high	98 Å²	98	75.3 Å²	75.3	48%	0.483	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.4	66.6	172.9	-71.5	-179.4	78.5	0	0	115	F72 G128 F129	F72-M126 HydrophobicContact CE1-SD 4.49Å; M126-G128 VanDerWaalsContact C-N 3.3Å; M126-G128 PolarHBondContact O-N 3.34Å; M126-F129 HydrophobicContact CB-CD2 4.08Å; M126-F129 WeakPolarHBondContact O-CD2 3.39Å; M126-F129 WeakPolarHBondContact O-CE2 3.42Å
127	G	80.9	Confident	93.6	Very high	94 Å²	94	74.7 Å²	74.7	97%	0.969	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	12.7	170.5	0	0	0	0	0	115.9	V125	V125-G127 PolarHBondContact O-N 3.36Å
128	G	87.6	Confident	93.6	Very high	45 Å²	45	76.7 Å²	76.7	46%	0.464	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	137.6	-0.6	168.3	0	0	0	0	0	116.4	V125 M126 K130	V125-G128 PolarHBondContact O-N 3.23Å; M126-G128 VanDerWaalsContact C-N 3.3Å; M126-G128 PolarHBondContact O-N 3.34Å; G128-K130 PolarHBondContact O-N 2.71Å
129	F	91.8	Very high	93.6	Very high	127 Å²	127	72.3 Å²	72.3	56%	0.557	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	120.4	178.9	-64	-78.2	0	0	0	110.8	T124 V125 M126 V131	T124-F129 CarbonylContact C-O 3.58Å; T124-F129 VanDerWaalsContact CA-O 3.28Å; T124-F129 WeakPolarHBondContact CA-O 3.27Å; V125-F129 PolarHBondContact N-O 3.49Å; V125-F129 WeakPolarHBondContact O-CB 3.4Å; V125-F129 PolarHBondContact O-N 2.93Å; M126-F129 HydrophobicContact CB-CD2 4.08Å; M126-F129 WeakPolarHBondContact O-CD2 3.39Å; M126-F129 WeakPolarHBondContact O-CE2 3.42Å; F129-V131 HydrophobicContact CB-CG1 4.38Å; F129-V131 PolarHBondContact O-N 3.39Å
130	K	94	Very high	93.6	Very high	180 Å²	180	71.6 Å²	71.6	78%	0.783	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	111.5	172.9	-63.9	179.9	-177.5	178.1	0	108.6	V123 G128	V123-K130 WeakPolarHBondContact O-CA 3.23Å; G128-K130 PolarHBondContact O-N 2.71Å
131	V	94.3	Very high	93.4	Very high	19 Å²	19	71.3 Å²	71.3	12%	0.115	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	154.8	178.9	-57.4	0	0	0	0	110.5	F73 I80 V123 V125 F129	F73-V131 HydrophobicContact CD1-CG1 4.09Å; F73-V131 HydrophobicContact CD2-CG1 4.23Å; F73-V131 HydrophobicContact CE1-CG1 3.96Å; F73-V131 HydrophobicContact CE2-CG1 4.12Å; F73-V131 HydrophobicContact CG-CG1 4.23Å; F73-V131 HydrophobicContact CZ-CG1 3.98Å; I80-V131 HydrophobicContact CG2-CG2 4.21Å; V123-V131 HydrophobicContact CG2-CG2 3.59Å; V123-V131 PolarHBondContact N-O 3.39Å; V123-V131 PolarHBondContact O-N 2.93Å; V125-V131 HydrophobicContact CB-CG2 4.18Å; V125-V131 HydrophobicContact CG2-CG2 3.54Å; F129-V131 HydrophobicContact CB-CG1 4.38Å; F129-V131 PolarHBondContact O-N 3.39Å
132	E	96	Very high	93.2	Very high	74 Å²	74	67 Å²	67	35%	0.346	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.5	175	-65.4	-177.2	172.7	0	0	108.5	Y120 R122 H134	Y120-E132 HydrophobicContact CD2-CB 3.78Å; Y120-E132 HydrophobicContact CD2-CG 3.63Å; Y120-E132 HydrophobicContact CE2-CB 4.36Å; Y120-E132 HydrophobicContact CE2-CG 3.7Å; Y120-E132 WeakPolarHBondContact CE2-OE1 3.18Å; Y120-E132 HydrophobicContact CG-CB 4.04Å; Y120-E132 HydrophobicContact CG-CG 4.27Å; Y120-E132 PolarHBondContact OH-OE1 2.87Å; R122-E132 HydrophobicContact CG-CG 4.47Å; R122-E132 IonicContact CZ-OE1 3.34Å; R122-E132 IonicContact NH1-OE1 3.55Å; R122-E132 IonicContact NH2-OE1 2.76Å; R122-E132 PolarHBondContact NH2-OE1 3.32Å; E132-H134 PolarHBondContact O-CD2 2.97Å
133	N	96.6	Very high	92.9	Very high	30 Å²	30	67.3 Å²	67.3	16%	0.16	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	107.8	172.9	-171.3	-0.9	0	0	0	108.5	P79 I80 L81 Y120 N121 V123	P79-N133 PolarHBondContact O-ND2 3.26Å; I80-N133 HydrophobicContact CD1-CB 4.45Å; L81-N133 WeakPolarHBondContact CB-OD1 3.49Å; L81-N133 PolarHBondContact N-OD1 3.44Å; Y120-N133 CarbonylContact C-O 3.51Å; Y120-N133 WeakPolarHBondContact CA-O 3.24Å; Y120-N133 WeakPolarHBondContact CB-O 3.42Å; N121-N133 PolarHBondContact N-O 3Å; N121-N133 PolarHBondContact O-N 2.9Å; V123-N133 HydrophobicContact CG1-CB 4.36Å; V123-N133 HydrophobicContact CG2-CB 3.94Å
134	H	97.7	Very high	92.6	Very high	28 Å²	28	76 Å²	76	13%	0.13	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	139.8	-174	-62.1	-174.7	0	0	0	110.9	L67 L81 C83 A117 E132	L67-H134 HydrophobicContact CD2-CB 3.61Å; L67-H134 WeakPolarHBondContact CD2-O 3.49Å; L81-H134 WeakPolarHBondContact CB-O 3.43Å; L81-H134 WeakPolarHBondContact O-CB 3.17Å; L81-H134 PolarHBondContact O-N 2.9Å; C83-H134 PolarHBondContact N-ND1 3.47Å; C83-H134 PolarHBondContact SG-ND1 3.31Å; A117-H134 HydrophobicContact CB-CB 4.39Å; E132-H134 PolarHBondContact O-CD2 2.97Å
135	T	97.4	Very high	92.1	Very high	64 Å²	64	75.3 Å²	75.3	39%	0.393	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-17.8	179.8	57.7	0	0	0	0	113.3	S119	S119-T135 VanDerWaalsContact C-OG1 3.3Å; S119-T135 WeakPolarHBondContact CB-OG1 3.39Å; S119-T135 PolarHBondContact O-N 3.45Å; S119-T135 PolarHBondContact O-OG1 3.27Å; S119-T135 PolarHBondContact OG-OG1 2.93Å
136	A	97.7	Very high	91.8	Very high	32 Å²	32	82.4 Å²	82.4	26%	0.264	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	150.4	171.5	0	0	0	0	0	110.4	A117 K118 S119	A117-A136 WeakPolarHBondContact CA-O 3.44Å; K118-A136 HydrophobicContact CB-CB 4Å; K118-A136 PolarHBondContact N-O 3.4Å; S119-A136 PolarHBondContact O-N 2.92Å; S119-A136 WeakPolarHBondContact OG-CB 3.44Å
137	C	97.6	Very high	91.5	Very high	30 Å²	30	87.1 Å²	87.1	20%	0.203	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.3	179.6	-53.6	0	0	0	0	111	L67 C83 V116	L67-C137 WeakPolarHBondContact CD2-SG 3.05Å; C83-C137 WeakPolarHBondContact CA-SG 3.3Å; C83-C137 HydrophobicContact CB-CB 3.81Å; C83-C137 WeakPolarHBondContact CB-SG 3.42Å; C83-C137 WeakPolarHBondContact SG-CA 3.31Å; C83-C137 WeakPolarHBondContact SG-CB 3.03Å; C83-C137 CovalentContact SG-SG 2.03Å; C83-C137 PolarHBondContact SG-SG 3.27Å; V116-C137 WeakPolarHBondContact O-CA 3.29Å
138	H	97.3	Very high	92	Very high	71 Å²	71	86.8 Å²	86.8	33%	0.329	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	161.2	167.3	72.3	-68.3	0	0	0	111.2	V116 K118 S140	V116-H138 PolarHBondContact N-O 3.46Å; V116-H138 PolarHBondContact O-N 2.95Å; K118-H138 VanDerWaalsContact CB-ND1 3.33Å; K118-H138 WeakPolarHBondContact CB-ND1 3.18Å; H138-S140 WeakPolarHBondContact NE2-CB 3.25Å; H138-S140 PolarHBondContact NE2-OG 2.88Å
139	C	96.9	Very high	92.2	Very high	59 Å²	59	89 Å²	89	40%	0.399	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.4	171.2	-64.3	0	0	0	0	109.9	C87 C114	C87-C139 VanDerWaalsContact CA-SG 3.52Å; C87-C139 HydrophobicContact CB-CB 3.69Å; C87-C139 WeakPolarHBondContact CB-SG 3.25Å; C87-C139 WeakPolarHBondContact SG-CA 3.22Å; C87-C139 WeakPolarHBondContact SG-CB 3.37Å; C87-C139 CovalentContact SG-SG 2.03Å; C87-C139 PolarHBondContact SG-SG 3.31Å; C114-C139 WeakPolarHBondContact O-CA 3.43Å
140	S	96.3	Very high	92.3	Very high	34 Å²	34	86.9 Å²	86.9	24%	0.238	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	-173.4	-174.4	-154.4	0	0	0	0	112.3	T113 C114 H138 C142	T113-S140 CarbonylContact C-O 3.5Å; T113-S140 WeakPolarHBondContact CA-O 3.49Å; C114-S140 PolarHBondContact N-O 2.87Å; C114-S140 PolarHBondContact O-N 3Å; H138-S140 WeakPolarHBondContact NE2-CB 3.25Å; H138-S140 PolarHBondContact NE2-OG 2.88Å; S140-C142 PolarHBondContact O-N 3.47Å
141	T	94.3	Very high	92.2	Very high	87 Å²	87	81.4 Å²	81.4	53%	0.534	43%	0.425	S	S	.	.			trans	-54.1	128.9	174.6	-50.2	0	0	0	0	111.8
142	C	93.4	Very high	92	Very high	10 Å²	10	85.3 Å²	85.3	7%	0.068	45%	0.445	C	S	.	.			trans	-80.3	119.9	173.1	-64.3	0	0	0	0	110.9	C114 S140 H145	C114-C142 HydrophobicContact CB-CB 3.93Å; C114-C142 WeakPolarHBondContact CB-SG 3.31Å; C114-C142 PolarHBondContact N-SG 3.49Å; C114-C142 WeakPolarHBondContact SG-CB 3.41Å; C114-C142 CovalentContact SG-SG 2.03Å; C114-C142 PolarHBondContact SG-SG 3.4Å; S140-C142 PolarHBondContact O-N 3.47Å; C142-H145 HydrophobicContact CB-CB 3.85Å; C142-H145 VanDerWaalsContact CB-CG 3.46Å; C142-H145 WeakPolarHBondContact CB-ND1 3.25Å; C142-H145 PolarHBondContact O-CE1 3.01Å; C142-H145 PolarHBondContact O-ND1 3.28Å
143	Y	89.9	Confident	91.8	Very high	172 Å²	172	86.1 Å²	86.1	68%	0.675	45%	0.451	S	S	*	.	S	Bend	trans	-89	-34.7	177.5	-65.2	-74.2	0	0	0	113.6
144	Y	87.4	Confident	91.4	Very high	226 Å²	226	90.1 Å²	90.1	89%	0.886	47%	0.472	S	S	*	.	S	Bend	trans	-113.9	24.2	-168.8	-52.6	-70.9	0	0	0	114.1
145	H	82.4	Confident	90.9	Very high	84 Å²	84	94.8 Å²	94.8	39%	0.389	50%	0.498	S	S	.	.			trans	-93.1	1.3	-174.9	72.2	-72.2	0	0	0	114.3	C142	C142-H145 HydrophobicContact CB-CB 3.85Å; C142-H145 VanDerWaalsContact CB-CG 3.46Å; C142-H145 WeakPolarHBondContact CB-ND1 3.25Å; C142-H145 PolarHBondContact O-CE1 3.01Å; C142-H145 PolarHBondContact O-ND1 3.28Å
146	K	80.4	Confident	90.4	Very high	167 Å²	167	97.4 Å²	97.4	73%	0.726	51%	0.507	S	S	*	.			trans	-116.7	134.8	-177.8	-63.1	-179.6	-179.1	175.7	0	109.3
147	S	71.1	Confident	89.7	Confident	197 Å²	197	103.4 Å²	103.4	100%	1.378	53%	0.529	S	S	*	.			trans	-89.2	0	173.9	34.4	0	0	0	0	113.2

Retrieved 147 of 147 residues in 516.3 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).