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Probable non-functional immunoglobulin kappa variable 1-37

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 (P0DSN7), UniProt , Accession A0A075B6S9, Species HUMAN (Homo sapiens, Human), Gene IGKV1-37, Length 117 aa.

						>KV137_HUMAN|A0A075B6S9|IGKV1-37
MDMRVPAQLLGLLLLWVPGARCDIQLTQSPSSLSASVGDRVTITCRVSQGISSYLNWYRQKPGKVPKLLIYSASNLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYGQRTYNAP
					

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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	52	Low	56.9	Low	232 Å²	232	144.5 Å²	144.5	100%	1.143	77%	0.771	S	S	*	*				0	84.4	0	-72.4	174.1	176	0	0	106.5	M3	M1-M3 PolarHBondContact O-N 3.35Å
2	D	50.4	Low	57.1	Low	171 Å²	171	143.1 Å²	143.1	91%	0.914	76%	0.762	S	S	*	*			trans	-81.6	103	-178.6	-67.1	-70.2	0	0	0	109.4	R4	D2-R4 PolarHBondContact O-N 3.07Å
3	M	59.7	Low	57.3	Low	172 Å²	172	143.3 Å²	143.3	85%	0.847	76%	0.762	S	S	*	*			trans	-97.3	90.4	179	-153.9	174.7	-77.1	0	0	108.9	M1 V5	M1-M3 PolarHBondContact O-N 3.35Å; M3-V5 PolarHBondContact O-N 2.87Å
4	R	58.3	Low	57.5	Low	242 Å²	242	143.1 Å²	143.1	91%	0.913	76%	0.76	S	S	*	*			trans	-78.1	96.4	174.8	-157.3	179.8	-166.2	-156.3	4.6	108.6	D2	D2-R4 PolarHBondContact O-N 3.07Å
5	V	60.7	Low	57.8	Low	119 Å²	119	143.4 Å²	143.4	72%	0.721	76%	0.761	S	S	*	*			trans	-69.6	126.7	174.4	-178.6	0	0	0	0	108.9	M3 A7	M3-V5 PolarHBondContact O-N 2.87Å; V5-A7 PolarHBondContact O-N 2.75Å
6	P	58.1	Low	58.1	Low	77 Å²	77	148.8 Å²	148.8	50%	0.5	77%	0.768	S	S	.	*			trans	-76.7	120.8	-178.9	28.4	-28.6	0	0	0	110	Q8 L9	P6-Q8 PolarHBondContact O-N 3.34Å; P6-L9 HydrophobicContact CG-CD1 4.4Å
7	A	59.7	Low	58.6	Low	94 Å²	94	146.6 Å²	146.6	78%	0.777	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	1.3	177.6	0	0	0	0	0	115.1	V5	V5-A7 PolarHBondContact O-N 2.75Å
8	Q	56.8	Low	58.9	Low	160 Å²	160	144.8 Å²	144.8	75%	0.748	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-22.9	-176	-59.5	-85.7	-63.3	0	0	112.7	P6	P6-Q8 PolarHBondContact O-N 3.34Å
9	L	55.3	Low	59	Low	129 Å²	129	140.5 Å²	140.5	68%	0.675	76%	0.756	S	S	*	*	H	α-helix	trans	-76.9	-24.7	-176.9	-89.2	148.2	0	0	0	113.8	P6	P6-L9 HydrophobicContact CG-CD1 4.4Å
10	L	56.2	Low	59.2	Low	148 Å²	148	137.8 Å²	137.8	78%	0.775	75%	0.754	S	S	*	*	H	α-helix	trans	-74.7	-27	-177.2	-125	80.9	0	0	0	113.2
11	G	58.7	Low	59.4	Low	45 Å²	45	141.4 Å²	141.4	46%	0.464	76%	0.756	S	S	.	*	H	α-helix	trans	-79.3	-28.3	-176.5	0	0	0	0	0	114.7
12	L	59.6	Low	60.3	Low	128 Å²	128	135.3 Å²	135.3	67%	0.67	74%	0.735	S	S	*	*	H	α-helix	trans	-75.6	-27.2	-179.1	-88.1	134.1	0	0	0	113.2
13	L	58.9	Low	62	Low	146 Å²	146	133.5 Å²	133.5	76%	0.764	73%	0.726	S	S	*	*	H	α-helix	trans	-74.4	-26.7	-176.8	-138.8	83.9	0	0	0	113.3
14	L	60.5	Low	63.3	Low	140 Å²	140	127.4 Å²	127.4	73%	0.733	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-80.5	-16.6	-176.8	-70.2	168.9	0	0	0	113.7	W16	L14-W16 VanDerWaalsContact C-N 3.3Å; L14-W16 PolarHBondContact O-N 3.44Å
15	L	62.4	Low	65	Low	148 Å²	148	121.2 Å²	121.2	78%	0.775	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-84.6	-1.1	-178.8	-76.7	159.9	0	0	0	113.7
16	W	61.5	Low	66.7	Low	229 Å²	229	118.5 Å²	118.5	87%	0.867	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-118	26.3	-173.6	-95.1	57.4	0	0	0	113.8	L14 P18	L14-W16 VanDerWaalsContact C-N 3.3Å; L14-W16 PolarHBondContact O-N 3.44Å; W16-P18 WeakPolarHBondContact O-CD 3.43Å
17	V	67.2	Low	68.6	Low	113 Å²	113	119.3 Å²	119.3	69%	0.685	66%	0.662	S	S	*	*			trans	-87.2	96	166.9	-171.7	0	0	0	0	107.8	G19	V17-G19 PolarHBondContact O-N 3.32Å
18	P	63.9	Low	70.4	Confident	113 Å²	113	117.8 Å²	117.8	73%	0.734	64%	0.639	S	S	*	*			trans	-55.5	116.9	165.3	23.5	-32.6	0	0	0	106.9	W16 A20	W16-P18 WeakPolarHBondContact O-CD 3.43Å; P18-A20 PolarHBondContact O-N 3.42Å
19	G	61.4	Low	72.4	Confident	64 Å²	64	113.2 Å²	113.2	66%	0.66	63%	0.625	S	S	*	*			trans	-51.5	117.1	-177.8	0	0	0	0	0	109.7	V17 R21	V17-G19 PolarHBondContact O-N 3.32Å; G19-R21 PolarHBondContact O-N 2.85Å
20	A	62.1	Low	74.5	Confident	86 Å²	86	109.6 Å²	109.6	71%	0.711	61%	0.609	S	S	*	*			trans	-63.2	99.3	177.7	0	0	0	0	0	108.3	P18 C22	P18-A20 PolarHBondContact O-N 3.42Å; A20-C22 VanDerWaalsContact C-N 3.3Å; A20-C22 PolarHBondContact O-N 2.73Å
21	R	63.1	Low	76.4	Confident	213 Å²	213	108.6 Å²	108.6	80%	0.804	61%	0.614	S	S	*	*			trans	-77.5	85.3	172.8	-67.1	-168.4	-169.9	-110.8	4.7	108.2	G19 D23	G19-R21 PolarHBondContact O-N 2.85Å; R21-D23 VanDerWaalsContact C-N 3.27Å
22	C	71.9	Confident	78.3	Confident	104 Å²	104	111.1 Å²	111.1	70%	0.703	63%	0.625	S	S	*	*			trans	-80.6	-3.9	177.7	-71.3	0	0	0	0	113.9	A20	A20-C22 VanDerWaalsContact C-N 3.3Å; A20-C22 PolarHBondContact O-N 2.73Å
23	D	84.9	Confident	80.1	Confident	134 Å²	134	109 Å²	109	72%	0.717	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-83.2	137.2	-177.7	-74.1	-21.7	0	0	0	113	R21 Q25	R21-D23 VanDerWaalsContact C-N 3.27Å; D23-Q25 PolarHBondContact O-N 2.9Å
24	I	88.7	Confident	81.9	Confident	44 Å²	44	108.1 Å²	108.1	23%	0.226	62%	0.62	C	S	.	*	P	Polyproline II helix	trans	-79.9	116.7	171.4	-61.3	-179.7	0	0	0	108.2	L26 V47 Q49 I51 R112	I24-L26 HydrophobicContact CG2-CD1 4.43Å; I24-V47 HydrophobicContact CG2-CG1 3.21Å; I24-Q49 HydrophobicContact CD1-CB 4.47Å; I24-Q49 HydrophobicContact CG1-CB 4.36Å; I24-Q49 HydrophobicContact CG1-CG 4.45Å; I24-I51 HydrophobicContact CG2-CG2 4.48Å; I24-R112 VanDerWaalsContact CD1-NH1 3.29Å
25	Q	93.9	Very high	83.7	Confident	111 Å²	111	103.1 Å²	103.1	52%	0.519	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-96.1	133.1	-177.5	-60.7	-172.5	-47.6	0	0	110.1	D23 V47 S48	D23-Q25 PolarHBondContact O-N 2.9Å; Q25-V47 CarbonylContact O-C 3.57Å; Q25-V47 WeakPolarHBondContact O-CA 3.29Å; Q25-S48 PolarHBondContact N-OG 2.72Å; Q25-S48 PolarHBondContact O-N 2.74Å
26	L	96.1	Very high	85.4	Confident	62 Å²	62	99.9 Å²	99.9	33%	0.325	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	128.7	172.7	-72.1	81	0	0	0	108.8	I24 R46 V47 L55 G110 R112	I24-L26 HydrophobicContact CG2-CD1 4.43Å; L26-R46 CarbonylContact C-O 3.48Å; L26-R46 WeakPolarHBondContact CA-O 3.3Å; L26-V47 HydrophobicContact CD1-CG1 4.38Å; L26-V47 HydrophobicContact CG-CG1 4.31Å; L26-V47 HydrophobicContact CG-CG2 4.24Å; L26-L55 HydrophobicContact CD2-CD1 4.09Å; L26-G110 WeakPolarHBondContact CD2-O 3.11Å; L26-R112 HydrophobicContact CD1-CB 4.43Å
27	T	97.7	Very high	87.1	Confident	94 Å²	94	93.6 Å²	93.6	58%	0.577	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.8	125.8	175.9	-57.2	0	0	0	0	109.2	C45 R46	T27-C45 CarbonylContact O-C 3.57Å; T27-C45 WeakPolarHBondContact O-CA 3.36Å; T27-R46 PolarHBondContact N-O 3.39Å; T27-R46 PolarHBondContact O-N 3.1Å
28	Q	98.4	Very high	88.6	Confident	62 Å²	62	90 Å²	90	29%	0.29	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	146.7	178.2	-75.9	179.4	-122.8	0	0	112.2	T44 C45 Y108	Q28-T44 WeakPolarHBondContact CA-O 3.37Å; Q28-C45 HydrophobicContact CG-CB 4.03Å; Q28-Y108 PolarHBondContact NE2-O 2.9Å
29	S	98.3	Very high	90.3	Very high	65 Å²	65	88.1 Å²	88.1	46%	0.455	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142	175.4	-177.4	0	0	0	0	111.4	I43 T44	S29-I43 WeakPolarHBondContact O-CA 3.5Å; S29-T44 PolarHBondContact N-O 2.9Å; S29-T44 PolarHBondContact O-N 2.92Å; S29-T44 PolarHBondContact O-OG1 3.13Å
30	P	98.4	Very high	92	Very high	52 Å²	52	93.4 Å²	93.4	34%	0.338	55%	0.545	S	S	.	.			cis	-75.6	165.4	-8.2	34.4	-36	0	0	0	111.7	S32 L33	P30-S32 VanDerWaalsContact C-N 3.33Å; P30-S32 WeakPolarHBondContact CB-O 3.49Å; P30-L33 HydrophobicContact CG-CB 3.87Å; P30-L33 HydrophobicContact CG-CD2 3.71Å; P30-L33 HydrophobicContact CG-CG 4.41Å
31	S	97.5	Very high	93.8	Very high	127 Å²	127	89.8 Å²	89.8	89%	0.888	51%	0.514	S	S	*	.	S	Bend	trans	-71.4	-29.5	174.7	53.8	0	0	0	0	112.7
32	S	97.6	Very high	95.5	Very high	99 Å²	99	82.4 Å²	82.4	69%	0.692	49%	0.493	S	S	*	.			trans	-151.8	156	167.9	71	0	0	0	0	109.6	P30	P30-S32 VanDerWaalsContact C-N 3.33Å; P30-S32 WeakPolarHBondContact CB-O 3.49Å
33	L	97	Very high	96.7	Very high	84 Å²	84	78.1 Å²	78.1	44%	0.44	46%	0.463	S	S	.	.			trans	-147.2	149.6	174.2	67.9	98.7	0	0	0	109.7	P30 A35 V41 I43	P30-L33 HydrophobicContact CG-CB 3.87Å; P30-L33 HydrophobicContact CG-CD2 3.71Å; P30-L33 HydrophobicContact CG-CG 4.41Å; L33-A35 HydrophobicContact CD1-CB 3.89Å; L33-V41 HydrophobicContact CD1-CG1 3.78Å; L33-V41 HydrophobicContact CD1-CG2 3.91Å; L33-V41 HydrophobicContact CD2-CG1 3.55Å; L33-V41 HydrophobicContact CG-CG1 4.32Å; L33-I43 HydrophobicContact CD2-CG1 4.29Å
34	S	97.5	Very high	97.4	Very high	127 Å²	127	74.6 Å²	74.6	89%	0.888	45%	0.446	S	S	*	.			trans	-112.4	135.2	168.7	-169.9	0	0	0	0	108.3
35	A	97.4	Very high	97.9	Very high	35 Å²	35	72.5 Å²	72.5	29%	0.289	44%	0.436	S	S	.	.			trans	-150.4	155.4	-177.1	0	0	0	0	0	109.7	L33 D39 V41 L100	L33-A35 HydrophobicContact CD1-CB 3.89Å; A35-D39 HydrophobicContact CB-CB 4.13Å; A35-V41 HydrophobicContact CB-CG2 3.83Å; A35-L100 HydrophobicContact CB-CD2 3.78Å
36	S	98.3	Very high	98.1	Very high	80 Å²	80	74.7 Å²	74.7	56%	0.559	44%	0.439	S	S	*	.			trans	-88.2	158.9	178.2	-58.2	0	0	0	0	111.4	G38 D39	S36-G38 PolarHBondContact O-N 3Å; S36-D39 WeakPolarHBondContact CB-OD2 3.38Å; S36-D39 PolarHBondContact N-OD2 3.42Å; S36-D39 VanDerWaalsContact O-CB 3.28Å; S36-D39 WeakPolarHBondContact O-CB 3.35Å; S36-D39 PolarHBondContact O-N 3Å
37	V	98.5	Very high	98.1	Very high	96 Å²	96	71.9 Å²	71.9	58%	0.582	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	131.9	169.9	175.2	0	0	0	0	109.1	L100 P102	V37-L100 WeakPolarHBondContact CA-O 3.28Å; V37-P102 HydrophobicContact CG2-CG 4.03Å
38	G	98.5	Very high	98	Very high	39 Å²	39	70.6 Å²	70.6	40%	0.402	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	-18.3	-175.9	0	0	0	0	0	114.5	S36 L100	S36-G38 PolarHBondContact O-N 3Å; G38-L100 PolarHBondContact N-O 3.47Å
39	D	98.6	Very high	97.8	Very high	72 Å²	72	72.1 Å²	72.1	39%	0.385	43%	0.426	S	S	.	.			trans	-64.7	148.4	179.5	-72.9	-9.4	0	0	0	111.5	A35 S36 L100	A35-D39 HydrophobicContact CB-CB 4.13Å; S36-D39 WeakPolarHBondContact CB-OD2 3.38Å; S36-D39 PolarHBondContact N-OD2 3.42Å; S36-D39 VanDerWaalsContact O-CB 3.28Å; S36-D39 WeakPolarHBondContact O-CB 3.35Å; S36-D39 PolarHBondContact O-N 3Å; D39-L100 WeakPolarHBondContact O-CB 3.34Å; D39-L100 PolarHBondContact O-N 2.92Å
40	R	98.6	Very high	97.6	Very high	175 Å²	175	71.5 Å²	71.5	66%	0.66	43%	0.431	S	S	*	.			trans	-82.8	123	166.9	-179.9	-177.6	175.8	120	-0.8	109.3	T96 I97	R40-T96 HydrophobicContact CG-CG2 4.18Å; R40-I97 WeakPolarHBondContact CA-O 3.46Å
41	V	98.4	Very high	97.4	Very high	11 Å²	11	69.2 Å²	69.2	7%	0.067	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.9	176.2	175.5	0	0	0	0	110	L33 A35 I43 T96 I97 L100	L33-V41 HydrophobicContact CD1-CG1 3.78Å; L33-V41 HydrophobicContact CD1-CG2 3.91Å; L33-V41 HydrophobicContact CD2-CG1 3.55Å; L33-V41 HydrophobicContact CG-CG1 4.32Å; A35-V41 HydrophobicContact CB-CG2 3.83Å; V41-I43 HydrophobicContact CG1-CG1 4.45Å; V41-T96 CarbonylContact O-C 3.54Å; V41-T96 WeakPolarHBondContact O-CA 3.29Å; V41-I97 HydrophobicContact CB-CB 4.37Å; V41-I97 PolarHBondContact N-O 3.34Å; V41-I97 PolarHBondContact O-N 3.29Å; V41-L100 HydrophobicContact CG2-CB 4.45Å; V41-L100 HydrophobicContact CG2-CD1 4.25Å; V41-L100 HydrophobicContact CG2-CD2 4.17Å
42	T	98.6	Very high	97.4	Very high	57 Å²	57	66.6 Å²	66.6	35%	0.35	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	128.5	173.9	-59	0	0	0	0	110.1	L95	T42-L95 CarbonylContact C-O 3.6Å; T42-L95 WeakPolarHBondContact CA-O 3.4Å
43	I	98.6	Very high	97.3	Very high	14 Å²	14	63.9 Å²	63.9	7%	0.072	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.5	175.1	-59	167.9	0	0	0	107	S29 L33 V41 W57 T94 L95 Y108	S29-I43 WeakPolarHBondContact O-CA 3.5Å; L33-I43 HydrophobicContact CD2-CG1 4.29Å; V41-I43 HydrophobicContact CG1-CG1 4.45Å; I43-W57 HydrophobicContact CG2-CH2 4.07Å; I43-W57 HydrophobicContact CG2-CZ3 4.01Å; I43-T94 CarbonylContact O-C 3.49Å; I43-T94 VanDerWaalsContact O-CA 3.29Å; I43-T94 WeakPolarHBondContact O-CA 3.27Å; I43-L95 HydrophobicContact CB-CB 4.45Å; I43-L95 HydrophobicContact CD1-CD2 4.43Å; I43-L95 PolarHBondContact N-O 2.98Å; I43-L95 PolarHBondContact O-N 2.84Å; I43-Y108 HydrophobicContact CD1-CD2 3.88Å; I43-Y108 HydrophobicContact CD1-CG 3.84Å
44	T	98.7	Very high	97.3	Very high	60 Å²	60	64.4 Å²	64.4	37%	0.368	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	150.6	178.1	66.6	0	0	0	0	110.7	Q28 S29 F93 T94	Q28-T44 WeakPolarHBondContact CA-O 3.37Å; S29-T44 PolarHBondContact N-O 2.9Å; S29-T44 PolarHBondContact O-N 2.92Å; S29-T44 PolarHBondContact O-OG1 3.13Å; T44-F93 CarbonylContact C-O 3.58Å; T44-F93 WeakPolarHBondContact CA-O 3.41Å; T44-T94 HydrophobicContact CG2-CG2 4.15Å
45	C	98.4	Very high	97.3	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.007	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	120.6	169.5	-176.7	0	0	0	0	108.5	T27 Q28 W57 F93	T27-C45 CarbonylContact O-C 3.57Å; T27-C45 WeakPolarHBondContact O-CA 3.36Å; Q28-C45 HydrophobicContact CG-CB 4.03Å; C45-W57 HydrophobicContact CB-CH2 3.71Å; C45-W57 HydrophobicContact CB-CZ2 3.99Å; C45-F93 HydrophobicContact CB-CB 4.35Å; C45-F93 PolarHBondContact N-O 2.98Å; C45-F93 PolarHBondContact O-N 2.96Å
46	R	98.3	Very high	97.3	Very high	157 Å²	157	56.8 Å²	56.8	59%	0.592	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.1	172.7	179.7	167.8	-71.5	144.5	0.9	110	L26 T27 T91 D92	L26-R46 CarbonylContact C-O 3.48Å; L26-R46 WeakPolarHBondContact CA-O 3.3Å; T27-R46 PolarHBondContact N-O 3.39Å; T27-R46 PolarHBondContact O-N 3.1Å; R46-T91 CarbonylContact C-O 3.58Å; R46-T91 VanDerWaalsContact CA-O 3.29Å; R46-T91 WeakPolarHBondContact CA-O 3.22Å; R46-D92 IonicContact CZ-OD1 3.3Å; R46-D92 VanDerWaalsContact CZ-OD1 3.3Å; R46-D92 IonicContact NE-OD1 2.85Å; R46-D92 PolarHBondContact NE-OD1 2.81Å; R46-D92 IonicContact NH2-OD1 2.86Å; R46-D92 PolarHBondContact NH2-OD1 2.81Å
47	V	96.6	Very high	97.3	Very high	3 Å²	3	53 Å²	53	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.6	-178.3	-163.9	0	0	0	0	109.4	I24 Q25 L26 Q49 I51 L55 T91 F93	I24-V47 HydrophobicContact CG2-CG1 3.21Å; Q25-V47 CarbonylContact O-C 3.57Å; Q25-V47 WeakPolarHBondContact O-CA 3.29Å; L26-V47 HydrophobicContact CD1-CG1 4.38Å; L26-V47 HydrophobicContact CG-CG1 4.31Å; L26-V47 HydrophobicContact CG-CG2 4.24Å; V47-Q49 WeakPolarHBondContact CG1-O 3.4Å; V47-Q49 PolarHBondContact O-N 3.33Å; V47-Q49 VanDerWaalsContact O-N 3.15Å; V47-I51 HydrophobicContact CB-CG2 3.99Å; V47-I51 HydrophobicContact CG1-CG2 3.4Å; V47-I51 VanDerWaalsContact CG1-CG2 3.4Å; V47-I51 HydrophobicContact CG2-CD1 3.99Å; V47-I51 HydrophobicContact CG2-CG2 4.31Å; V47-L55 HydrophobicContact CG2-CD1 4.34Å; V47-T91 PolarHBondContact N-O 2.76Å; V47-T91 WeakPolarHBondContact O-CB 3.49Å; V47-F93 HydrophobicContact CG2-CD2 4Å; V47-F93 HydrophobicContact CG2-CE2 3.84Å
48	S	95.8	Very high	97.3	Very high	66 Å²	66	50.2 Å²	50.2	46%	0.462	27%	0.272	S	S	.	.	S	Bend	trans	-66.3	-15.8	-174.8	63.8	0	0	0	0	114.4	Q25	Q25-S48 PolarHBondContact N-OG 2.72Å; Q25-S48 PolarHBondContact O-N 2.74Å
49	Q	93.6	Very high	97.3	Very high	94 Å²	94	50.3 Å²	50.3	44%	0.439	26%	0.26	S	S	.	.	S	Bend	trans	-141.5	156	178.6	-61.5	-178.5	33.2	0	0	109.6	I24 V47 I51	I24-Q49 HydrophobicContact CD1-CB 4.47Å; I24-Q49 HydrophobicContact CG1-CB 4.36Å; I24-Q49 HydrophobicContact CG1-CG 4.45Å; V47-Q49 WeakPolarHBondContact CG1-O 3.4Å; V47-Q49 PolarHBondContact O-N 3.33Å; V47-Q49 VanDerWaalsContact O-N 3.15Å; Q49-I51 WeakPolarHBondContact O-CG2 3.45Å; Q49-I51 PolarHBondContact O-N 2.89Å
50	G	95.1	Very high	97.3	Very high	53 Å²	53	49.5 Å²	49.5	55%	0.546	25%	0.254	S	S	.	.			trans	-62	129.9	177.9	0	0	0	0	0	112.4	G90	G50-G90 WeakPolarHBondContact CA-O 3.43Å
51	I	94.8	Very high	97.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.239	C	C	.	.			trans	-119.5	15.3	-177.5	82.8	170.7	0	0	0	112.6	I24 V47 Q49 S53 Y54 L55 G90 F93 R112	I24-I51 HydrophobicContact CG2-CG2 4.48Å; V47-I51 HydrophobicContact CB-CG2 3.99Å; V47-I51 HydrophobicContact CG1-CG2 3.4Å; V47-I51 VanDerWaalsContact CG1-CG2 3.4Å; V47-I51 HydrophobicContact CG2-CD1 3.99Å; V47-I51 HydrophobicContact CG2-CG2 4.31Å; Q49-I51 WeakPolarHBondContact O-CG2 3.45Å; Q49-I51 PolarHBondContact O-N 2.89Å; I51-S53 PolarHBondContact O-N 2.6Å; I51-Y54 WeakPolarHBondContact O-CB 3.45Å; I51-Y54 WeakPolarHBondContact O-CD2 2.98Å; I51-Y54 PolarHBondContact O-N 3.23Å; I51-L55 HydrophobicContact CD1-CB 3.94Å; I51-L55 HydrophobicContact CD1-CD1 3.77Å; I51-L55 HydrophobicContact CD1-CG 4.48Å; I51-G90 PolarHBondContact N-O 2.84Å; I51-F93 HydrophobicContact CD1-CE2 3.75Å; I51-F93 HydrophobicContact CD1-CZ 3.78Å; I51-F93 HydrophobicContact CG1-CE1 4.43Å; I51-F93 HydrophobicContact CG1-CE2 3.6Å; I51-F93 HydrophobicContact CG1-CZ 3.36Å; I51-R112 HydrophobicContact CB-CG 4.38Å; I51-R112 HydrophobicContact CD1-CB 4.09Å; I51-R112 HydrophobicContact CD1-CG 4.07Å; I51-R112 HydrophobicContact CG2-CG 4.46Å
52	S	96	Very high	97.2	Very high	71 Å²	71	49.8 Å²	49.8	50%	0.497	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	-127.4	-169.9	-172.6	0	0	0	0	109.9	S89 G90 F93	S52-S89 CarbonylContact O-C 3.14Å; S52-S89 WeakPolarHBondContact O-CA 3.49Å; S52-G90 PolarHBondContact O-N 2.85Å; S52-F93 WeakPolarHBondContact O-CZ 3.38Å
53	S	96.3	Very high	97.1	Very high	43 Å²	43	51.2 Å²	51.2	30%	0.301	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	15.8	172.2	58.2	0	0	0	0	113.3	I51 L55 S72 A73	I51-S53 PolarHBondContact O-N 2.6Å; S53-L55 PolarHBondContact O-N 3.18Å; S53-S72 CarbonylContact O-C 3.57Å; S53-S72 WeakPolarHBondContact O-CA 3.34Å; S53-A73 PolarHBondContact O-N 2.85Å
54	Y	96	Very high	97	Very high	95 Å²	95	57.2 Å²	57.2	37%	0.373	32%	0.322	S	S	.	.			trans	-73.9	41	-175.3	-65.3	-50.4	0	0	0	114.2	I51 R112 T113 Y114	I51-Y54 WeakPolarHBondContact O-CB 3.45Å; I51-Y54 WeakPolarHBondContact O-CD2 2.98Å; I51-Y54 PolarHBondContact O-N 3.23Å; Y54-R112 CarbonylContact O-C 3.49Å; Y54-R112 WeakPolarHBondContact O-CA 3.38Å; Y54-T113 WeakPolarHBondContact CB-O 3.34Å; Y54-T113 WeakPolarHBondContact CD1-O 3.27Å; Y54-T113 PolarHBondContact O-N 3.41Å; Y54-Y114 WeakPolarHBondContact CD1-O 3.39Å; Y54-Y114 HydrophobicContact CD2-CD1 4.3Å; Y54-Y114 WeakPolarHBondContact CE1-O 3.17Å
55	L	97.5	Very high	97	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134.8	173.7	-162.1	103	0	0	0	110.7	L26 V47 I51 S53 W57 S72 A73 F93 Q111	L26-L55 HydrophobicContact CD2-CD1 4.09Å; V47-L55 HydrophobicContact CG2-CD1 4.34Å; I51-L55 HydrophobicContact CD1-CB 3.94Å; I51-L55 HydrophobicContact CD1-CD1 3.77Å; I51-L55 HydrophobicContact CD1-CG 4.48Å; S53-L55 PolarHBondContact O-N 3.18Å; L55-W57 HydrophobicContact CD2-CD2 4.25Å; L55-W57 HydrophobicContact CD2-CZ2 3.88Å; L55-S72 PolarHBondContact O-N 2.85Å; L55-A73 WeakPolarHBondContact O-CA 3.33Å; L55-A73 PolarHBondContact O-N 3.04Å; L55-F93 HydrophobicContact CB-CD1 3.77Å; L55-F93 HydrophobicContact CB-CD2 4.45Å; L55-F93 HydrophobicContact CB-CE1 3.81Å; L55-F93 HydrophobicContact CB-CG 4.11Å; L55-F93 HydrophobicContact CB-CZ 4.21Å; L55-F93 HydrophobicContact CD1-CD2 4.03Å; L55-F93 HydrophobicContact CD1-CE2 4.38Å; L55-F93 HydrophobicContact CD1-CG 4.23Å; L55-F93 HydrophobicContact CD2-CB 3.62Å; L55-F93 HydrophobicContact CD2-CD1 4Å; L55-F93 HydrophobicContact CD2-CD2 4.37Å; L55-F93 HydrophobicContact CD2-CG 3.74Å; L55-F93 HydrophobicContact CG-CD1 4.36Å; L55-F93 HydrophobicContact CG-CG 4.23Å; L55-Q111 CarbonylContact C-O 3.58Å; L55-Q111 WeakPolarHBondContact CA-O 3.45Å
56	N	98	Very high	96.9	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.011	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	151.2	168.8	-53.8	-34.1	0	0	0	110.3	Y58 L68 I70 Y71 S72 G110 Q111 T113	N56-Y58 HydrophobicContact CB-CD2 4.38Å; N56-Y58 HydrophobicContact CB-CE2 3.63Å; N56-L68 HydrophobicContact CB-CD1 3.91Å; N56-I70 CarbonylContact C-O 3.55Å; N56-I70 WeakPolarHBondContact CA-O 3.33Å; N56-I70 WeakPolarHBondContact CB-O 3.5Å; N56-Y71 VanDerWaalsContact OD1-CA 3.25Å; N56-Y71 WeakPolarHBondContact OD1-CA 3.35Å; N56-Y71 WeakPolarHBondContact OD1-CB 3.39Å; N56-S72 PolarHBondContact OD1-N 2.84Å; N56-G110 CarbonylContact O-C 3.56Å; N56-G110 WeakPolarHBondContact O-CA 3.5Å; N56-Q111 PolarHBondContact N-O 2.89Å; N56-Q111 PolarHBondContact O-N 2.82Å; N56-T113 PolarHBondContact ND2-OG1 3.33Å
57	W	98.4	Very high	96.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	131.8	172.2	-69	101.6	0	0	0	110.7	I43 C45 L55 L69 I70 F93 T94 L95 Y109	I43-W57 HydrophobicContact CG2-CH2 4.07Å; I43-W57 HydrophobicContact CG2-CZ3 4.01Å; C45-W57 HydrophobicContact CB-CH2 3.71Å; C45-W57 HydrophobicContact CB-CZ2 3.99Å; L55-W57 HydrophobicContact CD2-CD2 4.25Å; L55-W57 HydrophobicContact CD2-CZ2 3.88Å; W57-L69 WeakPolarHBondContact O-CB 3.25Å; W57-L69 PolarHBondContact O-N 3.36Å; W57-I70 HydrophobicContact CB-CB 4.2Å; W57-I70 PolarHBondContact N-O 2.87Å; W57-I70 PolarHBondContact O-N 3.47Å; W57-F93 HydrophobicContact CZ2-CB 4.4Å; W57-T94 PolarHBondContact NE1-O 3.32Å; W57-L95 HydrophobicContact CB-CD1 4.36Å; W57-L95 HydrophobicContact CB-CD2 4.4Å; W57-L95 HydrophobicContact CD2-CB 3.59Å; W57-L95 HydrophobicContact CD2-CD1 4.48Å; W57-L95 HydrophobicContact CD2-CD2 4.05Å; W57-L95 HydrophobicContact CD2-CG 4.26Å; W57-L95 HydrophobicContact CE3-CB 3.82Å; W57-L95 HydrophobicContact CE3-CD2 3.8Å; W57-L95 HydrophobicContact CE3-CG 4.4Å; W57-L95 HydrophobicContact CG-CB 4.12Å; W57-L95 HydrophobicContact CG-CD1 4.16Å; W57-L95 HydrophobicContact CG-CD2 4.32Å; W57-L95 HydrophobicContact CG-CG 4.45Å; W57-L95 HydrophobicContact CH2-CB 3.92Å; W57-L95 HydrophobicContact CZ2-CB 3.73Å; W57-L95 HydrophobicContact CZ3-CB 3.97Å; W57-L95 HydrophobicContact CZ3-CD2 4.34Å; W57-Y109 CarbonylContact C-O 3.51Å; W57-Y109 WeakPolarHBondContact CA-O 3.46Å
58	Y	98.3	Very high	97	Very high	37 Å²	37	63 Å²	63	15%	0.145	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	148.3	175.8	-64.6	-97.6	0	0	0	110.7	N56 P66 K67 L68 Y108 Y109 Q111	N56-Y58 HydrophobicContact CB-CD2 4.38Å; N56-Y58 HydrophobicContact CB-CE2 3.63Å; Y58-P66 HydrophobicContact CD1-CB 4.35Å; Y58-K67 CarbonylContact C-O 3.52Å; Y58-K67 VanDerWaalsContact CA-O 3.27Å; Y58-K67 WeakPolarHBondContact CA-O 3.35Å; Y58-L68 HydrophobicContact CD1-CB 4.25Å; Y58-L68 HydrophobicContact CD1-CD1 4.4Å; Y58-L68 HydrophobicContact CE1-CB 3.96Å; Y58-L68 HydrophobicContact CE1-CD1 3.88Å; Y58-L68 HydrophobicContact CE2-CD1 4.2Å; Y58-Y108 WeakPolarHBondContact O-CA 3.33Å; Y58-Y109 PolarHBondContact N-O 2.83Å; Y58-Y109 PolarHBondContact O-N 3.01Å; Y58-Q111 HydrophobicContact CD2-CB 4.18Å; Y58-Q111 HydrophobicContact CE2-CB 3.84Å; Y58-Q111 PolarHBondContact OH-OE1 3.37Å; Y58-Q111 VanDerWaalsContact OH-OE1 3.12Å
59	R	98.2	Very high	97.1	Very high	41 Å²	41	60 Å²	60	16%	0.155	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.8	171	-177.8	176.6	65.2	175.1	-5	110.2	K67 L69 E103 D104 A106 Y108	R59-K67 PolarHBondContact N-O 3.01Å; R59-K67 PolarHBondContact O-N 2.68Å; R59-L69 HydrophobicContact CB-CD1 3.63Å; R59-L69 HydrophobicContact CB-CD2 4.11Å; R59-L69 HydrophobicContact CB-CG 3.78Å; R59-E103 PolarHBondContact NH1-O 3.05Å; R59-D104 IonicContact NH1-OD1 3.18Å; R59-D104 PolarHBondContact NH1-OD1 3.35Å; R59-A106 HydrophobicContact CG-CB 3.34Å; R59-Y108 HydrophobicContact CB-CD1 4.14Å; R59-Y108 HydrophobicContact CB-CE1 3.9Å; R59-Y108 WeakPolarHBondContact CD-OH 3.22Å; R59-Y108 HydrophobicContact CG-CD1 4.29Å; R59-Y108 HydrophobicContact CG-CE1 3.75Å
60	Q	98.4	Very high	97.3	Very high	55 Å²	55	55.5 Å²	55.5	26%	0.257	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.5	175.7	-168.1	177.9	13.4	0	0	110.8	K64 P66 A106 T107 Y109	Q60-K64 VanDerWaalsContact CG-O 3.23Å; Q60-K64 WeakPolarHBondContact CG-O 3.44Å; Q60-K64 PolarHBondContact NE2-O 3.38Å; Q60-P66 HydrophobicContact CB-CB 4.46Å; Q60-P66 HydrophobicContact CB-CG 4.35Å; Q60-P66 HydrophobicContact CG-CG 4.19Å; Q60-A106 WeakPolarHBondContact O-CA 3.2Å; Q60-A106 VanDerWaalsContact O-CB 3.32Å; Q60-A106 WeakPolarHBondContact O-CB 3.16Å; Q60-T107 PolarHBondContact N-O 2.88Å; Q60-T107 PolarHBondContact O-N 3.02Å; Q60-Y109 HydrophobicContact CB-CD2 4.44Å; Q60-Y109 HydrophobicContact CB-CE2 3.8Å; Q60-Y109 PolarHBondContact OE1-OH 3.48Å
61	K	97.6	Very high	97.5	Very high	78 Å²	78	56.5 Å²	56.5	34%	0.339	31%	0.309	S	S	.	.			trans	-82.9	154.6	170.6	-68.4	-170.7	174.9	-166.6	0	110.3	G63 K64 E103 A106	K61-G63 PolarHBondContact O-N 3.47Å; K61-K64 HydrophobicContact CB-CB 4.27Å; K61-K64 HydrophobicContact CB-CG 4.13Å; K61-K64 PolarHBondContact O-N 3.5Å; K61-E103 WeakPolarHBondContact CE-O 3.49Å; K61-E103 PolarHBondContact NZ-O 2.91Å; K61-A106 HydrophobicContact CG-CB 4.28Å
62	P	96.9	Very high	97.6	Very high	115 Å²	115	57.8 Å²	57.8	75%	0.747	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	127.7	175.7	-28.1	35.5	0	0	0	112.3	K64	P62-K64 PolarHBondContact O-N 3.1Å
63	G	97.2	Very high	97.6	Very high	86 Å²	86	54.5 Å²	54.5	89%	0.887	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	12.2	179.3	0	0	0	0	0	115.8	K61	K61-G63 PolarHBondContact O-N 3.47Å
64	K	97.7	Very high	97.7	Very high	140 Å²	140	55.7 Å²	55.7	61%	0.609	30%	0.304	S	S	*	.	S	Bend	trans	-115.9	158.6	177.4	-57.2	-59.9	178.6	-173.1	0	111.1	Q60 K61 P62	Q60-K64 VanDerWaalsContact CG-O 3.23Å; Q60-K64 WeakPolarHBondContact CG-O 3.44Å; Q60-K64 PolarHBondContact NE2-O 3.38Å; K61-K64 HydrophobicContact CB-CB 4.27Å; K61-K64 HydrophobicContact CB-CG 4.13Å; K61-K64 PolarHBondContact O-N 3.5Å; P62-K64 PolarHBondContact O-N 3.1Å
65	V	97.1	Very high	97.8	Very high	109 Å²	109	54.5 Å²	54.5	66%	0.661	30%	0.304	S	S	*	.			trans	-69.4	149.4	170.6	-62	0	0	0	0	110.6
66	P	97.4	Very high	97.9	Very high	65 Å²	65	57.6 Å²	57.6	42%	0.422	32%	0.32	S	S	.	.			trans	-57.3	139.3	171.5	-23.5	33.8	0	0	0	111.7	Y58 Q60	Y58-P66 HydrophobicContact CD1-CB 4.35Å; Q60-P66 HydrophobicContact CB-CB 4.46Å; Q60-P66 HydrophobicContact CB-CG 4.35Å; Q60-P66 HydrophobicContact CG-CG 4.19Å
67	K	97.9	Very high	97.9	Very high	140 Å²	140	61.3 Å²	61.3	61%	0.609	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.6	174.1	-67	-170.8	175.3	-169.5	0	110	Y58 R59 L69	Y58-K67 CarbonylContact C-O 3.52Å; Y58-K67 VanDerWaalsContact CA-O 3.27Å; Y58-K67 WeakPolarHBondContact CA-O 3.35Å; R59-K67 PolarHBondContact N-O 3.01Å; R59-K67 PolarHBondContact O-N 2.68Å; K67-L69 PolarHBondContact O-N 2.8Å
68	L	98.2	Very high	97.8	Very high	30 Å²	30	66.7 Å²	66.7	16%	0.157	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	132.7	174.4	-177	66.9	0	0	0	110.3	N56 Y58 I70 Q77 P117	N56-L68 HydrophobicContact CB-CD1 3.91Å; Y58-L68 HydrophobicContact CD1-CB 4.25Å; Y58-L68 HydrophobicContact CD1-CD1 4.4Å; Y58-L68 HydrophobicContact CE1-CB 3.96Å; Y58-L68 HydrophobicContact CE1-CD1 3.88Å; Y58-L68 HydrophobicContact CE2-CD1 4.2Å; L68-I70 WeakPolarHBondContact CD1-O 3.29Å; L68-Q77 HydrophobicContact CB-CG 4.47Å; L68-Q77 HydrophobicContact CD2-CB 4.17Å; L68-Q77 HydrophobicContact CD2-CG 4.11Å; L68-Q77 HydrophobicContact CG-CB 4.14Å; L68-Q77 HydrophobicContact CG-CG 4.34Å; L68-P117 HydrophobicContact CD1-CG 4.01Å; L68-P117 HydrophobicContact CD2-CB 4.42Å; L68-P117 HydrophobicContact CD2-CG 3.49Å; L68-P117 VanDerWaalsContact CD2-CG 3.49Å; L68-P117 HydrophobicContact CG-CG 4.4Å
69	L	98.3	Very high	97.8	Very high	2 Å²	2	68.6 Å²	68.6	1%	0.01	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-52.6	171.9	-70.7	-175.2	0	0	0	111.8	W57 R59 K67 Q77 V80 F84 Y108	W57-L69 WeakPolarHBondContact O-CB 3.25Å; W57-L69 PolarHBondContact O-N 3.36Å; R59-L69 HydrophobicContact CB-CD1 3.63Å; R59-L69 HydrophobicContact CB-CD2 4.11Å; R59-L69 HydrophobicContact CB-CG 3.78Å; K67-L69 PolarHBondContact O-N 2.8Å; L69-Q77 WeakPolarHBondContact O-CB 3.2Å; L69-Q77 PolarHBondContact O-N 2.91Å; L69-V80 HydrophobicContact CD2-CG1 3.92Å; L69-V80 HydrophobicContact CD2-CG2 4.02Å; L69-F84 HydrophobicContact CD1-CD1 3.78Å; L69-F84 HydrophobicContact CD1-CE1 3.74Å; L69-F84 HydrophobicContact CD1-CZ 4.45Å; L69-Y108 HydrophobicContact CD1-CD1 3.99Å; L69-Y108 HydrophobicContact CD1-CE1 3.64Å
70	I	98.5	Very high	97.8	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.5	-175.1	-70.8	155	0	0	0	108.2	N56 W57 L68 A73 N75 L76 S85 L95	N56-I70 CarbonylContact C-O 3.55Å; N56-I70 WeakPolarHBondContact CA-O 3.33Å; N56-I70 WeakPolarHBondContact CB-O 3.5Å; W57-I70 HydrophobicContact CB-CB 4.2Å; W57-I70 PolarHBondContact N-O 2.87Å; W57-I70 PolarHBondContact O-N 3.47Å; L68-I70 WeakPolarHBondContact CD1-O 3.29Å; I70-A73 WeakPolarHBondContact CG2-O 3.2Å; I70-N75 CarbonylContact C-O 3.13Å; I70-N75 WeakPolarHBondContact CA-O 3.48Å; I70-N75 WeakPolarHBondContact CG2-O 3.25Å; I70-L76 HydrophobicContact CD1-CD2 4.05Å; I70-L76 HydrophobicContact CG1-CD2 3.58Å; I70-L76 HydrophobicContact CG1-CG 4.3Å; I70-S85 VanDerWaalsContact CD1-C 3.47Å; I70-L95 HydrophobicContact CD1-CD1 3.56Å
71	Y	97.9	Very high	97.8	Very high	73 Å²	73	67.5 Å²	67.5	29%	0.286	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	161.8	170.8	67.6	-82.7	0	0	0	110.7	N56 A73 S74 N75 A116	N56-Y71 VanDerWaalsContact OD1-CA 3.25Å; N56-Y71 WeakPolarHBondContact OD1-CA 3.35Å; N56-Y71 WeakPolarHBondContact OD1-CB 3.39Å; Y71-A73 PolarHBondContact O-N 2.92Å; Y71-S74 PolarHBondContact O-N 2.81Å; Y71-N75 HydrophobicContact CD1-CB 3.92Å; Y71-N75 VanDerWaalsContact CD1-O 3.31Å; Y71-N75 WeakPolarHBondContact CD1-O 3.41Å; Y71-N75 HydrophobicContact CD2-CB 3.97Å; Y71-N75 HydrophobicContact CE1-CB 3.57Å; Y71-N75 HydrophobicContact CE2-CB 3.64Å; Y71-N75 WeakPolarHBondContact CE2-ND2 3.46Å; Y71-N75 HydrophobicContact CG-CB 4.1Å; Y71-N75 VanDerWaalsContact CZ-CB 3.42Å; Y71-N75 PolarHBondContact N-O 3.26Å; Y71-N75 WeakPolarHBondContact O-CB 3.32Å; Y71-N75 PolarHBondContact O-N 3.01Å; Y71-A116 HydrophobicContact CD2-CB 3.97Å
72	S	97	Very high	97.8	Very high	31 Å²	31	69.3 Å²	69.3	22%	0.217	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	43.5	179.4	-59.1	0	0	0	0	113.3	S53 L55 N56 S74	S53-S72 CarbonylContact O-C 3.57Å; S53-S72 WeakPolarHBondContact O-CA 3.34Å; L55-S72 PolarHBondContact O-N 2.85Å; N56-S72 PolarHBondContact OD1-N 2.84Å; S72-S74 PolarHBondContact O-N 2.86Å
73	A	97.6	Very high	97.9	Very high	2 Å²	2	65.8 Å²	65.8	2%	0.017	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-32.3	-177.5	0	0	0	0	0	117	S53 L55 I70 Y71 G86 S87 G88 F93	S53-A73 PolarHBondContact O-N 2.85Å; L55-A73 WeakPolarHBondContact O-CA 3.33Å; L55-A73 PolarHBondContact O-N 3.04Å; I70-A73 WeakPolarHBondContact CG2-O 3.2Å; Y71-A73 PolarHBondContact O-N 2.92Å; A73-G86 CarbonylContact O-C 3.59Å; A73-G86 WeakPolarHBondContact O-CA 3.3Å; A73-S87 PolarHBondContact O-N 3.08Å; A73-G88 WeakPolarHBondContact CB-O 3.47Å; A73-F93 HydrophobicContact CB-CD1 3.84Å; A73-F93 HydrophobicContact CB-CE1 3.87Å
74	S	98.2	Very high	98	Very high	68 Å²	68	61.8 Å²	61.8	48%	0.476	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-11.6	-171.7	59.4	0	0	0	0	115.9	Y71 S72 L76 G86	Y71-S74 PolarHBondContact O-N 2.81Å; S72-S74 PolarHBondContact O-N 2.86Å; S74-L76 PolarHBondContact O-N 2.9Å; S74-G86 WeakPolarHBondContact CB-O 3.32Å
75	N	97.9	Very high	98	Very high	70 Å²	70	57.8 Å²	57.8	37%	0.374	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.6	-177	-63.3	-25.6	0	0	0	110.6	I70 Y71	I70-N75 CarbonylContact C-O 3.13Å; I70-N75 WeakPolarHBondContact CA-O 3.48Å; I70-N75 WeakPolarHBondContact CG2-O 3.25Å; Y71-N75 HydrophobicContact CD1-CB 3.92Å; Y71-N75 VanDerWaalsContact CD1-O 3.31Å; Y71-N75 WeakPolarHBondContact CD1-O 3.41Å; Y71-N75 HydrophobicContact CD2-CB 3.97Å; Y71-N75 HydrophobicContact CE1-CB 3.57Å; Y71-N75 HydrophobicContact CE2-CB 3.64Å; Y71-N75 WeakPolarHBondContact CE2-ND2 3.46Å; Y71-N75 HydrophobicContact CG-CB 4.1Å; Y71-N75 VanDerWaalsContact CZ-CB 3.42Å; Y71-N75 PolarHBondContact N-O 3.26Å; Y71-N75 WeakPolarHBondContact O-CB 3.32Å; Y71-N75 PolarHBondContact O-N 3.01Å
76	L	98.4	Very high	98.1	Very high	66 Å²	66	53.1 Å²	53.1	35%	0.346	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	133.3	176	-75.1	164.7	0	0	0	110.8	I70 S74 V80 F84	I70-L76 HydrophobicContact CD1-CD2 4.05Å; I70-L76 HydrophobicContact CG1-CD2 3.58Å; I70-L76 HydrophobicContact CG1-CG 4.3Å; S74-L76 PolarHBondContact O-N 2.9Å; L76-V80 HydrophobicContact CD2-CB 4.19Å; L76-V80 HydrophobicContact CD2-CG1 3.7Å; L76-F84 HydrophobicContact CD2-CB 3.87Å; L76-F84 WeakPolarHBondContact CD2-O 3.47Å
77	Q	98.2	Very high	98.2	Very high	80 Å²	80	52.9 Å²	52.9	37%	0.374	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-66.7	146.5	169.3	176.6	60	-43.2	0	0	110.2	L68 L69 G79 V80	L68-Q77 HydrophobicContact CB-CG 4.47Å; L68-Q77 HydrophobicContact CD2-CB 4.17Å; L68-Q77 HydrophobicContact CD2-CG 4.11Å; L68-Q77 HydrophobicContact CG-CB 4.14Å; L68-Q77 HydrophobicContact CG-CG 4.34Å; L69-Q77 WeakPolarHBondContact O-CB 3.2Å; L69-Q77 PolarHBondContact O-N 2.91Å; Q77-G79 PolarHBondContact O-N 2.86Å; Q77-V80 HydrophobicContact CB-CG2 3.98Å; Q77-V80 VanDerWaalsContact O-CB 3.3Å; Q77-V80 WeakPolarHBondContact O-CB 3.35Å; Q77-V80 VanDerWaalsContact O-CG2 3.27Å; Q77-V80 WeakPolarHBondContact O-CG2 3.31Å; Q77-V80 PolarHBondContact O-N 2.83Å; Q77-V80 VanDerWaalsContact O-N 3.1Å
78	S	97.9	Very high	98.2	Very high	112 Å²	112	47.9 Å²	47.9	78%	0.783	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	133.9	179.6	-173.3	0	0	0	0	112	V80	S78-V80 VanDerWaalsContact C-N 3.32Å; S78-V80 PolarHBondContact O-N 3.32Å
79	G	97.7	Very high	98.1	Very high	77 Å²	77	50.5 Å²	50.5	79%	0.794	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-0.5	-178.4	0	0	0	0	0	115.3	Q77	Q77-G79 PolarHBondContact O-N 2.86Å
80	V	98.3	Very high	98.1	Very high	27 Å²	27	51.5 Å²	51.5	16%	0.164	34%	0.344	C	S	.	.			trans	-78.7	129.4	173.5	179	0	0	0	0	110	L69 L76 Q77 S78 F84	L69-V80 HydrophobicContact CD2-CG1 3.92Å; L69-V80 HydrophobicContact CD2-CG2 4.02Å; L76-V80 HydrophobicContact CD2-CB 4.19Å; L76-V80 HydrophobicContact CD2-CG1 3.7Å; Q77-V80 HydrophobicContact CB-CG2 3.98Å; Q77-V80 VanDerWaalsContact O-CB 3.3Å; Q77-V80 WeakPolarHBondContact O-CB 3.35Å; Q77-V80 VanDerWaalsContact O-CG2 3.27Å; Q77-V80 WeakPolarHBondContact O-CG2 3.31Å; Q77-V80 PolarHBondContact O-N 2.83Å; Q77-V80 VanDerWaalsContact O-N 3.1Å; S78-V80 VanDerWaalsContact C-N 3.32Å; S78-V80 PolarHBondContact O-N 3.32Å; V80-F84 HydrophobicContact CG1-CB 3.98Å; V80-F84 HydrophobicContact CG1-CD2 3.77Å; V80-F84 HydrophobicContact CG1-CG 4.03Å
81	P	98.3	Very high	98	Very high	47 Å²	47	54 Å²	54	31%	0.305	36%	0.36	S	S	.	.			trans	-58.4	142.7	178.2	-27.3	36.5	0	0	0	113.1	R83 F84	P81-R83 HydrophobicContact CB-CG 4.04Å; P81-R83 PolarHBondContact O-N 3.43Å; P81-F84 HydrophobicContact CB-CD2 4.35Å; P81-F84 WeakPolarHBondContact O-CD2 3.27Å; P81-F84 PolarHBondContact O-N 2.8Å; P81-F84 VanDerWaalsContact O-N 3.1Å
82	S	98.2	Very high	98	Very high	115 Å²	115	53.9 Å²	53.9	80%	0.804	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-7.5	-178	56.2	0	0	0	0	115.2	F84	S82-F84 PolarHBondContact O-N 2.85Å
83	R	98.5	Very high	98.1	Very high	42 Å²	42	52.5 Å²	52.5	16%	0.158	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.2	171.2	64.6	176.7	176.1	-98	4.9	113.1	P81 I97 S98 S99 E103 D104	P81-R83 HydrophobicContact CB-CG 4.04Å; P81-R83 PolarHBondContact O-N 3.43Å; R83-I97 HydrophobicContact CG-CG2 4.34Å; R83-I97 CarbonylContact O-C 3.57Å; R83-I97 WeakPolarHBondContact O-CA 3.18Å; R83-S98 WeakPolarHBondContact CA-OG 3.39Å; R83-S98 PolarHBondContact O-N 3.38Å; R83-S98 PolarHBondContact O-OG 2.82Å; R83-S99 WeakPolarHBondContact CD-O 3.23Å; R83-E103 IonicContact CZ-OE1 2.72Å; R83-E103 IonicContact NH1-OE1 3.42Å; R83-E103 PolarHBondContact NH1-OE1 3.21Å; R83-E103 IonicContact NH2-OE1 3.33Å; R83-E103 PolarHBondContact NH2-OE1 3.46Å; R83-D104 IonicContact CZ-OD1 2.73Å; R83-D104 IonicContact CZ-OD2 3.41Å; R83-D104 IonicContact NE-OD1 2.74Å; R83-D104 PolarHBondContact NE-OD1 3.21Å; R83-D104 IonicContact NE-OD2 3.39Å; R83-D104 PolarHBondContact NE-OD2 2.81Å; R83-D104 IonicContact NH2-OD1 3.46Å; R83-D104 PolarHBondContact NH2-OD1 2.81Å; R83-D104 IonicContact NH2-OD2 3.41Å; R83-D104 PolarHBondContact NH2-OD2 3.31Å
84	F	98.8	Very high	98.2	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	137.8	172.7	-68.1	-86.5	0	0	0	109.9	L69 L76 V80 P81 S82 L95 T96 I97 D104 Y108	L69-F84 HydrophobicContact CD1-CD1 3.78Å; L69-F84 HydrophobicContact CD1-CE1 3.74Å; L69-F84 HydrophobicContact CD1-CZ 4.45Å; L76-F84 HydrophobicContact CD2-CB 3.87Å; L76-F84 WeakPolarHBondContact CD2-O 3.47Å; V80-F84 HydrophobicContact CG1-CB 3.98Å; V80-F84 HydrophobicContact CG1-CD2 3.77Å; V80-F84 HydrophobicContact CG1-CG 4.03Å; P81-F84 HydrophobicContact CB-CD2 4.35Å; P81-F84 WeakPolarHBondContact O-CD2 3.27Å; P81-F84 PolarHBondContact O-N 2.8Å; P81-F84 VanDerWaalsContact O-N 3.1Å; S82-F84 PolarHBondContact O-N 2.85Å; F84-L95 HydrophobicContact CD1-CD1 4.38Å; F84-T96 CarbonylContact C-O 3.58Å; F84-T96 WeakPolarHBondContact CA-O 3.49Å; F84-I97 HydrophobicContact CD1-CD1 4.31Å; F84-I97 HydrophobicContact CD1-CG1 3.83Å; F84-I97 HydrophobicContact CE1-CD1 3.61Å; F84-I97 HydrophobicContact CE1-CG1 3.64Å; F84-I97 HydrophobicContact CE1-CG2 4.49Å; F84-I97 HydrophobicContact CZ-CD1 4.28Å; F84-I97 HydrophobicContact CZ-CG1 4.49Å; F84-D104 HydrophobicContact CZ-CB 4.35Å; F84-D104 VanDerWaalsContact CZ-OD1 3.27Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.11Å; F84-Y108 AromaticContact CE1-CE1 3.88Å; F84-Y108 HydrophobicContact CE1-CE1 3.88Å
85	S	98.7	Very high	98.2	Very high	56 Å²	56	50.9 Å²	50.9	39%	0.392	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	148.1	169.4	61.7	0	0	0	0	111.1	I70 T96	I70-S85 VanDerWaalsContact CD1-C 3.47Å; S85-T96 PolarHBondContact N-O 2.79Å; S85-T96 PolarHBondContact O-N 3.5Å
86	G	98.7	Very high	98.2	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.1	176.7	0	0	0	0	0	110.5	A73 S74 T94	A73-G86 CarbonylContact O-C 3.59Å; A73-G86 WeakPolarHBondContact O-CA 3.3Å; S74-G86 WeakPolarHBondContact CB-O 3.32Å; G86-T94 WeakPolarHBondContact CA-O 3.33Å
87	S	98.4	Very high	98.3	Very high	59 Å²	59	44.9 Å²	44.9	41%	0.413	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	167.7	173.3	70.5	0	0	0	0	111.4	A73 F93 T94	A73-S87 PolarHBondContact O-N 3.08Å; S87-F93 CarbonylContact O-C 3.59Å; S87-F93 WeakPolarHBondContact O-CA 3.46Å; S87-T94 PolarHBondContact N-O 2.89Å; S87-T94 PolarHBondContact O-N 3.24Å; S87-T94 PolarHBondContact OG-OG1 2.87Å
88	G	97.8	Very high	98.3	Very high	36 Å²	36	43.9 Å²	43.9	37%	0.371	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.9	166.9	176.1	0	0	0	0	0	113.6	A73 D92	A73-G88 WeakPolarHBondContact CB-O 3.47Å; G88-D92 VanDerWaalsContact CA-O 3.25Å; G88-D92 WeakPolarHBondContact CA-O 3.48Å
89	S	97.1	Very high	98.3	Very high	84 Å²	84	40.7 Å²	40.7	59%	0.587	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.3	161.6	177.4	65.6	0	0	0	0	109.3	S52 T91 D92	S52-S89 CarbonylContact O-C 3.14Å; S52-S89 WeakPolarHBondContact O-CA 3.49Å; S89-T91 PolarHBondContact O-N 2.85Å; S89-T91 VanDerWaalsContact O-N 3.08Å; S89-D92 PolarHBondContact N-O 2.85Å
90	G	97.2	Very high	98.4	Very high	23 Å²	23	38 Å²	38	24%	0.237	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	-103.4	-179.8	0	0	0	0	0	110.6	G50 I51 S52 F93	G50-G90 WeakPolarHBondContact CA-O 3.43Å; I51-G90 PolarHBondContact N-O 2.84Å; S52-G90 PolarHBondContact O-N 2.85Å; G90-F93 WeakPolarHBondContact O-CE2 3.39Å
91	T	97.7	Very high	98.4	Very high	54 Å²	54	39.6 Å²	39.6	33%	0.331	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-19.1	-171.8	49.5	0	0	0	0	114	R46 V47 S89	R46-T91 CarbonylContact C-O 3.58Å; R46-T91 VanDerWaalsContact CA-O 3.29Å; R46-T91 WeakPolarHBondContact CA-O 3.22Å; V47-T91 PolarHBondContact N-O 2.76Å; V47-T91 WeakPolarHBondContact O-CB 3.49Å; S89-T91 PolarHBondContact O-N 2.85Å; S89-T91 VanDerWaalsContact O-N 3.08Å
92	D	98.5	Very high	98.3	Very high	69 Å²	69	41.5 Å²	41.5	37%	0.369	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.9	-170.4	-63.2	-96.9	0	0	0	110.3	R46 G88 S89	R46-D92 IonicContact CZ-OD1 3.3Å; R46-D92 VanDerWaalsContact CZ-OD1 3.3Å; R46-D92 IonicContact NE-OD1 2.85Å; R46-D92 PolarHBondContact NE-OD1 2.81Å; R46-D92 IonicContact NH2-OD1 2.86Å; R46-D92 PolarHBondContact NH2-OD1 2.81Å; G88-D92 VanDerWaalsContact CA-O 3.25Å; G88-D92 WeakPolarHBondContact CA-O 3.48Å; S89-D92 PolarHBondContact N-O 2.85Å
93	F	98.7	Very high	98.3	Very high	2 Å²	2	40 Å²	40	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.2	-176.1	-58.3	-94.2	0	0	0	110.8	T44 C45 V47 I51 S52 L55 W57 A73 S87 G90	T44-F93 CarbonylContact C-O 3.58Å; T44-F93 WeakPolarHBondContact CA-O 3.41Å; C45-F93 HydrophobicContact CB-CB 4.35Å; C45-F93 PolarHBondContact N-O 2.98Å; C45-F93 PolarHBondContact O-N 2.96Å; V47-F93 HydrophobicContact CG2-CD2 4Å; V47-F93 HydrophobicContact CG2-CE2 3.84Å; I51-F93 HydrophobicContact CD1-CE2 3.75Å; I51-F93 HydrophobicContact CD1-CZ 3.78Å; I51-F93 HydrophobicContact CG1-CE1 4.43Å; I51-F93 HydrophobicContact CG1-CE2 3.6Å; I51-F93 HydrophobicContact CG1-CZ 3.36Å; S52-F93 WeakPolarHBondContact O-CZ 3.38Å; L55-F93 HydrophobicContact CB-CD1 3.77Å; L55-F93 HydrophobicContact CB-CD2 4.45Å; L55-F93 HydrophobicContact CB-CE1 3.81Å; L55-F93 HydrophobicContact CB-CG 4.11Å; L55-F93 HydrophobicContact CB-CZ 4.21Å; L55-F93 HydrophobicContact CD1-CD2 4.03Å; L55-F93 HydrophobicContact CD1-CE2 4.38Å; L55-F93 HydrophobicContact CD1-CG 4.23Å; L55-F93 HydrophobicContact CD2-CB 3.62Å; L55-F93 HydrophobicContact CD2-CD1 4Å; L55-F93 HydrophobicContact CD2-CD2 4.37Å; L55-F93 HydrophobicContact CD2-CG 3.74Å; L55-F93 HydrophobicContact CG-CD1 4.36Å; L55-F93 HydrophobicContact CG-CG 4.23Å; W57-F93 HydrophobicContact CZ2-CB 4.4Å; A73-F93 HydrophobicContact CB-CD1 3.84Å; A73-F93 HydrophobicContact CB-CE1 3.87Å; S87-F93 CarbonylContact O-C 3.59Å; S87-F93 WeakPolarHBondContact O-CA 3.46Å; G90-F93 WeakPolarHBondContact O-CE2 3.39Å
94	T	98.7	Very high	98.3	Very high	36 Å²	36	38.1 Å²	38.1	22%	0.221	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.7	174.3	70.2	0	0	0	0	111.7	I43 T44 W57 G86 S87	I43-T94 CarbonylContact O-C 3.49Å; I43-T94 VanDerWaalsContact O-CA 3.29Å; I43-T94 WeakPolarHBondContact O-CA 3.27Å; T44-T94 HydrophobicContact CG2-CG2 4.15Å; W57-T94 PolarHBondContact NE1-O 3.32Å; G86-T94 WeakPolarHBondContact CA-O 3.33Å; S87-T94 PolarHBondContact N-O 2.89Å; S87-T94 PolarHBondContact O-N 3.24Å; S87-T94 PolarHBondContact OG-OG1 2.87Å
95	L	98.8	Very high	98.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.9	163.2	174.2	65.4	0	0	0	107.5	T42 I43 W57 I70 F84 Y108	T42-L95 CarbonylContact C-O 3.6Å; T42-L95 WeakPolarHBondContact CA-O 3.4Å; I43-L95 HydrophobicContact CB-CB 4.45Å; I43-L95 HydrophobicContact CD1-CD2 4.43Å; I43-L95 PolarHBondContact N-O 2.98Å; I43-L95 PolarHBondContact O-N 2.84Å; W57-L95 HydrophobicContact CB-CD1 4.36Å; W57-L95 HydrophobicContact CB-CD2 4.4Å; W57-L95 HydrophobicContact CD2-CB 3.59Å; W57-L95 HydrophobicContact CD2-CD1 4.48Å; W57-L95 HydrophobicContact CD2-CD2 4.05Å; W57-L95 HydrophobicContact CD2-CG 4.26Å; W57-L95 HydrophobicContact CE3-CB 3.82Å; W57-L95 HydrophobicContact CE3-CD2 3.8Å; W57-L95 HydrophobicContact CE3-CG 4.4Å; W57-L95 HydrophobicContact CG-CB 4.12Å; W57-L95 HydrophobicContact CG-CD1 4.16Å; W57-L95 HydrophobicContact CG-CD2 4.32Å; W57-L95 HydrophobicContact CG-CG 4.45Å; W57-L95 HydrophobicContact CH2-CB 3.92Å; W57-L95 HydrophobicContact CZ2-CB 3.73Å; W57-L95 HydrophobicContact CZ3-CB 3.97Å; W57-L95 HydrophobicContact CZ3-CD2 4.34Å; I70-L95 HydrophobicContact CD1-CD1 3.56Å; F84-L95 HydrophobicContact CD1-CD1 4.38Å; L95-Y108 HydrophobicContact CD2-CD1 3.47Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.47Å; L95-Y108 HydrophobicContact CD2-CE1 4.08Å; L95-Y108 HydrophobicContact CD2-CG 4.11Å
96	T	98.8	Very high	98.2	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.043	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.8	175.7	-62.5	0	0	0	0	110	R40 V41 F84 S85	R40-T96 HydrophobicContact CG-CG2 4.18Å; V41-T96 CarbonylContact O-C 3.54Å; V41-T96 WeakPolarHBondContact O-CA 3.29Å; F84-T96 CarbonylContact C-O 3.58Å; F84-T96 WeakPolarHBondContact CA-O 3.49Å; S85-T96 PolarHBondContact N-O 2.79Å; S85-T96 PolarHBondContact O-N 3.5Å
97	I	98.7	Very high	98.2	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.2	164.1	-48.8	177.8	0	0	0	105.7	R40 V41 R83 F84 L100 D104 Y108	R40-I97 WeakPolarHBondContact CA-O 3.46Å; V41-I97 HydrophobicContact CB-CB 4.37Å; V41-I97 PolarHBondContact N-O 3.34Å; V41-I97 PolarHBondContact O-N 3.29Å; R83-I97 HydrophobicContact CG-CG2 4.34Å; R83-I97 CarbonylContact O-C 3.57Å; R83-I97 WeakPolarHBondContact O-CA 3.18Å; F84-I97 HydrophobicContact CD1-CD1 4.31Å; F84-I97 HydrophobicContact CD1-CG1 3.83Å; F84-I97 HydrophobicContact CE1-CD1 3.61Å; F84-I97 HydrophobicContact CE1-CG1 3.64Å; F84-I97 HydrophobicContact CE1-CG2 4.49Å; F84-I97 HydrophobicContact CZ-CD1 4.28Å; F84-I97 HydrophobicContact CZ-CG1 4.49Å; I97-L100 HydrophobicContact CD1-CD1 4.05Å; I97-L100 HydrophobicContact CG2-CD1 4.33Å; I97-D104 HydrophobicContact CD1-CB 4.39Å; I97-Y108 HydrophobicContact CD1-CE1 4.29Å; I97-Y108 HydrophobicContact CD1-CE2 4.41Å
98	S	98.7	Very high	98.2	Very high	59 Å²	59	43.1 Å²	43.1	41%	0.413	27%	0.271	S	S	.	.	S	Bend	trans	-72.9	-28.9	-170.7	60.6	0	0	0	0	113.8	R83	R83-S98 WeakPolarHBondContact CA-OG 3.39Å; R83-S98 PolarHBondContact O-N 3.38Å; R83-S98 PolarHBondContact O-OG 2.82Å
99	S	98.6	Very high	98.2	Very high	45 Å²	45	45.9 Å²	45.9	32%	0.315	27%	0.271	S	S	.	.	S	Bend	trans	-150.3	96.3	178.6	-172.4	0	0	0	0	108.7	R83 Q101	R83-S99 WeakPolarHBondContact CD-O 3.23Å; S99-Q101 PolarHBondContact O-N 3.42Å; S99-Q101 PolarHBondContact O-NE2 3.15Å
100	L	98.6	Very high	98.2	Very high	21 Å²	21	42.5 Å²	42.5	11%	0.11	25%	0.249	C	C	.	.			trans	-59.4	131.1	-173.9	-172.4	71.4	0	0	0	111.4	A35 V37 G38 D39 V41 I97 D104	A35-L100 HydrophobicContact CB-CD2 3.78Å; V37-L100 WeakPolarHBondContact CA-O 3.28Å; G38-L100 PolarHBondContact N-O 3.47Å; D39-L100 WeakPolarHBondContact O-CB 3.34Å; D39-L100 PolarHBondContact O-N 2.92Å; V41-L100 HydrophobicContact CG2-CB 4.45Å; V41-L100 HydrophobicContact CG2-CD1 4.25Å; V41-L100 HydrophobicContact CG2-CD2 4.17Å; I97-L100 HydrophobicContact CD1-CD1 4.05Å; I97-L100 HydrophobicContact CG2-CD1 4.33Å; L100-D104 HydrophobicContact CD1-CB 3.71Å
101	Q	98.5	Very high	98.2	Very high	59 Å²	59	45.6 Å²	45.6	28%	0.276	26%	0.258	S	S	.	.			trans	-113.9	158.1	175.4	-59.7	-57.6	-47.7	0	0	111.4	S99 E103 D104	S99-Q101 PolarHBondContact O-N 3.42Å; S99-Q101 PolarHBondContact O-NE2 3.15Å; Q101-E103 VanDerWaalsContact CB-CD 3.48Å; Q101-E103 HydrophobicContact CB-CG 4.49Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.48Å; Q101-E103 VanDerWaalsContact CB-OE2 3.29Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.19Å; Q101-E103 PolarHBondContact O-N 2.75Å; Q101-E103 VanDerWaalsContact O-N 3.13Å; Q101-D104 PolarHBondContact N-OD2 2.83Å; Q101-D104 VanDerWaalsContact O-CB 3.3Å; Q101-D104 WeakPolarHBondContact O-CB 3.25Å; Q101-D104 PolarHBondContact O-N 3.12Å
102	P	97.7	Very high	98	Very high	87 Å²	87	45.5 Å²	45.5	57%	0.565	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-53.5	-35.4	179.6	-27.8	35.9	0	0	0	113.9	V37 D104 V105	V37-P102 HydrophobicContact CG2-CG 4.03Å; P102-D104 PolarHBondContact O-N 2.72Å; P102-V105 PolarHBondContact O-N 2.9Å
103	E	97.5	Very high	97.6	Very high	84 Å²	84	43.8 Å²	43.8	39%	0.393	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-72.9	-6	179	70.4	-87.9	-163.5	0	0	114.8	R59 K61 R83 Q101	R59-E103 PolarHBondContact NH1-O 3.05Å; K61-E103 WeakPolarHBondContact CE-O 3.49Å; K61-E103 PolarHBondContact NZ-O 2.91Å; R83-E103 IonicContact CZ-OE1 2.72Å; R83-E103 IonicContact NH1-OE1 3.42Å; R83-E103 PolarHBondContact NH1-OE1 3.21Å; R83-E103 IonicContact NH2-OE1 3.33Å; R83-E103 PolarHBondContact NH2-OE1 3.46Å; Q101-E103 VanDerWaalsContact CB-CD 3.48Å; Q101-E103 HydrophobicContact CB-CG 4.49Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.48Å; Q101-E103 VanDerWaalsContact CB-OE2 3.29Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.19Å; Q101-E103 PolarHBondContact O-N 2.75Å; Q101-E103 VanDerWaalsContact O-N 3.13Å
104	D	98	Very high	96.7	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.011	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-90.6	-5.6	180	-59.8	-30	0	0	0	113.1	R59 R83 F84 I97 L100 Q101 P102 A106 Y108	R59-D104 IonicContact NH1-OD1 3.18Å; R59-D104 PolarHBondContact NH1-OD1 3.35Å; R83-D104 IonicContact CZ-OD1 2.73Å; R83-D104 IonicContact CZ-OD2 3.41Å; R83-D104 IonicContact NE-OD1 2.74Å; R83-D104 PolarHBondContact NE-OD1 3.21Å; R83-D104 IonicContact NE-OD2 3.39Å; R83-D104 PolarHBondContact NE-OD2 2.81Å; R83-D104 IonicContact NH2-OD1 3.46Å; R83-D104 PolarHBondContact NH2-OD1 2.81Å; R83-D104 IonicContact NH2-OD2 3.41Å; R83-D104 PolarHBondContact NH2-OD2 3.31Å; F84-D104 HydrophobicContact CZ-CB 4.35Å; F84-D104 VanDerWaalsContact CZ-OD1 3.27Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.11Å; I97-D104 HydrophobicContact CD1-CB 4.39Å; L100-D104 HydrophobicContact CD1-CB 3.71Å; Q101-D104 PolarHBondContact N-OD2 2.83Å; Q101-D104 VanDerWaalsContact O-CB 3.3Å; Q101-D104 WeakPolarHBondContact O-CB 3.25Å; Q101-D104 PolarHBondContact O-N 3.12Å; P102-D104 PolarHBondContact O-N 2.72Å; D104-A106 PolarHBondContact O-N 2.76Å; D104-Y108 WeakPolarHBondContact O-CE2 3.5Å; D104-Y108 PolarHBondContact O-OH 3Å
105	V	97.5	Very high	95.5	Very high	107 Å²	107	55.1 Å²	55.1	65%	0.648	29%	0.293	S	S	*	.			trans	-64.6	110.3	173.3	-178.2	0	0	0	0	109.4	P102	P102-V105 PolarHBondContact O-N 2.9Å
106	A	98.2	Very high	93.8	Very high	26 Å²	26	57.9 Å²	57.9	22%	0.215	32%	0.316	C	S	.	.	S	Bend	trans	-168.1	167.8	-172.5	0	0	0	0	0	110.9	R59 Q60 K61 D104 Y108	R59-A106 HydrophobicContact CG-CB 3.34Å; Q60-A106 WeakPolarHBondContact O-CA 3.2Å; Q60-A106 VanDerWaalsContact O-CB 3.32Å; Q60-A106 WeakPolarHBondContact O-CB 3.16Å; K61-A106 HydrophobicContact CG-CB 4.28Å; D104-A106 PolarHBondContact O-N 2.76Å; A106-Y108 HydrophobicContact CB-CE2 3.94Å; A106-Y108 WeakPolarHBondContact O-CD2 3.38Å; A106-Y108 WeakPolarHBondContact O-CE2 2.96Å
107	T	98.4	Very high	91.9	Very high	76 Å²	76	63.1 Å²	63.1	47%	0.466	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140	163.7	-47.5	0	0	0	0	109.5	Q60 Y109	Q60-T107 PolarHBondContact N-O 2.88Å; Q60-T107 PolarHBondContact O-N 3.02Å; T107-Y109 HydrophobicContact CG2-CE1 3.87Å; T107-Y109 HydrophobicContact CG2-CE2 3.71Å; T107-Y109 VanDerWaalsContact CG2-OH 3.25Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.47Å
108	Y	98.5	Very high	91.5	Very high	24 Å²	24	66.1 Å²	66.1	9%	0.094	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.6	-177	-68.2	-93.8	0	0	0	110.9	Q28 I43 Y58 R59 L69 F84 L95 I97 D104 A106	Q28-Y108 PolarHBondContact NE2-O 2.9Å; I43-Y108 HydrophobicContact CD1-CD2 3.88Å; I43-Y108 HydrophobicContact CD1-CG 3.84Å; Y58-Y108 WeakPolarHBondContact O-CA 3.33Å; R59-Y108 HydrophobicContact CB-CD1 4.14Å; R59-Y108 HydrophobicContact CB-CE1 3.9Å; R59-Y108 WeakPolarHBondContact CD-OH 3.22Å; R59-Y108 HydrophobicContact CG-CD1 4.29Å; R59-Y108 HydrophobicContact CG-CE1 3.75Å; L69-Y108 HydrophobicContact CD1-CD1 3.99Å; L69-Y108 HydrophobicContact CD1-CE1 3.64Å; F84-Y108 AromaticContact CE1-CE1 3.88Å; F84-Y108 HydrophobicContact CE1-CE1 3.88Å; L95-Y108 HydrophobicContact CD2-CD1 3.47Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.47Å; L95-Y108 HydrophobicContact CD2-CE1 4.08Å; L95-Y108 HydrophobicContact CD2-CG 4.11Å; I97-Y108 HydrophobicContact CD1-CE1 4.29Å; I97-Y108 HydrophobicContact CD1-CE2 4.41Å; D104-Y108 WeakPolarHBondContact O-CE2 3.5Å; D104-Y108 PolarHBondContact O-OH 3Å; A106-Y108 HydrophobicContact CB-CE2 3.94Å; A106-Y108 WeakPolarHBondContact O-CD2 3.38Å; A106-Y108 WeakPolarHBondContact O-CE2 2.96Å
109	Y	97.9	Very high	91.2	Very high	95 Å²	95	66.5 Å²	66.5	37%	0.373	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	131.2	-176	-55.6	-84.3	0	0	0	110.9	W57 Y58 Q60 T107	W57-Y109 CarbonylContact C-O 3.51Å; W57-Y109 WeakPolarHBondContact CA-O 3.46Å; Y58-Y109 PolarHBondContact N-O 2.83Å; Y58-Y109 PolarHBondContact O-N 3.01Å; Q60-Y109 HydrophobicContact CB-CD2 4.44Å; Q60-Y109 HydrophobicContact CB-CE2 3.8Å; Q60-Y109 PolarHBondContact OE1-OH 3.48Å; T107-Y109 HydrophobicContact CG2-CE1 3.87Å; T107-Y109 HydrophobicContact CG2-CE2 3.71Å; T107-Y109 VanDerWaalsContact CG2-OH 3.25Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.47Å
110	G	97.2	Very high	90.7	Very high	12 Å²	12	67.7 Å²	67.7	12%	0.124	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	133.9	163.5	0	0	0	0	0	109.6	L26 N56	L26-G110 WeakPolarHBondContact CD2-O 3.11Å; N56-G110 CarbonylContact O-C 3.56Å; N56-G110 WeakPolarHBondContact O-CA 3.5Å
111	Q	96.5	Very high	90.3	Very high	89 Å²	89	70.4 Å²	70.4	42%	0.416	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.9	178.5	-171.7	-166.4	30.6	0	0	109.9	L55 N56 Y58 T113	L55-Q111 CarbonylContact C-O 3.58Å; L55-Q111 WeakPolarHBondContact CA-O 3.45Å; N56-Q111 PolarHBondContact N-O 2.89Å; N56-Q111 PolarHBondContact O-N 2.82Å; Y58-Q111 HydrophobicContact CD2-CB 4.18Å; Y58-Q111 HydrophobicContact CE2-CB 3.84Å; Y58-Q111 PolarHBondContact OH-OE1 3.37Å; Y58-Q111 VanDerWaalsContact OH-OE1 3.12Å; Q111-T113 HydrophobicContact CG-CG2 4.09Å
112	R	94.2	Very high	89.8	Confident	52 Å²	52	71.1 Å²	71.1	20%	0.196	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.2	168.6	176.2	-171.9	168.7	114.5	-11.3	110.2	I24 L26 I51 Y54 Y114	I24-R112 VanDerWaalsContact CD1-NH1 3.29Å; L26-R112 HydrophobicContact CD1-CB 4.43Å; I51-R112 HydrophobicContact CB-CG 4.38Å; I51-R112 HydrophobicContact CD1-CB 4.09Å; I51-R112 HydrophobicContact CD1-CG 4.07Å; I51-R112 HydrophobicContact CG2-CG 4.46Å; Y54-R112 CarbonylContact O-C 3.49Å; Y54-R112 WeakPolarHBondContact O-CA 3.38Å; R112-Y114 PolarHBondContact NH2-OH 3.23Å
113	T	89.4	Confident	89.2	Confident	32 Å²	32	70.1 Å²	70.1	20%	0.196	38%	0.377	C	S	.	.			trans	-140.5	129.3	167.7	68.5	0	0	0	0	111.2	Y54 N56 Q111 N115	Y54-T113 WeakPolarHBondContact CB-O 3.34Å; Y54-T113 WeakPolarHBondContact CD1-O 3.27Å; Y54-T113 PolarHBondContact O-N 3.41Å; N56-T113 PolarHBondContact ND2-OG1 3.33Å; Q111-T113 HydrophobicContact CG-CG2 4.09Å; T113-N115 VanDerWaalsContact C-N 3.26Å; T113-N115 WeakPolarHBondContact CB-O 2.86Å; T113-N115 PolarHBondContact O-N 3.48Å; T113-N115 PolarHBondContact OG1-O 3.33Å
114	Y	80.4	Confident	88.7	Confident	144 Å²	144	69.1 Å²	69.1	57%	0.565	38%	0.376	S	S	*	.	S	Bend	trans	-67.2	-27	179.4	-65	-79.5	0	0	0	113.7	Y54 R112	Y54-Y114 WeakPolarHBondContact CD1-O 3.39Å; Y54-Y114 HydrophobicContact CD2-CD1 4.3Å; Y54-Y114 WeakPolarHBondContact CE1-O 3.17Å; R112-Y114 PolarHBondContact NH2-OH 3.23Å
115	N	73.7	Confident	87.9	Confident	132 Å²	132	74.2 Å²	74.2	71%	0.706	40%	0.404	S	S	*	.	S	Bend	trans	-107.8	144.6	174.5	-62.8	-32.9	0	0	0	108.9	T113	T113-N115 VanDerWaalsContact C-N 3.26Å; T113-N115 WeakPolarHBondContact CB-O 2.86Å; T113-N115 PolarHBondContact O-N 3.48Å; T113-N115 PolarHBondContact OG1-O 3.33Å
116	A	63.1	Low	87.1	Confident	59 Å²	59	71.5 Å²	71.5	49%	0.488	38%	0.383	S	S	.	.			trans	-60	134.7	164.4	0	0	0	0	0	108.2	Y71	Y71-A116 HydrophobicContact CD2-CB 3.97Å
117	P	58.3	Low	86.1	Confident	117 Å²	117	75.6 Å²	75.6	76%	0.76	40%	0.398	S	S	*	.			trans	-67.4	0	-178.2	29.1	-35.7	0	0	0	113.3	L68	L68-P117 HydrophobicContact CD1-CG 4.01Å; L68-P117 HydrophobicContact CD2-CB 4.42Å; L68-P117 HydrophobicContact CD2-CG 3.49Å; L68-P117 VanDerWaalsContact CD2-CG 3.49Å; L68-P117 HydrophobicContact CG-CG 4.4Å

Retrieved 117 of 117 residues in 76.7 ms (Link to these results)

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