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Probable non-functional immunoglobulin kappa variable 2D-24

Probable non-functional open reading frame (ORF) of V region of the variable domain of immunoglobulin light chains¹. Non-functional ORF generally cannot participate in the synthesis of a productive immunoglobulin chain due to altered V-(D)-J or switch recombination and/or splicing site (at mRNA level) and/or conserved amino acid change (protein level)². 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^3,4. 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^5,6.

AlphaFold DB , UniProt , Accession A0A075B6R9, Species HUMAN (Homo sapiens, Human), Gene IGKV2D-24, Length 120 aa.

						>KVD24_HUMAN|A0A075B6R9|IGKV2D-24
MRLLAQLLGLLMLWVPGSSGDIVMTQTPLSSPVTLGQPASISFRSSQSLVHSDGNTYLSWLQQRPGQPPRLLIYKVSNRFSGVPDRFSGSGAGTDFTLKISRVEAEDVGVYYCTQATQFP
					

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(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	46.5	Very low	54.1	Low	220 Å²	220	144.5 Å²	144.5	100%	1.084	76%	0.756	S	S	*	*				0	93.2	0	-71.2	156.8	70.4	0	0	109.2
2	R	54.3	Low	54	Low	235 Å²	235	146 Å²	146	89%	0.887	76%	0.76	S	S	*	*			trans	-103.4	3.4	176.3	-86.9	-174.8	173.6	-147.3	-0.1	113.4
3	L	54.7	Low	54.1	Low	136 Å²	136	145.3 Å²	145.3	71%	0.712	76%	0.756	S	S	*	*	S	Bend	trans	-80.6	-22.2	-177.2	-86	98.1	0	0	0	114.8	A5 Q6	L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 3.21Å; L3-Q6 PolarHBondContact O-N 3.12Å
4	L	52.6	Low	53.6	Low	140 Å²	140	152 Å²	152	73%	0.733	77%	0.767	S	S	*	*	H	α-helix	trans	-71.5	-27.3	-174	-124.8	124	0	0	0	113.3	Q6	L4-Q6 VanDerWaalsContact C-N 3.32Å; L4-Q6 PolarHBondContact O-N 2.81Å
5	A	57	Low	53.7	Low	85 Å²	85	150.3 Å²	150.3	70%	0.702	77%	0.767	S	S	*	*	H	α-helix	trans	-72.6	-25	180	0	0	0	0	0	113.1	L3	L3-A5 VanDerWaalsContact C-N 3.32Å; L3-A5 PolarHBondContact O-N 3.21Å
6	Q	54.7	Low	53.6	Low	150 Å²	150	147.9 Å²	147.9	70%	0.701	76%	0.764	S	S	*	*	H	α-helix	trans	-82.9	-25.4	-176.6	-63.6	-174.1	-72.4	0	0	112.9	L3 L4	L3-Q6 PolarHBondContact O-N 3.12Å; L4-Q6 VanDerWaalsContact C-N 3.32Å; L4-Q6 PolarHBondContact O-N 2.81Å
7	L	55.9	Low	53.5	Low	146 Å²	146	143.6 Å²	143.6	76%	0.764	77%	0.766	S	S	*	*	H	α-helix	trans	-78.6	-38.1	-178.8	-119.1	98.9	0	0	0	113.3
8	L	55.5	Low	53.6	Low	130 Å²	130	141.5 Å²	141.5	68%	0.681	76%	0.764	S	S	*	*	H	α-helix	trans	-81.4	-25.1	-173.2	-137.5	81.2	0	0	0	113.5	L10 L11	L8-L10 PolarHBondContact O-N 3.5Å; L8-L10 VanDerWaalsContact O-N 3.13Å; L8-L11 PolarHBondContact O-N 3.36Å
9	G	55.7	Low	53.9	Low	46 Å²	46	139.6 Å²	139.6	47%	0.474	76%	0.763	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.2	-16.3	173.4	0	0	0	0	0	114.1
10	L	53.7	Low	54.4	Low	146 Å²	146	134.3 Å²	134.3	76%	0.764	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-26.1	178.1	-116.1	87.6	0	0	0	114.3	L8	L8-L10 PolarHBondContact O-N 3.5Å; L8-L10 VanDerWaalsContact O-N 3.13Å
11	L	54.4	Low	55.5	Low	155 Å²	155	133.7 Å²	133.7	81%	0.812	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-86.9	-17.1	-175.8	-153	76.5	0	0	0	113.2	L8 L13	L8-L11 PolarHBondContact O-N 3.36Å; L11-L13 PolarHBondContact O-N 3.45Å; L11-L13 VanDerWaalsContact O-N 3.16Å
12	M	53.2	Low	57.2	Low	163 Å²	163	125 Å²	125	80%	0.803	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-72.8	5	177.7	-80.1	-74.2	155.8	0	0	114.6
13	L	55.1	Low	58.8	Low	137 Å²	137	118.1 Å²	118.1	72%	0.717	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-129	7.2	-164.5	-100.1	147.5	0	0	0	118.2	L11	L11-L13 PolarHBondContact O-N 3.45Å; L11-L13 VanDerWaalsContact O-N 3.16Å
14	W	47	Very low	60.4	Low	239 Å²	239	116 Å²	116	91%	0.905	67%	0.666	S	S	*	*	S	Bend	trans	-153.1	86.4	174.6	-127.3	71.8	0	0	0	113.5
15	V	54.9	Low	62.3	Low	126 Å²	126	113 Å²	113	76%	0.764	65%	0.653	S	S	*	*				-161.9	107.5	121.9	-176.3	0	0	0	0	106.9	G17	V15-G17 PolarHBondContact O-N 3.5Å
16	P	52.2	Low	63.8	Low	112 Å²	112	112.8 Å²	112.8	73%	0.727	64%	0.638	S	S	*	*			trans	-58.1	111.1	162.5	-18.1	30.6	0	0	0	108	S18	P16-S18 PolarHBondContact O-N 3.3Å
17	G	51.7	Low	65.4	Low	76 Å²	76	109.3 Å²	109.3	78%	0.784	63%	0.627	S	S	*	*			trans	-66.5	82.6	166	0	0	0	0	0	108.4	V15 S19	V15-G17 PolarHBondContact O-N 3.5Å; G17-S19 PolarHBondContact O-N 3.38Å
18	S	55.1	Low	66.5	Low	105 Å²	105	107.6 Å²	107.6	73%	0.734	63%	0.625	S	S	*	*			trans	-79	100.6	161.8	-176.8	0	0	0	0	105.9	P16 G20	P16-S18 PolarHBondContact O-N 3.3Å; S18-G20 PolarHBondContact O-N 2.74Å
19	S	59.3	Low	67.7	Low	106 Å²	106	105.2 Å²	105.2	74%	0.741	61%	0.612	S	S	*	*			trans	-65.7	80	156.4	52.8	0	0	0	0	106.3	G17 D21	G17-S19 PolarHBondContact O-N 3.38Å; S19-D21 PolarHBondContact O-N 3Å
20	G	64.7	Low	68.6	Low	33 Å²	33	108.9 Å²	108.9	34%	0.34	63%	0.631	S	S	.	*			trans	-62.8	129.5	175.7	0	0	0	0	0	108.6	S18	S18-G20 PolarHBondContact O-N 2.74Å
21	D	77	Confident	69.9	Low	121 Å²	121	105.8 Å²	105.8	65%	0.647	62%	0.621	S	S	*	*			trans	-49.3	145.2	169.1	-85.6	-30.5	0	0	0	110.3	S19 V23	S19-D21 PolarHBondContact O-N 3Å; D21-V23 PolarHBondContact O-N 3.42Å; D21-V23 VanDerWaalsContact O-N 3.1Å
22	I	81.9	Confident	71.3	Confident	38 Å²	38	104 Å²	104	20%	0.195	62%	0.619	C	S	.	*			trans	-72.2	110.4	174.9	-68.5	171.7	0	0	0	108.7	M24 S45 L49 Q118	I22-M24 HydrophobicContact CG2-CG 4.21Å; I22-S45 WeakPolarHBondContact CG2-OG 3.1Å; I22-L49 HydrophobicContact CD1-CD2 4.18Å; I22-L49 HydrophobicContact CG2-CD2 4.31Å; I22-Q118 HydrophobicContact CD1-CB 3.11Å; I22-Q118 HydrophobicContact CD1-CG 3.59Å
23	V	88.6	Confident	73.1	Confident	90 Å²	90	100 Å²	100	55%	0.545	60%	0.603	S	S	.	*			trans	-81.5	126.1	175.3	-178.3	0	0	0	0	108.4	D21 S46	D21-V23 PolarHBondContact O-N 3.42Å; D21-V23 VanDerWaalsContact O-N 3.1Å; V23-S46 PolarHBondContact N-OG 3.42Å; V23-S46 PolarHBondContact O-N 2.78Å
24	M	88.5	Confident	74.9	Confident	92 Å²	92	97.4 Å²	97.4	45%	0.453	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	121.6	-178.7	-64.4	-168.3	-58.5	0	0	109.1	I22 F43 Q115	I22-M24 HydrophobicContact CG2-CG 4.21Å; M24-F43 HydrophobicContact CB-CE2 3.6Å; M24-F43 HydrophobicContact CB-CZ 3.57Å; M24-F43 HydrophobicContact CG-CE2 4.07Å; M24-F43 HydrophobicContact CG-CZ 3.52Å; M24-F43 HydrophobicContact SD-CE2 4.07Å; M24-F43 HydrophobicContact SD-CZ 3.51Å; M24-F43 VanDerWaalsContact SD-CZ 3.51Å; M24-Q115 HydrophobicContact SD-CG 3.95Å
25	T	92.5	Very high	77.2	Confident	76 Å²	76	91.4 Å²	91.4	47%	0.466	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118	119.7	-179.5	-58.1	0	0	0	0	110.2	R44	T25-R44 PolarHBondContact N-O 2.87Å; T25-R44 PolarHBondContact O-N 2.87Å
26	Q	88.6	Confident	79.2	Confident	82 Å²	82	87.3 Å²	87.3	38%	0.383	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99	123.8	172.1	-172	164.7	-38.8	0	0	109.3	I41 Y111	Q26-I41 HydrophobicContact CG-CG2 3.96Å; Q26-Y111 PolarHBondContact NE2-O 2.62Å; Q26-Y111 PolarHBondContact OE1-O 2.83Å
27	T	87.6	Confident	81.3	Confident	77 Å²	77	87.3 Å²	87.3	47%	0.472	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82	126.8	178.9	-51.3	0	0	0	0	109.4	S42	T27-S42 PolarHBondContact N-O 3.3Å
28	P	79	Confident	83.4	Confident	110 Å²	110	87.5 Å²	87.5	71%	0.714	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-58.7	148.9	172.5	-22.3	33	0	0	0	111.5	S30	P28-S30 PolarHBondContact O-N 2.85Å
29	L	80.5	Confident	85.3	Confident	79 Å²	79	83.1 Å²	83.1	41%	0.414	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-61.6	126.4	169.6	-77.1	150.8	0	0	0	109.2	S31 V33 A39 S40 I41	L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 2.88Å; L29-V33 HydrophobicContact CD1-CG2 3.64Å; L29-A39 HydrophobicContact CD2-CB 4.45Å; L29-S40 WeakPolarHBondContact CD2-O 3.42Å; L29-I41 HydrophobicContact CD1-CG1 4.3Å; L29-I41 HydrophobicContact CG-CG1 4.49Å
30	S	75.6	Confident	87	Confident	123 Å²	123	80.5 Å²	80.5	86%	0.86	49%	0.492	S	S	*	.	S	Bend	trans	-77.3	-16.2	-178.6	57.9	0	0	0	0	113.6	P28	P28-S30 PolarHBondContact O-N 2.85Å
31	S	80.3	Confident	88.4	Confident	81 Å²	81	79.8 Å²	79.8	57%	0.566	48%	0.48	S	S	*	.	S	Bend	trans	-130.1	149.8	-178.5	-64.9	0	0	0	0	110.5	L29 V33	L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 2.88Å; S31-V33 PolarHBondContact O-N 2.93Å
32	P	84.9	Confident	89.3	Confident	119 Å²	119	76.4 Å²	76.4	77%	0.773	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-55.1	138.2	171.5	-22.6	32.9	0	0	0	110.9	T34	P32-T34 PolarHBondContact O-N 3.16Å
33	V	89.5	Confident	89.9	Confident	77 Å²	77	74.9 Å²	74.9	47%	0.467	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-76.8	118.8	175.3	-176.9	0	0	0	0	108.8	L29 S31 A39 V103	L29-V33 HydrophobicContact CD1-CG2 3.64Å; S31-V33 PolarHBondContact O-N 2.93Å; V33-A39 HydrophobicContact CG1-CB 4.11Å; V33-A39 HydrophobicContact CG2-CB 4.35Å; V33-V103 HydrophobicContact CG1-CB 4.01Å; V33-V103 HydrophobicContact CG1-CG1 3.64Å; V33-V103 HydrophobicContact CG1-CG2 3.68Å
34	T	94	Very high	90.2	Very high	84 Å²	84	77.4 Å²	77.4	52%	0.515	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-102.7	134.8	178.4	-55.9	0	0	0	0	110.1	P32 G36 Q37	P32-T34 PolarHBondContact O-N 3.16Å; T34-G36 PolarHBondContact O-N 3.49Å; T34-Q37 HydrophobicContact CG2-CG 4.01Å; T34-Q37 WeakPolarHBondContact O-CB 3.42Å; T34-Q37 PolarHBondContact O-N 3.32Å; T34-Q37 VanDerWaalsContact O-N 3.12Å
35	L	95.4	Very high	90.4	Very high	113 Å²	113	73.2 Å²	73.2	59%	0.592	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	140.3	174.8	-64.2	-179.1	0	0	0	110.8	Q37 V103	L35-Q37 PolarHBondContact O-N 3.2Å; L35-V103 HydrophobicContact CD2-CG1 4.23Å
36	G	96.4	Very high	90.4	Very high	40 Å²	40	72.7 Å²	72.7	41%	0.412	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	-11.7	-177.6	0	0	0	0	0	114.8	T34 V103	T34-G36 PolarHBondContact O-N 3.49Å; G36-V103 PolarHBondContact N-O 3.37Å
37	Q	96.3	Very high	90.5	Very high	111 Å²	111	73.1 Å²	73.1	52%	0.519	44%	0.439	S	S	.	.	S	Bend	trans	-95.1	158.2	177.9	-63.7	-57.5	-57.5	0	0	111.5	T34 L35 V103	T34-Q37 HydrophobicContact CG2-CG 4.01Å; T34-Q37 WeakPolarHBondContact O-CB 3.42Å; T34-Q37 PolarHBondContact O-N 3.32Å; T34-Q37 VanDerWaalsContact O-N 3.12Å; L35-Q37 PolarHBondContact O-N 3.2Å; Q37-V103 WeakPolarHBondContact O-CG2 3.26Å; Q37-V103 PolarHBondContact O-N 3.35Å
38	P	95.6	Very high	90.8	Very high	80 Å²	80	72.3 Å²	72.3	52%	0.519	44%	0.436	S	S	.	.			trans	-72.2	147.1	172.5	29	-34.3	0	0	0	111.7	I100 S101	P38-I100 CarbonylContact C-O 3.52Å; P38-I100 WeakPolarHBondContact CA-O 3.5Å; P38-S101 WeakPolarHBondContact CA-O 3.41Å
39	A	94.7	Very high	91.5	Very high	14 Å²	14	67.1 Å²	67.1	12%	0.116	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.4	170.9	0	0	0	0	0	110.4	L29 V33 K99 I100 V103	L29-A39 HydrophobicContact CD2-CB 4.45Å; V33-A39 HydrophobicContact CG1-CB 4.11Å; V33-A39 HydrophobicContact CG2-CB 4.35Å; A39-K99 WeakPolarHBondContact O-CA 3.25Å; A39-I100 PolarHBondContact N-O 3.04Å; A39-I100 PolarHBondContact O-N 3.35Å; A39-V103 HydrophobicContact CB-CG2 3.7Å
40	S	95.1	Very high	92.1	Very high	51 Å²	51	66.2 Å²	66.2	36%	0.357	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	133.5	178.6	-64.2	0	0	0	0	112	L29 L98	L29-S40 WeakPolarHBondContact CD2-O 3.42Å; S40-L98 CarbonylContact C-O 3.57Å; S40-L98 VanDerWaalsContact CA-O 3.23Å; S40-L98 WeakPolarHBondContact CA-O 3.42Å
41	I	94.6	Very high	92.9	Very high	17 Å²	17	63.7 Å²	63.7	9%	0.087	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125	178.1	-56	175.9	0	0	0	107.1	Q26 L29 W60 T97 L98 Y111	Q26-I41 HydrophobicContact CG-CG2 3.96Å; L29-I41 HydrophobicContact CD1-CG1 4.3Å; L29-I41 HydrophobicContact CG-CG1 4.49Å; I41-W60 HydrophobicContact CB-CH2 4.4Å; I41-W60 HydrophobicContact CB-CZ3 4.3Å; I41-W60 HydrophobicContact CG2-CH2 4.08Å; I41-W60 HydrophobicContact CG2-CZ3 3.89Å; I41-T97 CarbonylContact O-C 3.59Å; I41-T97 VanDerWaalsContact O-CA 3.28Å; I41-T97 WeakPolarHBondContact O-CA 3.39Å; I41-L98 HydrophobicContact CB-CB 4.45Å; I41-L98 PolarHBondContact N-O 2.74Å; I41-L98 PolarHBondContact O-N 2.89Å; I41-Y111 HydrophobicContact CD1-CD1 4.22Å; I41-Y111 HydrophobicContact CD1-CD2 3.75Å; I41-Y111 HydrophobicContact CD1-CE2 4.49Å; I41-Y111 HydrophobicContact CD1-CG 3.58Å
42	S	95.4	Very high	93.5	Very high	50 Å²	50	65.4 Å²	65.4	35%	0.35	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.9	-179.8	-60.1	0	0	0	0	111	T27 F96	T27-S42 PolarHBondContact N-O 3.3Å; S42-F96 CarbonylContact C-O 3.5Å; S42-F96 WeakPolarHBondContact CA-O 3.5Å
43	F	93.8	Very high	93.9	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.026	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.1	177.5	175.6	-89.6	0	0	0	109.1	M24 L49 L58 W60 F96 C113	M24-F43 HydrophobicContact CB-CE2 3.6Å; M24-F43 HydrophobicContact CB-CZ 3.57Å; M24-F43 HydrophobicContact CG-CE2 4.07Å; M24-F43 HydrophobicContact CG-CZ 3.52Å; M24-F43 HydrophobicContact SD-CE2 4.07Å; M24-F43 HydrophobicContact SD-CZ 3.51Å; M24-F43 VanDerWaalsContact SD-CZ 3.51Å; F43-L49 HydrophobicContact CE1-CD1 4.21Å; F43-L58 HydrophobicContact CD1-CD1 3.95Å; F43-L58 HydrophobicContact CE1-CD1 3.98Å; F43-W60 HydrophobicContact CB-CH2 3.68Å; F43-W60 HydrophobicContact CB-CZ2 3.96Å; F43-F96 HydrophobicContact CB-CB 4.43Å; F43-F96 HydrophobicContact CD1-CB 4.4Å; F43-F96 HydrophobicContact CD1-CD2 4.01Å; F43-F96 PolarHBondContact N-O 3.07Å; F43-F96 PolarHBondContact O-N 3.24Å; F43-C113 HydrophobicContact CB-CB 4.1Å; F43-C113 HydrophobicContact CD1-CB 4.45Å; F43-C113 VanDerWaalsContact CD1-SG 3.51Å; F43-C113 HydrophobicContact CD2-CB 3.34Å; F43-C113 WeakPolarHBondContact CD2-SG 3.01Å; F43-C113 HydrophobicContact CE2-CB 3.68Å; F43-C113 HydrophobicContact CG-CB 3.73Å; F43-C113 WeakPolarHBondContact CG-SG 3.35Å; F43-C113 HydrophobicContact CZ-CB 4.4Å
44	R	95.5	Very high	94.1	Very high	143 Å²	143	62.1 Å²	62.1	54%	0.54	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.7	177	-179.1	172.5	-74.2	-178.6	-4.3	110.5	T25 T94 D95	T25-R44 PolarHBondContact N-O 2.87Å; T25-R44 PolarHBondContact O-N 2.87Å; R44-T94 CarbonylContact C-O 3.53Å; R44-T94 VanDerWaalsContact CA-O 3.25Å; R44-T94 WeakPolarHBondContact CA-O 3.48Å; R44-D95 IonicContact CZ-OD1 2.79Å; R44-D95 VanDerWaalsContact CZ-OD1 3.22Å; R44-D95 IonicContact NE-OD1 3.93Å; R44-D95 PolarHBondContact NE-OD1 2.81Å; R44-D95 IonicContact NE-OD2 3.63Å; R44-D95 IonicContact NH2-OD1 2.77Å; R44-D95 PolarHBondContact NH2-OD1 2.95Å
45	S	93.5	Very high	94.1	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.028	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	148.3	169.3	-176.4	0	0	0	0	110.6	I22 Q47 T94	I22-S45 WeakPolarHBondContact CG2-OG 3.1Å; S45-Q47 WeakPolarHBondContact CB-O 3.19Å; S45-Q47 PolarHBondContact O-N 2.71Å; S45-Q47 PolarHBondContact OG-N 3.25Å; S45-Q47 PolarHBondContact OG-O 2.91Å; S45-T94 PolarHBondContact N-O 2.81Å; S45-T94 WeakPolarHBondContact O-CB 3.18Å; S45-T94 WeakPolarHBondContact O-CG2 3.24Å
46	S	92.3	Very high	94.1	Very high	66 Å²	66	57 Å²	57	46%	0.462	34%	0.343	S	S	.	.	S	Bend	trans	-69.3	-15.7	174	59.9	0	0	0	0	113.8	V23	V23-S46 PolarHBondContact N-OG 3.42Å; V23-S46 PolarHBondContact O-N 2.78Å
47	Q	91.4	Very high	94.1	Very high	91 Å²	91	58.3 Å²	58.3	43%	0.425	34%	0.337	S	S	.	.	S	Bend	trans	-141	163.6	-178.1	-61.6	-178.8	7.2	0	0	110.7	S45 L49 T94	S45-Q47 WeakPolarHBondContact CB-O 3.19Å; S45-Q47 PolarHBondContact O-N 2.71Å; S45-Q47 PolarHBondContact OG-N 3.25Å; S45-Q47 PolarHBondContact OG-O 2.91Å; Q47-L49 PolarHBondContact O-N 2.81Å; Q47-T94 WeakPolarHBondContact O-CG2 3.35Å
48	S	93	Very high	94.1	Very high	60 Å²	60	53 Å²	53	42%	0.42	31%	0.312	S	S	.	.			trans	-65.1	126	178	-175.2	0	0	0	0	111.1	V50	S48-V50 PolarHBondContact O-N 2.97Å; S48-V50 WeakPolarHBondContact OG-CG2 3.33Å
49	L	93.3	Very high	94.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.296	C	S	.	.			trans	-89.3	34.1	176.1	-60.1	-175.5	0	0	0	112.5	I22 F43 Q47 T56 L58 G93 F96 Q115 T117 Q118	I22-L49 HydrophobicContact CD1-CD2 4.18Å; I22-L49 HydrophobicContact CG2-CD2 4.31Å; F43-L49 HydrophobicContact CE1-CD1 4.21Å; Q47-L49 PolarHBondContact O-N 2.81Å; L49-T56 HydrophobicContact CB-CG2 3.96Å; L49-T56 WeakPolarHBondContact O-CA 3.3Å; L49-T56 VanDerWaalsContact O-CB 3.26Å; L49-T56 WeakPolarHBondContact O-CB 3.37Å; L49-T56 WeakPolarHBondContact O-CG2 3.45Å; L49-T56 PolarHBondContact O-OG1 2.93Å; L49-L58 HydrophobicContact CD1-CD1 3.97Å; L49-G93 PolarHBondContact N-O 3.45Å; L49-F96 HydrophobicContact CB-CE2 4.24Å; L49-F96 HydrophobicContact CB-CZ 4.09Å; L49-F96 HydrophobicContact CD1-CD2 4.45Å; L49-F96 HydrophobicContact CD1-CE2 3.74Å; L49-F96 HydrophobicContact CD1-CZ 4.26Å; L49-F96 HydrophobicContact CG-CE2 4.2Å; L49-Q115 HydrophobicContact CD1-CB 3.7Å; L49-Q115 HydrophobicContact CD1-CG 3.91Å; L49-Q115 HydrophobicContact CD2-CB 4.38Å; L49-Q115 HydrophobicContact CD2-CG 3.87Å; L49-T117 WeakPolarHBondContact O-CB 3.44Å; L49-T117 WeakPolarHBondContact O-CG2 3.34Å; L49-T117 PolarHBondContact O-OG1 3.46Å; L49-Q118 HydrophobicContact CD2-CG 4.42Å
50	V	94.3	Very high	94.4	Very high	61 Å²	61	49.9 Å²	49.9	37%	0.37	29%	0.291	S	S	.	.			trans	-93.3	123.4	173	-177.5	0	0	0	0	108.9	S48 T117	S48-V50 PolarHBondContact O-N 2.97Å; S48-V50 WeakPolarHBondContact OG-CG2 3.33Å; V50-T117 VanDerWaalsContact C-CG2 3.45Å
51	H	92.7	Very high	94.5	Very high	69 Å²	69	49.3 Å²	49.3	32%	0.319	28%	0.283	S	S	.	.			trans	-81	166.1	177.4	-179	-100.2	0	0	0	109.6	D53 G54 N55 Y57 T117	H51-D53 WeakPolarHBondContact CB-OD1 3.31Å; H51-D53 IonicContact CG-OD1 3.46Å; H51-D53 PolarHBondContact ND1-N 3.44Å; H51-D53 IonicContact ND1-OD1 2.83Å; H51-D53 PolarHBondContact ND1-OD1 3.08Å; H51-D53 IonicContact ND1-OD2 3.72Å; H51-D53 PolarHBondContact O-N 2.95Å; H51-D53 VanDerWaalsContact O-N 3.14Å; H51-G54 WeakPolarHBondContact O-CA 3.31Å; H51-G54 PolarHBondContact O-N 2.97Å; H51-N55 VanDerWaalsContact CB-O 3.26Å; H51-N55 WeakPolarHBondContact CB-O 3.41Å; H51-N55 PolarHBondContact N-O 3.13Å; H51-Y57 HydrophobicContact CB-CD2 4.13Å; H51-Y57 HydrophobicContact CB-CE2 3.89Å; H51-Y57 AromaticContact CG-CE2 3.99Å; H51-T117 HydrophobicContact CB-CG2 3.57Å
52	S	91.6	Very high	94.6	Very high	118 Å²	118	48.8 Å²	48.8	83%	0.825	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.8	-177.7	58	0	0	0	0	114.1	G54	S52-G54 PolarHBondContact O-N 2.84Å
53	D	94.1	Very high	94.6	Very high	73 Å²	73	49.3 Å²	49.3	39%	0.39	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	3.5	173.5	71.3	-15.3	0	0	0	113.4	H51 N55 Y57	H51-D53 WeakPolarHBondContact CB-OD1 3.31Å; H51-D53 IonicContact CG-OD1 3.46Å; H51-D53 PolarHBondContact ND1-N 3.44Å; H51-D53 IonicContact ND1-OD1 2.83Å; H51-D53 PolarHBondContact ND1-OD1 3.08Å; H51-D53 IonicContact ND1-OD2 3.72Å; H51-D53 PolarHBondContact O-N 2.95Å; H51-D53 VanDerWaalsContact O-N 3.14Å; D53-N55 VanDerWaalsContact C-N 3.29Å; D53-N55 PolarHBondContact O-N 3.16Å; D53-N55 WeakPolarHBondContact OD1-CB 3.04Å; D53-N55 PolarHBondContact OD1-N 3.24Å; D53-N55 PolarHBondContact OD2-ND2 3.05Å; D53-Y57 PolarHBondContact OD2-OH 2.94Å
54	G	93.4	Very high	94.7	Very high	54 Å²	54	53.3 Å²	53.3	56%	0.557	29%	0.292	S	S	*	.	S	Bend	trans	80.4	1.2	-177.5	0	0	0	0	0	114.7	H51 S52	H51-G54 WeakPolarHBondContact O-CA 3.31Å; H51-G54 PolarHBondContact O-N 2.97Å; S52-G54 PolarHBondContact O-N 2.84Å
55	N	94.4	Very high	94.7	Very high	70 Å²	70	51.6 Å²	51.6	37%	0.374	30%	0.3	S	S	.	.			trans	-94.1	158.4	-179.9	-66.9	-60.4	0	0	0	112.5	H51 D53 Y57	H51-N55 VanDerWaalsContact CB-O 3.26Å; H51-N55 WeakPolarHBondContact CB-O 3.41Å; H51-N55 PolarHBondContact N-O 3.13Å; D53-N55 VanDerWaalsContact C-N 3.29Å; D53-N55 PolarHBondContact O-N 3.16Å; D53-N55 WeakPolarHBondContact OD1-CB 3.04Å; D53-N55 PolarHBondContact OD1-N 3.24Å; D53-N55 PolarHBondContact OD2-ND2 3.05Å; N55-Y57 HydrophobicContact CB-CE2 3.85Å
56	T	95.9	Very high	94.8	Very high	19 Å²	19	55.6 Å²	55.6	12%	0.117	34%	0.341	C	S	.	.			trans	-117	123.3	169.6	-65.7	0	0	0	0	109.9	L49 L58 K75 V76 F96	L49-T56 HydrophobicContact CB-CG2 3.96Å; L49-T56 WeakPolarHBondContact O-CA 3.3Å; L49-T56 VanDerWaalsContact O-CB 3.26Å; L49-T56 WeakPolarHBondContact O-CB 3.37Å; L49-T56 WeakPolarHBondContact O-CG2 3.45Å; L49-T56 PolarHBondContact O-OG1 2.93Å; T56-L58 HydrophobicContact CG2-CB 3.85Å; T56-L58 PolarHBondContact O-N 2.89Å; T56-K75 WeakPolarHBondContact O-CA 3.16Å; T56-V76 HydrophobicContact CG2-CG2 3.46Å; T56-V76 VanDerWaalsContact CG2-CG2 3.46Å; T56-F96 HydrophobicContact CG2-CE1 3.83Å; T56-F96 HydrophobicContact CG2-CZ 3.83Å
57	Y	95.6	Very high	95	Very high	68 Å²	68	57.9 Å²	57.9	27%	0.267	35%	0.345	S	S	.	.			trans	-99	56	-178.3	-61.7	-83.9	0	0	0	111	H51 D53 N55 K75 Q115 A116 T117	H51-Y57 HydrophobicContact CB-CD2 4.13Å; H51-Y57 HydrophobicContact CB-CE2 3.89Å; H51-Y57 AromaticContact CG-CE2 3.99Å; D53-Y57 PolarHBondContact OD2-OH 2.94Å; N55-Y57 HydrophobicContact CB-CE2 3.85Å; Y57-K75 HydrophobicContact CD1-CG 4.4Å; Y57-Q115 WeakPolarHBondContact O-CA 3.23Å; Y57-A116 PolarHBondContact O-N 3.13Å; Y57-T117 PolarHBondContact N-OG1 3.4Å
58	L	96.4	Very high	95.2	Very high	0 Å²	0	58 Å²	58	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.6	175	-176.9	145.7	0	0	0	110.7	F43 L49 T56 Y74 K75 V76 F96 C113 T114	F43-L58 HydrophobicContact CD1-CD1 3.95Å; F43-L58 HydrophobicContact CE1-CD1 3.98Å; L49-L58 HydrophobicContact CD1-CD1 3.97Å; T56-L58 HydrophobicContact CG2-CB 3.85Å; T56-L58 PolarHBondContact O-N 2.89Å; L58-Y74 CarbonylContact O-C 3.58Å; L58-K75 PolarHBondContact O-N 3.01Å; L58-V76 HydrophobicContact CB-CG2 4.24Å; L58-V76 PolarHBondContact O-N 3.31Å; L58-F96 HydrophobicContact CD1-CB 3.92Å; L58-F96 HydrophobicContact CD1-CD1 3.78Å; L58-F96 HydrophobicContact CD1-CD2 3.47Å; L58-F96 VanDerWaalsContact CD1-CD2 3.47Å; L58-F96 HydrophobicContact CD1-CE1 4.16Å; L58-F96 HydrophobicContact CD1-CE2 3.87Å; L58-F96 HydrophobicContact CD1-CG 3.41Å; L58-F96 VanDerWaalsContact CD1-CG 3.41Å; L58-F96 HydrophobicContact CD1-CZ 4.19Å; L58-F96 HydrophobicContact CD2-CB 4.42Å; L58-F96 HydrophobicContact CD2-CD1 4.41Å; L58-F96 HydrophobicContact CD2-CG 4.44Å; L58-C113 VanDerWaalsContact CD1-SG 3.52Å; L58-T114 CarbonylContact C-O 3.13Å; L58-T114 WeakPolarHBondContact CA-O 3.47Å
59	S	97.5	Very high	95.4	Very high	27 Å²	27	58.3 Å²	58.3	19%	0.189	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	144.6	-179.5	-58.6	0	0	0	0	111.9	I73 C113 T114	S59-I73 CarbonylContact C-O 3.58Å; S59-I73 WeakPolarHBondContact CA-O 3.44Å; S59-C113 WeakPolarHBondContact O-CA 3.43Å; S59-T114 PolarHBondContact N-O 3.27Å; S59-T114 PolarHBondContact O-N 3.1Å
60	W	97.9	Very high	95.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	129.6	171.9	-68.5	96	0	0	0	109.8	I41 F43 L72 I73 F96 L98 Y112 C113	I41-W60 HydrophobicContact CB-CH2 4.4Å; I41-W60 HydrophobicContact CB-CZ3 4.3Å; I41-W60 HydrophobicContact CG2-CH2 4.08Å; I41-W60 HydrophobicContact CG2-CZ3 3.89Å; F43-W60 HydrophobicContact CB-CH2 3.68Å; F43-W60 HydrophobicContact CB-CZ2 3.96Å; W60-L72 WeakPolarHBondContact O-CB 3.34Å; W60-L72 PolarHBondContact O-N 2.91Å; W60-I73 HydrophobicContact CB-CB 4.11Å; W60-I73 HydrophobicContact CB-CG1 4.45Å; W60-I73 HydrophobicContact CG-CB 4.42Å; W60-I73 PolarHBondContact N-O 2.98Å; W60-I73 PolarHBondContact O-N 2.77Å; W60-F96 HydrophobicContact CZ2-CB 4.48Å; W60-L98 HydrophobicContact CB-CD1 4.23Å; W60-L98 HydrophobicContact CB-CD2 4.3Å; W60-L98 HydrophobicContact CD2-CB 3.59Å; W60-L98 HydrophobicContact CD2-CD1 4.42Å; W60-L98 HydrophobicContact CD2-CD2 4.13Å; W60-L98 HydrophobicContact CD2-CG 4.27Å; W60-L98 HydrophobicContact CE3-CB 3.78Å; W60-L98 HydrophobicContact CE3-CD2 3.92Å; W60-L98 HydrophobicContact CE3-CG 4.42Å; W60-L98 HydrophobicContact CG-CB 4.11Å; W60-L98 HydrophobicContact CG-CD1 4.05Å; W60-L98 HydrophobicContact CG-CD2 4.31Å; W60-L98 HydrophobicContact CG-CG 4.39Å; W60-L98 HydrophobicContact CH2-CB 3.99Å; W60-L98 HydrophobicContact CZ2-CB 3.84Å; W60-L98 HydrophobicContact CZ3-CB 3.96Å; W60-Y112 CarbonylContact C-O 3.54Å; W60-Y112 WeakPolarHBondContact CA-O 3.42Å; W60-C113 HydrophobicContact CD2-CB 4.25Å; W60-C113 HydrophobicContact CE3-CB 3.82Å; W60-C113 HydrophobicContact CH2-CB 3.94Å; W60-C113 HydrophobicContact CZ2-CB 4.31Å; W60-C113 HydrophobicContact CZ3-CB 3.67Å
61	L	97.2	Very high	95.8	Very high	39 Å²	39	62.8 Å²	62.8	20%	0.204	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.3	174.8	-56.3	95.7	0	0	0	110.2	P69 R70 Y111 Y112 T114	L61-P69 HydrophobicContact CB-CB 4.47Å; L61-P69 HydrophobicContact CD2-CB 4.11Å; L61-R70 CarbonylContact C-O 3.48Å; L61-R70 VanDerWaalsContact CA-O 3.24Å; L61-R70 WeakPolarHBondContact CA-O 3.18Å; L61-Y111 CarbonylContact O-C 3.56Å; L61-Y111 VanDerWaalsContact O-CA 3.32Å; L61-Y111 WeakPolarHBondContact O-CA 3.08Å; L61-Y112 PolarHBondContact N-O 3.02Å; L61-Y112 PolarHBondContact O-N 2.8Å; L61-T114 HydrophobicContact CD1-CG2 3.72Å
62	Q	96.8	Very high	96.1	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.028	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.6	170.4	-178.1	-168	38.3	0	0	109.4	P69 R70 L72 D107 V110 Y111	Q62-P69 WeakPolarHBondContact O-CA 3.29Å; Q62-R70 PolarHBondContact N-O 3.13Å; Q62-R70 PolarHBondContact O-N 2.81Å; Q62-L72 HydrophobicContact CB-CD1 3.64Å; Q62-L72 HydrophobicContact CB-CD2 4.2Å; Q62-L72 HydrophobicContact CB-CG 3.89Å; Q62-D107 PolarHBondContact NE2-O 2.87Å; Q62-D107 VanDerWaalsContact NE2-O 3.08Å; Q62-V110 CarbonylContact C-O 3.58Å; Q62-V110 WeakPolarHBondContact CA-O 3.37Å; Q62-Y111 HydrophobicContact CB-CD1 4.1Å; Q62-Y111 HydrophobicContact CB-CE1 3.91Å; Q62-Y111 HydrophobicContact CG-CD1 4.31Å; Q62-Y111 HydrophobicContact CG-CE1 3.86Å; Q62-Y111 HydrophobicContact CG-CE2 4.3Å; Q62-Y111 PolarHBondContact NE2-OH 3.29Å
63	Q	96.7	Very high	96.4	Very high	62 Å²	62	54 Å²	54	29%	0.29	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	113.5	171	-170.4	175.2	17.7	0	0	109.8	Q67 P69 G109 V110 Y112	Q63-Q67 VanDerWaalsContact CG-O 3.23Å; Q63-Q67 WeakPolarHBondContact CG-O 3.46Å; Q63-Q67 PolarHBondContact NE2-O 3.26Å; Q63-Q67 VanDerWaalsContact NE2-O 3.13Å; Q63-P69 HydrophobicContact CB-CB 4.48Å; Q63-P69 HydrophobicContact CB-CG 4.35Å; Q63-P69 HydrophobicContact CG-CG 4.25Å; Q63-G109 CarbonylContact O-C 3.54Å; Q63-G109 WeakPolarHBondContact O-CA 3.45Å; Q63-V110 PolarHBondContact N-O 2.85Å; Q63-V110 PolarHBondContact O-N 3.34Å; Q63-Y112 HydrophobicContact CB-CE2 3.81Å; Q63-Y112 PolarHBondContact OE1-OH 3.16Å
64	R	95.4	Very high	96.6	Very high	89 Å²	89	54.9 Å²	54.9	34%	0.336	31%	0.313	S	S	.	.			trans	-81.4	154.7	172.5	-60.7	-177.1	-175	-170.1	-4.4	109.8	G66 Q67 E106	R64-G66 PolarHBondContact O-N 2.79Å; R64-Q67 HydrophobicContact CB-CB 4.13Å; R64-Q67 HydrophobicContact CB-CG 4.14Å; R64-Q67 PolarHBondContact O-N 2.8Å; R64-E106 PolarHBondContact NE-O 3.36Å; R64-E106 PolarHBondContact NH2-O 3.49Å
65	P	94.7	Very high	96.8	Very high	108 Å²	108	56.7 Å²	56.7	70%	0.701	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	128.7	176.1	-26.7	35.2	0	0	0	112	Q67	P65-Q67 PolarHBondContact O-N 2.87Å
66	G	96	Very high	96.9	Very high	87 Å²	87	54.2 Å²	54.2	90%	0.897	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	6.2	179.7	0	0	0	0	0	115.7	R64	R64-G66 PolarHBondContact O-N 2.79Å
67	Q	96.4	Very high	97	Very high	115 Å²	115	56.3 Å²	56.3	54%	0.537	31%	0.308	S	S	.	.	S	Bend	trans	-113.5	154.5	179.1	-64.7	-70.3	-25	0	0	110.8	Q63 R64 P65	Q63-Q67 VanDerWaalsContact CG-O 3.23Å; Q63-Q67 WeakPolarHBondContact CG-O 3.46Å; Q63-Q67 PolarHBondContact NE2-O 3.26Å; Q63-Q67 VanDerWaalsContact NE2-O 3.13Å; R64-Q67 HydrophobicContact CB-CB 4.13Å; R64-Q67 HydrophobicContact CB-CG 4.14Å; R64-Q67 PolarHBondContact O-N 2.8Å; P65-Q67 PolarHBondContact O-N 2.87Å
68	P	96.8	Very high	97.2	Very high	92 Å²	92	56.3 Å²	56.3	60%	0.597	31%	0.313	S	S	*	.			trans	-69.1	158.5	169.9	30	-34.6	0	0	0	111.3	R70	P68-R70 PolarHBondContact O-N 3.01Å
69	P	97	Very high	97.3	Very high	68 Å²	68	62 Å²	62	44%	0.442	33%	0.334	S	S	.	.			trans	-59	134.1	171.3	-22.8	33.7	0	0	0	112	L61 Q62 Q63	L61-P69 HydrophobicContact CB-CB 4.47Å; L61-P69 HydrophobicContact CD2-CB 4.11Å; Q62-P69 WeakPolarHBondContact O-CA 3.29Å; Q63-P69 HydrophobicContact CB-CB 4.48Å; Q63-P69 HydrophobicContact CB-CG 4.35Å; Q63-P69 HydrophobicContact CG-CG 4.25Å
70	R	97.4	Very high	97.3	Very high	106 Å²	106	65.3 Å²	65.3	40%	0.4	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.1	175.6	179.9	-179.9	175.6	-166.5	-2.7	110.2	L61 Q62 P68 L72 S81 G82	L61-R70 CarbonylContact C-O 3.48Å; L61-R70 VanDerWaalsContact CA-O 3.24Å; L61-R70 WeakPolarHBondContact CA-O 3.18Å; Q62-R70 PolarHBondContact N-O 3.13Å; Q62-R70 PolarHBondContact O-N 2.81Å; P68-R70 PolarHBondContact O-N 3.01Å; R70-L72 PolarHBondContact O-N 2.79Å; R70-S81 PolarHBondContact NH2-O 3.36Å; R70-G82 PolarHBondContact NH2-O 3.32Å
71	L	98.2	Very high	97.3	Very high	49 Å²	49	70 Å²	70	26%	0.257	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	127.6	172.9	-176.6	62.4	0	0	0	110.9	I73 F80	L71-I73 WeakPolarHBondContact CD1-O 3.34Å; L71-F80 HydrophobicContact CB-CB 4.48Å; L71-F80 HydrophobicContact CB-CG 4.29Å; L71-F80 HydrophobicContact CD2-CB 4.32Å; L71-F80 HydrophobicContact CD2-CD2 3.58Å; L71-F80 HydrophobicContact CD2-CE2 4.06Å; L71-F80 HydrophobicContact CD2-CG 4.01Å; L71-F80 HydrophobicContact CG-CB 4.11Å; L71-F80 HydrophobicContact CG-CD2 4.25Å; L71-F80 HydrophobicContact CG-CG 4.17Å
72	L	98.2	Very high	97.3	Very high	3 Å²	3	71.3 Å²	71.3	2%	0.016	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-57.8	175.6	-66.4	-175	0	0	0	111.8	W60 Q62 R70 F80 V83 F87 L98 Y111	W60-L72 WeakPolarHBondContact O-CB 3.34Å; W60-L72 PolarHBondContact O-N 2.91Å; Q62-L72 HydrophobicContact CB-CD1 3.64Å; Q62-L72 HydrophobicContact CB-CD2 4.2Å; Q62-L72 HydrophobicContact CB-CG 3.89Å; R70-L72 PolarHBondContact O-N 2.79Å; L72-F80 PolarHBondContact O-N 2.82Å; L72-V83 HydrophobicContact CB-CG1 4.47Å; L72-V83 HydrophobicContact CD2-CG1 4.11Å; L72-V83 HydrophobicContact CD2-CG2 4.06Å; L72-F87 HydrophobicContact CD1-CD1 3.94Å; L72-F87 HydrophobicContact CD1-CE1 3.84Å; L72-L98 HydrophobicContact CD1-CD2 4.34Å; L72-Y111 HydrophobicContact CD1-CD1 3.95Å; L72-Y111 HydrophobicContact CD1-CE1 3.54Å
73	I	98.7	Very high	97.4	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.2	-176.4	-53.4	-65.3	0	0	0	108.1	S59 W60 L71 V76 N78 R79 F87 L98	S59-I73 CarbonylContact C-O 3.58Å; S59-I73 WeakPolarHBondContact CA-O 3.44Å; W60-I73 HydrophobicContact CB-CB 4.11Å; W60-I73 HydrophobicContact CB-CG1 4.45Å; W60-I73 HydrophobicContact CG-CB 4.42Å; W60-I73 PolarHBondContact N-O 2.98Å; W60-I73 PolarHBondContact O-N 2.77Å; L71-I73 WeakPolarHBondContact CD1-O 3.34Å; I73-V76 VanDerWaalsContact CG2-O 3.27Å; I73-V76 WeakPolarHBondContact CG2-O 3.28Å; I73-N78 CarbonylContact C-O 3.59Å; I73-N78 VanDerWaalsContact CA-O 3.24Å; I73-N78 WeakPolarHBondContact CA-O 3.32Å; I73-R79 HydrophobicContact CD1-CB 4.26Å; I73-R79 HydrophobicContact CD1-CG 3.42Å; I73-R79 VanDerWaalsContact CD1-CG 3.42Å; I73-F87 HydrophobicContact CD1-CB 4.45Å; I73-L98 HydrophobicContact CG1-CD1 3.82Å
74	Y	98	Very high	97.4	Very high	91 Å²	91	70.6 Å²	70.6	36%	0.357	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	161.3	171.6	70.3	-82	0	0	0	109.9	L58 V76 S77 N78	L58-Y74 CarbonylContact O-C 3.58Å; Y74-V76 PolarHBondContact O-N 3.48Å; Y74-S77 PolarHBondContact O-N 3.4Å; Y74-N78 HydrophobicContact CD1-CB 3.83Å; Y74-N78 WeakPolarHBondContact CD1-O 3.44Å; Y74-N78 HydrophobicContact CD2-CB 4.09Å; Y74-N78 HydrophobicContact CE1-CB 3.45Å; Y74-N78 VanDerWaalsContact CE1-CB 3.45Å; Y74-N78 HydrophobicContact CE2-CB 3.73Å; Y74-N78 WeakPolarHBondContact CE2-ND2 3.5Å; Y74-N78 HydrophobicContact CG-CB 4.13Å; Y74-N78 PolarHBondContact N-O 2.79Å; Y74-N78 VanDerWaalsContact O-CB 3.32Å; Y74-N78 WeakPolarHBondContact O-CB 3.41Å; Y74-N78 PolarHBondContact O-N 3.47Å
75	K	97.1	Very high	97.5	Very high	92 Å²	92	72.8 Å²	72.8	40%	0.4	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	49.8	-175.9	-71.9	-176	175.7	-167.1	0	112.1	T56 Y57 L58 S77	T56-K75 WeakPolarHBondContact O-CA 3.16Å; Y57-K75 HydrophobicContact CD1-CG 4.4Å; L58-K75 PolarHBondContact O-N 3.01Å; K75-S77 PolarHBondContact O-N 2.94Å
76	V	97.8	Very high	97.7	Very high	17 Å²	17	68.6 Å²	68.6	10%	0.103	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	-44.8	179.2	-176.8	0	0	0	0	115.6	T56 L58 I73 Y74 G89 G91 F96	T56-V76 HydrophobicContact CG2-CG2 3.46Å; T56-V76 VanDerWaalsContact CG2-CG2 3.46Å; L58-V76 HydrophobicContact CB-CG2 4.24Å; L58-V76 PolarHBondContact O-N 3.31Å; I73-V76 VanDerWaalsContact CG2-O 3.27Å; I73-V76 WeakPolarHBondContact CG2-O 3.28Å; Y74-V76 PolarHBondContact O-N 3.48Å; V76-G89 CarbonylContact O-C 3.53Å; V76-G89 WeakPolarHBondContact O-CA 3.27Å; V76-G91 WeakPolarHBondContact CG1-O 3.27Å; V76-F96 HydrophobicContact CG1-CD1 4.05Å; V76-F96 HydrophobicContact CG1-CE1 4.29Å; V76-F96 HydrophobicContact CG2-CD1 4.18Å; V76-F96 HydrophobicContact CG2-CE1 3.8Å
77	S	98.1	Very high	97.8	Very high	64 Å²	64	64.5 Å²	64.5	45%	0.448	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-10.4	-167.5	62.5	0	0	0	0	115.5	Y74 K75 R79 G89	Y74-S77 PolarHBondContact O-N 3.4Å; K75-S77 PolarHBondContact O-N 2.94Å; S77-R79 PolarHBondContact O-N 3.45Å; S77-G89 WeakPolarHBondContact CA-O 3.27Å; S77-G89 VanDerWaalsContact CB-O 3.31Å; S77-G89 WeakPolarHBondContact CB-O 3.48Å
78	N	98.4	Very high	97.9	Very high	68 Å²	68	61 Å²	61	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.2	-177.8	-63.1	-18	0	0	0	110.9	I73 Y74	I73-N78 CarbonylContact C-O 3.59Å; I73-N78 VanDerWaalsContact CA-O 3.24Å; I73-N78 WeakPolarHBondContact CA-O 3.32Å; Y74-N78 HydrophobicContact CD1-CB 3.83Å; Y74-N78 WeakPolarHBondContact CD1-O 3.44Å; Y74-N78 HydrophobicContact CD2-CB 4.09Å; Y74-N78 HydrophobicContact CE1-CB 3.45Å; Y74-N78 VanDerWaalsContact CE1-CB 3.45Å; Y74-N78 HydrophobicContact CE2-CB 3.73Å; Y74-N78 WeakPolarHBondContact CE2-ND2 3.5Å; Y74-N78 HydrophobicContact CG-CB 4.13Å; Y74-N78 PolarHBondContact N-O 2.79Å; Y74-N78 VanDerWaalsContact O-CB 3.32Å; Y74-N78 WeakPolarHBondContact O-CB 3.41Å; Y74-N78 PolarHBondContact O-N 3.47Å
79	R	98.3	Very high	98	Very high	118 Å²	118	57 Å²	57	45%	0.445	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.5	173	-77.7	178	-69.9	-88	-3.1	111.4	I73 S77 V83 F87	I73-R79 HydrophobicContact CD1-CB 4.26Å; I73-R79 HydrophobicContact CD1-CG 3.42Å; I73-R79 VanDerWaalsContact CD1-CG 3.42Å; S77-R79 PolarHBondContact O-N 3.45Å; R79-V83 HydrophobicContact CB-CB 4.37Å; R79-V83 HydrophobicContact CG-CG1 4.24Å; R79-F87 WeakPolarHBondContact CD-O 3.23Å; R79-F87 PolarHBondContact NH1-O 2.87Å
80	F	98.3	Very high	98	Very high	97 Å²	97	56.7 Å²	56.7	43%	0.425	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-70.6	157.3	168.6	-165.5	-108.8	0	0	0	110.9	L71 L72 G82 V83	L71-F80 HydrophobicContact CB-CB 4.48Å; L71-F80 HydrophobicContact CB-CG 4.29Å; L71-F80 HydrophobicContact CD2-CB 4.32Å; L71-F80 HydrophobicContact CD2-CD2 3.58Å; L71-F80 HydrophobicContact CD2-CE2 4.06Å; L71-F80 HydrophobicContact CD2-CG 4.01Å; L71-F80 HydrophobicContact CG-CB 4.11Å; L71-F80 HydrophobicContact CG-CD2 4.25Å; L71-F80 HydrophobicContact CG-CG 4.17Å; L72-F80 PolarHBondContact O-N 2.82Å; F80-G82 PolarHBondContact O-N 3.13Å; F80-V83 HydrophobicContact CB-CG2 3.97Å; F80-V83 VanDerWaalsContact O-CB 3.27Å; F80-V83 WeakPolarHBondContact O-CB 3.48Å; F80-V83 VanDerWaalsContact O-CG2 3.27Å; F80-V83 WeakPolarHBondContact O-CG2 3.31Å; F80-V83 PolarHBondContact O-N 2.8Å; F80-V83 VanDerWaalsContact O-N 3.13Å
81	S	98	Very high	98	Very high	99 Å²	99	53.5 Å²	53.5	69%	0.692	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	134.8	-177.9	-61.2	0	0	0	0	112.3	R70 V83	R70-S81 PolarHBondContact NH2-O 3.36Å; S81-V83 PolarHBondContact O-N 2.82Å
82	G	97.4	Very high	97.9	Very high	67 Å²	67	54.6 Å²	54.6	69%	0.691	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	13.5	-179.2	0	0	0	0	0	114.7	R70 F80	R70-G82 PolarHBondContact NH2-O 3.32Å; F80-G82 PolarHBondContact O-N 3.13Å
83	V	97.9	Very high	97.7	Very high	14 Å²	14	55.3 Å²	55.3	9%	0.085	34%	0.336	C	S	.	.			trans	-85.8	126	169.8	175.6	0	0	0	0	108.5	L72 R79 F80 S81 F87	L72-V83 HydrophobicContact CB-CG1 4.47Å; L72-V83 HydrophobicContact CD2-CG1 4.11Å; L72-V83 HydrophobicContact CD2-CG2 4.06Å; R79-V83 HydrophobicContact CB-CB 4.37Å; R79-V83 HydrophobicContact CG-CG1 4.24Å; F80-V83 HydrophobicContact CB-CG2 3.97Å; F80-V83 VanDerWaalsContact O-CB 3.27Å; F80-V83 WeakPolarHBondContact O-CB 3.48Å; F80-V83 VanDerWaalsContact O-CG2 3.27Å; F80-V83 WeakPolarHBondContact O-CG2 3.31Å; F80-V83 PolarHBondContact O-N 2.8Å; F80-V83 VanDerWaalsContact O-N 3.13Å; S81-V83 PolarHBondContact O-N 2.82Å; V83-F87 HydrophobicContact CG1-CB 3.89Å; V83-F87 HydrophobicContact CG1-CD2 3.91Å; V83-F87 HydrophobicContact CG1-CG 4.07Å
84	P	98	Very high	97.5	Very high	39 Å²	39	57.7 Å²	57.7	25%	0.253	35%	0.35	S	S	.	.			trans	-56	147.2	179.5	-29.6	38.2	0	0	0	113.5	R86 F87	P84-R86 HydrophobicContact CB-CG 3.66Å; P84-R86 PolarHBondContact O-N 2.82Å; P84-F87 HydrophobicContact CB-CD2 4.13Å; P84-F87 HydrophobicContact CB-CE2 4.39Å; P84-F87 HydrophobicContact CG-CD2 4.44Å; P84-F87 HydrophobicContact CG-CE2 4.35Å; P84-F87 PolarHBondContact O-N 2.96Å; P84-F87 VanDerWaalsContact O-N 3.1Å
85	D	97.7	Very high	97.5	Very high	134 Å²	134	56.4 Å²	56.4	72%	0.717	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.2	179.2	64.8	-16.9	0	0	0	113.6	F87	D85-F87 PolarHBondContact O-N 3.33Å; D85-F87 VanDerWaalsContact O-N 3.13Å
86	R	97.9	Very high	97.5	Very high	20 Å²	20	52.1 Å²	52.1	8%	0.075	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.4	172.1	58.3	167	-172.1	-85	0.2	113.7	P84 I100 S101 R102 E104 E106 D107	P84-R86 HydrophobicContact CB-CG 3.66Å; P84-R86 PolarHBondContact O-N 2.82Å; R86-I100 CarbonylContact O-C 3.49Å; R86-I100 WeakPolarHBondContact O-CA 3.48Å; R86-S101 VanDerWaalsContact CA-OG 3.3Å; R86-S101 WeakPolarHBondContact CA-OG 3.4Å; R86-S101 WeakPolarHBondContact CB-OG 3.44Å; R86-S101 PolarHBondContact O-N 3.45Å; R86-S101 PolarHBondContact O-OG 3.02Å; R86-R102 WeakPolarHBondContact CD-O 3.21Å; R86-E104 IonicContact CZ-OE1 2.87Å; R86-E104 IonicContact CZ-OE2 3.7Å; R86-E104 IonicContact NE-OE2 3.22Å; R86-E104 VanDerWaalsContact NH1-CD 3.25Å; R86-E104 IonicContact NH1-OE1 2.71Å; R86-E104 PolarHBondContact NH1-OE1 3.26Å; R86-E104 IonicContact NH1-OE2 3.42Å; R86-E104 PolarHBondContact NH1-OE2 2.97Å; R86-E104 IonicContact NH2-OE2 3.25Å; R86-E104 PolarHBondContact NH2-OE2 2.91Å; R86-E106 IonicContact CZ-OE1 3.38Å; R86-E106 IonicContact NH1-OE1 3.95Å; R86-E106 IonicContact NH2-OE1 2.78Å; R86-E106 PolarHBondContact NH2-OE1 3.09Å; R86-D107 IonicContact CZ-OD1 3.97Å; R86-D107 IonicContact CZ-OD2 2.74Å; R86-D107 IonicContact NE-OD1 3.59Å; R86-D107 PolarHBondContact NE-OD1 3.48Å; R86-D107 IonicContact NE-OD2 3.97Å; R86-D107 PolarHBondContact NE-OD2 2.88Å; R86-D107 IonicContact NH2-OD1 3.42Å; R86-D107 PolarHBondContact NH2-OD1 3.26Å; R86-D107 IonicContact NH2-OD2 3.16Å
87	F	98.4	Very high	97.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.009	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.3	173.5	-67.8	-88	0	0	0	111.7	L72 I73 R79 V83 P84 D85 L98 K99 I100 D107 Y111	L72-F87 HydrophobicContact CD1-CD1 3.94Å; L72-F87 HydrophobicContact CD1-CE1 3.84Å; I73-F87 HydrophobicContact CD1-CB 4.45Å; R79-F87 WeakPolarHBondContact CD-O 3.23Å; R79-F87 PolarHBondContact NH1-O 2.87Å; V83-F87 HydrophobicContact CG1-CB 3.89Å; V83-F87 HydrophobicContact CG1-CD2 3.91Å; V83-F87 HydrophobicContact CG1-CG 4.07Å; P84-F87 HydrophobicContact CB-CD2 4.13Å; P84-F87 HydrophobicContact CB-CE2 4.39Å; P84-F87 HydrophobicContact CG-CD2 4.44Å; P84-F87 HydrophobicContact CG-CE2 4.35Å; P84-F87 PolarHBondContact O-N 2.96Å; P84-F87 VanDerWaalsContact O-N 3.1Å; D85-F87 PolarHBondContact O-N 3.33Å; D85-F87 VanDerWaalsContact O-N 3.13Å; F87-L98 HydrophobicContact CD1-CD1 4.42Å; F87-K99 WeakPolarHBondContact CA-O 3.17Å; F87-I100 HydrophobicContact CD1-CD1 4.34Å; F87-I100 HydrophobicContact CD1-CG1 3.84Å; F87-I100 HydrophobicContact CE1-CD1 3.62Å; F87-I100 HydrophobicContact CE1-CG1 3.61Å; F87-I100 HydrophobicContact CE1-CG2 4.39Å; F87-I100 HydrophobicContact CZ-CD1 4.27Å; F87-I100 HydrophobicContact CZ-CG1 4.46Å; F87-I100 HydrophobicContact CZ-CG2 4.5Å; F87-D107 VanDerWaalsContact CZ-OD1 3.29Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.24Å; F87-Y111 HydrophobicContact CE1-CE1 4Å
88	S	98.3	Very high	97.4	Very high	41 Å²	41	50.2 Å²	50.2	29%	0.287	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	136.8	172.9	58.6	0	0	0	0	110.5	K99	S88-K99 PolarHBondContact N-O 2.84Å; S88-K99 PolarHBondContact O-N 2.83Å
89	G	98.1	Very high	97.3	Very high	9 Å²	9	51.6 Å²	51.6	9%	0.093	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	145.9	167.8	0	0	0	0	0	111.4	V76 S77 T97	V76-G89 CarbonylContact O-C 3.53Å; V76-G89 WeakPolarHBondContact O-CA 3.27Å; S77-G89 WeakPolarHBondContact CA-O 3.27Å; S77-G89 VanDerWaalsContact CB-O 3.31Å; S77-G89 WeakPolarHBondContact CB-O 3.48Å; G89-T97 CarbonylContact C-O 3.5Å; G89-T97 WeakPolarHBondContact CA-O 3.43Å
90	S	97.7	Very high	97.3	Very high	60 Å²	60	46.4 Å²	46.4	42%	0.42	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.6	177.5	58.1	0	0	0	0	110.5	F96 T97	S90-F96 CarbonylContact O-C 3.57Å; S90-F96 WeakPolarHBondContact O-CA 3.06Å; S90-T97 PolarHBondContact N-O 3.04Å; S90-T97 PolarHBondContact O-N 2.84Å
91	G	96.8	Very high	97.2	Very high	39 Å²	39	44.8 Å²	44.8	40%	0.402	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137	169.1	175.4	0	0	0	0	0	113.5	V76 D95	V76-G91 WeakPolarHBondContact CG1-O 3.27Å; G91-D95 CarbonylContact C-O 3.5Å; G91-D95 WeakPolarHBondContact CA-O 3.32Å
92	A	96	Very high	97.2	Very high	72 Å²	72	46.9 Å²	46.9	60%	0.595	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162	159	175.9	0	0	0	0	0	109.8	T94 D95	A92-T94 PolarHBondContact O-N 2.92Å; A92-D95 PolarHBondContact N-O 3.37Å; A92-D95 VanDerWaalsContact N-O 3.09Å; A92-D95 PolarHBondContact O-N 2.82Å
93	G	94.3	Very high	97.2	Very high	19 Å²	19	44.1 Å²	44.1	20%	0.196	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	-104.5	179.7	0	0	0	0	0	111	L49 F96	L49-G93 PolarHBondContact N-O 3.45Å; G93-F96 WeakPolarHBondContact O-CE2 3.35Å; G93-F96 WeakPolarHBondContact O-CZ 3.44Å
94	T	95.2	Very high	97.2	Very high	49 Å²	49	45.5 Å²	45.5	30%	0.301	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-19.8	-174.8	46.9	0	0	0	0	114.1	R44 S45 Q47 A92	R44-T94 CarbonylContact C-O 3.53Å; R44-T94 VanDerWaalsContact CA-O 3.25Å; R44-T94 WeakPolarHBondContact CA-O 3.48Å; S45-T94 PolarHBondContact N-O 2.81Å; S45-T94 WeakPolarHBondContact O-CB 3.18Å; S45-T94 WeakPolarHBondContact O-CG2 3.24Å; Q47-T94 WeakPolarHBondContact O-CG2 3.35Å; A92-T94 PolarHBondContact O-N 2.92Å
95	D	97.1	Very high	97.1	Very high	65 Å²	65	47.1 Å²	47.1	35%	0.348	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.8	-166.4	-66.4	-95.3	0	0	0	111.5	R44 G91 A92	R44-D95 IonicContact CZ-OD1 2.79Å; R44-D95 VanDerWaalsContact CZ-OD1 3.22Å; R44-D95 IonicContact NE-OD1 3.93Å; R44-D95 PolarHBondContact NE-OD1 2.81Å; R44-D95 IonicContact NE-OD2 3.63Å; R44-D95 IonicContact NH2-OD1 2.77Å; R44-D95 PolarHBondContact NH2-OD1 2.95Å; G91-D95 CarbonylContact C-O 3.5Å; G91-D95 WeakPolarHBondContact CA-O 3.32Å; A92-D95 PolarHBondContact N-O 3.37Å; A92-D95 VanDerWaalsContact N-O 3.09Å; A92-D95 PolarHBondContact O-N 2.82Å
96	F	97	Very high	97	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.7	-175.3	-56.9	-87.9	0	0	0	111.2	S42 F43 L49 T56 L58 W60 V76 S90 G93	S42-F96 CarbonylContact C-O 3.5Å; S42-F96 WeakPolarHBondContact CA-O 3.5Å; F43-F96 HydrophobicContact CB-CB 4.43Å; F43-F96 HydrophobicContact CD1-CB 4.4Å; F43-F96 HydrophobicContact CD1-CD2 4.01Å; F43-F96 PolarHBondContact N-O 3.07Å; F43-F96 PolarHBondContact O-N 3.24Å; L49-F96 HydrophobicContact CB-CE2 4.24Å; L49-F96 HydrophobicContact CB-CZ 4.09Å; L49-F96 HydrophobicContact CD1-CD2 4.45Å; L49-F96 HydrophobicContact CD1-CE2 3.74Å; L49-F96 HydrophobicContact CD1-CZ 4.26Å; L49-F96 HydrophobicContact CG-CE2 4.2Å; T56-F96 HydrophobicContact CG2-CE1 3.83Å; T56-F96 HydrophobicContact CG2-CZ 3.83Å; L58-F96 HydrophobicContact CD1-CB 3.92Å; L58-F96 HydrophobicContact CD1-CD1 3.78Å; L58-F96 HydrophobicContact CD1-CD2 3.47Å; L58-F96 VanDerWaalsContact CD1-CD2 3.47Å; L58-F96 HydrophobicContact CD1-CE1 4.16Å; L58-F96 HydrophobicContact CD1-CE2 3.87Å; L58-F96 HydrophobicContact CD1-CG 3.41Å; L58-F96 VanDerWaalsContact CD1-CG 3.41Å; L58-F96 HydrophobicContact CD1-CZ 4.19Å; L58-F96 HydrophobicContact CD2-CB 4.42Å; L58-F96 HydrophobicContact CD2-CD1 4.41Å; L58-F96 HydrophobicContact CD2-CG 4.44Å; W60-F96 HydrophobicContact CZ2-CB 4.48Å; V76-F96 HydrophobicContact CG1-CD1 4.05Å; V76-F96 HydrophobicContact CG1-CE1 4.29Å; V76-F96 HydrophobicContact CG2-CD1 4.18Å; V76-F96 HydrophobicContact CG2-CE1 3.8Å; S90-F96 CarbonylContact O-C 3.57Å; S90-F96 WeakPolarHBondContact O-CA 3.06Å; G93-F96 WeakPolarHBondContact O-CE2 3.35Å; G93-F96 WeakPolarHBondContact O-CZ 3.44Å
97	T	97.3	Very high	96.8	Very high	40 Å²	40	44.3 Å²	44.3	25%	0.245	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	130.9	-177.6	-52.4	0	0	0	0	110.1	I41 G89 S90	I41-T97 CarbonylContact O-C 3.59Å; I41-T97 VanDerWaalsContact O-CA 3.28Å; I41-T97 WeakPolarHBondContact O-CA 3.39Å; G89-T97 CarbonylContact C-O 3.5Å; G89-T97 WeakPolarHBondContact CA-O 3.43Å; S90-T97 PolarHBondContact N-O 3.04Å; S90-T97 PolarHBondContact O-N 2.84Å
98	L	97.6	Very high	96.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.4	160.8	-179.7	67.2	0	0	0	108.3	S40 I41 W60 L72 I73 F87 Y111	S40-L98 CarbonylContact C-O 3.57Å; S40-L98 VanDerWaalsContact CA-O 3.23Å; S40-L98 WeakPolarHBondContact CA-O 3.42Å; I41-L98 HydrophobicContact CB-CB 4.45Å; I41-L98 PolarHBondContact N-O 2.74Å; I41-L98 PolarHBondContact O-N 2.89Å; W60-L98 HydrophobicContact CB-CD1 4.23Å; W60-L98 HydrophobicContact CB-CD2 4.3Å; W60-L98 HydrophobicContact CD2-CB 3.59Å; W60-L98 HydrophobicContact CD2-CD1 4.42Å; W60-L98 HydrophobicContact CD2-CD2 4.13Å; W60-L98 HydrophobicContact CD2-CG 4.27Å; W60-L98 HydrophobicContact CE3-CB 3.78Å; W60-L98 HydrophobicContact CE3-CD2 3.92Å; W60-L98 HydrophobicContact CE3-CG 4.42Å; W60-L98 HydrophobicContact CG-CB 4.11Å; W60-L98 HydrophobicContact CG-CD1 4.05Å; W60-L98 HydrophobicContact CG-CD2 4.31Å; W60-L98 HydrophobicContact CG-CG 4.39Å; W60-L98 HydrophobicContact CH2-CB 3.99Å; W60-L98 HydrophobicContact CZ2-CB 3.84Å; W60-L98 HydrophobicContact CZ3-CB 3.96Å; L72-L98 HydrophobicContact CD1-CD2 4.34Å; I73-L98 HydrophobicContact CG1-CD1 3.82Å; F87-L98 HydrophobicContact CD1-CD1 4.42Å; L98-Y111 HydrophobicContact CD2-CD1 3.42Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.42Å; L98-Y111 HydrophobicContact CD2-CE1 3.79Å; L98-Y111 HydrophobicContact CD2-CG 4.33Å
99	K	96.9	Very high	96.4	Very high	97 Å²	97	48.3 Å²	48.3	42%	0.422	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.5	175.6	178.2	177.4	-178.8	179.8	0	110.3	A39 F87 S88	A39-K99 WeakPolarHBondContact O-CA 3.25Å; F87-K99 WeakPolarHBondContact CA-O 3.17Å; S88-K99 PolarHBondContact N-O 2.84Å; S88-K99 PolarHBondContact O-N 2.83Å
100	I	97.2	Very high	96.2	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.046	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.6	167.9	-47.1	178.1	0	0	0	105.5	P38 A39 R86 F87 V103 D107 Y111	P38-I100 CarbonylContact C-O 3.52Å; P38-I100 WeakPolarHBondContact CA-O 3.5Å; A39-I100 PolarHBondContact N-O 3.04Å; A39-I100 PolarHBondContact O-N 3.35Å; R86-I100 CarbonylContact O-C 3.49Å; R86-I100 WeakPolarHBondContact O-CA 3.48Å; F87-I100 HydrophobicContact CD1-CD1 4.34Å; F87-I100 HydrophobicContact CD1-CG1 3.84Å; F87-I100 HydrophobicContact CE1-CD1 3.62Å; F87-I100 HydrophobicContact CE1-CG1 3.61Å; F87-I100 HydrophobicContact CE1-CG2 4.39Å; F87-I100 HydrophobicContact CZ-CD1 4.27Å; F87-I100 HydrophobicContact CZ-CG1 4.46Å; F87-I100 HydrophobicContact CZ-CG2 4.5Å; I100-V103 HydrophobicContact CB-CG2 4.04Å; I100-V103 HydrophobicContact CD1-CG2 4.48Å; I100-V103 HydrophobicContact CG2-CG2 3.9Å; I100-D107 HydrophobicContact CD1-CB 4.43Å; I100-Y111 HydrophobicContact CD1-CE1 4.39Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.32Å
101	S	97.4	Very high	96	Very high	62 Å²	62	49.7 Å²	49.7	43%	0.434	30%	0.3	S	S	.	.	S	Bend	trans	-72.4	-30	-175	56.1	0	0	0	0	113.4	P38 R86	P38-S101 WeakPolarHBondContact CA-O 3.41Å; R86-S101 VanDerWaalsContact CA-OG 3.3Å; R86-S101 WeakPolarHBondContact CA-OG 3.4Å; R86-S101 WeakPolarHBondContact CB-OG 3.44Å; R86-S101 PolarHBondContact O-N 3.45Å; R86-S101 PolarHBondContact O-OG 3.02Å
102	R	97.5	Very high	95.9	Very high	143 Å²	143	52.3 Å²	52.3	54%	0.54	30%	0.298	S	S	.	.	S	Bend	trans	-143.5	104.4	176.5	-175.5	-176.2	69.6	-173.2	-1	109.1	R86 E104	R86-R102 WeakPolarHBondContact CD-O 3.21Å; R102-E104 IonicContact CZ-OE1 3.41Å; R102-E104 IonicContact NE-OE1 3.3Å; R102-E104 PolarHBondContact NE-OE1 3.1Å; R102-E104 IonicContact NH2-OE1 3.89Å; R102-E104 PolarHBondContact NH2-OE1 2.91Å
103	V	97.2	Very high	95.8	Very high	10 Å²	10	49.4 Å²	49.4	6%	0.061	27%	0.273	C	S	.	.			trans	-71.3	134.3	-178.4	176.4	0	0	0	0	111.3	V33 L35 G36 Q37 A39 I100 D107	V33-V103 HydrophobicContact CG1-CB 4.01Å; V33-V103 HydrophobicContact CG1-CG1 3.64Å; V33-V103 HydrophobicContact CG1-CG2 3.68Å; L35-V103 HydrophobicContact CD2-CG1 4.23Å; G36-V103 PolarHBondContact N-O 3.37Å; Q37-V103 WeakPolarHBondContact O-CG2 3.26Å; Q37-V103 PolarHBondContact O-N 3.35Å; A39-V103 HydrophobicContact CB-CG2 3.7Å; I100-V103 HydrophobicContact CB-CG2 4.04Å; I100-V103 HydrophobicContact CD1-CG2 4.48Å; I100-V103 HydrophobicContact CG2-CG2 3.9Å; V103-D107 HydrophobicContact CG1-CB 4.2Å
104	E	97.6	Very high	95.8	Very high	43 Å²	43	51.6 Å²	51.6	20%	0.201	28%	0.283	C	S	.	.			trans	-117.1	163	176.2	-69.7	172.4	-165.7	0	0	111.1	R86 R102 E106 D107	R86-E104 IonicContact CZ-OE1 2.87Å; R86-E104 IonicContact CZ-OE2 3.7Å; R86-E104 IonicContact NE-OE2 3.22Å; R86-E104 VanDerWaalsContact NH1-CD 3.25Å; R86-E104 IonicContact NH1-OE1 2.71Å; R86-E104 PolarHBondContact NH1-OE1 3.26Å; R86-E104 IonicContact NH1-OE2 3.42Å; R86-E104 PolarHBondContact NH1-OE2 2.97Å; R86-E104 IonicContact NH2-OE2 3.25Å; R86-E104 PolarHBondContact NH2-OE2 2.91Å; R102-E104 IonicContact CZ-OE1 3.41Å; R102-E104 IonicContact NE-OE1 3.3Å; R102-E104 PolarHBondContact NE-OE1 3.1Å; R102-E104 IonicContact NH2-OE1 3.89Å; R102-E104 PolarHBondContact NH2-OE1 2.91Å; E104-E106 HydrophobicContact CB-CG 3.98Å; E104-E106 PolarHBondContact O-N 2.94Å; E104-E106 VanDerWaalsContact O-N 3.16Å; E104-D107 PolarHBondContact N-OD2 2.8Å; E104-D107 VanDerWaalsContact O-CB 3.31Å; E104-D107 WeakPolarHBondContact O-CB 3.37Å; E104-D107 PolarHBondContact O-N 3.46Å
105	A	95.5	Very high	95.7	Very high	72 Å²	72	51 Å²	51	60%	0.595	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-60.3	-29.1	-177	0	0	0	0	0	113	D107 V108	A105-D107 PolarHBondContact O-N 2.83Å; A105-V108 VanDerWaalsContact O-CG2 3.31Å; A105-V108 WeakPolarHBondContact O-CG2 3.5Å; A105-V108 PolarHBondContact O-N 2.85Å
106	E	95	Very high	95.4	Very high	88 Å²	88	50.4 Å²	50.4	41%	0.411	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-72.7	-10.8	175.6	65.2	-165.7	-131.1	0	0	114.1	R64 R86 E104 V108	R64-E106 PolarHBondContact NE-O 3.36Å; R64-E106 PolarHBondContact NH2-O 3.49Å; R86-E106 IonicContact CZ-OE1 3.38Å; R86-E106 IonicContact NH1-OE1 3.95Å; R86-E106 IonicContact NH2-OE1 2.78Å; R86-E106 PolarHBondContact NH2-OE1 3.09Å; E104-E106 HydrophobicContact CB-CG 3.98Å; E104-E106 PolarHBondContact O-N 2.94Å; E104-E106 VanDerWaalsContact O-N 3.16Å; E106-V108 PolarHBondContact O-N 2.89Å
107	D	95.3	Very high	95	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.037	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-81.3	-5.3	178.3	-59.4	-27.3	0	0	0	112	Q62 R86 F87 I100 V103 E104 A105 G109 Y111	Q62-D107 PolarHBondContact NE2-O 2.87Å; Q62-D107 VanDerWaalsContact NE2-O 3.08Å; R86-D107 IonicContact CZ-OD1 3.97Å; R86-D107 IonicContact CZ-OD2 2.74Å; R86-D107 IonicContact NE-OD1 3.59Å; R86-D107 PolarHBondContact NE-OD1 3.48Å; R86-D107 IonicContact NE-OD2 3.97Å; R86-D107 PolarHBondContact NE-OD2 2.88Å; R86-D107 IonicContact NH2-OD1 3.42Å; R86-D107 PolarHBondContact NH2-OD1 3.26Å; R86-D107 IonicContact NH2-OD2 3.16Å; F87-D107 VanDerWaalsContact CZ-OD1 3.29Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.24Å; I100-D107 HydrophobicContact CD1-CB 4.43Å; V103-D107 HydrophobicContact CG1-CB 4.2Å; E104-D107 PolarHBondContact N-OD2 2.8Å; E104-D107 VanDerWaalsContact O-CB 3.31Å; E104-D107 WeakPolarHBondContact O-CB 3.37Å; E104-D107 PolarHBondContact O-N 3.46Å; A105-D107 PolarHBondContact O-N 2.83Å; D107-G109 PolarHBondContact O-N 3.14Å; D107-G109 VanDerWaalsContact O-N 3.16Å; D107-Y111 WeakPolarHBondContact O-CE2 3.49Å; D107-Y111 PolarHBondContact O-OH 2.82Å
108	V	93.2	Very high	94.1	Very high	98 Å²	98	52 Å²	52	59%	0.594	29%	0.286	S	S	*	.			trans	-61.5	116.8	175.2	176.4	0	0	0	0	110.7	A105 E106	A105-V108 VanDerWaalsContact O-CG2 3.31Å; A105-V108 WeakPolarHBondContact O-CG2 3.5Å; A105-V108 PolarHBondContact O-N 2.85Å; E106-V108 PolarHBondContact O-N 2.89Å
109	G	93.8	Very high	92.8	Very high	30 Å²	30	59.8 Å²	59.8	31%	0.309	32%	0.32	S	S	.	.	S	Bend	trans	174.3	179.6	178.3	0	0	0	0	0	112.4	Q63 D107	Q63-G109 CarbonylContact O-C 3.54Å; Q63-G109 WeakPolarHBondContact O-CA 3.45Å; D107-G109 PolarHBondContact O-N 3.14Å; D107-G109 VanDerWaalsContact O-N 3.16Å
110	V	93.9	Very high	91.1	Very high	77 Å²	77	62.9 Å²	62.9	47%	0.467	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	136.2	171	-173.7	0	0	0	0	108.6	Q62 Q63 Y112	Q62-V110 CarbonylContact C-O 3.58Å; Q62-V110 WeakPolarHBondContact CA-O 3.37Å; Q63-V110 PolarHBondContact N-O 2.85Å; Q63-V110 PolarHBondContact O-N 3.34Å; V110-Y112 HydrophobicContact CB-CE2 4.05Å; V110-Y112 HydrophobicContact CG1-CD1 4.45Å; V110-Y112 HydrophobicContact CG1-CD2 4.48Å; V110-Y112 HydrophobicContact CG1-CE1 3.8Å; V110-Y112 HydrophobicContact CG1-CE2 3.82Å; V110-Y112 VanDerWaalsContact CG1-CZ 3.43Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.26Å
111	Y	95.2	Very high	90.8	Very high	20 Å²	20	65.6 Å²	65.6	8%	0.078	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.5	178.3	-70.7	-98.1	0	0	0	109.8	Q26 I41 L61 Q62 L72 F87 L98 I100 D107	Q26-Y111 PolarHBondContact NE2-O 2.62Å; Q26-Y111 PolarHBondContact OE1-O 2.83Å; I41-Y111 HydrophobicContact CD1-CD1 4.22Å; I41-Y111 HydrophobicContact CD1-CD2 3.75Å; I41-Y111 HydrophobicContact CD1-CE2 4.49Å; I41-Y111 HydrophobicContact CD1-CG 3.58Å; L61-Y111 CarbonylContact O-C 3.56Å; L61-Y111 VanDerWaalsContact O-CA 3.32Å; L61-Y111 WeakPolarHBondContact O-CA 3.08Å; Q62-Y111 HydrophobicContact CB-CD1 4.1Å; Q62-Y111 HydrophobicContact CB-CE1 3.91Å; Q62-Y111 HydrophobicContact CG-CD1 4.31Å; Q62-Y111 HydrophobicContact CG-CE1 3.86Å; Q62-Y111 HydrophobicContact CG-CE2 4.3Å; Q62-Y111 PolarHBondContact NE2-OH 3.29Å; L72-Y111 HydrophobicContact CD1-CD1 3.95Å; L72-Y111 HydrophobicContact CD1-CE1 3.54Å; F87-Y111 HydrophobicContact CE1-CE1 4Å; L98-Y111 HydrophobicContact CD2-CD1 3.42Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.42Å; L98-Y111 HydrophobicContact CD2-CE1 3.79Å; L98-Y111 HydrophobicContact CD2-CG 4.33Å; I100-Y111 HydrophobicContact CD1-CE1 4.39Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.32Å; D107-Y111 WeakPolarHBondContact O-CE2 3.49Å; D107-Y111 PolarHBondContact O-OH 2.82Å
112	Y	94.4	Very high	90.4	Very high	94 Å²	94	65.8 Å²	65.8	37%	0.369	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	140.7	179	-56.8	-79.4	0	0	0	109.9	W60 L61 Q63 V110	W60-Y112 CarbonylContact C-O 3.54Å; W60-Y112 WeakPolarHBondContact CA-O 3.42Å; L61-Y112 PolarHBondContact N-O 3.02Å; L61-Y112 PolarHBondContact O-N 2.8Å; Q63-Y112 HydrophobicContact CB-CE2 3.81Å; Q63-Y112 PolarHBondContact OE1-OH 3.16Å; V110-Y112 HydrophobicContact CB-CE2 4.05Å; V110-Y112 HydrophobicContact CG1-CD1 4.45Å; V110-Y112 HydrophobicContact CG1-CD2 4.48Å; V110-Y112 HydrophobicContact CG1-CE1 3.8Å; V110-Y112 HydrophobicContact CG1-CE2 3.82Å; V110-Y112 VanDerWaalsContact CG1-CZ 3.43Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.26Å
113	C	94.2	Very high	90	Very high	11 Å²	11	61.5 Å²	61.5	7%	0.074	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.6	167.5	-178.5	0	0	0	0	108.8	F43 L58 S59 W60	F43-C113 HydrophobicContact CB-CB 4.1Å; F43-C113 HydrophobicContact CD1-CB 4.45Å; F43-C113 VanDerWaalsContact CD1-SG 3.51Å; F43-C113 HydrophobicContact CD2-CB 3.34Å; F43-C113 WeakPolarHBondContact CD2-SG 3.01Å; F43-C113 HydrophobicContact CE2-CB 3.68Å; F43-C113 HydrophobicContact CG-CB 3.73Å; F43-C113 WeakPolarHBondContact CG-SG 3.35Å; F43-C113 HydrophobicContact CZ-CB 4.4Å; L58-C113 VanDerWaalsContact CD1-SG 3.52Å; S59-C113 WeakPolarHBondContact O-CA 3.43Å; W60-C113 HydrophobicContact CD2-CB 4.25Å; W60-C113 HydrophobicContact CE3-CB 3.82Å; W60-C113 HydrophobicContact CH2-CB 3.94Å; W60-C113 HydrophobicContact CZ2-CB 4.31Å; W60-C113 HydrophobicContact CZ3-CB 3.67Å
114	T	93.4	Very high	89.6	Confident	65 Å²	65	64.5 Å²	64.5	40%	0.399	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	150.5	177.9	67.5	0	0	0	0	109.8	L58 S59 L61	L58-T114 CarbonylContact C-O 3.13Å; L58-T114 WeakPolarHBondContact CA-O 3.47Å; S59-T114 PolarHBondContact N-O 3.27Å; S59-T114 PolarHBondContact O-N 3.1Å; L61-T114 HydrophobicContact CD1-CG2 3.72Å
115	Q	92.8	Very high	89.1	Confident	37 Å²	37	65.9 Å²	65.9	17%	0.173	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.5	176.3	73.5	82	29.2	0	0	110.2	M24 L49 Y57 Q118	M24-Q115 HydrophobicContact SD-CG 3.95Å; L49-Q115 HydrophobicContact CD1-CB 3.7Å; L49-Q115 HydrophobicContact CD1-CG 3.91Å; L49-Q115 HydrophobicContact CD2-CB 4.38Å; L49-Q115 HydrophobicContact CD2-CG 3.87Å; Y57-Q115 WeakPolarHBondContact O-CA 3.23Å; Q115-Q118 PolarHBondContact NE2-O 3.38Å
116	A	91.8	Very high	88.7	Confident	53 Å²	53	65.5 Å²	65.5	44%	0.438	37%	0.366	S	S	.	.			trans	-122.2	16.5	173.9	0	0	0	0	0	111.7	Y57	Y57-A116 PolarHBondContact O-N 3.13Å
117	T	87.3	Confident	88.2	Confident	4 Å²	4	63.9 Å²	63.9	3%	0.025	36%	0.362	C	S	.	.	S	Bend	trans	-70.7	-44.5	177.8	-58.9	0	0	0	0	110.5	L49 V50 H51 Y57	L49-T117 WeakPolarHBondContact O-CB 3.44Å; L49-T117 WeakPolarHBondContact O-CG2 3.34Å; L49-T117 PolarHBondContact O-OG1 3.46Å; V50-T117 VanDerWaalsContact C-CG2 3.45Å; H51-T117 HydrophobicContact CB-CG2 3.57Å; Y57-T117 PolarHBondContact N-OG1 3.4Å
118	Q	79.6	Confident	87.7	Confident	72 Å²	72	68.2 Å²	68.2	34%	0.336	39%	0.387	S	S	.	.			trans	-121.8	127.5	-172.3	-65.5	-68.2	-16.4	0	0	108.8	I22 L49 Q115	I22-Q118 HydrophobicContact CD1-CB 3.11Å; I22-Q118 HydrophobicContact CD1-CG 3.59Å; L49-Q118 HydrophobicContact CD2-CG 4.42Å; Q115-Q118 PolarHBondContact NE2-O 3.38Å
119	F	70.6	Confident	87.2	Confident	163 Å²	163	65.8 Å²	65.8	72%	0.715	37%	0.37	S	S	*	.			trans	-102.9	148.5	170.7	-64.3	-86.1	0	0	0	108.4
120	P	59.5	Low	86.6	Confident	163 Å²	163	69 Å²	69	100%	1.058	38%	0.376	S	S	*	.			trans	-55.1	0	168	-19.3	30.8	0	0	0	112.4

Retrieved 120 of 120 residues in 83.4 ms (Link to these results)

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