LV469_HUMAN Loading...

Immunoglobulin lambda variable 4-69

V region of the variable domain of immunoglobulin light chains that participates in the antigen recognition¹. Immunoglobulins, also known as antibodies, are membrane-bound or secreted glycoproteins produced by B lymphocytes. In the recognition phase of humoral immunity, the membrane-bound immunoglobulins serve as receptors which, upon binding of a specific antigen, trigger the clonal expansion and differentiation of B lymphocytes into immunoglobulins-secreting plasma cells. Secreted immunoglobulins mediate the effector phase of humoral immunity, which results in the elimination of bound antigens^2,3. The antigen binding site is formed by the variable domain of one heavy chain, together with that of its associated light chain. Thus, each immunoglobulin has two antigen binding sites with remarkable affinity for a particular antigen. The variable domains are assembled by a process called V-(D)-J rearrangement and can then be subjected to somatic hypermutations which, after exposure to antigen and selection, allow affinity maturation for a particular antigen^4,5.

AlphaFold DB , UniProt , Accession A0A075B6H9, Species HUMAN (Homo sapiens, Human), Gene IGLV4-69, Length 119 aa.

						>LV469_HUMAN|A0A075B6H9|IGLV4-69
MAWTPLLFLTLLLHCTGSLSQLVLTQSPSASASLGASVKLTCTLSSGHSSYAIAWHQQQPEKGPRYLMKLNSDGSHSKGDGIPDRFSGSSSGAERYLTISSLQSEDEADYYCQTWGTGI
					

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(Predicted Aligned Error values between residue pairs)

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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	54.2	Low	61.8	Low	212 Å²	212	119.2 Å²	119.2	100%	1.044	63%	0.625	S	S	*	*				0	93.3	0	-67.4	168.3	-168.1	0	0	107.9	W3	M1-W3 PolarHBondContact O-N 3.37Å
2	A	61.5	Low	61.8	Low	74 Å²	74	120.9 Å²	120.9	61%	0.612	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	32	-178.1	0	0	0	0	0	112.8
3	W	56.5	Low	61.9	Low	193 Å²	193	121.8 Å²	121.8	73%	0.731	64%	0.638	S	S	*	*	H	α-helix	trans	-90.6	-23	-168.2	-65.4	8	0	0	0	112.9	M1 L6 L7	M1-W3 PolarHBondContact O-N 3.37Å; W3-L6 PolarHBondContact O-N 3.27Å; W3-L7 PolarHBondContact O-N 2.88Å
4	T	61.7	Low	61.8	Low	91 Å²	91	123.4 Å²	123.4	56%	0.558	64%	0.64	S	S	*	*	H	α-helix	trans	-56.8	-49.1	177.2	18.6	0	0	0	0	113.6	L6 L7 F8	T4-L6 VanDerWaalsContact C-N 3.29Å; T4-L6 PolarHBondContact O-N 3.08Å; T4-L7 PolarHBondContact O-N 3.38Å; T4-F8 VanDerWaalsContact O-CD2 3.26Å; T4-F8 WeakPolarHBondContact O-CD2 3.49Å; T4-F8 PolarHBondContact O-N 2.98Å
5	P	60.6	Low	61.7	Low	83 Å²	83	122.7 Å²	122.7	54%	0.539	65%	0.648	S	S	.	*	H	α-helix	trans	-65.7	-30.8	177.6	23.7	-32.2	0	0	0	113	L9	P5-L9 WeakPolarHBondContact O-CB 3.27Å; P5-L9 PolarHBondContact O-N 3.02Å
6	L	64.9	Low	61.8	Low	111 Å²	111	122.1 Å²	122.1	58%	0.581	65%	0.651	S	S	*	*	H	α-helix	trans	-66.4	-41.1	174	-90.8	109	0	0	0	112	W3 T4 F8 L9 T10	W3-L6 PolarHBondContact O-N 3.27Å; T4-L6 VanDerWaalsContact C-N 3.29Å; T4-L6 PolarHBondContact O-N 3.08Å; L6-F8 PolarHBondContact O-N 3.44Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-T10 VanDerWaalsContact O-CG2 3.28Å; L6-T10 WeakPolarHBondContact O-CG2 3.14Å; L6-T10 PolarHBondContact O-N 3.34Å; L6-T10 PolarHBondContact O-OG1 3.43Å
7	L	64.9	Low	61.9	Low	113 Å²	113	118.8 Å²	118.8	59%	0.592	65%	0.653	S	S	*	*	H	α-helix	trans	-62.6	-42.3	177.4	-70.9	172.4	0	0	0	111.6	W3 T4 T10 L11	W3-L7 PolarHBondContact O-N 2.88Å; T4-L7 PolarHBondContact O-N 3.38Å; L7-T10 WeakPolarHBondContact CA-OG1 3.5Å; L7-T10 PolarHBondContact O-N 2.98Å; L7-T10 PolarHBondContact O-OG1 2.85Å; L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 PolarHBondContact O-N 3.06Å
8	F	64.2	Low	62.3	Low	138 Å²	138	118.3 Å²	118.3	61%	0.605	66%	0.66	S	S	*	*	H	α-helix	trans	-65.2	-41	174.7	-79.3	-76.3	0	0	0	112.9	T4 L6 L11 L12	T4-F8 VanDerWaalsContact O-CD2 3.26Å; T4-F8 WeakPolarHBondContact O-CD2 3.49Å; T4-F8 PolarHBondContact O-N 2.98Å; L6-F8 PolarHBondContact O-N 3.44Å; F8-L11 PolarHBondContact O-N 2.9Å; F8-L12 PolarHBondContact O-N 3.05Å; F8-L12 VanDerWaalsContact O-N 3.09Å
9	L	64.5	Low	62.5	Low	117 Å²	117	120.9 Å²	120.9	61%	0.613	67%	0.671	S	S	*	*	H	α-helix	trans	-64.4	-41.2	176	-172.7	68.7	0	0	0	111.5	P5 L6 L13	P5-L9 WeakPolarHBondContact O-CB 3.27Å; P5-L9 PolarHBondContact O-N 3.02Å; L6-L9 PolarHBondContact O-N 3.44Å; L9-L13 PolarHBondContact O-N 2.87Å
10	T	64.7	Low	63	Low	64 Å²	64	118.4 Å²	118.4	39%	0.393	66%	0.662	S	S	.	*	H	α-helix	trans	-63.3	-45	174.2	59.6	0	0	0	0	110.6	L6 L7 L12 L13 H14	L6-T10 VanDerWaalsContact O-CG2 3.28Å; L6-T10 WeakPolarHBondContact O-CG2 3.14Å; L6-T10 PolarHBondContact O-N 3.34Å; L6-T10 PolarHBondContact O-OG1 3.43Å; L7-T10 WeakPolarHBondContact CA-OG1 3.5Å; L7-T10 PolarHBondContact O-N 2.98Å; L7-T10 PolarHBondContact O-OG1 2.85Å; T10-L12 PolarHBondContact O-N 2.73Å; T10-L13 WeakPolarHBondContact O-CB 3.42Å; T10-L13 PolarHBondContact O-N 3.03Å; T10-H14 VanDerWaalsContact C-ND1 3.35Å; T10-H14 PolarHBondContact O-CE1 2.78Å; T10-H14 PolarHBondContact O-N 3.01Å; T10-H14 PolarHBondContact O-ND1 3.48Å
11	L	62.4	Low	64	Low	115 Å²	115	120.2 Å²	120.2	60%	0.602	67%	0.666	S	S	*	*	H	α-helix	trans	-61.4	-39.3	-178.5	-171	64.4	0	0	0	112.9	L7 F8 L13 H14	L7-L11 WeakPolarHBondContact O-CB 3.45Å; L7-L11 PolarHBondContact O-N 3.06Å; F8-L11 PolarHBondContact O-N 2.9Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.34Å; L11-H14 PolarHBondContact O-N 2.76Å
12	L	62	Low	65.8	Low	140 Å²	140	112.4 Å²	112.4	73%	0.733	63%	0.628	S	S	*	*	H	α-helix	trans	-65.3	-29.5	174.2	-78	155.9	0	0	0	112.7	F8 T10	F8-L12 PolarHBondContact O-N 3.05Å; F8-L12 VanDerWaalsContact O-N 3.09Å; T10-L12 PolarHBondContact O-N 2.73Å
13	L	62.4	Low	67.3	Low	132 Å²	132	112 Å²	112	69%	0.691	62%	0.617	S	S	*	*	H	α-helix	trans	-75.9	-19.3	178.6	-131	74	0	0	0	113.7	L9 T10 L11 C15	L9-L13 PolarHBondContact O-N 2.87Å; T10-L13 WeakPolarHBondContact O-CB 3.42Å; T10-L13 PolarHBondContact O-N 3.03Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.34Å; L13-C15 VanDerWaalsContact C-N 3.32Å; L13-C15 PolarHBondContact O-N 2.91Å
14	H	60.8	Low	69.2	Low	145 Å²	145	105.1 Å²	105.1	67%	0.671	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-3.7	-177	-65.2	102.3	0	0	0	114.4	T10 L11	T10-H14 VanDerWaalsContact C-ND1 3.35Å; T10-H14 PolarHBondContact O-CE1 2.78Å; T10-H14 PolarHBondContact O-N 3.01Å; T10-H14 PolarHBondContact O-ND1 3.48Å; L11-H14 PolarHBondContact O-N 2.76Å
15	C	60.3	Low	71	Confident	112 Å²	112	104.9 Å²	104.9	76%	0.757	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	31.2	-179.1	-72.2	0	0	0	0	113.4	L13 G17	L13-C15 VanDerWaalsContact C-N 3.32Å; L13-C15 PolarHBondContact O-N 2.91Å; C15-G17 PolarHBondContact O-N 2.84Å
16	T	63.9	Low	72.7	Confident	113 Å²	113	104 Å²	104	69%	0.693	58%	0.582	S	S	*	*			trans	-77.2	75.8	160.8	-42.6	0	0	0	0	108.4	S18	T16-S18 VanDerWaalsContact C-N 3.33Å; T16-S18 PolarHBondContact O-N 2.77Å
17	G	63.2	Low	74.1	Confident	67 Å²	67	101.8 Å²	101.8	69%	0.691	58%	0.576	S	S	*	*			trans	-57.4	100.2	167.1	0	0	0	0	0	108.2	C15 L19	C15-G17 PolarHBondContact O-N 2.84Å; G17-L19 PolarHBondContact O-N 3.36Å; G17-L19 VanDerWaalsContact O-N 3.08Å
18	S	67.9	Low	75.5	Confident	110 Å²	110	102.9 Å²	102.9	77%	0.769	59%	0.59	S	S	*	*			trans	-77.4	95.6	174.9	-64.3	0	0	0	0	107	T16 S20	T16-S18 VanDerWaalsContact C-N 3.33Å; T16-S18 PolarHBondContact O-N 2.77Å; S18-S20 PolarHBondContact O-N 2.77Å; S18-S20 VanDerWaalsContact O-N 3.11Å
19	L	66.6	Low	77.1	Confident	167 Å²	167	100.7 Å²	100.7	87%	0.874	59%	0.592	S	S	*	*			trans	-61.5	112.3	167.7	-65.5	171.3	0	0	0	107.1	G17 Q21	G17-L19 PolarHBondContact O-N 3.36Å; G17-L19 VanDerWaalsContact O-N 3.08Å; L19-Q21 PolarHBondContact O-N 2.89Å; L19-Q21 VanDerWaalsContact O-N 3.13Å
20	S	72.3	Confident	78.6	Confident	70 Å²	70	97.4 Å²	97.4	49%	0.49	58%	0.581	S	S	.	*			trans	-63.9	115.7	175.4	55.2	0	0	0	0	108.6	S18 L22 H48	S18-S20 PolarHBondContact O-N 2.77Å; S18-S20 VanDerWaalsContact O-N 3.11Å; S20-L22 PolarHBondContact O-N 3.44Å; S20-H48 PolarHBondContact O-CE1 3.16Å
21	Q	85.2	Confident	80.1	Confident	158 Å²	158	99.9 Å²	99.9	74%	0.738	60%	0.601	S	S	*	*			trans	-66.9	134.3	179.4	-174.2	175.4	-15.8	0	0	110.7	L19 V23 S45	L19-Q21 PolarHBondContact O-N 2.89Å; L19-Q21 VanDerWaalsContact O-N 3.13Å; Q21-V23 HydrophobicContact CG-CG2 4.18Å; Q21-V23 PolarHBondContact O-N 3.23Å; Q21-S45 PolarHBondContact O-OG 3.18Å
22	L	91	Very high	81.8	Confident	48 Å²	48	96.3 Å²	96.3	25%	0.251	59%	0.589	S	S	.	*			trans	-71.8	119.4	171.7	179.6	57.6	0	0	0	109.6	S20 H48 Y51 T114	S20-L22 PolarHBondContact O-N 3.44Å; L22-H48 HydrophobicContact CD1-CB 3.58Å; L22-H48 VanDerWaalsContact CD1-CG 3.42Å; L22-Y51 HydrophobicContact CD1-CD2 4.41Å; L22-Y51 HydrophobicContact CD2-CD2 4.12Å; L22-Y51 HydrophobicContact CD2-CE2 4.02Å; L22-T114 HydrophobicContact CD1-CG2 4.02Å; L22-T114 HydrophobicContact CD2-CG2 3.39Å; L22-T114 HydrophobicContact CG-CG2 3.85Å
23	V	94.2	Very high	83.5	Confident	65 Å²	65	94.1 Å²	94.1	39%	0.394	59%	0.585	S	S	.	*			trans	-132.9	137.2	179	-178.4	0	0	0	0	108.3	Q21 S45	Q21-V23 HydrophobicContact CG-CG2 4.18Å; Q21-V23 PolarHBondContact O-N 3.23Å; V23-S45 PolarHBondContact N-OG 2.02Å; V23-S45 VanDerWaalsContact N-OG 3.1Å; V23-S45 PolarHBondContact O-N 3.11Å
24	L	96.5	Very high	85.2	Confident	48 Å²	48	93.8 Å²	93.8	25%	0.251	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.9	133.6	171	-60.2	-177.3	0	0	0	109	T43 L44 C112 T114	L24-T43 WeakPolarHBondContact CA-O 3.26Å; L24-L44 HydrophobicContact CD2-CB 4.35Å; L24-L44 HydrophobicContact CD2-CD2 4.21Å; L24-L44 HydrophobicContact CD2-CG 3.64Å; L24-C112 HydrophobicContact CD1-CB 4.5Å; L24-C112 WeakPolarHBondContact CD1-O 3.28Å; L24-T114 HydrophobicContact CD1-CG2 3.94Å; L24-T114 HydrophobicContact CD2-CG2 3.93Å; L24-T114 HydrophobicContact CG-CG2 4.09Å
25	T	97.6	Very high	87	Confident	87 Å²	87	89.3 Å²	89.3	53%	0.534	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	133.1	174.8	-52.8	0	0	0	0	109.5	C42 T43	T25-C42 CarbonylContact O-C 3.52Å; T25-C42 WeakPolarHBondContact O-CA 3.09Å; T25-T43 PolarHBondContact N-O 2.94Å; T25-T43 PolarHBondContact O-N 3Å
26	Q	98	Very high	88.8	Confident	63 Å²	63	85.8 Å²	85.8	29%	0.294	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.8	153.3	176.8	-71.3	179.7	-126.7	0	0	110.6	T41 C42 Y110 C112	Q26-T41 WeakPolarHBondContact CA-O 3.3Å; Q26-C42 HydrophobicContact CG-CB 4.1Å; Q26-Y110 PolarHBondContact NE2-O 3.02Å; Q26-C112 VanDerWaalsContact CD-SG 3.52Å; Q26-C112 VanDerWaalsContact CG-SG 3.52Å; Q26-C112 PolarHBondContact OE1-SG 3.31Å
27	S	94.1	Very high	90.4	Very high	65 Å²	65	84.1 Å²	84.1	46%	0.455	55%	0.548	S	S	.	.			trans	-62.5	138	164.1	-55.9	0	0	0	0	109.5	S29	S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact O-N 2.88Å
28	P	94.9	Very high	92.1	Very high	136 Å²	136	81.9 Å²	81.9	88%	0.883	52%	0.521	S	S	*	.	S	Bend	trans	-67.7	-28.2	-173.2	26	-35	0	0	0	113.5
29	S	96.3	Very high	93.6	Very high	93 Å²	93	81.9 Å²	81.9	65%	0.65	51%	0.507	S	S	*	.			trans	-158.7	154.9	179.3	58.9	0	0	0	0	110.2	S27	S27-S29 VanDerWaalsContact C-N 3.29Å; S27-S29 PolarHBondContact O-N 2.88Å
30	A	96.5	Very high	95.1	Very high	47 Å²	47	75 Å²	75	39%	0.388	47%	0.47	S	S	.	.			trans	-140.3	149.1	165.8	0	0	0	0	0	108.9	V38 L40	A30-V38 HydrophobicContact CB-CG2 3.6Å; A30-L40 HydrophobicContact CB-CD2 3.59Å
31	S	96.9	Very high	96.3	Very high	116 Å²	116	72.9 Å²	72.9	81%	0.811	46%	0.455	S	S	*	.			trans	-143.3	143.6	-179.6	-51.9	0	0	0	0	109.8
32	A	97.4	Very high	96.9	Very high	41 Å²	41	65.3 Å²	65.3	34%	0.339	42%	0.42	S	S	.	.			trans	-150.8	161.7	174.1	0	0	0	0	0	109.6	A36 V38 L102	A32-A36 HydrophobicContact CB-CB 4.18Å; A32-V38 HydrophobicContact CB-CB 4.05Å; A32-L102 HydrophobicContact CB-CD2 4.05Å; A32-L102 WeakPolarHBondContact O-CD2 3.44Å
33	S	98.1	Very high	97.3	Very high	93 Å²	93	65.2 Å²	65.2	65%	0.65	42%	0.421	S	S	*	.			trans	-71.1	152.8	174.6	-54.7	0	0	0	0	111.4	G35 A36	S33-G35 PolarHBondContact O-N 3.32Å; S33-A36 WeakPolarHBondContact O-CB 3.35Å; S33-A36 PolarHBondContact O-N 2.79Å
34	L	98.1	Very high	97.4	Very high	126 Å²	126	62.4 Å²	62.4	66%	0.66	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	137.4	172.5	-63.7	177.6	0	0	0	110.8	A36 L102	L34-A36 PolarHBondContact O-N 2.85Å; L34-L102 CarbonylContact C-O 3.58Å; L34-L102 WeakPolarHBondContact CA-O 3.33Å
35	G	98.1	Very high	97.2	Very high	50 Å²	50	61.3 Å²	61.3	52%	0.515	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-12.9	-174.7	0	0	0	0	0	115.1	S33 L102	S33-G35 PolarHBondContact O-N 3.32Å; G35-L102 PolarHBondContact N-O 2.82Å
36	A	98.3	Very high	96.7	Very high	39 Å²	39	62 Å²	62	32%	0.322	41%	0.408	S	S	.	.	S	Bend	trans	-78.8	177.8	173	0	0	0	0	0	111.6	A32 S33 L34 S101 L102	A32-A36 HydrophobicContact CB-CB 4.18Å; S33-A36 WeakPolarHBondContact O-CB 3.35Å; S33-A36 PolarHBondContact O-N 2.79Å; L34-A36 PolarHBondContact O-N 2.85Å; A36-S101 PolarHBondContact O-N 2.89Å; A36-L102 WeakPolarHBondContact O-CB 3.36Å; A36-L102 PolarHBondContact O-N 2.63Å
37	S	98.2	Very high	96.3	Very high	78 Å²	78	62 Å²	62	55%	0.545	43%	0.426	S	S	.	.			trans	-105.6	138.4	172.7	-61.6	0	0	0	0	110.5	I99	S37-I99 VanDerWaalsContact CA-O 3.26Å; S37-I99 WeakPolarHBondContact CA-O 3.49Å
38	V	98.3	Very high	96.1	Very high	19 Å²	19	59.7 Å²	59.7	12%	0.115	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.1	171	65.6	0	0	0	0	109.7	A30 A32 T98 I99 L102	A30-V38 HydrophobicContact CB-CG2 3.6Å; A32-V38 HydrophobicContact CB-CB 4.05Å; V38-T98 WeakPolarHBondContact O-CA 3.32Å; V38-I99 HydrophobicContact CG1-CB 3.94Å; V38-I99 HydrophobicContact CG1-CD1 4.17Å; V38-I99 HydrophobicContact CG1-CG1 4.24Å; V38-I99 PolarHBondContact N-O 2.95Å; V38-I99 PolarHBondContact O-N 2.99Å; V38-L102 HydrophobicContact CG1-CD1 3.92Å
39	K	98.2	Very high	96	Very high	111 Å²	111	56 Å²	56	48%	0.483	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.7	178.1	-170.8	178.4	72.1	162	0	110	Y96 L97	K39-Y96 HydrophobicContact CD-CD1 3.87Å; K39-Y96 HydrophobicContact CD-CG 3.92Å; K39-Y96 HydrophobicContact CG-CD1 4.2Å; K39-Y96 HydrophobicContact CG-CG 4.32Å; K39-L97 CarbonylContact C-O 3.51Å; K39-L97 WeakPolarHBondContact CA-O 3.28Å
40	L	98.5	Very high	95.9	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.11	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	146.8	172.7	-62.3	168.7	0	0	0	109.4	A30 W55 Y96 L97 Y110	A30-L40 HydrophobicContact CB-CD2 3.59Å; L40-W55 HydrophobicContact CB-CH2 4.02Å; L40-W55 HydrophobicContact CB-CZ3 4.44Å; L40-Y96 WeakPolarHBondContact O-CA 3.5Å; L40-L97 HydrophobicContact CB-CB 4.32Å; L40-L97 HydrophobicContact CD1-CD2 4.18Å; L40-L97 PolarHBondContact N-O 3.47Å; L40-L97 PolarHBondContact O-N 2.91Å; L40-Y110 HydrophobicContact CD1-CD1 3.94Å; L40-Y110 HydrophobicContact CD1-CD2 3.8Å; L40-Y110 HydrophobicContact CD1-CE2 4.45Å; L40-Y110 HydrophobicContact CD1-CG 3.5Å; L40-Y110 VanDerWaalsContact CD1-CG 3.5Å
41	T	98.4	Very high	95.8	Very high	26 Å²	26	55.1 Å²	55.1	16%	0.16	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.5	-178	-52.7	0	0	0	0	110	Q26 E94 Y96	Q26-T41 WeakPolarHBondContact CA-O 3.3Å; T41-E94 HydrophobicContact CG2-CB 4.3Å; T41-E94 HydrophobicContact CG2-CG 4.46Å; T41-Y96 HydrophobicContact CG2-CD1 3.89Å; T41-Y96 HydrophobicContact CG2-CE1 3.67Å; T41-Y96 WeakPolarHBondContact OG1-CD1 3.39Å
42	C	98.1	Very high	95.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.9	167.8	175.8	0	0	0	0	108.9	T25 Q26 I53 W55 E94 R95 C112	T25-C42 CarbonylContact O-C 3.52Å; T25-C42 WeakPolarHBondContact O-CA 3.09Å; Q26-C42 HydrophobicContact CG-CB 4.1Å; C42-I53 HydrophobicContact CB-CD1 3.99Å; C42-W55 HydrophobicContact CB-CH2 3.7Å; C42-W55 HydrophobicContact CB-CZ2 3.59Å; C42-E94 CarbonylContact O-C 3.6Å; C42-R95 HydrophobicContact CB-CB 4.37Å; C42-R95 PolarHBondContact N-O 2.86Å; C42-R95 PolarHBondContact O-N 3.11Å; C42-C112 HydrophobicContact CB-CB 3.47Å; C42-C112 VanDerWaalsContact CB-CB 3.47Å; C42-C112 WeakPolarHBondContact CB-SG 3.37Å; C42-C112 WeakPolarHBondContact SG-CB 3.42Å; C42-C112 CovalentContact SG-SG 2.02Å; C42-C112 PolarHBondContact SG-SG 3.23Å
43	T	97.7	Very high	95.8	Very high	46 Å²	46	48.5 Å²	48.5	28%	0.282	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.3	-176.5	-54.7	0	0	0	0	109.6	L24 T25 E94	L24-T43 WeakPolarHBondContact CA-O 3.26Å; T25-T43 PolarHBondContact N-O 2.94Å; T25-T43 PolarHBondContact O-N 3Å; T43-E94 HydrophobicContact CG2-CG 4.28Å
44	L	96.2	Very high	95.8	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	144.4	173.5	-65.8	91.4	0	0	0	110.4	L24 H48 I53 A93 R95	L24-L44 HydrophobicContact CD2-CB 4.35Å; L24-L44 HydrophobicContact CD2-CD2 4.21Å; L24-L44 HydrophobicContact CD2-CG 3.64Å; L44-H48 HydrophobicContact CB-CB 4.4Å; L44-H48 HydrophobicContact CD2-CB 4.33Å; L44-H48 VanDerWaalsContact CD2-O 3.3Å; L44-H48 WeakPolarHBondContact CD2-O 3.41Å; L44-I53 HydrophobicContact CD1-CG2 3.92Å; L44-I53 HydrophobicContact CD2-CG2 4.16Å; L44-I53 HydrophobicContact CG-CG2 4.34Å; L44-A93 HydrophobicContact CB-CB 4.47Å; L44-A93 WeakPolarHBondContact CD1-O 3.12Å; L44-A93 PolarHBondContact N-O 3.37Å; L44-A93 WeakPolarHBondContact O-CB 3.28Å; L44-R95 HydrophobicContact CD1-CG 3.5Å
45	S	93.8	Very high	95.8	Very high	26 Å²	26	38.1 Å²	38.1	18%	0.182	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-61.3	156.6	172.5	63.7	0	0	0	0	111.9	Q21 V23 G47 H48	Q21-S45 PolarHBondContact O-OG 3.18Å; V23-S45 PolarHBondContact N-OG 2.02Å; V23-S45 VanDerWaalsContact N-OG 3.1Å; V23-S45 PolarHBondContact O-N 3.11Å; S45-G47 PolarHBondContact O-N 3.21Å; S45-H48 PolarHBondContact O-N 2.83Å; S45-H48 PolarHBondContact OG-ND1 2.83Å
46	S	87.3	Confident	95.8	Very high	100 Å²	100	37.2 Å²	37.2	70%	0.699	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	139.9	178	56.3	0	0	0	0	111.7	H48	S46-H48 VanDerWaalsContact C-N 3.33Å; S46-H48 PolarHBondContact O-ND1 3.46Å
47	G	87.8	Confident	95.8	Very high	64 Å²	64	35.9 Å²	35.9	66%	0.66	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.9	-13.3	-177.7	0	0	0	0	0	114.5	S45	S45-G47 PolarHBondContact O-N 3.21Å
48	H	91.9	Very high	95.8	Very high	17 Å²	17	34.9 Å²	34.9	8%	0.079	22%	0.216	C	C	.	.			trans	-114.7	14.7	-177.2	-51	104.3	0	0	0	113.5	S20 L22 L44 S45 S46 S50 Y51	S20-H48 PolarHBondContact O-CE1 3.16Å; L22-H48 HydrophobicContact CD1-CB 3.58Å; L22-H48 VanDerWaalsContact CD1-CG 3.42Å; L44-H48 HydrophobicContact CB-CB 4.4Å; L44-H48 HydrophobicContact CD2-CB 4.33Å; L44-H48 VanDerWaalsContact CD2-O 3.3Å; L44-H48 WeakPolarHBondContact CD2-O 3.41Å; S45-H48 PolarHBondContact O-N 2.83Å; S45-H48 PolarHBondContact OG-ND1 2.83Å; S46-H48 VanDerWaalsContact C-N 3.33Å; S46-H48 PolarHBondContact O-ND1 3.46Å; H48-S50 PolarHBondContact O-N 3.18Å; H48-Y51 HydrophobicContact CB-CD1 4.33Å; H48-Y51 HydrophobicContact CB-CD2 4.15Å; H48-Y51 HydrophobicContact CB-CE2 4.34Å; H48-Y51 HydrophobicContact CB-CG 4.16Å; H48-Y51 AromaticContact CD2-CE2 3.63Å; H48-Y51 AromaticContact CD2-CZ 3.58Å; H48-Y51 WeakPolarHBondContact O-CB 3.25Å; H48-Y51 PolarHBondContact O-N 3.19Å
49	S	92.7	Very high	95.7	Very high	57 Å²	57	36.1 Å²	36.1	40%	0.399	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15.6	-177.5	59	0	0	0	0	114.2	Y51 S72 R95	S49-Y51 VanDerWaalsContact C-N 3.34Å; S49-S72 WeakPolarHBondContact O-CB 3.21Å; S49-R95 PolarHBondContact O-NH2 2.77Å
50	S	93.1	Very high	95.6	Very high	78 Å²	78	35.8 Å²	35.8	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.7	174.1	55.2	0	0	0	0	113.4	H48 S72	H48-S50 PolarHBondContact O-N 3.18Å; S50-S72 WeakPolarHBondContact O-CB 3.34Å; S50-S72 PolarHBondContact O-OG 2.89Å; S50-S72 VanDerWaalsContact O-OG 3.08Å
51	Y	94.6	Very high	95.4	Very high	44 Å²	44	44.6 Å²	44.6	17%	0.173	27%	0.27	C	S	.	.			trans	-77	146.3	-169	-71.8	22.6	0	0	0	111.6	L22 H48 S49 R95 T117	L22-Y51 HydrophobicContact CD1-CD2 4.41Å; L22-Y51 HydrophobicContact CD2-CD2 4.12Å; L22-Y51 HydrophobicContact CD2-CE2 4.02Å; H48-Y51 HydrophobicContact CB-CD1 4.33Å; H48-Y51 HydrophobicContact CB-CD2 4.15Å; H48-Y51 HydrophobicContact CB-CE2 4.34Å; H48-Y51 HydrophobicContact CB-CG 4.16Å; H48-Y51 AromaticContact CD2-CE2 3.63Å; H48-Y51 AromaticContact CD2-CZ 3.58Å; H48-Y51 WeakPolarHBondContact O-CB 3.25Å; H48-Y51 PolarHBondContact O-N 3.19Å; S49-Y51 VanDerWaalsContact C-N 3.34Å; Y51-R95 PolarHBondContact O-NE 3.08Å; Y51-R95 PolarHBondContact O-NH2 3.45Å; Y51-T117 WeakPolarHBondContact CE1-OG1 3.41Å; Y51-T117 PolarHBondContact OH-OG1 3.21Å; Y51-T117 VanDerWaalsContact OH-OG1 3.05Å
52	A	96.1	Very high	95.2	Very high	19 Å²	19	49.2 Å²	49.2	16%	0.157	29%	0.288	C	S	.	.			trans	-80.1	154.3	168.9	0	0	0	0	0	110.5	K69 L70 T114 W115	A52-K69 HydrophobicContact CB-CG 4.41Å; A52-L70 VanDerWaalsContact CA-O 3.3Å; A52-L70 WeakPolarHBondContact CA-O 3.37Å; A52-T114 PolarHBondContact O-OG1 2.5Å; A52-W115 HydrophobicContact CB-CZ3 4.4Å
53	I	97.7	Very high	95.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	161.6	170.5	70.8	158	0	0	0	110.6	C42 L44 W55 K69 L70 R95 C112 Q113	C42-I53 HydrophobicContact CB-CD1 3.99Å; L44-I53 HydrophobicContact CD1-CG2 3.92Å; L44-I53 HydrophobicContact CD2-CG2 4.16Å; L44-I53 HydrophobicContact CG-CG2 4.34Å; I53-W55 HydrophobicContact CD1-CD2 4.39Å; I53-W55 HydrophobicContact CD1-CG 4.49Å; I53-W55 HydrophobicContact CD1-CZ2 4.23Å; I53-K69 CarbonylContact O-C 3.53Å; I53-K69 VanDerWaalsContact O-CA 3.31Å; I53-K69 WeakPolarHBondContact O-CA 3.39Å; I53-L70 HydrophobicContact CG1-CB 4.16Å; I53-L70 PolarHBondContact N-O 2.85Å; I53-L70 PolarHBondContact O-N 2.76Å; I53-R95 HydrophobicContact CD1-CB 3.3Å; I53-R95 HydrophobicContact CD1-CG 3.76Å; I53-R95 HydrophobicContact CG1-CB 3.83Å; I53-R95 HydrophobicContact CG1-CG 3.79Å; I53-R95 HydrophobicContact CG2-CG 4.02Å; I53-C112 HydrophobicContact CD1-CB 3.7Å; I53-Q113 CarbonylContact C-O 3.52Å; I53-Q113 WeakPolarHBondContact CA-O 3.4Å; I53-Q113 VanDerWaalsContact CB-O 3.28Å; I53-Q113 WeakPolarHBondContact CB-O 3.26Å
54	A	98.3	Very high	95	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.2	163.6	0	0	0	0	0	109.7	Y66 M68 C112 Q113 W115	A54-Y66 HydrophobicContact CB-CD2 4.23Å; A54-Y66 HydrophobicContact CB-CE2 3.87Å; A54-M68 CarbonylContact C-O 3.54Å; A54-M68 VanDerWaalsContact CA-O 3.28Å; A54-M68 WeakPolarHBondContact CA-O 3.25Å; A54-C112 CarbonylContact O-C 3.55Å; A54-C112 WeakPolarHBondContact O-CA 3.39Å; A54-Q113 PolarHBondContact N-O 3.01Å; A54-Q113 PolarHBondContact O-N 3.37Å; A54-W115 HydrophobicContact CB-CH2 3.72Å; A54-W115 HydrophobicContact CB-CZ2 3.95Å
55	W	98.6	Very high	95.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	137.2	167.9	-78.3	107	0	0	0	110.3	L40 C42 I53 L67 M68 L97 Y111 C112	L40-W55 HydrophobicContact CB-CH2 4.02Å; L40-W55 HydrophobicContact CB-CZ3 4.44Å; C42-W55 HydrophobicContact CB-CH2 3.7Å; C42-W55 HydrophobicContact CB-CZ2 3.59Å; I53-W55 HydrophobicContact CD1-CD2 4.39Å; I53-W55 HydrophobicContact CD1-CG 4.49Å; I53-W55 HydrophobicContact CD1-CZ2 4.23Å; W55-L67 HydrophobicContact CB-CB 4.24Å; W55-L67 HydrophobicContact CB-CD1 4.27Å; W55-L67 WeakPolarHBondContact O-CB 3.39Å; W55-L67 PolarHBondContact O-N 3.22Å; W55-M68 HydrophobicContact CB-CG 4.18Å; W55-M68 PolarHBondContact N-O 3.49Å; W55-M68 PolarHBondContact O-N 3.36Å; W55-L97 HydrophobicContact CB-CD2 4.22Å; W55-L97 HydrophobicContact CD2-CB 3.79Å; W55-L97 HydrophobicContact CD2-CD2 4.03Å; W55-L97 HydrophobicContact CD2-CG 4.48Å; W55-L97 HydrophobicContact CE3-CB 4.38Å; W55-L97 HydrophobicContact CE3-CD2 4.14Å; W55-L97 HydrophobicContact CG-CB 4.04Å; W55-L97 HydrophobicContact CG-CD1 4.47Å; W55-L97 HydrophobicContact CG-CD2 4.08Å; W55-L97 HydrophobicContact CG-CG 4.45Å; W55-L97 HydrophobicContact CZ2-CB 3.96Å; W55-Y111 CarbonylContact C-O 3.59Å; W55-Y111 WeakPolarHBondContact CA-O 3.44Å; W55-C112 HydrophobicContact CD2-CB 4.3Å; W55-C112 HydrophobicContact CE3-CB 4.11Å; W55-C112 HydrophobicContact CH2-CB 4.18Å; W55-C112 HydrophobicContact CZ2-CB 4.37Å; W55-C112 HydrophobicContact CZ3-CB 4.04Å
56	H	98.3	Very high	95.3	Very high	31 Å²	31	61.7 Å²	61.7	14%	0.144	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.8	175.5	-58	84.8	0	0	0	110	R65 Y66 Y110 Y111 Q113	H56-R65 CarbonylContact C-O 3.55Å; H56-R65 VanDerWaalsContact CA-O 3.22Å; H56-R65 WeakPolarHBondContact CA-O 3.4Å; H56-Y66 AromaticContact NE2-CD2 3.91Å; H56-Y110 VanDerWaalsContact O-CA 3.3Å; H56-Y110 WeakPolarHBondContact O-CA 3.38Å; H56-Y111 PolarHBondContact N-O 3.36Å; H56-Y111 PolarHBondContact O-N 2.76Å; H56-Q113 PolarHBondContact CE1-OE1 3.02Å
57	Q	98.3	Very high	95.8	Very high	10 Å²	10	56.9 Å²	56.9	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137.1	172	-176.7	-173.5	34.6	0	0	109	R65 L67 E105 A108 D109 Y110	Q57-R65 PolarHBondContact N-O 2.81Å; Q57-R65 PolarHBondContact O-N 3.1Å; Q57-L67 HydrophobicContact CB-CD1 3.98Å; Q57-L67 HydrophobicContact CB-CD2 3.73Å; Q57-L67 HydrophobicContact CB-CG 3.97Å; Q57-E105 PolarHBondContact NE2-O 2.65Å; Q57-A108 HydrophobicContact CG-CB 3.42Å; Q57-A108 VanDerWaalsContact CG-CB 3.42Å; Q57-D109 CarbonylContact C-O 3.6Å; Q57-D109 WeakPolarHBondContact CA-O 3.44Å; Q57-Y110 HydrophobicContact CB-CD1 4.25Å; Q57-Y110 HydrophobicContact CB-CE1 3.93Å; Q57-Y110 HydrophobicContact CG-CD1 4.47Å; Q57-Y110 HydrophobicContact CG-CE1 3.88Å; Q57-Y110 HydrophobicContact CG-CE2 4.47Å; Q57-Y110 PolarHBondContact NE2-OH 3.29Å
58	Q	98	Very high	96.3	Very high	58 Å²	58	53.9 Å²	53.9	27%	0.271	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	108.4	174.8	-169.4	173.2	5.5	0	0	110	K62 A108 D109 Y111	Q58-K62 VanDerWaalsContact CG-O 3.27Å; Q58-K62 WeakPolarHBondContact CG-O 3.43Å; Q58-K62 PolarHBondContact NE2-O 3.22Å; Q58-A108 WeakPolarHBondContact O-CB 3.47Å; Q58-D109 HydrophobicContact CB-CB 4.46Å; Q58-D109 PolarHBondContact N-O 3.24Å; Q58-D109 PolarHBondContact O-N 2.72Å; Q58-Y111 HydrophobicContact CB-CD2 4.43Å; Q58-Y111 HydrophobicContact CB-CE2 3.94Å
59	Q	96.4	Very high	96.6	Very high	45 Å²	45	56.8 Å²	56.8	21%	0.21	30%	0.302	C	S	.	.			trans	-77.5	157.7	170.5	-72.7	174.3	-6.1	0	0	110.1	E61 K62 E105 A108	Q59-E61 PolarHBondContact O-N 2.79Å; Q59-K62 HydrophobicContact CB-CB 4.36Å; Q59-K62 HydrophobicContact CB-CD 4.06Å; Q59-K62 HydrophobicContact CB-CG 4.29Å; Q59-K62 PolarHBondContact O-N 2.85Å; Q59-E105 PolarHBondContact NE2-O 3.34Å; Q59-A108 HydrophobicContact CG-CB 3.92Å
60	P	95.1	Very high	96.9	Very high	104 Å²	104	54.1 Å²	54.1	68%	0.675	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	136.4	174	-27.2	35	0	0	0	111.5	K62	P60-K62 PolarHBondContact O-N 3.5Å
61	E	94.4	Very high	97.1	Very high	205 Å²	205	52.6 Å²	52.6	96%	0.958	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	7.1	178.1	-50.8	179.2	168.2	0	0	115.5	Q59	Q59-E61 PolarHBondContact O-N 2.79Å
62	K	94.6	Very high	97.2	Very high	123 Å²	123	53 Å²	53	54%	0.535	28%	0.278	S	S	.	.	S	Bend	trans	-108	155.6	174.8	-59.6	-168.3	-172.1	169.8	0	111.3	Q58 Q59 P60	Q58-K62 VanDerWaalsContact CG-O 3.27Å; Q58-K62 WeakPolarHBondContact CG-O 3.43Å; Q58-K62 PolarHBondContact NE2-O 3.22Å; Q59-K62 HydrophobicContact CB-CB 4.36Å; Q59-K62 HydrophobicContact CB-CD 4.06Å; Q59-K62 HydrophobicContact CB-CG 4.29Å; Q59-K62 PolarHBondContact O-N 2.85Å; P60-K62 PolarHBondContact O-N 3.5Å
63	G	95.4	Very high	97.2	Very high	54 Å²	54	58 Å²	58	56%	0.557	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-72	163.5	169	0	0	0	0	0	111.9	R65	G63-R65 PolarHBondContact O-N 2.86Å
64	P	96.8	Very high	97.2	Very high	88 Å²	88	58.8 Å²	58.8	57%	0.571	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-59.8	128.2	174.4	-22.9	33.6	0	0	0	112
65	R	97.6	Very high	97.1	Very high	111 Å²	111	61.3 Å²	61.3	42%	0.419	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.2	172.2	-178.7	-176.7	-178.3	-170.7	1.5	109.4	H56 Q57 G63 D80 G81	H56-R65 CarbonylContact C-O 3.55Å; H56-R65 VanDerWaalsContact CA-O 3.22Å; H56-R65 WeakPolarHBondContact CA-O 3.4Å; Q57-R65 PolarHBondContact N-O 2.81Å; Q57-R65 PolarHBondContact O-N 3.1Å; G63-R65 PolarHBondContact O-N 2.86Å; R65-D80 PolarHBondContact NH2-O 2.81Å; R65-G81 PolarHBondContact NH2-O 3.46Å
66	Y	98.1	Very high	97.1	Very high	86 Å²	86	64.6 Å²	64.6	34%	0.337	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.4	172.3	173.3	-99.3	0	0	0	111.4	A54 H56 M68 K69	A54-Y66 HydrophobicContact CB-CD2 4.23Å; A54-Y66 HydrophobicContact CB-CE2 3.87Å; H56-Y66 AromaticContact NE2-CD2 3.91Å; Y66-M68 VanDerWaalsContact CZ-C 3.47Å; Y66-M68 VanDerWaalsContact OH-C 3.3Å; Y66-K69 VanDerWaalsContact OH-CB 3.23Å; Y66-K69 WeakPolarHBondContact OH-CB 3.34Å; Y66-K69 PolarHBondContact OH-N 2.88Å
67	L	98.6	Very high	97.1	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-57	177.4	-59.4	179.3	0	0	0	112	W55 Q57 K78 G79 I82 F86 L97 Y110	W55-L67 HydrophobicContact CB-CB 4.24Å; W55-L67 HydrophobicContact CB-CD1 4.27Å; W55-L67 WeakPolarHBondContact O-CB 3.39Å; W55-L67 PolarHBondContact O-N 3.22Å; Q57-L67 HydrophobicContact CB-CD1 3.98Å; Q57-L67 HydrophobicContact CB-CD2 3.73Å; Q57-L67 HydrophobicContact CB-CG 3.97Å; L67-K78 CarbonylContact O-C 3.51Å; L67-K78 WeakPolarHBondContact O-CA 3.44Å; L67-G79 PolarHBondContact O-N 3.37Å; L67-I82 HydrophobicContact CD2-CD1 3.53Å; L67-F86 HydrophobicContact CD1-CD1 4.28Å; L67-F86 HydrophobicContact CD1-CE1 4.23Å; L67-F86 HydrophobicContact CD2-CE1 4.5Å; L67-L97 HydrophobicContact CD1-CD2 3.65Å; L67-Y110 HydrophobicContact CD1-CD1 3.75Å; L67-Y110 HydrophobicContact CD1-CE1 3.58Å
68	M	98.5	Very high	97.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	156.8	-175.8	63.3	179.9	66.7	0	0	112.5	A54 W55 Y66 H76 S77 K78 F86 L97	A54-M68 CarbonylContact C-O 3.54Å; A54-M68 VanDerWaalsContact CA-O 3.28Å; A54-M68 WeakPolarHBondContact CA-O 3.25Å; W55-M68 HydrophobicContact CB-CG 4.18Å; W55-M68 PolarHBondContact N-O 3.49Å; W55-M68 PolarHBondContact O-N 3.36Å; Y66-M68 VanDerWaalsContact CZ-C 3.47Å; Y66-M68 VanDerWaalsContact OH-C 3.3Å; M68-H76 HydrophobicContact SD-CB 4.28Å; M68-S77 CarbonylContact C-O 3.4Å; M68-S77 WeakPolarHBondContact CA-O 3.32Å; M68-S77 WeakPolarHBondContact CB-O 3.22Å; M68-K78 HydrophobicContact CE-CG 4.42Å; M68-F86 HydrophobicContact CE-CB 3.82Å; M68-L97 HydrophobicContact CE-CD1 3.55Å; M68-L97 HydrophobicContact CG-CD1 4.47Å; M68-L97 HydrophobicContact SD-CD1 3.79Å
69	K	98.3	Very high	97.1	Very high	79 Å²	79	66.6 Å²	66.6	34%	0.343	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.3	164.2	175.1	-176.7	174.6	-175.4	0	107.5	A52 I53 Y66 N71 H76 S77	A52-K69 HydrophobicContact CB-CG 4.41Å; I53-K69 CarbonylContact O-C 3.53Å; I53-K69 VanDerWaalsContact O-CA 3.31Å; I53-K69 WeakPolarHBondContact O-CA 3.39Å; Y66-K69 VanDerWaalsContact OH-CB 3.23Å; Y66-K69 WeakPolarHBondContact OH-CB 3.34Å; Y66-K69 PolarHBondContact OH-N 2.88Å; K69-N71 WeakPolarHBondContact CE-OD1 3.43Å; K69-H76 CarbonylContact O-C 3.55Å; K69-H76 WeakPolarHBondContact O-CA 3.2Å; K69-H76 WeakPolarHBondContact O-CB 3.09Å; K69-S77 PolarHBondContact N-O 3.21Å; K69-S77 PolarHBondContact O-N 3.33Å
70	L	98.1	Very high	97.1	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.1	-179.7	176.1	60	0	0	0	110	A52 I53 G74 H76 S89 R95 Y96	A52-L70 VanDerWaalsContact CA-O 3.3Å; A52-L70 WeakPolarHBondContact CA-O 3.37Å; I53-L70 HydrophobicContact CG1-CB 4.16Å; I53-L70 PolarHBondContact N-O 2.85Å; I53-L70 PolarHBondContact O-N 2.76Å; L70-G74 WeakPolarHBondContact CD1-O 2.98Å; L70-H76 HydrophobicContact CB-CB 4.45Å; L70-H76 HydrophobicContact CD1-CB 3.99Å; L70-S89 WeakPolarHBondContact CD2-O 3.38Å; L70-R95 HydrophobicContact CD2-CB 3.81Å; L70-R95 HydrophobicContact CD2-CG 4.48Å; L70-Y96 WeakPolarHBondContact CD2-O 3.4Å
71	N	97.2	Very high	97.2	Very high	47 Å²	47	70.3 Å²	70.3	25%	0.251	40%	0.395	S	S	.	.			trans	-86.5	168.1	179.5	-60.8	-50.5	0	0	0	111.6	K69 D73 G74 S75 S90	K69-N71 WeakPolarHBondContact CE-OD1 3.43Å; N71-D73 VanDerWaalsContact C-N 3.26Å; N71-D73 VanDerWaalsContact CB-OD1 3.32Å; N71-D73 WeakPolarHBondContact CB-OD1 3.42Å; N71-D73 PolarHBondContact O-N 3.37Å; N71-G74 PolarHBondContact O-N 3.02Å; N71-G74 VanDerWaalsContact O-N 3.11Å; N71-S75 PolarHBondContact N-O 2.85Å; N71-S75 PolarHBondContact ND2-O 3.13Å; N71-S75 PolarHBondContact ND2-OG 2.85Å; N71-S90 PolarHBondContact O-OG 3.19Å
72	S	96.1	Very high	97.4	Very high	52 Å²	52	61.2 Å²	61.2	36%	0.364	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.4	-179.9	47.3	0	0	0	0	114.3	S49 S50 G74 S90 R95	S49-S72 WeakPolarHBondContact O-CB 3.21Å; S50-S72 WeakPolarHBondContact O-CB 3.34Å; S50-S72 PolarHBondContact O-OG 2.89Å; S50-S72 VanDerWaalsContact O-OG 3.08Å; S72-G74 VanDerWaalsContact C-N 3.29Å; S72-S90 WeakPolarHBondContact O-CB 2.98Å; S72-R95 VanDerWaalsContact CB-NH2 3.29Å
73	D	96.4	Very high	97.6	Very high	124 Å²	124	57.5 Å²	57.5	66%	0.663	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-2.4	174.3	67.4	-4.3	0	0	0	113.8	N71 S75	N71-D73 VanDerWaalsContact C-N 3.26Å; N71-D73 VanDerWaalsContact CB-OD1 3.32Å; N71-D73 WeakPolarHBondContact CB-OD1 3.42Å; N71-D73 PolarHBondContact O-N 3.37Å; D73-S75 VanDerWaalsContact C-N 3.35Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 2.94Å; D73-S75 PolarHBondContact OD1-N 3.49Å; D73-S75 PolarHBondContact OD1-OG 3.1Å; D73-S75 PolarHBondContact OD2-OG 3.11Å
74	G	97.1	Very high	97.7	Very high	17 Å²	17	62 Å²	62	18%	0.175	35%	0.352	C	S	.	.	S	Bend	trans	88.9	-7	-178.2	0	0	0	0	0	114.7	L70 N71 S72 H76	L70-G74 WeakPolarHBondContact CD1-O 2.98Å; N71-G74 PolarHBondContact O-N 3.02Å; N71-G74 VanDerWaalsContact O-N 3.11Å; S72-G74 VanDerWaalsContact C-N 3.29Å; G74-H76 PolarHBondContact O-ND1 3.02Å
75	S	97.9	Very high	97.8	Very high	53 Å²	53	59.6 Å²	59.6	37%	0.371	33%	0.332	S	S	.	.			trans	-65	141.7	172	67.1	0	0	0	0	110.5	N71 D73	N71-S75 PolarHBondContact N-O 2.85Å; N71-S75 PolarHBondContact ND2-O 3.13Å; N71-S75 PolarHBondContact ND2-OG 2.85Å; D73-S75 VanDerWaalsContact C-N 3.35Å; D73-S75 VanDerWaalsContact OD1-CB 3.27Å; D73-S75 WeakPolarHBondContact OD1-CB 2.94Å; D73-S75 PolarHBondContact OD1-N 3.49Å; D73-S75 PolarHBondContact OD1-OG 3.1Å; D73-S75 PolarHBondContact OD2-OG 3.11Å
76	H	98.1	Very high	97.8	Very high	69 Å²	69	54.5 Å²	54.5	32%	0.319	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.1	-178.5	57.9	-84.1	0	0	0	113	M68 K69 L70 G74 G88	M68-H76 HydrophobicContact SD-CB 4.28Å; K69-H76 CarbonylContact O-C 3.55Å; K69-H76 WeakPolarHBondContact O-CA 3.2Å; K69-H76 WeakPolarHBondContact O-CB 3.09Å; L70-H76 HydrophobicContact CB-CB 4.45Å; L70-H76 HydrophobicContact CD1-CB 3.99Å; G74-H76 PolarHBondContact O-ND1 3.02Å; H76-G88 PolarHBondContact CE1-N 3.04Å; H76-G88 PolarHBondContact CE1-O 2.96Å; H76-G88 PolarHBondContact ND1-N 2.93Å; H76-G88 PolarHBondContact ND1-O 3.05Å; H76-G88 PolarHBondContact NE2-N 3.49Å
77	S	98	Very high	97.8	Very high	66 Å²	66	52.5 Å²	52.5	46%	0.462	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.6	170.7	59	0	0	0	0	109.7	M68 K69	M68-S77 CarbonylContact C-O 3.4Å; M68-S77 WeakPolarHBondContact CA-O 3.32Å; M68-S77 WeakPolarHBondContact CB-O 3.22Å; K69-S77 PolarHBondContact N-O 3.21Å; K69-S77 PolarHBondContact O-N 3.33Å
78	K	98.4	Very high	97.8	Very high	62 Å²	62	53 Å²	53	27%	0.27	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	151.5	-179.6	-62.1	-179.1	-173.5	-173	0	110.9	L67 M68 I82 P83 D84 F86	L67-K78 CarbonylContact O-C 3.51Å; L67-K78 WeakPolarHBondContact O-CA 3.44Å; M68-K78 HydrophobicContact CE-CG 4.42Å; K78-I82 HydrophobicContact CB-CB 4.11Å; K78-I82 HydrophobicContact CB-CG2 4.3Å; K78-I82 HydrophobicContact CD-CG2 4.16Å; K78-I82 HydrophobicContact CG-CG2 4.38Å; K78-P83 PolarHBondContact NZ-O 2.86Å; K78-D84 VanDerWaalsContact NZ-CA 3.27Å; K78-D84 PolarHBondContact NZ-O 2.7Å; K78-D84 IonicContact NZ-OD1 3.51Å; K78-F86 WeakPolarHBondContact CE-O 3.43Å; K78-F86 PolarHBondContact NZ-O 2.82Å
79	G	97.9	Very high	97.8	Very high	14 Å²	14	55.3 Å²	55.3	14%	0.144	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-71.2	170.7	165.9	0	0	0	0	0	112	L67 G81 I82	L67-G79 PolarHBondContact O-N 3.37Å; G79-G81 PolarHBondContact O-N 3.23Å; G79-I82 WeakPolarHBondContact O-CB 3.4Å; G79-I82 VanDerWaalsContact O-CG1 3.28Å; G79-I82 WeakPolarHBondContact O-CG1 3.49Å; G79-I82 PolarHBondContact O-N 3.34Å
80	D	97.1	Very high	97.8	Very high	160 Å²	160	52.9 Å²	52.9	86%	0.856	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	135.7	-179.4	-62.5	-33	0	0	0	112.1	R65 I82	R65-D80 PolarHBondContact NH2-O 2.81Å; D80-I82 PolarHBondContact O-N 2.88Å
81	G	97.4	Very high	97.7	Very high	67 Å²	67	56.1 Å²	56.1	69%	0.691	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	19.2	178.9	0	0	0	0	0	114.4	R65 G79 P83	R65-G81 PolarHBondContact NH2-O 3.46Å; G79-G81 PolarHBondContact O-N 3.23Å; G81-P83 WeakPolarHBondContact O-CD 3.28Å
82	I	98	Very high	97.7	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.072	36%	0.363	C	S	.	.			trans	-83.2	119.9	173.6	-60.9	-64.3	0	0	0	109.1	L67 K78 G79 D80 F86	L67-I82 HydrophobicContact CD2-CD1 3.53Å; K78-I82 HydrophobicContact CB-CB 4.11Å; K78-I82 HydrophobicContact CB-CG2 4.3Å; K78-I82 HydrophobicContact CD-CG2 4.16Å; K78-I82 HydrophobicContact CG-CG2 4.38Å; G79-I82 WeakPolarHBondContact O-CB 3.4Å; G79-I82 VanDerWaalsContact O-CG1 3.28Å; G79-I82 WeakPolarHBondContact O-CG1 3.49Å; G79-I82 PolarHBondContact O-N 3.34Å; D80-I82 PolarHBondContact O-N 2.88Å; I82-F86 HydrophobicContact CG2-CB 3.96Å; I82-F86 HydrophobicContact CG2-CD2 4.2Å; I82-F86 HydrophobicContact CG2-CG 4.12Å
83	P	98	Very high	97.7	Very high	44 Å²	44	55.4 Å²	55.4	29%	0.286	36%	0.357	S	S	.	.			trans	-64.4	159.6	-173.8	-26.4	37.4	0	0	0	114.7	K78 G81 R85 F86	K78-P83 PolarHBondContact NZ-O 2.86Å; G81-P83 WeakPolarHBondContact O-CD 3.28Å; P83-R85 HydrophobicContact CB-CG 4.1Å; P83-R85 PolarHBondContact O-N 2.79Å; P83-R85 VanDerWaalsContact O-N 3.16Å; P83-F86 HydrophobicContact CB-CD2 4.32Å; P83-F86 HydrophobicContact CG-CD2 4.48Å; P83-F86 HydrophobicContact CG-CE2 4.42Å; P83-F86 PolarHBondContact O-N 2.73Å
84	D	97.9	Very high	97.7	Very high	149 Å²	149	52.8 Å²	52.8	80%	0.797	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.5	-179.1	-78.2	-29.3	0	0	0	114.4	K78 F86	K78-D84 VanDerWaalsContact NZ-CA 3.27Å; K78-D84 PolarHBondContact NZ-O 2.7Å; K78-D84 IonicContact NZ-OD1 3.51Å; D84-F86 PolarHBondContact O-N 2.88Å
85	R	98.2	Very high	97.8	Very high	38 Å²	38	52 Å²	52	14%	0.143	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.6	177.1	78.2	178.3	174.2	-100.1	10.1	114.6	P83 I99 S100 E105 D106	P83-R85 HydrophobicContact CB-CG 4.1Å; P83-R85 PolarHBondContact O-N 2.79Å; P83-R85 VanDerWaalsContact O-N 3.16Å; R85-I99 HydrophobicContact CG-CG2 4.23Å; R85-I99 WeakPolarHBondContact O-CA 3.2Å; R85-S100 WeakPolarHBondContact CA-OG 3.34Å; R85-S100 VanDerWaalsContact CB-O 3.25Å; R85-S100 WeakPolarHBondContact CB-O 3.11Å; R85-S100 WeakPolarHBondContact CD-O 3.05Å; R85-S100 PolarHBondContact O-N 3.35Å; R85-S100 PolarHBondContact O-OG 3.39Å; R85-E105 IonicContact CZ-OE1 2.87Å; R85-E105 IonicContact NH1-OE1 2.76Å; R85-E105 IonicContact NH2-OE1 3.45Å; R85-E105 PolarHBondContact NH2-OE1 3.36Å; R85-D106 IonicContact CZ-OD1 3.71Å; R85-D106 IonicContact CZ-OD2 3.58Å; R85-D106 IonicContact NE-OD1 3.05Å; R85-D106 PolarHBondContact NE-OD1 3.37Å; R85-D106 IonicContact NE-OD2 3.72Å; R85-D106 PolarHBondContact NE-OD2 3.4Å; R85-D106 IonicContact NH2-OD1 3.32Å; R85-D106 PolarHBondContact NH2-OD1 3.22Å; R85-D106 IonicContact NH2-OD2 3.96Å
86	F	98.6	Very high	97.8	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.6	173.2	-69.4	-98.4	0	0	0	109.8	L67 M68 K78 I82 P83 D84 L97 T98 I99 D106 Y110	L67-F86 HydrophobicContact CD1-CD1 4.28Å; L67-F86 HydrophobicContact CD1-CE1 4.23Å; L67-F86 HydrophobicContact CD2-CE1 4.5Å; M68-F86 HydrophobicContact CE-CB 3.82Å; K78-F86 WeakPolarHBondContact CE-O 3.43Å; K78-F86 PolarHBondContact NZ-O 2.82Å; I82-F86 HydrophobicContact CG2-CB 3.96Å; I82-F86 HydrophobicContact CG2-CD2 4.2Å; I82-F86 HydrophobicContact CG2-CG 4.12Å; P83-F86 HydrophobicContact CB-CD2 4.32Å; P83-F86 HydrophobicContact CG-CD2 4.48Å; P83-F86 HydrophobicContact CG-CE2 4.42Å; P83-F86 PolarHBondContact O-N 2.73Å; D84-F86 PolarHBondContact O-N 2.88Å; F86-L97 HydrophobicContact CD1-CD1 4.2Å; F86-T98 CarbonylContact C-O 3.55Å; F86-T98 WeakPolarHBondContact CA-O 3.4Å; F86-I99 HydrophobicContact CD1-CD1 4.22Å; F86-I99 HydrophobicContact CD1-CG1 3.8Å; F86-I99 HydrophobicContact CD1-CG2 4.46Å; F86-I99 HydrophobicContact CE1-CD1 3.59Å; F86-I99 HydrophobicContact CE1-CG1 3.66Å; F86-I99 HydrophobicContact CE1-CG2 4.14Å; F86-I99 HydrophobicContact CE2-CG2 4.33Å; F86-I99 HydrophobicContact CZ-CD1 4.23Å; F86-I99 HydrophobicContact CZ-CG1 4.41Å; F86-I99 HydrophobicContact CZ-CG2 4.06Å; F86-D106 VanDerWaalsContact CZ-OD1 3.32Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.38Å; F86-Y110 HydrophobicContact CE1-CE1 4.11Å
87	S	98.4	Very high	97.8	Very high	44 Å²	44	47.6 Å²	47.6	31%	0.308	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.1	174.7	56.2	0	0	0	0	112	T98	S87-T98 PolarHBondContact N-O 3.01Å; S87-T98 PolarHBondContact O-N 3.42Å
88	G	98.4	Very high	97.9	Very high	10 Å²	10	45.9 Å²	45.9	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.4	176.3	0	0	0	0	0	112.3	H76 Y96	H76-G88 PolarHBondContact CE1-N 3.04Å; H76-G88 PolarHBondContact CE1-O 2.96Å; H76-G88 PolarHBondContact ND1-N 2.93Å; H76-G88 PolarHBondContact ND1-O 3.05Å; H76-G88 PolarHBondContact NE2-N 3.49Å; G88-Y96 WeakPolarHBondContact CA-O 3.38Å
89	S	98.4	Very high	97.9	Very high	49 Å²	49	43 Å²	43	34%	0.343	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.3	166.7	54.2	0	0	0	0	110.5	L70 Y96	L70-S89 WeakPolarHBondContact CD2-O 3.38Å; S89-Y96 PolarHBondContact N-O 3.32Å; S89-Y96 VanDerWaalsContact N-O 3.1Å; S89-Y96 WeakPolarHBondContact O-CD2 3.43Å; S89-Y96 PolarHBondContact O-N 2.95Å; S89-Y96 WeakPolarHBondContact OG-CD2 3.13Å
90	S	98.1	Very high	97.9	Very high	28 Å²	28	44.5 Å²	44.5	20%	0.196	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.9	-173.6	-61.6	0	0	0	0	111.1	N71 S72 E94 R95	N71-S90 PolarHBondContact O-OG 3.19Å; S72-S90 WeakPolarHBondContact O-CB 2.98Å; S90-E94 WeakPolarHBondContact CA-O 3.44Å; S90-R95 WeakPolarHBondContact OG-CD 3.38Å
91	S	97.2	Very high	97.9	Very high	68 Å²	68	39.9 Å²	39.9	48%	0.476	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	108.1	173.2	-179.4	0	0	0	0	109.7	A93 E94	S91-A93 PolarHBondContact O-N 2.82Å; S91-A93 VanDerWaalsContact O-N 3.11Å; S91-E94 PolarHBondContact N-O 2.95Å; S91-E94 WeakPolarHBondContact O-CB 3.28Å; S91-E94 PolarHBondContact O-N 2.86Å
92	G	95.5	Very high	98	Very high	55 Å²	55	37.8 Å²	37.8	57%	0.567	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	-117.3	-176	0	0	0	0	0	112	E94 R95	G92-E94 VanDerWaalsContact C-N 3.34Å; G92-R95 PolarHBondContact O-NH1 3.42Å
93	A	96	Very high	98	Very high	28 Å²	28	40.7 Å²	40.7	23%	0.231	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.7	177	0	0	0	0	0	113.9	L44 S91	L44-A93 HydrophobicContact CB-CB 4.47Å; L44-A93 WeakPolarHBondContact CD1-O 3.12Å; L44-A93 PolarHBondContact N-O 3.37Å; L44-A93 WeakPolarHBondContact O-CB 3.28Å; S91-A93 PolarHBondContact O-N 2.82Å; S91-A93 VanDerWaalsContact O-N 3.11Å
94	E	98	Very high	97.9	Very high	69 Å²	69	43 Å²	43	32%	0.322	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	143.3	-178.6	-55.9	-173.9	138.2	0	0	111.3	T41 C42 T43 S90 S91 G92 Y96	T41-E94 HydrophobicContact CG2-CB 4.3Å; T41-E94 HydrophobicContact CG2-CG 4.46Å; C42-E94 CarbonylContact O-C 3.6Å; T43-E94 HydrophobicContact CG2-CG 4.28Å; S90-E94 WeakPolarHBondContact CA-O 3.44Å; S91-E94 PolarHBondContact N-O 2.95Å; S91-E94 WeakPolarHBondContact O-CB 3.28Å; S91-E94 PolarHBondContact O-N 2.86Å; G92-E94 VanDerWaalsContact C-N 3.34Å; E94-Y96 HydrophobicContact CB-CE1 4.04Å; E94-Y96 HydrophobicContact CB-CE2 4.36Å; E94-Y96 PolarHBondContact OE2-OH 2.95Å
95	R	97.9	Very high	97.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.9	178.4	-61.1	-68	179.3	-83	-7	107.6	C42 L44 S49 Y51 I53 L70 S72 S90 G92	C42-R95 HydrophobicContact CB-CB 4.37Å; C42-R95 PolarHBondContact N-O 2.86Å; C42-R95 PolarHBondContact O-N 3.11Å; L44-R95 HydrophobicContact CD1-CG 3.5Å; S49-R95 PolarHBondContact O-NH2 2.77Å; Y51-R95 PolarHBondContact O-NE 3.08Å; Y51-R95 PolarHBondContact O-NH2 3.45Å; I53-R95 HydrophobicContact CD1-CB 3.3Å; I53-R95 HydrophobicContact CD1-CG 3.76Å; I53-R95 HydrophobicContact CG1-CB 3.83Å; I53-R95 HydrophobicContact CG1-CG 3.79Å; I53-R95 HydrophobicContact CG2-CG 4.02Å; L70-R95 HydrophobicContact CD2-CB 3.81Å; L70-R95 HydrophobicContact CD2-CG 4.48Å; S72-R95 VanDerWaalsContact CB-NH2 3.29Å; S90-R95 WeakPolarHBondContact OG-CD 3.38Å; G92-R95 PolarHBondContact O-NH1 3.42Å
96	Y	98.5	Very high	97.8	Very high	30 Å²	30	38.3 Å²	38.3	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.1	-175.6	-50.2	-69.9	0	0	0	111.1	K39 L40 T41 L70 G88 S89 E94	K39-Y96 HydrophobicContact CD-CD1 3.87Å; K39-Y96 HydrophobicContact CD-CG 3.92Å; K39-Y96 HydrophobicContact CG-CD1 4.2Å; K39-Y96 HydrophobicContact CG-CG 4.32Å; L40-Y96 WeakPolarHBondContact O-CA 3.5Å; T41-Y96 HydrophobicContact CG2-CD1 3.89Å; T41-Y96 HydrophobicContact CG2-CE1 3.67Å; T41-Y96 WeakPolarHBondContact OG1-CD1 3.39Å; L70-Y96 WeakPolarHBondContact CD2-O 3.4Å; G88-Y96 WeakPolarHBondContact CA-O 3.38Å; S89-Y96 PolarHBondContact N-O 3.32Å; S89-Y96 VanDerWaalsContact N-O 3.1Å; S89-Y96 WeakPolarHBondContact O-CD2 3.43Å; S89-Y96 PolarHBondContact O-N 2.95Å; S89-Y96 WeakPolarHBondContact OG-CD2 3.13Å; E94-Y96 HydrophobicContact CB-CE1 4.04Å; E94-Y96 HydrophobicContact CB-CE2 4.36Å; E94-Y96 PolarHBondContact OE2-OH 2.95Å
97	L	98.7	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.3	162.1	177.8	65	0	0	0	107.8	K39 L40 W55 L67 M68 F86 I99 Y110	K39-L97 CarbonylContact C-O 3.51Å; K39-L97 WeakPolarHBondContact CA-O 3.28Å; L40-L97 HydrophobicContact CB-CB 4.32Å; L40-L97 HydrophobicContact CD1-CD2 4.18Å; L40-L97 PolarHBondContact N-O 3.47Å; L40-L97 PolarHBondContact O-N 2.91Å; W55-L97 HydrophobicContact CB-CD2 4.22Å; W55-L97 HydrophobicContact CD2-CB 3.79Å; W55-L97 HydrophobicContact CD2-CD2 4.03Å; W55-L97 HydrophobicContact CD2-CG 4.48Å; W55-L97 HydrophobicContact CE3-CB 4.38Å; W55-L97 HydrophobicContact CE3-CD2 4.14Å; W55-L97 HydrophobicContact CG-CB 4.04Å; W55-L97 HydrophobicContact CG-CD1 4.47Å; W55-L97 HydrophobicContact CG-CD2 4.08Å; W55-L97 HydrophobicContact CG-CG 4.45Å; W55-L97 HydrophobicContact CZ2-CB 3.96Å; L67-L97 HydrophobicContact CD1-CD2 3.65Å; M68-L97 HydrophobicContact CE-CD1 3.55Å; M68-L97 HydrophobicContact CG-CD1 4.47Å; M68-L97 HydrophobicContact SD-CD1 3.79Å; F86-L97 HydrophobicContact CD1-CD1 4.2Å; L97-I99 HydrophobicContact CG-CG1 4.49Å; L97-Y110 HydrophobicContact CD2-CD1 3.63Å; L97-Y110 HydrophobicContact CD2-CE1 3.91Å
98	T	98.6	Very high	97.7	Very high	30 Å²	30	44.6 Å²	44.6	18%	0.184	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130	174.4	-56.4	0	0	0	0	109.1	V38 F86 S87	V38-T98 WeakPolarHBondContact O-CA 3.32Å; F86-T98 CarbonylContact C-O 3.55Å; F86-T98 WeakPolarHBondContact CA-O 3.4Å; S87-T98 PolarHBondContact N-O 3.01Å; S87-T98 PolarHBondContact O-N 3.42Å
99	I	98.5	Very high	97.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	107.5	171.9	-46.2	175	0	0	0	105.7	S37 V38 R85 F86 L97 L102 Y110	S37-I99 VanDerWaalsContact CA-O 3.26Å; S37-I99 WeakPolarHBondContact CA-O 3.49Å; V38-I99 HydrophobicContact CG1-CB 3.94Å; V38-I99 HydrophobicContact CG1-CD1 4.17Å; V38-I99 HydrophobicContact CG1-CG1 4.24Å; V38-I99 PolarHBondContact N-O 2.95Å; V38-I99 PolarHBondContact O-N 2.99Å; R85-I99 HydrophobicContact CG-CG2 4.23Å; R85-I99 WeakPolarHBondContact O-CA 3.2Å; F86-I99 HydrophobicContact CD1-CD1 4.22Å; F86-I99 HydrophobicContact CD1-CG1 3.8Å; F86-I99 HydrophobicContact CD1-CG2 4.46Å; F86-I99 HydrophobicContact CE1-CD1 3.59Å; F86-I99 HydrophobicContact CE1-CG1 3.66Å; F86-I99 HydrophobicContact CE1-CG2 4.14Å; F86-I99 HydrophobicContact CE2-CG2 4.33Å; F86-I99 HydrophobicContact CZ-CD1 4.23Å; F86-I99 HydrophobicContact CZ-CG1 4.41Å; F86-I99 HydrophobicContact CZ-CG2 4.06Å; L97-I99 HydrophobicContact CG-CG1 4.49Å; I99-L102 HydrophobicContact CB-CD1 4.36Å; I99-L102 HydrophobicContact CG2-CD1 4.02Å; I99-Y110 HydrophobicContact CD1-CE1 3.97Å; I99-Y110 HydrophobicContact CD1-CE2 4.32Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.45Å
100	S	98.2	Very high	97.7	Very high	46 Å²	46	47.5 Å²	47.5	32%	0.322	28%	0.282	S	S	.	.	S	Bend	trans	-82.5	158.9	171.9	63.2	0	0	0	0	110.4	R85 L102	R85-S100 WeakPolarHBondContact CA-OG 3.34Å; R85-S100 VanDerWaalsContact CB-O 3.25Å; R85-S100 WeakPolarHBondContact CB-O 3.11Å; R85-S100 WeakPolarHBondContact CD-O 3.05Å; R85-S100 PolarHBondContact O-N 3.35Å; R85-S100 PolarHBondContact O-OG 3.39Å; S100-L102 VanDerWaalsContact C-N 3.32Å; S100-L102 PolarHBondContact O-N 2.88Å
101	S	97.9	Very high	97.7	Very high	63 Å²	63	51 Å²	51	44%	0.441	29%	0.291	S	S	.	.	S	Bend	trans	48.2	52.1	176.8	-176	0	0	0	0	113.2	A36 Q103	A36-S101 PolarHBondContact O-N 2.89Å; S101-Q103 VanDerWaalsContact O-CG 3.25Å; S101-Q103 WeakPolarHBondContact O-CG 3.3Å; S101-Q103 PolarHBondContact O-N 3.11Å
102	L	98.4	Very high	97.7	Very high	23 Å²	23	48.4 Å²	48.4	12%	0.12	27%	0.273	C	S	.	.			trans	-49.7	133.1	-173	-171.3	68.4	0	0	0	112.4	A32 L34 G35 A36 V38 I99 S100 D106	A32-L102 HydrophobicContact CB-CD2 4.05Å; A32-L102 WeakPolarHBondContact O-CD2 3.44Å; L34-L102 CarbonylContact C-O 3.58Å; L34-L102 WeakPolarHBondContact CA-O 3.33Å; G35-L102 PolarHBondContact N-O 2.82Å; A36-L102 WeakPolarHBondContact O-CB 3.36Å; A36-L102 PolarHBondContact O-N 2.63Å; V38-L102 HydrophobicContact CG1-CD1 3.92Å; I99-L102 HydrophobicContact CB-CD1 4.36Å; I99-L102 HydrophobicContact CG2-CD1 4.02Å; S100-L102 VanDerWaalsContact C-N 3.32Å; S100-L102 PolarHBondContact O-N 2.88Å; L102-D106 HydrophobicContact CD1-CB 3.58Å
103	Q	98.3	Very high	97.7	Very high	75 Å²	75	49.7 Å²	49.7	35%	0.35	27%	0.265	S	S	.	.			trans	-117.3	162.6	-178.7	-49.4	-164.9	-69.9	0	0	111.3	S101 E105 D106	S101-Q103 VanDerWaalsContact O-CG 3.25Å; S101-Q103 WeakPolarHBondContact O-CG 3.3Å; S101-Q103 PolarHBondContact O-N 3.11Å; Q103-E105 VanDerWaalsContact CB-CD 3.43Å; Q103-E105 WeakPolarHBondContact CB-OE1 3.31Å; Q103-E105 WeakPolarHBondContact CB-OE2 3.23Å; Q103-E105 PolarHBondContact O-N 3.19Å; Q103-E105 PolarHBondContact OE1-OE1 2.75Å; Q103-D106 PolarHBondContact N-OD2 2.85Å; Q103-D106 WeakPolarHBondContact O-CB 3.3Å; Q103-D106 PolarHBondContact O-N 3.38Å
104	S	96.8	Very high	97.7	Very high	92 Å²	92	49.4 Å²	49.4	64%	0.643	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-63	-29.1	-177.6	48.7	0	0	0	0	113.4	D106 E107	S104-D106 PolarHBondContact O-N 3.08Å; S104-E107 WeakPolarHBondContact O-CB 3.46Å; S104-E107 PolarHBondContact O-N 3.05Å
105	E	96.3	Very high	97.2	Very high	83 Å²	83	51.8 Å²	51.8	39%	0.388	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-77.3	-8.4	176.4	74.3	-82.7	-167.8	0	0	113.8	Q57 Q59 R85 Q103	Q57-E105 PolarHBondContact NE2-O 2.65Å; Q59-E105 PolarHBondContact NE2-O 3.34Å; R85-E105 IonicContact CZ-OE1 2.87Å; R85-E105 IonicContact NH1-OE1 2.76Å; R85-E105 IonicContact NH2-OE1 3.45Å; R85-E105 PolarHBondContact NH2-OE1 3.36Å; Q103-E105 VanDerWaalsContact CB-CD 3.43Å; Q103-E105 WeakPolarHBondContact CB-OE1 3.31Å; Q103-E105 WeakPolarHBondContact CB-OE2 3.23Å; Q103-E105 PolarHBondContact O-N 3.19Å; Q103-E105 PolarHBondContact OE1-OE1 2.75Å
106	D	97.6	Very high	95.9	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.032	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-79.4	-9.7	174.1	-59.6	-34.6	0	0	0	111.5	R85 F86 L102 Q103 S104 A108 Y110	R85-D106 IonicContact CZ-OD1 3.71Å; R85-D106 IonicContact CZ-OD2 3.58Å; R85-D106 IonicContact NE-OD1 3.05Å; R85-D106 PolarHBondContact NE-OD1 3.37Å; R85-D106 IonicContact NE-OD2 3.72Å; R85-D106 PolarHBondContact NE-OD2 3.4Å; R85-D106 IonicContact NH2-OD1 3.32Å; R85-D106 PolarHBondContact NH2-OD1 3.22Å; R85-D106 IonicContact NH2-OD2 3.96Å; F86-D106 VanDerWaalsContact CZ-OD1 3.32Å; F86-D106 WeakPolarHBondContact CZ-OD1 3.38Å; L102-D106 HydrophobicContact CD1-CB 3.58Å; Q103-D106 PolarHBondContact N-OD2 2.85Å; Q103-D106 WeakPolarHBondContact O-CB 3.3Å; Q103-D106 PolarHBondContact O-N 3.38Å; S104-D106 PolarHBondContact O-N 3.08Å; D106-A108 PolarHBondContact O-N 2.91Å; D106-A108 VanDerWaalsContact O-N 3.08Å; D106-Y110 WeakPolarHBondContact O-CE2 3.27Å; D106-Y110 PolarHBondContact O-OH 3.48Å
107	E	97.3	Very high	94	Very high	158 Å²	158	57.7 Å²	57.7	74%	0.738	32%	0.316	S	S	*	.			trans	-66.2	107	173	-170.6	68.4	-161.3	0	0	110.4	S104	S104-E107 WeakPolarHBondContact O-CB 3.46Å; S104-E107 PolarHBondContact O-N 3.05Å
108	A	97.7	Very high	91.4	Very high	22 Å²	22	60.6 Å²	60.6	18%	0.182	35%	0.346	C	S	.	.	S	Bend	trans	-167.3	167.1	-173.1	0	0	0	0	0	111	Q57 Q58 Q59 D106 Y110	Q57-A108 HydrophobicContact CG-CB 3.42Å; Q57-A108 VanDerWaalsContact CG-CB 3.42Å; Q58-A108 WeakPolarHBondContact O-CB 3.47Å; Q59-A108 HydrophobicContact CG-CB 3.92Å; D106-A108 PolarHBondContact O-N 2.91Å; D106-A108 VanDerWaalsContact O-N 3.08Å; A108-Y110 HydrophobicContact CB-CE2 4.01Å; A108-Y110 VanDerWaalsContact O-CD2 3.28Å; A108-Y110 WeakPolarHBondContact O-CD2 3.32Å; A108-Y110 WeakPolarHBondContact O-CE2 3.35Å
109	D	98	Very high	88.5	Confident	92 Å²	92	71 Å²	71	49%	0.492	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	140.4	164	-64.1	-42.8	0	0	0	110.3	Q57 Q58 Y111	Q57-D109 CarbonylContact C-O 3.6Å; Q57-D109 WeakPolarHBondContact CA-O 3.44Å; Q58-D109 HydrophobicContact CB-CB 4.46Å; Q58-D109 PolarHBondContact N-O 3.24Å; Q58-D109 PolarHBondContact O-N 2.72Å; D109-Y111 HydrophobicContact CB-CD2 4.43Å; D109-Y111 HydrophobicContact CB-CE2 3.49Å; D109-Y111 VanDerWaalsContact CB-CE2 3.49Å; D109-Y111 WeakPolarHBondContact CB-OH 3.44Å; D109-Y111 PolarHBondContact OD2-OH 3.09Å
110	Y	98.4	Very high	88	Confident	28 Å²	28	74.5 Å²	74.5	11%	0.11	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.8	178.8	-72.1	-95.3	0	0	0	111.1	Q26 L40 H56 Q57 L67 F86 L97 I99 D106 A108	Q26-Y110 PolarHBondContact NE2-O 3.02Å; L40-Y110 HydrophobicContact CD1-CD1 3.94Å; L40-Y110 HydrophobicContact CD1-CD2 3.8Å; L40-Y110 HydrophobicContact CD1-CE2 4.45Å; L40-Y110 HydrophobicContact CD1-CG 3.5Å; L40-Y110 VanDerWaalsContact CD1-CG 3.5Å; H56-Y110 VanDerWaalsContact O-CA 3.3Å; H56-Y110 WeakPolarHBondContact O-CA 3.38Å; Q57-Y110 HydrophobicContact CB-CD1 4.25Å; Q57-Y110 HydrophobicContact CB-CE1 3.93Å; Q57-Y110 HydrophobicContact CG-CD1 4.47Å; Q57-Y110 HydrophobicContact CG-CE1 3.88Å; Q57-Y110 HydrophobicContact CG-CE2 4.47Å; Q57-Y110 PolarHBondContact NE2-OH 3.29Å; L67-Y110 HydrophobicContact CD1-CD1 3.75Å; L67-Y110 HydrophobicContact CD1-CE1 3.58Å; F86-Y110 HydrophobicContact CE1-CE1 4.11Å; L97-Y110 HydrophobicContact CD2-CD1 3.63Å; L97-Y110 HydrophobicContact CD2-CE1 3.91Å; I99-Y110 HydrophobicContact CD1-CE1 3.97Å; I99-Y110 HydrophobicContact CD1-CE2 4.32Å; I99-Y110 WeakPolarHBondContact CD1-OH 3.45Å; D106-Y110 WeakPolarHBondContact O-CE2 3.27Å; D106-Y110 PolarHBondContact O-OH 3.48Å; A108-Y110 HydrophobicContact CB-CE2 4.01Å; A108-Y110 VanDerWaalsContact O-CD2 3.28Å; A108-Y110 WeakPolarHBondContact O-CD2 3.32Å; A108-Y110 WeakPolarHBondContact O-CE2 3.35Å
111	Y	97.7	Very high	87.4	Confident	100 Å²	100	75.9 Å²	75.9	39%	0.392	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.6	-175.7	-56.4	-78.5	0	0	0	110.9	W55 H56 Q58 D109	W55-Y111 CarbonylContact C-O 3.59Å; W55-Y111 WeakPolarHBondContact CA-O 3.44Å; H56-Y111 PolarHBondContact N-O 3.36Å; H56-Y111 PolarHBondContact O-N 2.76Å; Q58-Y111 HydrophobicContact CB-CD2 4.43Å; Q58-Y111 HydrophobicContact CB-CE2 3.94Å; D109-Y111 HydrophobicContact CB-CD2 4.43Å; D109-Y111 HydrophobicContact CB-CE2 3.49Å; D109-Y111 VanDerWaalsContact CB-CE2 3.49Å; D109-Y111 WeakPolarHBondContact CB-OH 3.44Å; D109-Y111 PolarHBondContact OD2-OH 3.09Å
112	C	97.7	Very high	86.8	Confident	14 Å²	14	76.7 Å²	76.7	10%	0.095	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	140	164.8	66.8	0	0	0	0	110.8	L24 Q26 C42 I53 A54 W55	L24-C112 HydrophobicContact CD1-CB 4.5Å; L24-C112 WeakPolarHBondContact CD1-O 3.28Å; Q26-C112 VanDerWaalsContact CD-SG 3.52Å; Q26-C112 VanDerWaalsContact CG-SG 3.52Å; Q26-C112 PolarHBondContact OE1-SG 3.31Å; C42-C112 HydrophobicContact CB-CB 3.47Å; C42-C112 VanDerWaalsContact CB-CB 3.47Å; C42-C112 WeakPolarHBondContact CB-SG 3.37Å; C42-C112 WeakPolarHBondContact SG-CB 3.42Å; C42-C112 CovalentContact SG-SG 2.02Å; C42-C112 PolarHBondContact SG-SG 3.23Å; I53-C112 HydrophobicContact CD1-CB 3.7Å; A54-C112 CarbonylContact O-C 3.55Å; A54-C112 WeakPolarHBondContact O-CA 3.39Å; W55-C112 HydrophobicContact CD2-CB 4.3Å; W55-C112 HydrophobicContact CE3-CB 4.11Å; W55-C112 HydrophobicContact CH2-CB 4.18Å; W55-C112 HydrophobicContact CZ2-CB 4.37Å; W55-C112 HydrophobicContact CZ3-CB 4.04Å
113	Q	96.2	Very high	86.2	Confident	83 Å²	83	79.8 Å²	79.8	39%	0.388	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.1	174.6	-179.3	-164.6	-33.1	0	0	108.3	I53 A54 H56 W115	I53-Q113 CarbonylContact C-O 3.52Å; I53-Q113 WeakPolarHBondContact CA-O 3.4Å; I53-Q113 VanDerWaalsContact CB-O 3.28Å; I53-Q113 WeakPolarHBondContact CB-O 3.26Å; A54-Q113 PolarHBondContact N-O 3.01Å; A54-Q113 PolarHBondContact O-N 3.37Å; H56-Q113 PolarHBondContact CE1-OE1 3.02Å; Q113-W115 VanDerWaalsContact NE2-NE1 3.17Å
114	T	95	Very high	85.4	Confident	21 Å²	21	80.1 Å²	80.1	13%	0.129	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	161.7	164.6	-168.2	0	0	0	0	108.6	L22 L24 A52	L22-T114 HydrophobicContact CD1-CG2 4.02Å; L22-T114 HydrophobicContact CD2-CG2 3.39Å; L22-T114 HydrophobicContact CG-CG2 3.85Å; L24-T114 HydrophobicContact CD1-CG2 3.94Å; L24-T114 HydrophobicContact CD2-CG2 3.93Å; L24-T114 HydrophobicContact CG-CG2 4.09Å; A52-T114 PolarHBondContact O-OG1 2.5Å
115	W	88.1	Confident	84.6	Confident	120 Å²	120	79.3 Å²	79.3	46%	0.455	43%	0.431	S	S	.	.			trans	-103.7	125.9	170.4	-47	-93	0	0	0	105.2	A52 A54 Q113 T117	A52-W115 HydrophobicContact CB-CZ3 4.4Å; A54-W115 HydrophobicContact CB-CH2 3.72Å; A54-W115 HydrophobicContact CB-CZ2 3.95Å; Q113-W115 VanDerWaalsContact NE2-NE1 3.17Å; W115-T117 PolarHBondContact O-N 3.01Å
116	G	69.7	Low	83.8	Confident	52 Å²	52	79.1 Å²	79.1	54%	0.536	43%	0.434	S	S	.	.			trans	-56.8	113.6	164.7	0	0	0	0	0	106.5	G118	G116-G118 PolarHBondContact O-N 3.23Å
117	T	59.1	Low	82.8	Confident	101 Å²	101	84.7 Å²	84.7	62%	0.62	47%	0.465	S	S	*	.			trans	-72.9	71.8	166.2	56.9	0	0	0	0	106.1	Y51 W115	Y51-T117 WeakPolarHBondContact CE1-OG1 3.41Å; Y51-T117 PolarHBondContact OH-OG1 3.21Å; Y51-T117 VanDerWaalsContact OH-OG1 3.05Å; W115-T117 PolarHBondContact O-N 3.01Å
118	G	44	Very low	81.5	Confident	62 Å²	62	78.6 Å²	78.6	64%	0.639	44%	0.442	S	S	*	.			trans	-116.8	46.7	-169.5	0	0	0	0	0	111.5	G116	G116-G118 PolarHBondContact O-N 3.23Å
119	I	36.9	Very low	80.1	Confident	248 Å²	248	83.7 Å²	83.7	100%	1.272	47%	0.466	S	S	*	.			trans	-164.1	0	151.7	12.9	169.4	0	0	0	110.3

Retrieved 119 of 119 residues in 146 ms (Link to these results)

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