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Immunoglobulin kappa variable 1D-17

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

AlphaFold DB , UniProt , Accession A0A075B6S4, Species HUMAN (Homo sapiens, Human), Gene IGKV1D-17, Length 117 aa.

						>KVD17_HUMAN|A0A075B6S4|IGKV1D-17
MDMRVPAQLLGLLLLWFPGARCNIQMTQSPSAMSASVGDRVTITCRARQGISNYLAWFQQKPGKVPKHLIYAASSLQSGVPSRFSGSGSGTEFTLTISSLQPEDFATYYCLQHNSYP
					

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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	43	Very low	56.3	Low	239 Å²	239	137.6 Å²	137.6	100%	1.177	73%	0.729	S	S	*	*				0	103	0	-87	168.2	156.2	0	0	107.1	M3	M1-M3 PolarHBondContact O-N 3.43Å; M1-M3 VanDerWaalsContact O-N 3.12Å
2	D	47.3	Very low	56.7	Low	168 Å²	168	135.4 Å²	135.4	90%	0.898	72%	0.717	S	S	*	*			trans	-72.3	99	175.7	-78.4	-47.4	0	0	0	109.5	R4	D2-R4 PolarHBondContact O-N 3.12Å; D2-R4 VanDerWaalsContact O-N 3.15Å
3	M	59.2	Low	57.1	Low	178 Å²	178	133.2 Å²	133.2	88%	0.877	70%	0.704	S	S	*	*			trans	-86.4	81.1	179.3	-154.7	170	-172.4	0	0	108.8	M1 V5	M1-M3 PolarHBondContact O-N 3.43Å; M1-M3 VanDerWaalsContact O-N 3.12Å; M3-V5 PolarHBondContact O-N 3.15Å; M3-V5 VanDerWaalsContact O-N 3.12Å
4	R	58.1	Low	57.4	Low	235 Å²	235	132.5 Å²	132.5	89%	0.887	70%	0.701	S	S	*	*			trans	-70.1	102.9	168.6	-83.4	-177.3	177.5	159.1	0.5	108.8	D2 P6	D2-R4 PolarHBondContact O-N 3.12Å; D2-R4 VanDerWaalsContact O-N 3.15Å; R4-P6 WeakPolarHBondContact O-CD 3.46Å
5	V	59.8	Low	57.9	Low	100 Å²	100	133.1 Å²	133.1	61%	0.606	70%	0.703	S	S	*	*			trans	-72	122.8	170.2	-178.2	0	0	0	0	108.2	M3 A7 L9	M3-V5 PolarHBondContact O-N 3.15Å; M3-V5 VanDerWaalsContact O-N 3.12Å; V5-A7 PolarHBondContact O-N 3.12Å; V5-L9 HydrophobicContact CG1-CB 4.38Å
6	P	51.2	Low	58.2	Low	77 Å²	77	137.3 Å²	137.3	50%	0.5	71%	0.707	S	S	.	*			trans	-63.8	132.3	179.9	-19	30.1	0	0	0	111.1	R4 Q8 L9	R4-P6 WeakPolarHBondContact O-CD 3.46Å; P6-Q8 PolarHBondContact O-N 3.4Å; P6-L9 HydrophobicContact CG-CD1 4.38Å; P6-L9 PolarHBondContact O-N 3.2Å
7	A	65.2	Low	58.4	Low	86 Å²	86	138.4 Å²	138.4	71%	0.711	71%	0.705	S	S	*	*	H	α-helix	trans	-54.9	-21.2	-178.8	0	0	0	0	0	114.2	V5 L9 L10 G11	V5-A7 PolarHBondContact O-N 3.12Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 2.94Å; A7-L10 WeakPolarHBondContact O-CB 3.33Å; A7-L10 PolarHBondContact O-N 3.39Å; A7-G11 PolarHBondContact O-N 3.41Å
8	Q	59.9	Low	58.5	Low	166 Å²	166	137.5 Å²	137.5	78%	0.776	71%	0.71	S	S	*	*	H	α-helix	trans	-66.3	-32.8	176.7	-59.8	-162.4	-87.4	0	0	113.3	P6 L10 G11 L12	P6-Q8 PolarHBondContact O-N 3.4Å; Q8-L10 VanDerWaalsContact C-N 3.27Å; Q8-L10 PolarHBondContact O-N 3.35Å; Q8-G11 PolarHBondContact O-N 3Å; Q8-L12 PolarHBondContact O-N 3.46Å
9	L	57.5	Low	58.6	Low	107 Å²	107	133.7 Å²	133.7	56%	0.56	71%	0.708	S	S	*	*	H	α-helix	trans	-66.6	-31.7	173.7	-93.7	137.3	0	0	0	111.7	V5 P6 A7 L12 L13	V5-L9 HydrophobicContact CG1-CB 4.38Å; P6-L9 HydrophobicContact CG-CD1 4.38Å; P6-L9 PolarHBondContact O-N 3.2Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 3.49Å; L9-L13 PolarHBondContact O-N 3.47Å
10	L	57.9	Low	58.9	Low	118 Å²	118	131.8 Å²	131.8	62%	0.618	71%	0.712	S	S	*	*	H	α-helix	trans	-67.1	-38.8	177.9	-144.3	81.6	0	0	0	111.6	A7 Q8 L13 L14	A7-L10 WeakPolarHBondContact O-CB 3.33Å; A7-L10 PolarHBondContact O-N 3.39Å; Q8-L10 VanDerWaalsContact C-N 3.27Å; Q8-L10 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-L14 PolarHBondContact O-N 3.47Å
11	G	60.5	Low	59	Low	40 Å²	40	136.4 Å²	136.4	41%	0.412	72%	0.719	S	S	.	*	H	α-helix	trans	-67.7	-35.9	177.2	0	0	0	0	0	113.8	A7 Q8	A7-G11 PolarHBondContact O-N 3.41Å; Q8-G11 PolarHBondContact O-N 3Å
12	L	60.9	Low	60.1	Low	111 Å²	111	130.6 Å²	130.6	58%	0.581	70%	0.701	S	S	*	*	H	α-helix	trans	-68.6	-34.7	174.5	-87.7	147.8	0	0	0	112.6	Q8 L9 L14 L15	Q8-L12 PolarHBondContact O-N 3.46Å; L9-L12 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.46Å
13	L	62.2	Low	61.7	Low	106 Å²	106	126.7 Å²	126.7	56%	0.555	68%	0.68	S	S	*	*	H	α-helix	trans	-68.1	-31.9	-180	-156.2	79	0	0	0	112.7	L9 L10 L15 W16	L9-L13 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.48Å; L13-L15 PolarHBondContact O-N 3.19Å; L13-W16 HydrophobicContact CD1-CE3 4.4Å; L13-W16 PolarHBondContact O-N 3.36Å
14	L	60.6	Low	63.2	Low	124 Å²	124	118.8 Å²	118.8	65%	0.649	64%	0.641	S	S	*	*	H	α-helix	trans	-69.1	-21.5	177.2	-68.8	172.2	0	0	0	113.3	L10 L12 W16 F17	L10-L14 PolarHBondContact O-N 3.47Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.29Å; L14-W16 VanDerWaalsContact C-N 3.26Å; L14-W16 PolarHBondContact O-N 3.18Å; L14-F17 HydrophobicContact CD2-CE2 4.24Å
15	L	65.1	Low	64.9	Low	142 Å²	142	113.1 Å²	113.1	74%	0.743	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-2.7	175.2	-67.5	166.3	0	0	0	112.9	L12 L13	L12-L15 PolarHBondContact O-N 3.46Å; L13-L15 PolarHBondContact O-N 3.19Å
16	W	62.1	Low	66.6	Low	199 Å²	199	110.5 Å²	110.5	75%	0.754	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	29.7	179.4	-78	4.7	0	0	0	113.8	L13 L14 P18	L13-W16 HydrophobicContact CD1-CE3 4.4Å; L13-W16 PolarHBondContact O-N 3.36Å; L14-W16 VanDerWaalsContact C-N 3.26Å; L14-W16 PolarHBondContact O-N 3.18Å; W16-P18 WeakPolarHBondContact O-CD 3.28Å
17	F	62.1	Low	68.8	Low	157 Å²	157	110.2 Å²	110.2	69%	0.689	60%	0.603	S	S	*	*	S	Bend	trans	-95.6	100.3	160	-66.8	-70.9	0	0	0	108.1	L14 G19	L14-F17 HydrophobicContact CD2-CE2 4.24Å; F17-G19 PolarHBondContact O-N 3.37Å; F17-G19 VanDerWaalsContact O-N 3.1Å
18	P	60.2	Low	70.4	Confident	122 Å²	122	109.5 Å²	109.5	79%	0.792	59%	0.585	S	S	*	*			trans	-50.1	123.3	168.8	-21.9	31.4	0	0	0	108	W16 A20	W16-P18 WeakPolarHBondContact O-CD 3.28Å; P18-A20 PolarHBondContact O-N 3.21Å
19	G	60.8	Low	72.2	Confident	65 Å²	65	104.8 Å²	104.8	67%	0.67	57%	0.571	S	S	*	*			trans	-45.4	125.1	-170.7	0	0	0	0	0	111.8	F17 R21	F17-G19 PolarHBondContact O-N 3.37Å; F17-G19 VanDerWaalsContact O-N 3.1Å; G19-R21 PolarHBondContact O-N 2.97Å
20	A	63.8	Low	74.2	Confident	95 Å²	95	102.3 Å²	102.3	79%	0.785	56%	0.561	S	S	*	*			trans	-52.7	110.9	172.5	0	0	0	0	0	108.2	P18 C22	P18-A20 PolarHBondContact O-N 3.21Å; A20-C22 PolarHBondContact O-N 3.27Å; A20-C22 VanDerWaalsContact O-N 3.07Å
21	R	62	Low	76	Confident	229 Å²	229	102.7 Å²	102.7	86%	0.864	57%	0.574	S	S	*	*			trans	-75.5	98.2	172.4	-66.8	-171.6	-179.5	-167.2	1.2	106.5	G19	G19-R21 PolarHBondContact O-N 2.97Å
22	C	66	Low	77.7	Confident	118 Å²	118	104.7 Å²	104.7	80%	0.797	59%	0.586	S	S	*	*			trans	-62.9	147.2	170.9	-70.2	0	0	0	0	110	A20	A20-C22 PolarHBondContact O-N 3.27Å; A20-C22 VanDerWaalsContact O-N 3.07Å
23	N	81	Confident	79.3	Confident	86 Å²	86	103.5 Å²	103.5	46%	0.46	58%	0.579	S	S	.	*			trans	-52.2	156.7	171.7	-164.6	-23.7	0	0	0	111	Q25 Q112 P117	N23-Q25 PolarHBondContact O-N 2.94Å; N23-Q25 VanDerWaalsContact O-N 3.08Å; N23-Q112 PolarHBondContact OD1-NE2 3.12Å; N23-P117 HydrophobicContact CB-CG 4.07Å
24	I	90.1	Very high	81	Confident	11 Å²	11	104.5 Å²	104.5	6%	0.056	60%	0.595	C	S	.	*			trans	-59.2	114.9	171.5	-59.9	-177.5	0	0	0	108.9	M26 A47 Q49 I51 Q112 N114	I24-M26 HydrophobicContact CG2-SD 4.06Å; I24-A47 HydrophobicContact CG2-CB 4.24Å; I24-Q49 HydrophobicContact CD1-CG 3.83Å; I24-Q49 HydrophobicContact CG1-CG 3.94Å; I24-Q49 HydrophobicContact CG2-CG 3.94Å; I24-I51 HydrophobicContact CD1-CG2 3.64Å; I24-I51 HydrophobicContact CG2-CG2 4.07Å; I24-Q112 HydrophobicContact CB-CG 3.89Å; I24-Q112 HydrophobicContact CG2-CG 4.05Å; I24-N114 HydrophobicContact CD1-CB 4.4Å
25	Q	93.2	Very high	82.7	Confident	116 Å²	116	100 Å²	100	54%	0.542	58%	0.575	S	S	.	*			trans	-72.8	132.5	178.4	-174.9	179.2	-17.1	0	0	110.6	N23 R48	N23-Q25 PolarHBondContact O-N 2.94Å; N23-Q25 VanDerWaalsContact O-N 3.08Å; Q25-R48 HydrophobicContact CB-CB 4.25Å; Q25-R48 PolarHBondContact O-N 3.2Å
26	M	96.1	Very high	84.3	Confident	45 Å²	45	97 Å²	97	22%	0.222	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.9	139.7	175.9	-53.5	-58.3	-65.3	0	0	109.8	I24 C45 R46 A47 I51 L55 Q112	I24-M26 HydrophobicContact CG2-SD 4.06Å; M26-C45 WeakPolarHBondContact CE-SG 3.19Å; M26-R46 CarbonylContact C-O 3.57Å; M26-R46 WeakPolarHBondContact CA-O 3.29Å; M26-A47 HydrophobicContact CE-CB 3.78Å; M26-A47 HydrophobicContact SD-CB 3.6Å; M26-A47 VanDerWaalsContact SD-CB 3.6Å; M26-I51 HydrophobicContact CE-CD1 4.09Å; M26-L55 HydrophobicContact CE-CD1 3.6Å; M26-Q112 HydrophobicContact CE-CB 4.25Å; M26-Q112 HydrophobicContact CG-CG 4.26Å; M26-Q112 HydrophobicContact SD-CB 3.75Å; M26-Q112 HydrophobicContact SD-CG 3.75Å
27	T	97.9	Very high	86	Confident	71 Å²	71	91.5 Å²	91.5	44%	0.436	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127	131.1	175.6	54.4	0	0	0	0	110.1	C45 R46	T27-C45 CarbonylContact O-C 3.56Å; T27-C45 WeakPolarHBondContact O-CA 3.48Å; T27-R46 PolarHBondContact N-O 3.1Å; T27-R46 PolarHBondContact O-N 2.75Å; T27-R46 PolarHBondContact OG1-O 3.31Å
28	Q	98.3	Very high	87.8	Confident	71 Å²	71	86 Å²	86	33%	0.332	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148.2	179.9	-73.8	176.7	-140.6	0	0	111.8	T44 C45 Y108 C110	Q28-T44 VanDerWaalsContact CA-O 3.24Å; Q28-T44 WeakPolarHBondContact CA-O 3.4Å; Q28-C45 HydrophobicContact CG-CB 4.16Å; Q28-Y108 PolarHBondContact NE2-O 2.86Å; Q28-C110 WeakPolarHBondContact CG-SG 3.25Å; Q28-C110 PolarHBondContact OE1-SG 3.33Å
29	S	98.5	Very high	89.6	Confident	67 Å²	67	83.6 Å²	83.6	47%	0.469	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	142.5	174.5	-172	0	0	0	0	112.3	T44	S29-T44 PolarHBondContact N-O 2.8Å; S29-T44 PolarHBondContact O-N 3.01Å; S29-T44 PolarHBondContact O-OG1 3.01Å
30	P	98.1	Very high	91.4	Very high	55 Å²	55	88.3 Å²	88.3	36%	0.357	52%	0.52	S	S	.	.			cis	-73.4	163.4	-12.3	33.6	-35.4	0	0	0	111.3	M33	P30-M33 VanDerWaalsContact CD-CE 3.4Å; P30-M33 HydrophobicContact CG-CB 4.08Å; P30-M33 HydrophobicContact CG-CE 3.26Å
31	S	95.5	Very high	93	Very high	127 Å²	127	84.3 Å²	84.3	89%	0.888	49%	0.486	S	S	*	.	S	Bend	trans	-73.6	-28.4	177.3	54	0	0	0	0	113.2
32	A	96.7	Very high	94.8	Very high	81 Å²	81	76 Å²	76	67%	0.669	46%	0.461	S	S	*	.	S	Bend	trans	-149.3	150.3	174.6	0	0	0	0	0	109.2
33	M	95.7	Very high	96.3	Very high	86 Å²	86	71 Å²	71	42%	0.424	43%	0.426	S	S	.	.			trans	-152.9	161.2	176.8	61.1	171.1	72.1	0	0	110.2	P30 V41 I43	P30-M33 VanDerWaalsContact CD-CE 3.4Å; P30-M33 HydrophobicContact CG-CB 4.08Å; P30-M33 HydrophobicContact CG-CE 3.26Å; M33-V41 HydrophobicContact CE-CG1 4.03Å; M33-V41 HydrophobicContact SD-CB 4.42Å; M33-V41 HydrophobicContact SD-CG1 3.4Å; M33-V41 WeakPolarHBondContact SD-CG1 3.39Å; M33-V41 HydrophobicContact SD-CG2 4.28Å; M33-I43 HydrophobicContact CE-CG1 3.74Å
34	S	97	Very high	97.2	Very high	128 Å²	128	70 Å²	70	90%	0.895	42%	0.422	S	S	*	.			trans	-123.5	138.4	168.4	-58.1	0	0	0	0	108.4
35	A	96.9	Very high	97.6	Very high	29 Å²	29	69.5 Å²	69.5	24%	0.24	42%	0.42	C	S	.	.			trans	-149	153.7	-178.7	0	0	0	0	0	109.2	D39 V41 L100	A35-D39 HydrophobicContact CB-CB 4.2Å; A35-V41 HydrophobicContact CB-CG2 3.76Å; A35-L100 HydrophobicContact CB-CD2 3.78Å
36	S	98.3	Very high	97.8	Very high	79 Å²	79	70.3 Å²	70.3	55%	0.552	42%	0.418	S	S	*	.			trans	-90	156	178	-57.5	0	0	0	0	111	G38 D39	S36-G38 PolarHBondContact O-N 2.66Å; S36-D39 WeakPolarHBondContact CB-OD2 3.39Å; S36-D39 PolarHBondContact N-OD2 3.24Å; S36-D39 WeakPolarHBondContact O-CB 3.5Å; S36-D39 PolarHBondContact O-N 2.94Å
37	V	98.4	Very high	97.9	Very high	84 Å²	84	68.2 Å²	68.2	51%	0.509	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	133.1	171.1	174.2	0	0	0	0	109.1	L100 P102 F105	V37-L100 WeakPolarHBondContact CA-O 3.24Å; V37-L100 WeakPolarHBondContact CG1-O 3.49Å; V37-P102 HydrophobicContact CG2-CG 4.05Å; V37-F105 HydrophobicContact CG2-CE2 4.45Å
38	G	98.5	Very high	97.8	Very high	40 Å²	40	74.4 Å²	74.4	41%	0.412	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-19.1	-174.5	0	0	0	0	0	114.4	S36 L100	S36-G38 PolarHBondContact O-N 2.66Å; G38-L100 PolarHBondContact N-O 3.33Å
39	D	98.5	Very high	97.6	Very high	72 Å²	72	76 Å²	76	39%	0.385	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-65.4	150.7	179.4	-71.2	-10.4	0	0	0	111.6	A35 S36 L100	A35-D39 HydrophobicContact CB-CB 4.2Å; S36-D39 WeakPolarHBondContact CB-OD2 3.39Å; S36-D39 PolarHBondContact N-OD2 3.24Å; S36-D39 WeakPolarHBondContact O-CB 3.5Å; S36-D39 PolarHBondContact O-N 2.94Å; D39-L100 WeakPolarHBondContact O-CB 3.46Å; D39-L100 PolarHBondContact O-N 2.85Å
40	R	98.7	Very high	97.6	Very high	164 Å²	164	74.9 Å²	74.9	62%	0.619	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-83.8	120	166.8	177.8	-176.2	160.9	101.4	9.9	109.2	T96 I97	R40-T96 HydrophobicContact CG-CG2 4.34Å; R40-T96 PolarHBondContact NH2-OG1 3.05Å; R40-I97 CarbonylContact C-O 3.55Å; R40-I97 VanDerWaalsContact CA-O 3.31Å; R40-I97 WeakPolarHBondContact CA-O 3.37Å
41	V	98.5	Very high	97.5	Very high	12 Å²	12	72.3 Å²	72.3	7%	0.073	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	141.4	175.5	169	0	0	0	0	110.2	M33 A35 I43 T96 I97 L100	M33-V41 HydrophobicContact CE-CG1 4.03Å; M33-V41 HydrophobicContact SD-CB 4.42Å; M33-V41 HydrophobicContact SD-CG1 3.4Å; M33-V41 WeakPolarHBondContact SD-CG1 3.39Å; M33-V41 HydrophobicContact SD-CG2 4.28Å; A35-V41 HydrophobicContact CB-CG2 3.76Å; V41-I43 HydrophobicContact CG1-CG1 4.3Å; V41-T96 WeakPolarHBondContact O-CA 3.3Å; V41-I97 HydrophobicContact CB-CB 4.19Å; V41-I97 HydrophobicContact CB-CD1 4.34Å; V41-I97 HydrophobicContact CB-CG1 4.37Å; V41-I97 HydrophobicContact CG1-CD1 4.34Å; V41-I97 PolarHBondContact N-O 2.9Å; V41-I97 PolarHBondContact O-N 2.93Å; V41-L100 HydrophobicContact CG2-CB 4.48Å; V41-L100 HydrophobicContact CG2-CD1 4.17Å; V41-L100 HydrophobicContact CG2-CD2 4.18Å
42	T	98.6	Very high	97.6	Very high	55 Å²	55	69.5 Å²	69.5	34%	0.337	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.1	176	-60.5	0	0	0	0	110	T94 L95	T42-T94 HydrophobicContact CG2-CG2 3.33Å; T42-L95 CarbonylContact C-O 3.56Å; T42-L95 WeakPolarHBondContact CA-O 3.26Å
43	I	98.7	Very high	97.7	Very high	13 Å²	13	68.7 Å²	68.7	7%	0.067	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.2	177.5	-58.4	165.7	0	0	0	107.2	M33 V41 W57 T94 L95 Y108	M33-I43 HydrophobicContact CE-CG1 3.74Å; V41-I43 HydrophobicContact CG1-CG1 4.3Å; I43-W57 HydrophobicContact CB-CH2 4.41Å; I43-W57 HydrophobicContact CG2-CH2 3.97Å; I43-W57 HydrophobicContact CG2-CZ3 4.03Å; I43-T94 CarbonylContact O-C 3.55Å; I43-T94 WeakPolarHBondContact O-CA 3.38Å; I43-L95 HydrophobicContact CB-CB 4.42Å; I43-L95 HydrophobicContact CD1-CD2 4.31Å; I43-L95 PolarHBondContact N-O 2.8Å; I43-L95 PolarHBondContact O-N 2.79Å; I43-Y108 HydrophobicContact CD1-CD2 3.85Å; I43-Y108 HydrophobicContact CD1-CG 3.96Å
44	T	98.8	Very high	97.8	Very high	63 Å²	63	69.6 Å²	69.6	39%	0.387	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	150.5	176.3	61.6	0	0	0	0	110.7	Q28 S29 F93	Q28-T44 VanDerWaalsContact CA-O 3.24Å; Q28-T44 WeakPolarHBondContact CA-O 3.4Å; S29-T44 PolarHBondContact N-O 2.8Å; S29-T44 PolarHBondContact O-N 3.01Å; S29-T44 PolarHBondContact O-OG1 3.01Å; T44-F93 CarbonylContact C-O 3.55Å; T44-F93 WeakPolarHBondContact CA-O 3.31Å
45	C	98.6	Very high	97.9	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.007	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	130.3	172.8	175.4	0	0	0	0	109.2	M26 T27 Q28 W57 F93 C110	M26-C45 WeakPolarHBondContact CE-SG 3.19Å; T27-C45 CarbonylContact O-C 3.56Å; T27-C45 WeakPolarHBondContact O-CA 3.48Å; Q28-C45 HydrophobicContact CG-CB 4.16Å; C45-W57 HydrophobicContact CB-CH2 3.51Å; C45-W57 HydrophobicContact CB-CZ2 3.66Å; C45-W57 HydrophobicContact CB-CZ3 4.44Å; C45-F93 HydrophobicContact CB-CB 4.38Å; C45-F93 PolarHBondContact N-O 2.89Å; C45-F93 PolarHBondContact O-N 2.81Å; C45-C110 HydrophobicContact CB-CB 3.49Å; C45-C110 VanDerWaalsContact CB-CB 3.49Å; C45-C110 WeakPolarHBondContact CB-SG 3.23Å; C45-C110 WeakPolarHBondContact SG-CB 3.47Å; C45-C110 CovalentContact SG-SG 2.01Å; C45-C110 PolarHBondContact SG-SG 2.8Å
46	R	98.5	Very high	97.9	Very high	133 Å²	133	62.4 Å²	62.4	50%	0.502	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.8	-179.7	-177.3	175.9	175.2	131.3	-6.7	110.6	M26 T27 T91 E92	M26-R46 CarbonylContact C-O 3.57Å; M26-R46 WeakPolarHBondContact CA-O 3.29Å; T27-R46 PolarHBondContact N-O 3.1Å; T27-R46 PolarHBondContact O-N 2.75Å; T27-R46 PolarHBondContact OG1-O 3.31Å; R46-T91 CarbonylContact C-O 3.56Å; R46-T91 VanDerWaalsContact CA-O 3.23Å; R46-T91 WeakPolarHBondContact CA-O 3.35Å; R46-T91 WeakPolarHBondContact CG-O 3.21Å; R46-E92 HydrophobicContact CG-CG 4.34Å; R46-E92 IonicContact CZ-OE1 3.74Å; R46-E92 IonicContact NH1-OE1 2.73Å; R46-E92 PolarHBondContact NH1-OE1 3.46Å
47	A	97.4	Very high	98	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	142.5	170.7	0	0	0	0	0	109.9	I24 M26 Q49 I51 T91	I24-A47 HydrophobicContact CG2-CB 4.24Å; M26-A47 HydrophobicContact CE-CB 3.78Å; M26-A47 HydrophobicContact SD-CB 3.6Å; M26-A47 VanDerWaalsContact SD-CB 3.6Å; A47-Q49 VanDerWaalsContact CB-O 3.27Å; A47-Q49 WeakPolarHBondContact CB-O 3.45Å; A47-Q49 PolarHBondContact O-N 3.07Å; A47-I51 HydrophobicContact CB-CD1 4Å; A47-I51 HydrophobicContact CB-CG1 4.11Å; A47-I51 HydrophobicContact CB-CG2 4.14Å; A47-T91 PolarHBondContact N-O 3.08Å
48	R	95.6	Very high	98	Very high	202 Å²	202	57 Å²	57	76%	0.762	29%	0.285	S	S	*	.	S	Bend	trans	-64.6	-24.5	177.1	-172.9	175.8	177.9	-146.8	-0.9	113.3	Q25	Q25-R48 HydrophobicContact CB-CB 4.25Å; Q25-R48 PolarHBondContact O-N 3.2Å
49	Q	95	Very high	98	Very high	104 Å²	104	56.1 Å²	56.1	49%	0.486	27%	0.27	S	S	.	.	S	Bend	trans	-140.1	165.3	179.2	65	-171.4	68.6	0	0	110	I24 A47 I51	I24-Q49 HydrophobicContact CD1-CG 3.83Å; I24-Q49 HydrophobicContact CG1-CG 3.94Å; I24-Q49 HydrophobicContact CG2-CG 3.94Å; A47-Q49 VanDerWaalsContact CB-O 3.27Å; A47-Q49 WeakPolarHBondContact CB-O 3.45Å; A47-Q49 PolarHBondContact O-N 3.07Å; Q49-I51 PolarHBondContact O-N 2.94Å
50	G	96.9	Very high	98	Very high	44 Å²	44	55.3 Å²	55.3	45%	0.454	26%	0.264	S	S	.	.			trans	-62.7	130.4	-178.8	0	0	0	0	0	112.6	G90 N114	G50-G90 CarbonylContact C-O 3.59Å; G50-G90 WeakPolarHBondContact CA-O 3.39Å; G50-N114 PolarHBondContact O-ND2 2.81Å
51	I	97.3	Very high	97.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	S	.	.			trans	-124.7	20.9	177.9	63.6	168.6	0	0	0	112.6	I24 M26 A47 Q49 N53 Y54 L55 G90 F93 Q112 N114	I24-I51 HydrophobicContact CD1-CG2 3.64Å; I24-I51 HydrophobicContact CG2-CG2 4.07Å; M26-I51 HydrophobicContact CE-CD1 4.09Å; A47-I51 HydrophobicContact CB-CD1 4Å; A47-I51 HydrophobicContact CB-CG1 4.11Å; A47-I51 HydrophobicContact CB-CG2 4.14Å; Q49-I51 PolarHBondContact O-N 2.94Å; I51-N53 PolarHBondContact O-N 2.9Å; I51-Y54 VanDerWaalsContact O-CB 3.32Å; I51-Y54 WeakPolarHBondContact O-CB 3.36Å; I51-Y54 VanDerWaalsContact O-CD2 3.24Å; I51-Y54 WeakPolarHBondContact O-CD2 3.49Å; I51-Y54 PolarHBondContact O-N 3.02Å; I51-L55 HydrophobicContact CD1-CB 4.31Å; I51-L55 HydrophobicContact CD1-CD1 3.91Å; I51-G90 WeakPolarHBondContact CG1-O 3.26Å; I51-G90 PolarHBondContact N-O 2.82Å; I51-F93 HydrophobicContact CD1-CD2 4.45Å; I51-F93 HydrophobicContact CD1-CE2 3.56Å; I51-F93 HydrophobicContact CD1-CZ 3.79Å; I51-F93 HydrophobicContact CG1-CE2 3.59Å; I51-F93 HydrophobicContact CG1-CZ 3.57Å; I51-Q112 HydrophobicContact CD1-CB 3.49Å; I51-Q112 VanDerWaalsContact CD1-CB 3.49Å; I51-Q112 HydrophobicContact CG2-CB 4.21Å; I51-N114 HydrophobicContact CB-CB 3.69Å; I51-N114 HydrophobicContact CG2-CB 3.78Å
52	S	97.9	Very high	97.9	Very high	68 Å²	68	56 Å²	56	48%	0.476	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	-122.4	-175.4	-171.8	0	0	0	0	111.1	S89 G90 F93	S52-S89 CarbonylContact O-C 3.16Å; S52-S89 WeakPolarHBondContact O-CA 3.49Å; S52-G90 PolarHBondContact O-N 3.24Å; S52-F93 WeakPolarHBondContact O-CZ 3.2Å
53	N	98.2	Very high	97.8	Very high	64 Å²	64	57.6 Å²	57.6	34%	0.342	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	16.5	170.4	66.8	-25.4	0	0	0	112.6	I51 L55 A72 A73	I51-N53 PolarHBondContact O-N 2.9Å; N53-L55 PolarHBondContact O-N 3.35Å; N53-A72 CarbonylContact O-C 3.49Å; N53-A72 WeakPolarHBondContact O-CA 3.22Å; N53-A73 HydrophobicContact CB-CB 4.22Å; N53-A73 PolarHBondContact O-N 3.32Å
54	Y	97.7	Very high	97.8	Very high	106 Å²	106	63.6 Å²	63.6	42%	0.416	34%	0.336	S	S	.	.			trans	-76.4	56.4	-179.5	-59.8	-67.6	0	0	0	112.2	I51 Q112 H113 N114	I51-Y54 VanDerWaalsContact O-CB 3.32Å; I51-Y54 WeakPolarHBondContact O-CB 3.36Å; I51-Y54 VanDerWaalsContact O-CD2 3.24Å; I51-Y54 WeakPolarHBondContact O-CD2 3.49Å; I51-Y54 PolarHBondContact O-N 3.02Å; Y54-Q112 CarbonylContact O-C 3.6Å; Y54-Q112 VanDerWaalsContact O-CA 3.26Å; Y54-Q112 WeakPolarHBondContact O-CA 3.22Å; Y54-H113 WeakPolarHBondContact CA-CE1 3.42Å; Y54-H113 AromaticContact CD1-CD2 3.64Å; Y54-H113 AromaticContact CD1-NE2 3.51Å; Y54-H113 PolarHBondContact O-N 2.85Å; Y54-H113 PolarHBondContact O-ND1 2.9Å; Y54-N114 HydrophobicContact CD2-CB 3.87Å; Y54-N114 VanDerWaalsContact CD2-OD1 3.22Å; Y54-N114 WeakPolarHBondContact CD2-OD1 3.36Å; Y54-N114 HydrophobicContact CG-CB 4.2Å
55	L	98.3	Very high	97.7	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.6	175.2	-169.5	99.6	0	0	0	109.8	M26 I51 N53 W57 A72 A73 F93 C110 L111 H113	M26-L55 HydrophobicContact CE-CD1 3.6Å; I51-L55 HydrophobicContact CD1-CB 4.31Å; I51-L55 HydrophobicContact CD1-CD1 3.91Å; N53-L55 PolarHBondContact O-N 3.35Å; L55-W57 HydrophobicContact CD2-CZ2 4.32Å; L55-W57 VanDerWaalsContact CD2-NE1 3.3Å; L55-A72 PolarHBondContact O-N 2.86Å; L55-A73 HydrophobicContact CB-CB 4.29Å; L55-A73 PolarHBondContact O-N 2.75Å; L55-F93 HydrophobicContact CB-CD1 3.95Å; L55-F93 HydrophobicContact CB-CE1 3.91Å; L55-F93 HydrophobicContact CB-CG 4.29Å; L55-F93 HydrophobicContact CB-CZ 4.25Å; L55-F93 HydrophobicContact CD1-CB 4.4Å; L55-F93 HydrophobicContact CD1-CD1 4.46Å; L55-F93 HydrophobicContact CD1-CD2 3.79Å; L55-F93 HydrophobicContact CD1-CE2 4.18Å; L55-F93 HydrophobicContact CD1-CG 3.96Å; L55-F93 HydrophobicContact CD2-CB 3.52Å; L55-F93 HydrophobicContact CD2-CD1 3.71Å; L55-F93 HydrophobicContact CD2-CD2 4.28Å; L55-F93 HydrophobicContact CD2-CG 3.57Å; L55-F93 HydrophobicContact CG-CB 4.5Å; L55-F93 HydrophobicContact CG-CD1 4.25Å; L55-F93 HydrophobicContact CG-CD2 4.43Å; L55-F93 HydrophobicContact CG-CG 4.13Å; L55-C110 HydrophobicContact CD1-CB 4.1Å; L55-C110 HydrophobicContact CG-CB 4.5Å; L55-L111 WeakPolarHBondContact CA-O 3.22Å; L55-H113 PolarHBondContact N-CE1 3.31Å
56	A	98.6	Very high	97.7	Very high	5 Å²	5	69.2 Å²	69.2	4%	0.041	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	144.6	167.9	0	0	0	0	0	110.8	F58 I70 C110 L111	A56-F58 HydrophobicContact CB-CD2 4.41Å; A56-F58 HydrophobicContact CB-CE2 3.63Å; A56-F58 HydrophobicContact CB-CZ 4.18Å; A56-I70 CarbonylContact C-O 3.55Å; A56-I70 WeakPolarHBondContact CA-O 3.38Å; A56-C110 CarbonylContact O-C 3.55Å; A56-C110 WeakPolarHBondContact O-CA 3.34Å; A56-L111 PolarHBondContact N-O 2.95Å; A56-L111 PolarHBondContact O-N 3.27Å
57	W	98.8	Very high	97.7	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139	170.3	-71.1	99.5	0	0	0	110.4	I43 C45 L55 L69 I70 L95 Y109 C110	I43-W57 HydrophobicContact CB-CH2 4.41Å; I43-W57 HydrophobicContact CG2-CH2 3.97Å; I43-W57 HydrophobicContact CG2-CZ3 4.03Å; C45-W57 HydrophobicContact CB-CH2 3.51Å; C45-W57 HydrophobicContact CB-CZ2 3.66Å; C45-W57 HydrophobicContact CB-CZ3 4.44Å; L55-W57 HydrophobicContact CD2-CZ2 4.32Å; L55-W57 VanDerWaalsContact CD2-NE1 3.3Å; W57-L69 HydrophobicContact CB-CB 4.38Å; W57-L69 HydrophobicContact CB-CD2 4.47Å; W57-L69 WeakPolarHBondContact O-CB 3.48Å; W57-L69 PolarHBondContact O-N 2.89Å; W57-I70 HydrophobicContact CB-CB 4.08Å; W57-I70 HydrophobicContact CB-CG1 4.41Å; W57-I70 HydrophobicContact CG-CB 4.48Å; W57-I70 PolarHBondContact N-O 2.86Å; W57-I70 PolarHBondContact O-N 2.81Å; W57-L95 HydrophobicContact CD2-CB 3.69Å; W57-L95 HydrophobicContact CD2-CD2 4.09Å; W57-L95 HydrophobicContact CD2-CG 4.35Å; W57-L95 HydrophobicContact CE3-CB 3.91Å; W57-L95 HydrophobicContact CE3-CD2 3.8Å; W57-L95 HydrophobicContact CE3-CG 4.46Å; W57-L95 HydrophobicContact CG-CB 4.28Å; W57-L95 HydrophobicContact CG-CD1 4.4Å; W57-L95 HydrophobicContact CG-CD2 4.47Å; W57-L95 HydrophobicContact CH2-CB 3.86Å; W57-L95 HydrophobicContact CZ2-CB 3.66Å; W57-L95 HydrophobicContact CZ3-CB 3.99Å; W57-L95 HydrophobicContact CZ3-CD2 4.24Å; W57-Y109 CarbonylContact C-O 3.59Å; W57-Y109 WeakPolarHBondContact CA-O 3.39Å; W57-C110 HydrophobicContact CD2-CB 4.12Å; W57-C110 HydrophobicContact CE3-CB 3.83Å; W57-C110 HydrophobicContact CH2-CB 3.88Å; W57-C110 HydrophobicContact CZ2-CB 4.13Å; W57-C110 HydrophobicContact CZ3-CB 3.71Å
58	F	98.7	Very high	97.7	Very high	50 Å²	50	72.7 Å²	72.7	22%	0.219	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.4	176.8	-65.1	-96.2	0	0	0	110.6	A56 P66 K67 H68 Y108 Y109 L111	A56-F58 HydrophobicContact CB-CD2 4.41Å; A56-F58 HydrophobicContact CB-CE2 3.63Å; A56-F58 HydrophobicContact CB-CZ 4.18Å; F58-P66 HydrophobicContact CB-CB 4.3Å; F58-P66 HydrophobicContact CD1-CB 4.39Å; F58-K67 CarbonylContact C-O 3.57Å; F58-K67 WeakPolarHBondContact CA-O 3.29Å; F58-H68 HydrophobicContact CD1-CB 4.23Å; F58-H68 HydrophobicContact CE1-CB 3.9Å; F58-Y108 VanDerWaalsContact O-CA 3.3Å; F58-Y108 WeakPolarHBondContact O-CA 3.24Å; F58-Y109 PolarHBondContact N-O 3.43Å; F58-Y109 PolarHBondContact O-N 3.26Å; F58-L111 HydrophobicContact CD2-CB 4.38Å; F58-L111 HydrophobicContact CE2-CB 4.05Å
59	Q	98.6	Very high	97.9	Very high	21 Å²	21	63.4 Å²	63.4	10%	0.098	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.4	172.2	-176.9	-168.6	60.5	0	0	109.2	K67 A106 Y108	Q59-K67 PolarHBondContact N-O 2.88Å; Q59-K67 PolarHBondContact O-N 2.9Å; Q59-A106 HydrophobicContact CG-CB 3.47Å; Q59-A106 VanDerWaalsContact CG-CB 3.47Å; Q59-Y108 HydrophobicContact CB-CD1 4.1Å; Q59-Y108 HydrophobicContact CB-CE1 3.84Å; Q59-Y108 HydrophobicContact CG-CD1 4.25Å; Q59-Y108 HydrophobicContact CG-CE1 3.67Å; Q59-Y108 PolarHBondContact NE2-OH 3.27Å
60	Q	98.5	Very high	98.1	Very high	55 Å²	55	58.4 Å²	58.4	26%	0.257	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.7	174.9	-169.3	176.5	15.2	0	0	111	K64 P66 A106 T107 Y109	Q60-K64 VanDerWaalsContact CG-O 3.29Å; Q60-K64 WeakPolarHBondContact CG-O 3.42Å; Q60-K64 PolarHBondContact NE2-O 3.15Å; Q60-P66 HydrophobicContact CB-CB 4.41Å; Q60-P66 HydrophobicContact CB-CG 4.31Å; Q60-P66 HydrophobicContact CG-CG 4.15Å; Q60-A106 WeakPolarHBondContact O-CB 3.3Å; Q60-T107 PolarHBondContact N-O 2.8Å; Q60-T107 PolarHBondContact O-N 3.28Å; Q60-Y109 HydrophobicContact CB-CD2 4.39Å; Q60-Y109 HydrophobicContact CB-CE2 3.78Å; Q60-Y109 VanDerWaalsContact OE1-CE2 3.27Å; Q60-Y109 PolarHBondContact OE1-OH 3.04Å
61	K	97.6	Very high	98.1	Very high	75 Å²	75	61.4 Å²	61.4	33%	0.326	33%	0.33	S	S	.	.			trans	-79.6	152	171.8	-63.4	-175.1	179.4	-166.4	0	110.4	G63 K64 E103 A106	K61-G63 PolarHBondContact O-N 3.47Å; K61-K64 HydrophobicContact CB-CB 4.21Å; K61-K64 HydrophobicContact CB-CG 4.04Å; K61-K64 PolarHBondContact O-N 2.91Å; K61-E103 WeakPolarHBondContact CE-O 3.33Å; K61-E103 PolarHBondContact NZ-O 3.47Å; K61-A106 HydrophobicContact CG-CB 4.2Å
62	P	96.9	Very high	98.2	Very high	117 Å²	117	62.5 Å²	62.5	76%	0.76	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	128.7	176.8	-28	35.4	0	0	0	112.3	K64	P62-K64 PolarHBondContact O-N 2.73Å
63	G	97.6	Very high	98.2	Very high	87 Å²	87	59.3 Å²	59.3	90%	0.897	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	11.2	180	0	0	0	0	0	115.5	K61	K61-G63 PolarHBondContact O-N 3.47Å
64	K	98	Very high	98.2	Very high	140 Å²	140	59.7 Å²	59.7	61%	0.609	33%	0.325	S	S	*	.	S	Bend	trans	-114.1	161	176.2	-56.4	-57.2	-178.7	-171.4	0	111.2	Q60 K61 P62	Q60-K64 VanDerWaalsContact CG-O 3.29Å; Q60-K64 WeakPolarHBondContact CG-O 3.42Å; Q60-K64 PolarHBondContact NE2-O 3.15Å; K61-K64 HydrophobicContact CB-CB 4.21Å; K61-K64 HydrophobicContact CB-CG 4.04Å; K61-K64 PolarHBondContact O-N 2.91Å; P62-K64 PolarHBondContact O-N 2.73Å
65	V	97.8	Very high	98.3	Very high	113 Å²	113	56.7 Å²	56.7	69%	0.685	32%	0.32	S	S	*	.			trans	-72.8	149.8	171.1	-61.4	0	0	0	0	110.7
66	P	98	Very high	98.3	Very high	68 Å²	68	59.6 Å²	59.6	44%	0.442	34%	0.335	S	S	.	.			trans	-58.6	136.2	173	-23.2	33.5	0	0	0	112	F58 Q60	F58-P66 HydrophobicContact CB-CB 4.3Å; F58-P66 HydrophobicContact CD1-CB 4.39Å; Q60-P66 HydrophobicContact CB-CB 4.41Å; Q60-P66 HydrophobicContact CB-CG 4.31Å; Q60-P66 HydrophobicContact CG-CG 4.15Å
67	K	98.2	Very high	98.3	Very high	144 Å²	144	62.5 Å²	62.5	63%	0.626	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.5	174.1	-68	-170.4	-178.9	-169.7	0	110.5	F58 Q59 L69	F58-K67 CarbonylContact C-O 3.57Å; F58-K67 WeakPolarHBondContact CA-O 3.29Å; Q59-K67 PolarHBondContact N-O 2.88Å; Q59-K67 PolarHBondContact O-N 2.9Å; K67-L69 PolarHBondContact O-N 2.83Å
68	H	98.2	Very high	98.3	Very high	64 Å²	64	67.9 Å²	67.9	30%	0.296	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.3	176.6	-168.8	-171.7	0	0	0	110.2	F58 I70 Q77	F58-H68 HydrophobicContact CD1-CB 4.23Å; F58-H68 HydrophobicContact CE1-CB 3.9Å; H68-I70 PolarHBondContact NE2-O 2.92Å; H68-Q77 PolarHBondContact ND1-NE2 2.82Å
69	L	98.5	Very high	98.2	Very high	6 Å²	6	69.4 Å²	69.4	3%	0.031	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	-52.7	-174.2	-169.8	76.5	0	0	0	111.6	W57 K67 Q77 V80 F84 L95 Y108	W57-L69 HydrophobicContact CB-CB 4.38Å; W57-L69 HydrophobicContact CB-CD2 4.47Å; W57-L69 WeakPolarHBondContact O-CB 3.48Å; W57-L69 PolarHBondContact O-N 2.89Å; K67-L69 PolarHBondContact O-N 2.83Å; L69-Q77 PolarHBondContact O-N 2.83Å; L69-V80 HydrophobicContact CD1-CB 4.39Å; L69-V80 HydrophobicContact CD1-CG1 3.44Å; L69-V80 VanDerWaalsContact CD1-CG1 3.44Å; L69-V80 HydrophobicContact CD1-CG2 3.99Å; L69-V80 HydrophobicContact CG-CG1 4.04Å; L69-F84 HydrophobicContact CD1-CD1 4.09Å; L69-F84 HydrophobicContact CD1-CD2 4.2Å; L69-F84 HydrophobicContact CD1-CE1 4.23Å; L69-F84 HydrophobicContact CD1-CE2 4.37Å; L69-F84 HydrophobicContact CD1-CG 4.05Å; L69-F84 HydrophobicContact CD1-CZ 4.36Å; L69-F84 HydrophobicContact CD2-CD1 3.67Å; L69-F84 HydrophobicContact CD2-CE1 4.07Å; L69-F84 HydrophobicContact CD2-CG 4.23Å; L69-F84 HydrophobicContact CG-CD1 4.31Å; L69-F84 HydrophobicContact CG-CG 4.42Å; L69-L95 HydrophobicContact CD2-CD1 3.77Å; L69-L95 HydrophobicContact CD2-CD2 4.12Å; L69-Y108 HydrophobicContact CD2-CD1 4.31Å; L69-Y108 HydrophobicContact CD2-CE1 4.11Å
70	I	98.9	Very high	98.2	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.9	-176.1	-54.3	-172	0	0	0	108.5	A56 W57 H68 S75 L76 S85 G86 L95	A56-I70 CarbonylContact C-O 3.55Å; A56-I70 WeakPolarHBondContact CA-O 3.38Å; W57-I70 HydrophobicContact CB-CB 4.08Å; W57-I70 HydrophobicContact CB-CG1 4.41Å; W57-I70 HydrophobicContact CG-CB 4.48Å; W57-I70 PolarHBondContact N-O 2.86Å; W57-I70 PolarHBondContact O-N 2.81Å; H68-I70 PolarHBondContact NE2-O 2.92Å; I70-S75 CarbonylContact C-O 3.55Å; I70-S75 VanDerWaalsContact CA-O 3.25Å; I70-S75 WeakPolarHBondContact CA-O 3.23Å; I70-S75 VanDerWaalsContact CG2-O 3.32Å; I70-S75 WeakPolarHBondContact CG2-O 3.39Å; I70-L76 HydrophobicContact CD1-CD2 4.07Å; I70-L76 HydrophobicContact CG1-CD2 3.89Å; I70-S85 VanDerWaalsContact CD1-C 3.42Å; I70-G86 VanDerWaalsContact CD1-N 3.27Å; I70-L95 HydrophobicContact CD1-CD1 3.62Å
71	Y	98.5	Very high	98.2	Very high	106 Å²	106	69.5 Å²	69.5	42%	0.416	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	164.7	172	68.4	-86.8	0	0	0	110.9	A73 S74 S75 L76	Y71-A73 PolarHBondContact O-N 2.76Å; Y71-A73 VanDerWaalsContact O-N 3.12Å; Y71-S74 PolarHBondContact O-N 2.73Å; Y71-S75 VanDerWaalsContact CD1-O 3.23Å; Y71-S75 WeakPolarHBondContact CD1-O 3.27Å; Y71-S75 VanDerWaalsContact CE2-CB 3.46Å; Y71-S75 PolarHBondContact N-O 2.82Å; Y71-S75 WeakPolarHBondContact O-CB 2.95Å; Y71-S75 PolarHBondContact O-N 3.28Å; Y71-L76 WeakPolarHBondContact CE1-O 3.3Å
72	A	98.2	Very high	98.3	Very high	24 Å²	24	71.3 Å²	71.3	20%	0.198	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	39.6	179.5	0	0	0	0	0	113.2	N53 L55 S74	N53-A72 CarbonylContact O-C 3.49Å; N53-A72 WeakPolarHBondContact O-CA 3.22Å; L55-A72 PolarHBondContact O-N 2.86Å; A72-S74 PolarHBondContact O-N 2.78Å
73	A	98.5	Very high	98.3	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.008	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-30.7	-175.2	0	0	0	0	0	117.3	N53 L55 Y71 G86 S87 F93	N53-A73 HydrophobicContact CB-CB 4.22Å; N53-A73 PolarHBondContact O-N 3.32Å; L55-A73 HydrophobicContact CB-CB 4.29Å; L55-A73 PolarHBondContact O-N 2.75Å; Y71-A73 PolarHBondContact O-N 2.76Å; Y71-A73 VanDerWaalsContact O-N 3.12Å; A73-G86 CarbonylContact O-C 3.48Å; A73-G86 VanDerWaalsContact O-CA 3.23Å; A73-G86 WeakPolarHBondContact O-CA 3.22Å; A73-S87 PolarHBondContact O-N 2.95Å; A73-F93 HydrophobicContact CB-CD1 3.7Å; A73-F93 HydrophobicContact CB-CE1 3.7Å
74	S	98.6	Very high	98.4	Very high	72 Å²	72	63.9 Å²	63.9	50%	0.503	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.6	-9.7	-170.4	58.7	0	0	0	0	116.1	Y71 A72 G86	Y71-S74 PolarHBondContact O-N 2.73Å; A72-S74 PolarHBondContact O-N 2.78Å; S74-G86 WeakPolarHBondContact CA-O 3.26Å; S74-G86 VanDerWaalsContact CB-O 3.24Å; S74-G86 WeakPolarHBondContact CB-O 3.47Å
75	S	98.8	Very high	98.4	Very high	43 Å²	43	59.9 Å²	59.9	30%	0.301	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125	-176.3	-62.4	0	0	0	0	111.7	I70 Y71	I70-S75 CarbonylContact C-O 3.55Å; I70-S75 VanDerWaalsContact CA-O 3.25Å; I70-S75 WeakPolarHBondContact CA-O 3.23Å; I70-S75 VanDerWaalsContact CG2-O 3.32Å; I70-S75 WeakPolarHBondContact CG2-O 3.39Å; Y71-S75 VanDerWaalsContact CD1-O 3.23Å; Y71-S75 WeakPolarHBondContact CD1-O 3.27Å; Y71-S75 VanDerWaalsContact CE2-CB 3.46Å; Y71-S75 PolarHBondContact N-O 2.82Å; Y71-S75 WeakPolarHBondContact O-CB 2.95Å; Y71-S75 PolarHBondContact O-N 3.28Å
76	L	98.8	Very high	98.5	Very high	61 Å²	61	55 Å²	55	32%	0.319	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.5	178.8	-67.3	168.2	0	0	0	111.2	I70 Y71 V80 F84	I70-L76 HydrophobicContact CD1-CD2 4.07Å; I70-L76 HydrophobicContact CG1-CD2 3.89Å; Y71-L76 WeakPolarHBondContact CE1-O 3.3Å; L76-V80 HydrophobicContact CB-CB 4.4Å; L76-V80 HydrophobicContact CD2-CB 4.28Å; L76-V80 HydrophobicContact CD2-CG1 3.63Å; L76-F84 HydrophobicContact CD2-CB 3.84Å; L76-F84 VanDerWaalsContact CD2-O 3.31Å; L76-F84 WeakPolarHBondContact CD2-O 3.38Å
77	Q	98.6	Very high	98.5	Very high	66 Å²	66	54.4 Å²	54.4	31%	0.308	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-65.7	150.8	167.8	-177.6	57.5	-97.6	0	0	110.4	H68 L69 G79 V80	H68-Q77 PolarHBondContact ND1-NE2 2.82Å; L69-Q77 PolarHBondContact O-N 2.83Å; Q77-G79 PolarHBondContact O-N 2.01Å; Q77-V80 HydrophobicContact CB-CG2 3.91Å; Q77-V80 VanDerWaalsContact O-CB 3.28Å; Q77-V80 WeakPolarHBondContact O-CB 3Å; Q77-V80 WeakPolarHBondContact O-CG2 2.99Å; Q77-V80 PolarHBondContact O-N 2.9Å
78	S	98.3	Very high	98.5	Very high	112 Å²	112	49.4 Å²	49.4	78%	0.783	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	130.7	177.1	-65.6	0	0	0	0	112.2	V80	S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 PolarHBondContact O-N 2.84Å
79	G	98	Very high	98.5	Very high	83 Å²	83	50.4 Å²	50.4	86%	0.856	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-0.8	-179.7	0	0	0	0	0	115.2	Q77	Q77-G79 PolarHBondContact O-N 2.01Å
80	V	98.4	Very high	98.5	Very high	27 Å²	27	51.3 Å²	51.3	16%	0.164	35%	0.348	C	S	.	.			trans	-77	128.4	172.9	176.8	0	0	0	0	109.9	L69 L76 Q77 S78 F84	L69-V80 HydrophobicContact CD1-CB 4.39Å; L69-V80 HydrophobicContact CD1-CG1 3.44Å; L69-V80 VanDerWaalsContact CD1-CG1 3.44Å; L69-V80 HydrophobicContact CD1-CG2 3.99Å; L69-V80 HydrophobicContact CG-CG1 4.04Å; L76-V80 HydrophobicContact CB-CB 4.4Å; L76-V80 HydrophobicContact CD2-CB 4.28Å; L76-V80 HydrophobicContact CD2-CG1 3.63Å; Q77-V80 HydrophobicContact CB-CG2 3.91Å; Q77-V80 VanDerWaalsContact O-CB 3.28Å; Q77-V80 WeakPolarHBondContact O-CB 3Å; Q77-V80 WeakPolarHBondContact O-CG2 2.99Å; Q77-V80 PolarHBondContact O-N 2.9Å; S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 PolarHBondContact O-N 2.84Å; V80-F84 HydrophobicContact CG1-CB 3.96Å; V80-F84 HydrophobicContact CG1-CD2 3.78Å; V80-F84 HydrophobicContact CG1-CG 4.09Å
81	P	98.5	Very high	98.5	Very high	50 Å²	50	53.7 Å²	53.7	33%	0.325	36%	0.363	S	S	.	.			trans	-59.1	144.2	178.9	-28.7	37.6	0	0	0	113.7	R83 F84	P81-R83 HydrophobicContact CB-CG 3.86Å; P81-R83 PolarHBondContact O-N 2.87Å; P81-F84 HydrophobicContact CB-CD2 4.17Å; P81-F84 HydrophobicContact CB-CE2 4.39Å; P81-F84 HydrophobicContact CG-CD2 4.45Å; P81-F84 HydrophobicContact CG-CE2 4.32Å; P81-F84 WeakPolarHBondContact O-CD2 3.38Å; P81-F84 PolarHBondContact O-N 3.44Å
82	S	98.4	Very high	98.5	Very high	114 Å²	114	53.9 Å²	53.9	80%	0.797	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.9	179.6	56.8	0	0	0	0	114.9	F84	S82-F84 PolarHBondContact O-N 2.8Å
83	R	98.4	Very high	98.5	Very high	43 Å²	43	52.9 Å²	52.9	16%	0.162	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.5	170.7	61.7	171.6	-179.6	-89.8	4.2	112.9	P81 I97 S98 S99 E103 D104	P81-R83 HydrophobicContact CB-CG 3.86Å; P81-R83 PolarHBondContact O-N 2.87Å; R83-I97 HydrophobicContact CG-CG2 4.48Å; R83-I97 CarbonylContact O-C 3.5Å; R83-I97 WeakPolarHBondContact O-CA 3.47Å; R83-S98 WeakPolarHBondContact CA-OG 3.45Å; R83-S98 WeakPolarHBondContact CB-OG 3.36Å; R83-S98 PolarHBondContact O-N 2.95Å; R83-S98 PolarHBondContact O-OG 2.83Å; R83-S99 VanDerWaalsContact CD-O 3.26Å; R83-S99 WeakPolarHBondContact CD-O 3.38Å; R83-E103 IonicContact CZ-OE1 3.45Å; R83-E103 IonicContact NH1-OE1 3.55Å; R83-E103 IonicContact NH2-OE1 2.73Å; R83-E103 PolarHBondContact NH2-OE1 3.49Å; R83-D104 IonicContact CZ-OD1 3.46Å; R83-D104 IonicContact CZ-OD2 3.53Å; R83-D104 IonicContact NE-OD1 3.32Å; R83-D104 PolarHBondContact NE-OD1 3.2Å; R83-D104 IonicContact NE-OD2 2.78Å; R83-D104 PolarHBondContact NE-OD2 3.22Å; R83-D104 IonicContact NH2-OD1 2.75Å; R83-D104 PolarHBondContact NH2-OD1 3.46Å; R83-D104 IonicContact NH2-OD2 3.52Å
84	F	98.8	Very high	98.5	Very high	5 Å²	5	54.5 Å²	54.5	2%	0.022	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	138.5	172.2	-65.7	-83.7	0	0	0	109.9	L69 L76 V80 P81 S82 L95 T96 I97 D104 Y108	L69-F84 HydrophobicContact CD1-CD1 4.09Å; L69-F84 HydrophobicContact CD1-CD2 4.2Å; L69-F84 HydrophobicContact CD1-CE1 4.23Å; L69-F84 HydrophobicContact CD1-CE2 4.37Å; L69-F84 HydrophobicContact CD1-CG 4.05Å; L69-F84 HydrophobicContact CD1-CZ 4.36Å; L69-F84 HydrophobicContact CD2-CD1 3.67Å; L69-F84 HydrophobicContact CD2-CE1 4.07Å; L69-F84 HydrophobicContact CD2-CG 4.23Å; L69-F84 HydrophobicContact CG-CD1 4.31Å; L69-F84 HydrophobicContact CG-CG 4.42Å; L76-F84 HydrophobicContact CD2-CB 3.84Å; L76-F84 VanDerWaalsContact CD2-O 3.31Å; L76-F84 WeakPolarHBondContact CD2-O 3.38Å; V80-F84 HydrophobicContact CG1-CB 3.96Å; V80-F84 HydrophobicContact CG1-CD2 3.78Å; V80-F84 HydrophobicContact CG1-CG 4.09Å; P81-F84 HydrophobicContact CB-CD2 4.17Å; P81-F84 HydrophobicContact CB-CE2 4.39Å; P81-F84 HydrophobicContact CG-CD2 4.45Å; P81-F84 HydrophobicContact CG-CE2 4.32Å; P81-F84 WeakPolarHBondContact O-CD2 3.38Å; P81-F84 PolarHBondContact O-N 3.44Å; S82-F84 PolarHBondContact O-N 2.8Å; F84-L95 HydrophobicContact CD1-CD1 4.46Å; F84-T96 CarbonylContact C-O 3.5Å; F84-T96 WeakPolarHBondContact CA-O 3.39Å; F84-I97 HydrophobicContact CD1-CD1 4.29Å; F84-I97 HydrophobicContact CD1-CG1 3.79Å; F84-I97 HydrophobicContact CD1-CG2 4.43Å; F84-I97 HydrophobicContact CE1-CD1 3.69Å; F84-I97 HydrophobicContact CE1-CG1 3.71Å; F84-I97 HydrophobicContact CE1-CG2 4.23Å; F84-D104 HydrophobicContact CZ-CB 4.29Å; F84-D104 VanDerWaalsContact CZ-OD1 3.22Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.28Å; F84-Y108 AromaticContact CE1-CE1 3.99Å; F84-Y108 HydrophobicContact CE1-CE1 3.99Å
85	S	98.8	Very high	98.5	Very high	55 Å²	55	51.1 Å²	51.1	39%	0.385	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	147.6	170.3	60	0	0	0	0	111.3	I70 T96	I70-S85 VanDerWaalsContact CD1-C 3.42Å; S85-T96 PolarHBondContact N-O 3.42Å; S85-T96 PolarHBondContact O-N 2.88Å; S85-T96 WeakPolarHBondContact OG-CB 3.23Å
86	G	98.8	Very high	98.5	Very high	10 Å²	10	49.3 Å²	49.3	10%	0.103	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.7	177.8	0	0	0	0	0	109.5	I70 A73 S74 T94	I70-G86 VanDerWaalsContact CD1-N 3.27Å; A73-G86 CarbonylContact O-C 3.48Å; A73-G86 VanDerWaalsContact O-CA 3.23Å; A73-G86 WeakPolarHBondContact O-CA 3.22Å; S74-G86 WeakPolarHBondContact CA-O 3.26Å; S74-G86 VanDerWaalsContact CB-O 3.24Å; S74-G86 WeakPolarHBondContact CB-O 3.47Å; G86-T94 CarbonylContact C-O 3.57Å; G86-T94 VanDerWaalsContact CA-O 3.31Å; G86-T94 WeakPolarHBondContact CA-O 3.31Å
87	S	98.6	Very high	98.5	Very high	57 Å²	57	46.5 Å²	46.5	40%	0.399	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	165.7	174.8	68	0	0	0	0	111.3	A73 F93 T94	A73-S87 PolarHBondContact O-N 2.95Å; S87-F93 CarbonylContact O-C 3.22Å; S87-F93 VanDerWaalsContact O-CA 3.26Å; S87-F93 WeakPolarHBondContact O-CA 3.34Å; S87-T94 PolarHBondContact N-O 2.87Å; S87-T94 PolarHBondContact O-N 2.92Å
88	G	98.4	Very high	98.5	Very high	39 Å²	39	46.3 Å²	46.3	40%	0.402	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	109.1	167.4	175.7	0	0	0	0	0	114.1	E92	G88-E92 CarbonylContact C-O 3.58Å; G88-E92 WeakPolarHBondContact CA-O 3.48Å
89	S	98.3	Very high	98.6	Very high	84 Å²	84	43 Å²	43	59%	0.587	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.1	167.4	179.3	66.9	0	0	0	0	109.9	S52 T91 E92	S52-S89 CarbonylContact O-C 3.16Å; S52-S89 WeakPolarHBondContact O-CA 3.49Å; S89-T91 PolarHBondContact O-N 3.3Å; S89-E92 PolarHBondContact N-O 3.19Å; S89-E92 PolarHBondContact O-N 3.41Å
90	G	98.2	Very high	98.6	Very high	26 Å²	26	39.5 Å²	39.5	27%	0.268	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	-98.4	-179.6	0	0	0	0	0	110.5	G50 I51 S52	G50-G90 CarbonylContact C-O 3.59Å; G50-G90 WeakPolarHBondContact CA-O 3.39Å; I51-G90 WeakPolarHBondContact CG1-O 3.26Å; I51-G90 PolarHBondContact N-O 2.82Å; S52-G90 PolarHBondContact O-N 3.24Å
91	T	98.3	Very high	98.6	Very high	50 Å²	50	41 Å²	41	31%	0.307	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-13.6	-174.3	59	0	0	0	0	114.2	R46 A47 S89	R46-T91 CarbonylContact C-O 3.56Å; R46-T91 VanDerWaalsContact CA-O 3.23Å; R46-T91 WeakPolarHBondContact CA-O 3.35Å; R46-T91 WeakPolarHBondContact CG-O 3.21Å; A47-T91 PolarHBondContact N-O 3.08Å; S89-T91 PolarHBondContact O-N 3.3Å
92	E	98.7	Very high	98.6	Very high	110 Å²	110	42.4 Å²	42.4	51%	0.514	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.9	-170.6	-62.3	-167.7	135.2	0	0	111.1	R46 G88 S89	R46-E92 HydrophobicContact CG-CG 4.34Å; R46-E92 IonicContact CZ-OE1 3.74Å; R46-E92 IonicContact NH1-OE1 2.73Å; R46-E92 PolarHBondContact NH1-OE1 3.46Å; G88-E92 CarbonylContact C-O 3.58Å; G88-E92 WeakPolarHBondContact CA-O 3.48Å; S89-E92 PolarHBondContact N-O 3.19Å; S89-E92 PolarHBondContact O-N 3.41Å
93	F	98.8	Very high	98.5	Very high	2 Å²	2	41 Å²	41	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	153.1	-172.7	-57.5	-87.7	0	0	0	110.8	T44 C45 I51 S52 L55 A73 S87	T44-F93 CarbonylContact C-O 3.55Å; T44-F93 WeakPolarHBondContact CA-O 3.31Å; C45-F93 HydrophobicContact CB-CB 4.38Å; C45-F93 PolarHBondContact N-O 2.89Å; C45-F93 PolarHBondContact O-N 2.81Å; I51-F93 HydrophobicContact CD1-CD2 4.45Å; I51-F93 HydrophobicContact CD1-CE2 3.56Å; I51-F93 HydrophobicContact CD1-CZ 3.79Å; I51-F93 HydrophobicContact CG1-CE2 3.59Å; I51-F93 HydrophobicContact CG1-CZ 3.57Å; S52-F93 WeakPolarHBondContact O-CZ 3.2Å; L55-F93 HydrophobicContact CB-CD1 3.95Å; L55-F93 HydrophobicContact CB-CE1 3.91Å; L55-F93 HydrophobicContact CB-CG 4.29Å; L55-F93 HydrophobicContact CB-CZ 4.25Å; L55-F93 HydrophobicContact CD1-CB 4.4Å; L55-F93 HydrophobicContact CD1-CD1 4.46Å; L55-F93 HydrophobicContact CD1-CD2 3.79Å; L55-F93 HydrophobicContact CD1-CE2 4.18Å; L55-F93 HydrophobicContact CD1-CG 3.96Å; L55-F93 HydrophobicContact CD2-CB 3.52Å; L55-F93 HydrophobicContact CD2-CD1 3.71Å; L55-F93 HydrophobicContact CD2-CD2 4.28Å; L55-F93 HydrophobicContact CD2-CG 3.57Å; L55-F93 HydrophobicContact CG-CB 4.5Å; L55-F93 HydrophobicContact CG-CD1 4.25Å; L55-F93 HydrophobicContact CG-CD2 4.43Å; L55-F93 HydrophobicContact CG-CG 4.13Å; A73-F93 HydrophobicContact CB-CD1 3.7Å; A73-F93 HydrophobicContact CB-CE1 3.7Å; S87-F93 CarbonylContact O-C 3.22Å; S87-F93 VanDerWaalsContact O-CA 3.26Å; S87-F93 WeakPolarHBondContact O-CA 3.34Å
94	T	98.8	Very high	98.5	Very high	35 Å²	35	39.2 Å²	39.2	22%	0.215	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	135.8	-179.6	-58.1	0	0	0	0	110.2	T42 I43 G86 S87	T42-T94 HydrophobicContact CG2-CG2 3.33Å; I43-T94 CarbonylContact O-C 3.55Å; I43-T94 WeakPolarHBondContact O-CA 3.38Å; G86-T94 CarbonylContact C-O 3.57Å; G86-T94 VanDerWaalsContact CA-O 3.31Å; G86-T94 WeakPolarHBondContact CA-O 3.31Å; S87-T94 PolarHBondContact N-O 2.87Å; S87-T94 PolarHBondContact O-N 2.92Å
95	L	98.9	Very high	98.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.4	161.9	173.9	64.2	0	0	0	108.2	T42 I43 W57 L69 I70 F84 Y108	T42-L95 CarbonylContact C-O 3.56Å; T42-L95 WeakPolarHBondContact CA-O 3.26Å; I43-L95 HydrophobicContact CB-CB 4.42Å; I43-L95 HydrophobicContact CD1-CD2 4.31Å; I43-L95 PolarHBondContact N-O 2.8Å; I43-L95 PolarHBondContact O-N 2.79Å; W57-L95 HydrophobicContact CD2-CB 3.69Å; W57-L95 HydrophobicContact CD2-CD2 4.09Å; W57-L95 HydrophobicContact CD2-CG 4.35Å; W57-L95 HydrophobicContact CE3-CB 3.91Å; W57-L95 HydrophobicContact CE3-CD2 3.8Å; W57-L95 HydrophobicContact CE3-CG 4.46Å; W57-L95 HydrophobicContact CG-CB 4.28Å; W57-L95 HydrophobicContact CG-CD1 4.4Å; W57-L95 HydrophobicContact CG-CD2 4.47Å; W57-L95 HydrophobicContact CH2-CB 3.86Å; W57-L95 HydrophobicContact CZ2-CB 3.66Å; W57-L95 HydrophobicContact CZ3-CB 3.99Å; W57-L95 HydrophobicContact CZ3-CD2 4.24Å; L69-L95 HydrophobicContact CD2-CD1 3.77Å; L69-L95 HydrophobicContact CD2-CD2 4.12Å; I70-L95 HydrophobicContact CD1-CD1 3.62Å; F84-L95 HydrophobicContact CD1-CD1 4.46Å; L95-Y108 HydrophobicContact CD2-CD1 3.48Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.48Å; L95-Y108 HydrophobicContact CD2-CE1 4.08Å; L95-Y108 HydrophobicContact CD2-CG 3.97Å
96	T	98.8	Very high	98.4	Very high	6 Å²	6	43 Å²	43	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.3	174.5	-65.1	0	0	0	0	109.6	R40 V41 F84 S85	R40-T96 HydrophobicContact CG-CG2 4.34Å; R40-T96 PolarHBondContact NH2-OG1 3.05Å; V41-T96 WeakPolarHBondContact O-CA 3.3Å; F84-T96 CarbonylContact C-O 3.5Å; F84-T96 WeakPolarHBondContact CA-O 3.39Å; S85-T96 PolarHBondContact N-O 3.42Å; S85-T96 PolarHBondContact O-N 2.88Å; S85-T96 WeakPolarHBondContact OG-CB 3.23Å
97	I	98.8	Very high	98.3	Very high	2 Å²	2	46 Å²	46	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	112.4	164.3	-44.7	177.6	0	0	0	105.7	R40 V41 R83 F84 L100 D104 Y108	R40-I97 CarbonylContact C-O 3.55Å; R40-I97 VanDerWaalsContact CA-O 3.31Å; R40-I97 WeakPolarHBondContact CA-O 3.37Å; V41-I97 HydrophobicContact CB-CB 4.19Å; V41-I97 HydrophobicContact CB-CD1 4.34Å; V41-I97 HydrophobicContact CB-CG1 4.37Å; V41-I97 HydrophobicContact CG1-CD1 4.34Å; V41-I97 PolarHBondContact N-O 2.9Å; V41-I97 PolarHBondContact O-N 2.93Å; R83-I97 HydrophobicContact CG-CG2 4.48Å; R83-I97 CarbonylContact O-C 3.5Å; R83-I97 WeakPolarHBondContact O-CA 3.47Å; F84-I97 HydrophobicContact CD1-CD1 4.29Å; F84-I97 HydrophobicContact CD1-CG1 3.79Å; F84-I97 HydrophobicContact CD1-CG2 4.43Å; F84-I97 HydrophobicContact CE1-CD1 3.69Å; F84-I97 HydrophobicContact CE1-CG1 3.71Å; F84-I97 HydrophobicContact CE1-CG2 4.23Å; I97-L100 HydrophobicContact CD1-CD1 4.05Å; I97-L100 HydrophobicContact CG2-CD1 4.42Å; I97-D104 HydrophobicContact CD1-CB 4.48Å; I97-Y108 HydrophobicContact CD1-CE1 4.43Å; I97-Y108 HydrophobicContact CD1-CE2 4.25Å
98	S	98.7	Very high	98.3	Very high	62 Å²	62	44.1 Å²	44.1	43%	0.434	27%	0.266	S	S	.	.	S	Bend	trans	-73.5	-30.3	-171.4	62	0	0	0	0	113.7	R83	R83-S98 WeakPolarHBondContact CA-OG 3.45Å; R83-S98 WeakPolarHBondContact CB-OG 3.36Å; R83-S98 PolarHBondContact O-N 2.95Å; R83-S98 PolarHBondContact O-OG 2.83Å
99	S	98.5	Very high	98.3	Very high	43 Å²	43	46.8 Å²	46.8	30%	0.301	27%	0.265	S	S	.	.	S	Bend	trans	-148.1	99.1	176.5	-176.5	0	0	0	0	108.9	R83 Q101	R83-S99 VanDerWaalsContact CD-O 3.26Å; R83-S99 WeakPolarHBondContact CD-O 3.38Å; S99-Q101 PolarHBondContact O-N 3.43Å; S99-Q101 PolarHBondContact O-NE2 2.81Å
100	L	98.6	Very high	98.3	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.042	24%	0.241	C	C	.	.			trans	-60.3	131.3	-175.5	-173.4	71.8	0	0	0	111.6	A35 V37 G38 D39 V41 I97 D104 F105	A35-L100 HydrophobicContact CB-CD2 3.78Å; V37-L100 WeakPolarHBondContact CA-O 3.24Å; V37-L100 WeakPolarHBondContact CG1-O 3.49Å; G38-L100 PolarHBondContact N-O 3.33Å; D39-L100 WeakPolarHBondContact O-CB 3.46Å; D39-L100 PolarHBondContact O-N 2.85Å; V41-L100 HydrophobicContact CG2-CB 4.48Å; V41-L100 HydrophobicContact CG2-CD1 4.17Å; V41-L100 HydrophobicContact CG2-CD2 4.18Å; I97-L100 HydrophobicContact CD1-CD1 4.05Å; I97-L100 HydrophobicContact CG2-CD1 4.42Å; L100-D104 HydrophobicContact CD1-CB 3.62Å; L100-F105 HydrophobicContact CD2-CE1 4.02Å; L100-F105 HydrophobicContact CD2-CZ 3.98Å
101	Q	98.6	Very high	98.2	Very high	58 Å²	58	46.5 Å²	46.5	27%	0.271	25%	0.251	S	S	.	.			trans	-113	160.1	174.8	-59.5	-57.2	-44.6	0	0	112.1	S99 E103 D104	S99-Q101 PolarHBondContact O-N 3.43Å; S99-Q101 PolarHBondContact O-NE2 2.81Å; Q101-E103 VanDerWaalsContact CB-CD 3.43Å; Q101-E103 HydrophobicContact CB-CG 4.43Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.32Å; Q101-E103 VanDerWaalsContact CB-OE2 3.3Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.25Å; Q101-E103 PolarHBondContact O-N 3.32Å; Q101-E103 VanDerWaalsContact O-N 3.15Å; Q101-D104 PolarHBondContact N-OD2 2.85Å; Q101-D104 VanDerWaalsContact O-CB 3.29Å; Q101-D104 WeakPolarHBondContact O-CB 3.33Å; Q101-D104 PolarHBondContact O-N 2.95Å
102	P	97.7	Very high	98.1	Very high	81 Å²	81	44.8 Å²	44.8	53%	0.526	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-55	-31.3	177.5	-27.1	36.1	0	0	0	114.5	V37 D104 F105	V37-P102 HydrophobicContact CG2-CG 4.05Å; P102-D104 PolarHBondContact O-N 3.05Å; P102-F105 VanDerWaalsContact O-CD2 3.25Å; P102-F105 WeakPolarHBondContact O-CD2 3.32Å
103	E	97.1	Very high	98	Very high	85 Å²	85	42.4 Å²	42.4	40%	0.397	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-76.4	-5.2	176.9	69.6	-86.8	-165.1	0	0	114.2	K61 R83 Q101	K61-E103 WeakPolarHBondContact CE-O 3.33Å; K61-E103 PolarHBondContact NZ-O 3.47Å; R83-E103 IonicContact CZ-OE1 3.45Å; R83-E103 IonicContact NH1-OE1 3.55Å; R83-E103 IonicContact NH2-OE1 2.73Å; R83-E103 PolarHBondContact NH2-OE1 3.49Å; Q101-E103 VanDerWaalsContact CB-CD 3.43Å; Q101-E103 HydrophobicContact CB-CG 4.43Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.32Å; Q101-E103 VanDerWaalsContact CB-OE2 3.3Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.25Å; Q101-E103 PolarHBondContact O-N 3.32Å; Q101-E103 VanDerWaalsContact O-N 3.15Å
104	D	98	Very high	97.7	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-94	-6.8	-177.8	-58.2	-26	0	0	0	112.9	R83 F84 I97 L100 Q101 P102 A106 Y108	R83-D104 IonicContact CZ-OD1 3.46Å; R83-D104 IonicContact CZ-OD2 3.53Å; R83-D104 IonicContact NE-OD1 3.32Å; R83-D104 PolarHBondContact NE-OD1 3.2Å; R83-D104 IonicContact NE-OD2 2.78Å; R83-D104 PolarHBondContact NE-OD2 3.22Å; R83-D104 IonicContact NH2-OD1 2.75Å; R83-D104 PolarHBondContact NH2-OD1 3.46Å; R83-D104 IonicContact NH2-OD2 3.52Å; F84-D104 HydrophobicContact CZ-CB 4.29Å; F84-D104 VanDerWaalsContact CZ-OD1 3.22Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.28Å; I97-D104 HydrophobicContact CD1-CB 4.48Å; L100-D104 HydrophobicContact CD1-CB 3.62Å; Q101-D104 PolarHBondContact N-OD2 2.85Å; Q101-D104 VanDerWaalsContact O-CB 3.29Å; Q101-D104 WeakPolarHBondContact O-CB 3.33Å; Q101-D104 PolarHBondContact O-N 2.95Å; P102-D104 PolarHBondContact O-N 3.05Å; D104-A106 PolarHBondContact O-N 2.94Å; D104-Y108 WeakPolarHBondContact O-CE2 3.19Å; D104-Y108 PolarHBondContact O-OH 2.87Å
105	F	97.1	Very high	97.2	Very high	110 Å²	110	46.2 Å²	46.2	48%	0.482	25%	0.251	S	S	.	.			trans	-66.2	103.3	172.8	-68.5	-73.1	0	0	0	110	V37 L100 P102	V37-F105 HydrophobicContact CG2-CE2 4.45Å; L100-F105 HydrophobicContact CD2-CE1 4.02Å; L100-F105 HydrophobicContact CD2-CZ 3.98Å; P102-F105 VanDerWaalsContact O-CD2 3.25Å; P102-F105 WeakPolarHBondContact O-CD2 3.32Å
106	A	98.1	Very high	96.3	Very high	29 Å²	29	54.8 Å²	54.8	24%	0.24	29%	0.285	C	S	.	.	S	Bend	trans	-161.8	167.4	-171.4	0	0	0	0	0	110.6	Q59 Q60 K61 D104 Y108	Q59-A106 HydrophobicContact CG-CB 3.47Å; Q59-A106 VanDerWaalsContact CG-CB 3.47Å; Q60-A106 WeakPolarHBondContact O-CB 3.3Å; K61-A106 HydrophobicContact CG-CB 4.2Å; D104-A106 PolarHBondContact O-N 2.94Å; A106-Y108 HydrophobicContact CB-CE2 4.09Å; A106-Y108 WeakPolarHBondContact O-CD2 3.39Å; A106-Y108 WeakPolarHBondContact O-CE2 3.24Å
107	T	98.2	Very high	94.8	Very high	73 Å²	73	61.2 Å²	61.2	45%	0.448	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137.4	164.4	-48.6	0	0	0	0	109.3	Q60 Y109	Q60-T107 PolarHBondContact N-O 2.8Å; Q60-T107 PolarHBondContact O-N 3.28Å; T107-Y109 HydrophobicContact CG2-CE1 3.86Å; T107-Y109 HydrophobicContact CG2-CE2 3.77Å; T107-Y109 VanDerWaalsContact CG2-OH 3.28Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.31Å
108	Y	98.5	Very high	94.6	Very high	19 Å²	19	64.2 Å²	64.2	8%	0.075	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.8	179.4	-66.2	-92.2	0	0	0	110.9	Q28 I43 F58 Q59 L69 F84 L95 I97 D104 A106	Q28-Y108 PolarHBondContact NE2-O 2.86Å; I43-Y108 HydrophobicContact CD1-CD2 3.85Å; I43-Y108 HydrophobicContact CD1-CG 3.96Å; F58-Y108 VanDerWaalsContact O-CA 3.3Å; F58-Y108 WeakPolarHBondContact O-CA 3.24Å; Q59-Y108 HydrophobicContact CB-CD1 4.1Å; Q59-Y108 HydrophobicContact CB-CE1 3.84Å; Q59-Y108 HydrophobicContact CG-CD1 4.25Å; Q59-Y108 HydrophobicContact CG-CE1 3.67Å; Q59-Y108 PolarHBondContact NE2-OH 3.27Å; L69-Y108 HydrophobicContact CD2-CD1 4.31Å; L69-Y108 HydrophobicContact CD2-CE1 4.11Å; F84-Y108 AromaticContact CE1-CE1 3.99Å; F84-Y108 HydrophobicContact CE1-CE1 3.99Å; L95-Y108 HydrophobicContact CD2-CD1 3.48Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.48Å; L95-Y108 HydrophobicContact CD2-CE1 4.08Å; L95-Y108 HydrophobicContact CD2-CG 3.97Å; I97-Y108 HydrophobicContact CD1-CE1 4.43Å; I97-Y108 HydrophobicContact CD1-CE2 4.25Å; D104-Y108 WeakPolarHBondContact O-CE2 3.19Å; D104-Y108 PolarHBondContact O-OH 2.87Å; A106-Y108 HydrophobicContact CB-CE2 4.09Å; A106-Y108 WeakPolarHBondContact O-CD2 3.39Å; A106-Y108 WeakPolarHBondContact O-CE2 3.24Å
109	Y	98.2	Very high	94.3	Very high	95 Å²	95	64.3 Å²	64.3	37%	0.373	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.5	-178.5	-55.8	-81	0	0	0	110.3	W57 F58 Q60 T107	W57-Y109 CarbonylContact C-O 3.59Å; W57-Y109 WeakPolarHBondContact CA-O 3.39Å; F58-Y109 PolarHBondContact N-O 3.43Å; F58-Y109 PolarHBondContact O-N 3.26Å; Q60-Y109 HydrophobicContact CB-CD2 4.39Å; Q60-Y109 HydrophobicContact CB-CE2 3.78Å; Q60-Y109 VanDerWaalsContact OE1-CE2 3.27Å; Q60-Y109 PolarHBondContact OE1-OH 3.04Å; T107-Y109 HydrophobicContact CG2-CE1 3.86Å; T107-Y109 HydrophobicContact CG2-CE2 3.77Å; T107-Y109 VanDerWaalsContact CG2-OH 3.28Å; T107-Y109 WeakPolarHBondContact CG2-OH 3.31Å
110	C	98	Very high	94.1	Very high	12 Å²	12	65.4 Å²	65.4	8%	0.081	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.4	164.8	67.6	0	0	0	0	110	Q28 C45 L55 A56 W57	Q28-C110 WeakPolarHBondContact CG-SG 3.25Å; Q28-C110 PolarHBondContact OE1-SG 3.33Å; C45-C110 HydrophobicContact CB-CB 3.49Å; C45-C110 VanDerWaalsContact CB-CB 3.49Å; C45-C110 WeakPolarHBondContact CB-SG 3.23Å; C45-C110 WeakPolarHBondContact SG-CB 3.47Å; C45-C110 CovalentContact SG-SG 2.01Å; C45-C110 PolarHBondContact SG-SG 2.8Å; L55-C110 HydrophobicContact CD1-CB 4.1Å; L55-C110 HydrophobicContact CG-CB 4.5Å; A56-C110 CarbonylContact O-C 3.55Å; A56-C110 WeakPolarHBondContact O-CA 3.34Å; W57-C110 HydrophobicContact CD2-CB 4.12Å; W57-C110 HydrophobicContact CE3-CB 3.83Å; W57-C110 HydrophobicContact CH2-CB 3.88Å; W57-C110 HydrophobicContact CZ2-CB 4.13Å; W57-C110 HydrophobicContact CZ3-CB 3.71Å
111	L	96.7	Very high	93.8	Very high	92 Å²	92	68.8 Å²	68.8	48%	0.482	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.8	179.2	-179.4	138.4	0	0	0	109.8	L55 A56 F58	L55-L111 WeakPolarHBondContact CA-O 3.22Å; A56-L111 PolarHBondContact N-O 2.95Å; A56-L111 PolarHBondContact O-N 3.27Å; F58-L111 HydrophobicContact CD2-CB 4.38Å; F58-L111 HydrophobicContact CE2-CB 4.05Å
112	Q	96.1	Very high	93.5	Very high	13 Å²	13	69.5 Å²	69.5	6%	0.061	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	146.2	172.1	73.1	80.5	25	0	0	110.6	N23 I24 M26 I51 Y54 S115	N23-Q112 PolarHBondContact OD1-NE2 3.12Å; I24-Q112 HydrophobicContact CB-CG 3.89Å; I24-Q112 HydrophobicContact CG2-CG 4.05Å; M26-Q112 HydrophobicContact CE-CB 4.25Å; M26-Q112 HydrophobicContact CG-CG 4.26Å; M26-Q112 HydrophobicContact SD-CB 3.75Å; M26-Q112 HydrophobicContact SD-CG 3.75Å; I51-Q112 HydrophobicContact CD1-CB 3.49Å; I51-Q112 VanDerWaalsContact CD1-CB 3.49Å; I51-Q112 HydrophobicContact CG2-CB 4.21Å; Y54-Q112 CarbonylContact O-C 3.6Å; Y54-Q112 VanDerWaalsContact O-CA 3.26Å; Y54-Q112 WeakPolarHBondContact O-CA 3.22Å; Q112-S115 PolarHBondContact NE2-O 3.33Å; Q112-S115 VanDerWaalsContact OE1-N 3.13Å
113	H	94.8	Very high	93.3	Very high	61 Å²	61	68.7 Å²	68.7	28%	0.282	35%	0.351	S	S	.	.			trans	-131.3	23.9	174.4	57.6	-84.7	0	0	0	112.3	Y54 L55	Y54-H113 WeakPolarHBondContact CA-CE1 3.42Å; Y54-H113 AromaticContact CD1-CD2 3.64Å; Y54-H113 AromaticContact CD1-NE2 3.51Å; Y54-H113 PolarHBondContact O-N 2.85Å; Y54-H113 PolarHBondContact O-ND1 2.9Å; L55-H113 PolarHBondContact N-CE1 3.31Å
114	N	94	Very high	93	Very high	63 Å²	63	67.6 Å²	67.6	34%	0.337	35%	0.348	S	S	.	.	S	Bend	trans	-73.2	-36.7	175.5	-179.3	61.6	0	0	0	112.1	I24 G50 I51 Y54	I24-N114 HydrophobicContact CD1-CB 4.4Å; G50-N114 PolarHBondContact O-ND2 2.81Å; I51-N114 HydrophobicContact CB-CB 3.69Å; I51-N114 HydrophobicContact CG2-CB 3.78Å; Y54-N114 HydrophobicContact CD2-CB 3.87Å; Y54-N114 VanDerWaalsContact CD2-OD1 3.22Å; Y54-N114 WeakPolarHBondContact CD2-OD1 3.36Å; Y54-N114 HydrophobicContact CG-CB 4.2Å
115	S	87.4	Confident	92.6	Very high	53 Å²	53	72.5 Å²	72.5	37%	0.371	37%	0.373	S	S	.	.			trans	-141.6	137.5	179	-169.2	0	0	0	0	110.3	Q112	Q112-S115 PolarHBondContact NE2-O 3.33Å; Q112-S115 VanDerWaalsContact OE1-N 3.13Å
116	Y	80.1	Confident	92.2	Very high	182 Å²	182	69.3 Å²	69.3	71%	0.714	36%	0.364	S	S	*	.			trans	-93	153.3	166.9	-57.9	-79.9	0	0	0	109.4
117	P	66.7	Low	91.7	Very high	140 Å²	140	73 Å²	73	91%	0.909	38%	0.376	S	S	*	.			trans	-57.6	0	170.4	-18.9	31.1	0	0	0	112.7	N23	N23-P117 HydrophobicContact CB-CG 4.07Å

Retrieved 117 of 117 residues in 58.6 ms (Link to these results)

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