KV127_HUMAN Loading...

Immunoglobulin kappa variable 1-27

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 A0A075B6S5, Species HUMAN (Homo sapiens, Human), Gene IGKV1-27, Length 117 aa.

						>KV127_HUMAN|A0A075B6S5|IGKV1-27
MDMRVPAQLLGLLLLWLPDTRCDIQMTQSPSSLSASVGDRVTITCRASQGISNYLAWYQQKPGKVPKLLIYAASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDVATYYCQKYNSAP
					

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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	41.5	Very low	57.2	Low	243 Å²	243	137.1 Å²	137.1	100%	1.197	72%	0.724	S	S	*	*				0	96.6	0	-89.6	167.9	158.5	0	0	106.8	M3	M1-M3 PolarHBondContact O-N 3.28Å; M1-M3 VanDerWaalsContact O-N 3.14Å
2	D	49.8	Very low	57.6	Low	169 Å²	169	134.3 Å²	134.3	90%	0.904	71%	0.709	S	S	*	*			trans	-73.1	100.6	174	-76.6	-57.4	0	0	0	108.9	R4	D2-R4 VanDerWaalsContact C-N 3.28Å; D2-R4 PolarHBondContact O-N 2.97Å
3	M	56.2	Low	58.1	Low	183 Å²	183	133.8 Å²	133.8	90%	0.901	71%	0.706	S	S	*	*			trans	-77.1	82.4	175.8	-129.7	176.3	-175.6	0	0	108.2	M1 V5	M1-M3 PolarHBondContact O-N 3.28Å; M1-M3 VanDerWaalsContact O-N 3.14Å; M3-V5 PolarHBondContact O-N 3.23Å; M3-V5 VanDerWaalsContact O-N 3.13Å
4	R	61.5	Low	58.4	Low	238 Å²	238	132.8 Å²	132.8	90%	0.898	70%	0.7	S	S	*	*			trans	-74.2	99.2	173.2	-126.8	179.1	-173.1	169	2.2	108.2	D2 P6	D2-R4 VanDerWaalsContact C-N 3.28Å; D2-R4 PolarHBondContact O-N 2.97Å; R4-P6 WeakPolarHBondContact O-CD 3.46Å
5	V	59.8	Low	58.9	Low	97 Å²	97	133.6 Å²	133.6	59%	0.588	70%	0.704	S	S	*	*			trans	-69.3	124.3	170.7	-177.7	0	0	0	0	108	M3 A7 L9	M3-V5 PolarHBondContact O-N 3.23Å; M3-V5 VanDerWaalsContact O-N 3.13Å; V5-A7 PolarHBondContact O-N 2.87Å; V5-L9 HydrophobicContact CG1-CB 3.99Å
6	P	54.9	Low	59.1	Low	75 Å²	75	137.8 Å²	137.8	49%	0.487	71%	0.708	S	S	.	*			trans	-60.2	135.9	179.6	-21.9	31	0	0	0	111.9	R4 Q8 L9	R4-P6 WeakPolarHBondContact O-CD 3.46Å; P6-Q8 PolarHBondContact O-N 3.27Å; P6-L9 HydrophobicContact CB-CD1 4.35Å; P6-L9 HydrophobicContact CG-CD1 3.98Å; P6-L9 WeakPolarHBondContact O-CB 3.4Å; P6-L9 PolarHBondContact O-N 2.96Å
7	A	65.5	Low	59.5	Low	85 Å²	85	137.1 Å²	137.1	70%	0.702	71%	0.705	S	S	*	*	H	α-helix	trans	-55.3	-25.2	178.9	0	0	0	0	0	114	V5 L10 G11	V5-A7 PolarHBondContact O-N 2.87Å; A7-L10 VanDerWaalsContact O-CB 3.3Å; A7-L10 WeakPolarHBondContact O-CB 3.24Å; A7-L10 PolarHBondContact O-N 2.85Å; A7-G11 PolarHBondContact O-N 3.16Å; A7-G11 VanDerWaalsContact O-N 3.1Å
8	Q	60.7	Low	59.8	Low	164 Å²	164	135.2 Å²	135.2	77%	0.766	70%	0.703	S	S	*	*	H	α-helix	trans	-67.3	-34.4	175.1	-59.9	-152.5	-87.6	0	0	112.9	P6 L10 G11 L12	P6-Q8 PolarHBondContact O-N 3.27Å; Q8-L10 VanDerWaalsContact C-N 3.28Å; Q8-L10 PolarHBondContact O-N 3.49Å; Q8-G11 PolarHBondContact O-N 2.74Å; Q8-L12 PolarHBondContact O-N 3.35Å
9	L	58.6	Low	59.9	Low	107 Å²	107	136.1 Å²	136.1	56%	0.56	71%	0.709	S	S	*	*	H	α-helix	trans	-65.4	-34.4	171.5	-94.3	134.7	0	0	0	111.1	V5 P6 L13	V5-L9 HydrophobicContact CG1-CB 3.99Å; P6-L9 HydrophobicContact CB-CD1 4.35Å; P6-L9 HydrophobicContact CG-CD1 3.98Å; P6-L9 WeakPolarHBondContact O-CB 3.4Å; P6-L9 PolarHBondContact O-N 2.96Å; L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 3.19Å
10	L	58.5	Low	60	Low	109 Å²	109	135.1 Å²	135.1	57%	0.571	71%	0.709	S	S	*	*	H	α-helix	trans	-65.9	-43.5	176.1	-135.9	85	0	0	0	112	A7 Q8 L13 L14	A7-L10 VanDerWaalsContact O-CB 3.3Å; A7-L10 WeakPolarHBondContact O-CB 3.24Å; A7-L10 PolarHBondContact O-N 2.85Å; Q8-L10 VanDerWaalsContact C-N 3.28Å; Q8-L10 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 2.89Å; L10-L14 PolarHBondContact O-N 2.89Å
11	G	62	Low	60.1	Low	38 Å²	38	139.4 Å²	139.4	39%	0.392	72%	0.716	S	S	.	*	H	α-helix	trans	-68.1	-37.6	177.5	0	0	0	0	0	113.3	A7 Q8	A7-G11 PolarHBondContact O-N 3.16Å; A7-G11 VanDerWaalsContact O-N 3.1Å; Q8-G11 PolarHBondContact O-N 2.74Å
12	L	61.9	Low	61.6	Low	104 Å²	104	132.5 Å²	132.5	55%	0.545	69%	0.69	S	S	.	*	H	α-helix	trans	-64.7	-41.1	171.1	-84.9	150.8	0	0	0	111.3	Q8 L14 L15	Q8-L12 PolarHBondContact O-N 3.35Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.35Å; L12-L15 PolarHBondContact O-N 3.46Å
13	L	64.2	Low	63.3	Low	128 Å²	128	127.7 Å²	127.7	67%	0.67	66%	0.664	S	S	*	*	H	α-helix	trans	-64.1	-34	-179.7	-162.9	72.7	0	0	0	113.3	L9 L10 L15 W16	L9-L13 WeakPolarHBondContact O-CB 3.33Å; L9-L13 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 2.89Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 2.96Å; L13-W16 PolarHBondContact O-N 3.04Å
14	L	62.6	Low	65	Low	119 Å²	119	120 Å²	120	62%	0.623	63%	0.627	S	S	*	*	H	α-helix	trans	-69.5	-28	177.8	-74.1	164.6	0	0	0	113.4	L10 L12 W16 L17	L10-L14 PolarHBondContact O-N 2.89Å; L12-L14 VanDerWaalsContact C-N 3.33Å; L12-L14 PolarHBondContact O-N 3.35Å; L14-W16 PolarHBondContact O-N 2.8Å; L14-L17 HydrophobicContact CD2-CD1 4.45Å
15	L	65.7	Low	66.5	Low	145 Å²	145	115 Å²	115	76%	0.759	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-7.2	176.8	-69	167.7	0	0	0	113.3	L12 L13	L12-L15 PolarHBondContact O-N 3.46Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 2.96Å
16	W	62.8	Low	68.3	Low	201 Å²	201	112.7 Å²	112.7	76%	0.761	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	11.4	179.3	-67.5	51.7	0	0	0	112.3	L13 L14 P18	L13-W16 PolarHBondContact O-N 3.04Å; L14-W16 PolarHBondContact O-N 2.8Å; W16-P18 WeakPolarHBondContact O-CD 3.42Å
17	L	66.1	Low	70.4	Confident	126 Å²	126	112.6 Å²	112.6	66%	0.66	60%	0.595	S	S	*	*	S	Bend	trans	-73.2	108.4	163.4	-62.8	174.9	0	0	0	105.8	L14 D19	L14-L17 HydrophobicContact CD2-CD1 4.45Å; L17-D19 PolarHBondContact O-N 2.93Å
18	P	63.3	Low	71.9	Confident	102 Å²	102	111.6 Å²	111.6	66%	0.662	58%	0.576	S	S	*	*			trans	-52.8	136.2	169.7	22.4	-30	0	0	0	106.9	W16 T20	W16-P18 WeakPolarHBondContact O-CD 3.42Å; P18-T20 PolarHBondContact O-N 2.95Å
19	D	61.5	Low	73.7	Confident	153 Å²	153	107 Å²	107	82%	0.818	56%	0.561	S	S	*	*			trans	-47.9	100.5	166.7	-95.8	-44.7	0	0	0	106.5	L17 R21	L17-D19 PolarHBondContact O-N 2.93Å; D19-R21 PolarHBondContact O-N 3.48Å
20	T	62	Low	75.6	Confident	115 Å²	115	104.3 Å²	104.3	71%	0.706	55%	0.55	S	S	*	*			trans	-69.9	91.8	174.6	47	0	0	0	0	103.8	P18 C22	P18-T20 PolarHBondContact O-N 2.95Å; T20-C22 PolarHBondContact O-N 2.92Å
21	R	63.9	Low	77.5	Confident	227 Å²	227	105 Å²	105	86%	0.857	57%	0.565	S	S	*	*			trans	-64.4	94.8	168.9	-65.7	-164.4	179.6	-137.7	0.4	105.5	D19	D19-R21 PolarHBondContact O-N 3.48Å
22	C	72.5	Confident	79.2	Confident	97 Å²	97	108 Å²	108	66%	0.655	58%	0.579	S	S	*	*			trans	-57.6	145.1	171.8	-66.6	0	0	0	0	108.9	T20	T20-C22 PolarHBondContact O-N 2.92Å
23	D	85.2	Confident	80.8	Confident	69 Å²	69	107.7 Å²	107.7	37%	0.369	58%	0.578	S	S	.	*			trans	-57.1	159.6	173.8	-172.1	19.7	0	0	0	111.1	Q25 K112 P117	D23-Q25 PolarHBondContact O-N 2.86Å; D23-Q25 VanDerWaalsContact O-N 3.17Å; D23-K112 VanDerWaalsContact OD1-CE 3.32Å; D23-K112 WeakPolarHBondContact OD1-CE 3.07Å; D23-K112 IonicContact OD1-NZ 3.47Å; D23-K112 PolarHBondContact OD1-NZ 3.37Å; D23-K112 IonicContact OD2-NZ 2.77Å; D23-P117 HydrophobicContact CB-CB 4.38Å; D23-P117 VanDerWaalsContact OD2-CB 3.32Å; D23-P117 WeakPolarHBondContact OD2-CB 3.3Å
24	I	91.4	Very high	82.4	Confident	21 Å²	21	107.5 Å²	107.5	11%	0.108	59%	0.587	C	S	.	*			trans	-68.2	113.2	176.7	-58.6	179.3	0	0	0	108.7	M26 A47 Q49 I51 K112	I24-M26 HydrophobicContact CG2-SD 4.07Å; I24-A47 HydrophobicContact CG2-CB 3.96Å; I24-Q49 HydrophobicContact CD1-CB 4.49Å; I24-Q49 HydrophobicContact CG1-CB 4.42Å; I24-I51 HydrophobicContact CD1-CG2 3.68Å; I24-I51 HydrophobicContact CG2-CG2 4.12Å; I24-K112 HydrophobicContact CB-CD 4.49Å; I24-K112 HydrophobicContact CB-CG 4.45Å; I24-K112 HydrophobicContact CG2-CG 4.49Å
25	Q	94.3	Very high	84.1	Confident	132 Å²	132	104 Å²	104	62%	0.617	58%	0.575	S	S	*	*			trans	-80.2	132.4	177.4	-174.8	-179	-19.2	0	0	110.3	D23 A47 S48	D23-Q25 PolarHBondContact O-N 2.86Å; D23-Q25 VanDerWaalsContact O-N 3.17Å; Q25-A47 CarbonylContact O-C 3.56Å; Q25-A47 WeakPolarHBondContact O-CA 3.23Å; Q25-S48 PolarHBondContact N-OG 2.89Å; Q25-S48 PolarHBondContact O-N 2.9Å
26	M	96.8	Very high	85.7	Confident	50 Å²	50	100.7 Å²	100.7	25%	0.246	57%	0.565	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	130.6	174.3	-52.7	-57.3	-60.4	0	0	109.6	I24 C45 R46 A47 I51 L55 K112	I24-M26 HydrophobicContact CG2-SD 4.07Å; M26-C45 WeakPolarHBondContact CE-SG 3.46Å; M26-R46 CarbonylContact C-O 3.13Å; M26-R46 WeakPolarHBondContact CA-O 3.35Å; M26-A47 HydrophobicContact CE-CB 3.88Å; M26-A47 HydrophobicContact SD-CB 3.73Å; M26-I51 HydrophobicContact CE-CD1 4.14Å; M26-L55 HydrophobicContact CE-CD1 3.57Å; M26-K112 HydrophobicContact CG-CG 4.41Å; M26-K112 HydrophobicContact SD-CB 3.97Å; M26-K112 HydrophobicContact SD-CG 3.9Å
27	T	98.2	Very high	87.4	Confident	72 Å²	72	95.6 Å²	95.6	44%	0.442	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.6	130	178.7	-54.8	0	0	0	0	110.1	C45 R46	T27-C45 CarbonylContact O-C 3.57Å; T27-C45 VanDerWaalsContact O-CA 3.32Å; T27-C45 WeakPolarHBondContact O-CA 3.27Å; T27-R46 PolarHBondContact N-O 3.37Å; T27-R46 PolarHBondContact O-N 2.88Å
28	Q	98.6	Very high	88.9	Confident	65 Å²	65	91.4 Å²	91.4	30%	0.304	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	148.8	-179	-73.5	175.7	-151.2	0	0	112.4	T44 C45 Y108 C110	Q28-T44 VanDerWaalsContact CA-O 3.24Å; Q28-T44 WeakPolarHBondContact CA-O 3.28Å; Q28-C45 HydrophobicContact CG-CB 4.2Å; Q28-Y108 PolarHBondContact NE2-O 2.98Å; Q28-C110 WeakPolarHBondContact CG-SG 3.27Å; Q28-C110 PolarHBondContact OE1-SG 2.76Å
29	S	98.7	Very high	90.6	Very high	66 Å²	66	90 Å²	90	46%	0.462	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	140.9	174	-175.4	0	0	0	0	112.2	T44	S29-T44 PolarHBondContact N-O 3.34Å; S29-T44 PolarHBondContact O-N 3.4Å; S29-T44 PolarHBondContact O-OG1 3.45Å; S29-T44 VanDerWaalsContact O-OG1 3.05Å
30	P	98.5	Very high	92.4	Very high	51 Å²	51	90.9 Å²	90.9	33%	0.331	52%	0.521	S	S	.	.			cis	-74.9	163.4	-6.6	33.3	-36.1	0	0	0	112	L33	P30-L33 HydrophobicContact CG-CB 4.03Å; P30-L33 HydrophobicContact CG-CD1 4.47Å
31	S	96.7	Very high	94.1	Very high	125 Å²	125	86 Å²	86	87%	0.874	49%	0.491	S	S	*	.	S	Bend	trans	-71.9	-30.1	175.2	52.9	0	0	0	0	113.1
32	S	97.7	Very high	95.8	Very high	100 Å²	100	77.8 Å²	77.8	70%	0.699	47%	0.467	S	S	*	.	S	Bend	trans	-147.1	143.1	174.7	59.7	0	0	0	0	109.4
33	L	97	Very high	97	Very high	98 Å²	98	74.1 Å²	74.1	51%	0.513	44%	0.44	S	S	.	.			trans	-138.6	140.9	176.9	-178.4	70.3	0	0	0	109.5	P30 V41	P30-L33 HydrophobicContact CG-CB 4.03Å; P30-L33 HydrophobicContact CG-CD1 4.47Å; L33-V41 HydrophobicContact CD2-CB 4.17Å; L33-V41 HydrophobicContact CD2-CG1 3.49Å; L33-V41 VanDerWaalsContact CD2-CG1 3.49Å; L33-V41 HydrophobicContact CD2-CG2 3.86Å
34	S	97.9	Very high	97.7	Very high	123 Å²	123	73.5 Å²	73.5	86%	0.86	44%	0.439	S	S	*	.			trans	-114.8	133.8	165.4	-58.5	0	0	0	0	108.4
35	A	97.7	Very high	98	Very high	46 Å²	46	72.6 Å²	72.6	38%	0.38	44%	0.435	S	S	.	.			trans	-149.7	158.9	-177.8	0	0	0	0	0	109.4	D39 V41 L100	A35-D39 HydrophobicContact CB-CB 4.13Å; A35-V41 HydrophobicContact CB-CG2 3.8Å; A35-L100 HydrophobicContact CB-CD2 3.84Å
36	S	98.5	Very high	98.2	Very high	76 Å²	76	72.8 Å²	72.8	53%	0.531	43%	0.43	S	S	.	.			trans	-87.4	156.5	178.9	-57.1	0	0	0	0	111.3	G38 D39	S36-G38 PolarHBondContact O-N 3.05Å; S36-D39 WeakPolarHBondContact CB-OD2 3.23Å; S36-D39 PolarHBondContact N-OD2 2.99Å; S36-D39 VanDerWaalsContact O-CB 3.23Å; S36-D39 WeakPolarHBondContact O-CB 3.44Å; S36-D39 PolarHBondContact O-N 3.04Å
37	V	98.5	Very high	98.3	Very high	94 Å²	94	70.5 Å²	70.5	57%	0.57	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	133	171	174.8	0	0	0	0	109.2	D39 L100 P102	V37-D39 VanDerWaalsContact C-N 3.34Å; V37-L100 WeakPolarHBondContact CA-O 3.19Å; V37-P102 HydrophobicContact CG2-CG 4.01Å
38	G	98.6	Very high	98.2	Very high	38 Å²	38	70.4 Å²	70.4	39%	0.392	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-17.6	-175.4	0	0	0	0	0	114.5	S36 L100	S36-G38 PolarHBondContact O-N 3.05Å; G38-L100 PolarHBondContact N-O 2.85Å
39	D	98.6	Very high	98	Very high	73 Å²	73	72.3 Å²	72.3	39%	0.39	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-64.9	150.9	178.5	-72	-10.8	0	0	0	111.6	A35 S36 V37 L100	A35-D39 HydrophobicContact CB-CB 4.13Å; S36-D39 WeakPolarHBondContact CB-OD2 3.23Å; S36-D39 PolarHBondContact N-OD2 2.99Å; S36-D39 VanDerWaalsContact O-CB 3.23Å; S36-D39 WeakPolarHBondContact O-CB 3.44Å; S36-D39 PolarHBondContact O-N 3.04Å; V37-D39 VanDerWaalsContact C-N 3.34Å; D39-L100 WeakPolarHBondContact O-CB 3.35Å; D39-L100 PolarHBondContact O-N 2.83Å
40	R	98.7	Very high	97.9	Very high	170 Å²	170	71.7 Å²	71.7	64%	0.642	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-83.2	119.4	167.2	-179.6	-175.7	173.4	110.7	1.3	109.4	T96 I97	R40-T96 HydrophobicContact CG-CG2 4.23Å; R40-T96 VanDerWaalsContact CZ-CG2 3.41Å; R40-T96 VanDerWaalsContact NH2-CG2 3.34Å; R40-T96 PolarHBondContact NH2-OG1 2.9Å; R40-I97 CarbonylContact C-O 3.55Å; R40-I97 VanDerWaalsContact CA-O 3.31Å; R40-I97 WeakPolarHBondContact CA-O 3.29Å
41	V	98.6	Very high	97.8	Very high	12 Å²	12	69.3 Å²	69.3	7%	0.073	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139	175	169.2	0	0	0	0	110.1	L33 A35 I43 T96 I97 L100	L33-V41 HydrophobicContact CD2-CB 4.17Å; L33-V41 HydrophobicContact CD2-CG1 3.49Å; L33-V41 VanDerWaalsContact CD2-CG1 3.49Å; L33-V41 HydrophobicContact CD2-CG2 3.86Å; A35-V41 HydrophobicContact CB-CG2 3.8Å; V41-I43 HydrophobicContact CG1-CG1 4.32Å; V41-T96 CarbonylContact O-C 3.51Å; V41-T96 WeakPolarHBondContact O-CA 3.46Å; V41-I97 HydrophobicContact CB-CB 4.21Å; V41-I97 HydrophobicContact CB-CD1 4.37Å; V41-I97 HydrophobicContact CB-CG1 4.41Å; V41-I97 HydrophobicContact CG1-CD1 4.36Å; V41-I97 PolarHBondContact N-O 3.07Å; V41-I97 PolarHBondContact O-N 2.76Å; V41-L100 HydrophobicContact CG2-CB 4.44Å; V41-L100 HydrophobicContact CG2-CD1 4.22Å; V41-L100 HydrophobicContact CG2-CD2 4.12Å
42	T	98.7	Very high	97.9	Very high	56 Å²	56	66.7 Å²	66.7	34%	0.344	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.3	175.9	-55.5	0	0	0	0	109.8	T94 L95	T42-T94 HydrophobicContact CG2-CG2 3.29Å; T42-L95 CarbonylContact C-O 3.18Å; T42-L95 WeakPolarHBondContact CA-O 3.38Å
43	I	98.8	Very high	97.9	Very high	20 Å²	20	65 Å²	65	10%	0.103	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.4	174.6	-51.9	178.2	0	0	0	107.5	V41 W57 T94 L95 Y108	V41-I43 HydrophobicContact CG1-CG1 4.32Å; I43-W57 HydrophobicContact CB-CH2 4.39Å; I43-W57 HydrophobicContact CG2-CH2 4.06Å; I43-W57 HydrophobicContact CG2-CZ3 4.09Å; I43-T94 CarbonylContact O-C 3.57Å; I43-T94 WeakPolarHBondContact O-CA 3.21Å; I43-L95 HydrophobicContact CB-CB 4.4Å; I43-L95 HydrophobicContact CD1-CD2 4.36Å; I43-L95 PolarHBondContact N-O 2.99Å; I43-L95 PolarHBondContact O-N 2.92Å; I43-Y108 HydrophobicContact CD1-CD2 3.92Å; I43-Y108 HydrophobicContact CD1-CG 3.98Å
44	T	98.8	Very high	98	Very high	56 Å²	56	65.5 Å²	65.5	34%	0.344	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149.5	177.7	58	0	0	0	0	110.8	Q28 S29 F93	Q28-T44 VanDerWaalsContact CA-O 3.24Å; Q28-T44 WeakPolarHBondContact CA-O 3.28Å; S29-T44 PolarHBondContact N-O 3.34Å; S29-T44 PolarHBondContact O-N 3.4Å; S29-T44 PolarHBondContact O-OG1 3.45Å; S29-T44 VanDerWaalsContact O-OG1 3.05Å; T44-F93 WeakPolarHBondContact CA-O 3.33Å
45	C	98.8	Very high	98	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.014	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.7	171.9	175.7	0	0	0	0	109.5	M26 T27 Q28 W57 F93 C110	M26-C45 WeakPolarHBondContact CE-SG 3.46Å; T27-C45 CarbonylContact O-C 3.57Å; T27-C45 VanDerWaalsContact O-CA 3.32Å; T27-C45 WeakPolarHBondContact O-CA 3.27Å; Q28-C45 HydrophobicContact CG-CB 4.2Å; C45-W57 HydrophobicContact CB-CH2 3.47Å; C45-W57 VanDerWaalsContact CB-CH2 3.47Å; C45-W57 HydrophobicContact CB-CZ2 3.65Å; C45-W57 HydrophobicContact CB-CZ3 4.37Å; C45-F93 HydrophobicContact CB-CB 4.41Å; C45-F93 PolarHBondContact N-O 3.19Å; C45-F93 PolarHBondContact O-N 2.92Å; C45-C110 HydrophobicContact CB-CB 3.51Å; C45-C110 WeakPolarHBondContact CB-SG 3.25Å; C45-C110 WeakPolarHBondContact SG-CB 3.36Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 3.05Å
46	R	98.6	Very high	98	Very high	136 Å²	136	57.5 Å²	57.5	51%	0.513	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.3	178.5	-176.9	174.4	-64.4	113.3	8.7	110.9	M26 T27 T91 D92	M26-R46 CarbonylContact C-O 3.13Å; M26-R46 WeakPolarHBondContact CA-O 3.35Å; T27-R46 PolarHBondContact N-O 3.37Å; T27-R46 PolarHBondContact O-N 2.88Å; R46-T91 CarbonylContact C-O 3.57Å; R46-T91 VanDerWaalsContact CA-O 3.23Å; R46-T91 WeakPolarHBondContact CA-O 3.22Å; R46-D92 IonicContact CZ-OD1 3.31Å; R46-D92 VanDerWaalsContact CZ-OD1 3.31Å; R46-D92 IonicContact NE-OD1 2.81Å; R46-D92 PolarHBondContact NE-OD1 3.42Å; R46-D92 IonicContact NH2-OD1 2.93Å; R46-D92 PolarHBondContact NH2-OD1 3.1Å
47	A	97.5	Very high	98.1	Very high	2 Å²	2	53.9 Å²	53.9	2%	0.017	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	144.1	168	0	0	0	0	0	110.3	I24 Q25 M26 Q49 I51 T91	I24-A47 HydrophobicContact CG2-CB 3.96Å; Q25-A47 CarbonylContact O-C 3.56Å; Q25-A47 WeakPolarHBondContact O-CA 3.23Å; M26-A47 HydrophobicContact CE-CB 3.88Å; M26-A47 HydrophobicContact SD-CB 3.73Å; A47-Q49 VanDerWaalsContact CB-O 3.25Å; A47-Q49 WeakPolarHBondContact CB-O 3.46Å; A47-Q49 PolarHBondContact O-N 3.39Å; A47-I51 HydrophobicContact CB-CD1 4.1Å; A47-I51 HydrophobicContact CB-CG1 4.21Å; A47-I51 HydrophobicContact CB-CG2 4.16Å; A47-T91 PolarHBondContact N-O 2.89Å
48	S	96.2	Very high	98.1	Very high	70 Å²	70	52.2 Å²	52.2	49%	0.49	28%	0.279	S	S	.	.	S	Bend	trans	-69	-16.3	176.3	63	0	0	0	0	113.8	Q25	Q25-S48 PolarHBondContact N-OG 2.89Å; Q25-S48 PolarHBondContact O-N 2.9Å
49	Q	95.2	Very high	98.1	Very high	105 Å²	105	51.8 Å²	51.8	49%	0.491	27%	0.267	S	S	.	.	S	Bend	trans	-141.8	162.6	178.3	-64	179.4	62.2	0	0	109.6	I24 A47 I51	I24-Q49 HydrophobicContact CD1-CB 4.49Å; I24-Q49 HydrophobicContact CG1-CB 4.42Å; A47-Q49 VanDerWaalsContact CB-O 3.25Å; A47-Q49 WeakPolarHBondContact CB-O 3.46Å; A47-Q49 PolarHBondContact O-N 3.39Å; Q49-I51 PolarHBondContact O-N 2.79Å
50	G	96.5	Very high	98.1	Very high	53 Å²	53	51 Å²	51	55%	0.546	26%	0.261	S	S	.	.			trans	-66.2	124.7	179.8	0	0	0	0	0	112.7
51	I	97	Very high	98.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.246	C	C	.	.			trans	-116.3	22.2	178.3	63.9	170.6	0	0	0	112.6	I24 M26 A47 Q49 N53 Y54 L55 G90 F93 K112	I24-I51 HydrophobicContact CD1-CG2 3.68Å; I24-I51 HydrophobicContact CG2-CG2 4.12Å; M26-I51 HydrophobicContact CE-CD1 4.14Å; A47-I51 HydrophobicContact CB-CD1 4.1Å; A47-I51 HydrophobicContact CB-CG1 4.21Å; A47-I51 HydrophobicContact CB-CG2 4.16Å; Q49-I51 PolarHBondContact O-N 2.79Å; I51-N53 PolarHBondContact O-N 2.82Å; I51-Y54 WeakPolarHBondContact O-CB 3.3Å; I51-Y54 VanDerWaalsContact O-CD2 3.25Å; I51-Y54 WeakPolarHBondContact O-CD2 3.32Å; I51-Y54 PolarHBondContact O-N 2.89Å; I51-L55 HydrophobicContact CD1-CB 4.18Å; I51-L55 HydrophobicContact CD1-CD1 3.89Å; I51-G90 WeakPolarHBondContact CG1-O 3.39Å; I51-G90 PolarHBondContact N-O 2.93Å; I51-F93 HydrophobicContact CD1-CE2 3.65Å; I51-F93 HydrophobicContact CD1-CZ 3.85Å; I51-F93 HydrophobicContact CG1-CE2 3.62Å; I51-F93 HydrophobicContact CG1-CZ 3.57Å; I51-K112 HydrophobicContact CD1-CB 3.74Å; I51-K112 HydrophobicContact CG2-CB 4.18Å
52	S	97.8	Very high	98	Very high	69 Å²	69	51.1 Å²	51.1	48%	0.483	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	-120.7	-174.2	-173.3	0	0	0	0	110.8	S89 G90 F93	S52-S89 CarbonylContact O-C 3.57Å; S52-S89 VanDerWaalsContact O-CA 3.27Å; S52-S89 WeakPolarHBondContact O-CA 3.29Å; S52-G90 PolarHBondContact O-N 3.23Å; S52-F93 WeakPolarHBondContact O-CZ 3.31Å
53	N	98.2	Very high	98	Very high	65 Å²	65	52.6 Å²	52.6	35%	0.348	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	16.8	171.3	67.6	-27.1	0	0	0	112.8	I51 L55 A72 A73	I51-N53 PolarHBondContact O-N 2.82Å; N53-L55 PolarHBondContact O-N 3.27Å; N53-A72 CarbonylContact O-C 3.52Å; N53-A72 WeakPolarHBondContact O-CA 3.31Å; N53-A73 HydrophobicContact CB-CB 4.17Å; N53-A73 PolarHBondContact O-N 2.82Å
54	Y	98	Very high	97.9	Very high	108 Å²	108	58.2 Å²	58.2	42%	0.424	33%	0.326	S	S	.	.			trans	-77	51.4	-178.1	-62.3	-77.7	0	0	0	112.7	I51 K112 Y113 N114	I51-Y54 WeakPolarHBondContact O-CB 3.3Å; I51-Y54 VanDerWaalsContact O-CD2 3.25Å; I51-Y54 WeakPolarHBondContact O-CD2 3.32Å; I51-Y54 PolarHBondContact O-N 2.89Å; Y54-K112 VanDerWaalsContact O-CA 3.29Å; Y54-K112 WeakPolarHBondContact O-CA 3.07Å; Y54-Y113 AromaticContact CD1-CD2 4Å; Y54-Y113 HydrophobicContact CD1-CD2 4Å; Y54-Y113 AromaticContact CD1-CE2 3.53Å; Y54-Y113 HydrophobicContact CD1-CE2 3.53Å; Y54-Y113 HydrophobicContact CE1-CE2 4.45Å; Y54-Y113 HydrophobicContact CG-CE2 4.34Å; Y54-Y113 WeakPolarHBondContact O-CD1 3.41Å; Y54-Y113 PolarHBondContact O-N 3.25Å; Y54-N114 HydrophobicContact CD1-CB 4.27Å; Y54-N114 HydrophobicContact CD2-CB 3.52Å; Y54-N114 HydrophobicContact CE2-CB 4.2Å; Y54-N114 HydrophobicContact CG-CB 3.58Å
55	L	98.6	Very high	97.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.4	176.8	-171.1	104.7	0	0	0	110.4	M26 I51 N53 W57 A72 A73 F93 C110 Q111 Y113	M26-L55 HydrophobicContact CE-CD1 3.57Å; I51-L55 HydrophobicContact CD1-CB 4.18Å; I51-L55 HydrophobicContact CD1-CD1 3.89Å; N53-L55 PolarHBondContact O-N 3.27Å; L55-W57 HydrophobicContact CD2-CD2 4.48Å; L55-W57 HydrophobicContact CD2-CG 4.49Å; L55-W57 HydrophobicContact CD2-CZ2 4.3Å; L55-W57 VanDerWaalsContact CD2-NE1 3.3Å; L55-A72 PolarHBondContact O-N 2.82Å; L55-A73 HydrophobicContact CB-CB 4.39Å; L55-A73 PolarHBondContact O-N 3.48Å; L55-F93 HydrophobicContact CB-CD1 3.89Å; L55-F93 HydrophobicContact CB-CE1 3.85Å; L55-F93 HydrophobicContact CB-CE2 4.49Å; L55-F93 HydrophobicContact CB-CG 4.22Å; L55-F93 HydrophobicContact CB-CZ 4.17Å; L55-F93 HydrophobicContact CD1-CB 4.33Å; L55-F93 HydrophobicContact CD1-CD1 4.42Å; L55-F93 HydrophobicContact CD1-CD2 3.72Å; L55-F93 HydrophobicContact CD1-CE2 4.11Å; L55-F93 HydrophobicContact CD1-CG 3.9Å; L55-F93 HydrophobicContact CD2-CB 3.55Å; L55-F93 HydrophobicContact CD2-CD1 3.76Å; L55-F93 HydrophobicContact CD2-CD2 4.32Å; L55-F93 HydrophobicContact CD2-CG 3.61Å; L55-F93 HydrophobicContact CG-CB 4.47Å; L55-F93 HydrophobicContact CG-CD1 4.23Å; L55-F93 HydrophobicContact CG-CD2 4.39Å; L55-F93 HydrophobicContact CG-CG 4.1Å; L55-C110 HydrophobicContact CD1-CB 4.07Å; L55-C110 HydrophobicContact CD2-CB 4.48Å; L55-C110 HydrophobicContact CG-CB 4.45Å; L55-Q111 WeakPolarHBondContact CA-O 3.37Å; L55-Y113 VanDerWaalsContact C-CE1 3.48Å
56	A	98.8	Very high	97.9	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.017	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.5	169.4	0	0	0	0	0	110.7	Y58 L68 I70 C110 Q111 Y113	A56-Y58 HydrophobicContact CB-CD2 4.41Å; A56-Y58 HydrophobicContact CB-CE2 3.56Å; A56-L68 HydrophobicContact CB-CD1 3.81Å; A56-I70 CarbonylContact C-O 3.56Å; A56-I70 WeakPolarHBondContact CA-O 3.31Å; A56-C110 CarbonylContact O-C 3.59Å; A56-C110 VanDerWaalsContact O-CA 3.3Å; A56-C110 WeakPolarHBondContact O-CA 3.19Å; A56-Q111 PolarHBondContact N-O 3.25Å; A56-Q111 PolarHBondContact O-N 3.42Å; A56-Y113 HydrophobicContact CB-CD1 4.07Å; A56-Y113 HydrophobicContact CB-CE1 4.05Å
57	W	98.9	Very high	97.9	Very high	0 Å²	0	64 Å²	64	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.1	168.1	-69.7	99.8	0	0	0	110	I43 C45 L55 L69 I70 L95 Y109 C110	I43-W57 HydrophobicContact CB-CH2 4.39Å; I43-W57 HydrophobicContact CG2-CH2 4.06Å; I43-W57 HydrophobicContact CG2-CZ3 4.09Å; C45-W57 HydrophobicContact CB-CH2 3.47Å; C45-W57 VanDerWaalsContact CB-CH2 3.47Å; C45-W57 HydrophobicContact CB-CZ2 3.65Å; C45-W57 HydrophobicContact CB-CZ3 4.37Å; L55-W57 HydrophobicContact CD2-CD2 4.48Å; L55-W57 HydrophobicContact CD2-CG 4.49Å; L55-W57 HydrophobicContact CD2-CZ2 4.3Å; L55-W57 VanDerWaalsContact CD2-NE1 3.3Å; W57-L69 HydrophobicContact CB-CB 4.44Å; W57-L69 WeakPolarHBondContact O-CA 3.49Å; W57-L69 WeakPolarHBondContact O-CB 3.4Å; W57-L69 PolarHBondContact O-N 3.41Å; W57-I70 HydrophobicContact CB-CB 4.13Å; W57-I70 PolarHBondContact N-O 2.84Å; W57-I70 PolarHBondContact O-N 2.86Å; W57-L95 HydrophobicContact CD2-CB 3.71Å; W57-L95 HydrophobicContact CD2-CD2 4.15Å; W57-L95 HydrophobicContact CD2-CG 4.39Å; W57-L95 HydrophobicContact CE3-CB 3.99Å; W57-L95 HydrophobicContact CE3-CD2 3.91Å; W57-L95 HydrophobicContact CG-CB 4.26Å; W57-L95 HydrophobicContact CG-CD1 4.4Å; W57-L95 HydrophobicContact CG-CD2 4.49Å; W57-L95 HydrophobicContact CH2-CB 3.95Å; W57-L95 HydrophobicContact CZ2-CB 3.7Å; W57-L95 HydrophobicContact CZ3-CB 4.09Å; W57-L95 HydrophobicContact CZ3-CD2 4.35Å; W57-Y109 CarbonylContact C-O 3.54Å; W57-Y109 VanDerWaalsContact CA-O 3.31Å; W57-Y109 WeakPolarHBondContact CA-O 3.39Å; W57-C110 HydrophobicContact CD2-CB 4.13Å; W57-C110 HydrophobicContact CE3-CB 3.81Å; W57-C110 HydrophobicContact CH2-CB 3.96Å; W57-C110 HydrophobicContact CZ2-CB 4.23Å; W57-C110 HydrophobicContact CZ3-CB 3.73Å
58	Y	98.8	Very high	97.9	Very high	58 Å²	58	66.4 Å²	66.4	23%	0.227	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.9	177.1	-62.2	-98.2	0	0	0	110.2	A56 K67 L68 Y108 Y109 Q111	A56-Y58 HydrophobicContact CB-CD2 4.41Å; A56-Y58 HydrophobicContact CB-CE2 3.56Å; Y58-K67 CarbonylContact C-O 3.55Å; Y58-K67 WeakPolarHBondContact CA-O 3.21Å; Y58-L68 HydrophobicContact CD1-CB 4.36Å; Y58-L68 HydrophobicContact CD1-CD1 4.47Å; Y58-L68 HydrophobicContact CE1-CB 4.12Å; Y58-L68 HydrophobicContact CE1-CD1 3.97Å; Y58-L68 HydrophobicContact CE2-CD1 4.45Å; Y58-Y108 VanDerWaalsContact O-CA 3.31Å; Y58-Y108 WeakPolarHBondContact O-CA 3.25Å; Y58-Y109 PolarHBondContact N-O 3.34Å; Y58-Y109 PolarHBondContact O-N 3.49Å; Y58-Q111 HydrophobicContact CD2-CB 4.41Å; Y58-Q111 HydrophobicContact CE2-CB 3.88Å; Y58-Q111 PolarHBondContact OH-OE1 3.49Å
59	Q	98.8	Very high	98.1	Very high	30 Å²	30	63.3 Å²	63.3	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.8	171.1	-174.2	-171.7	53.6	0	0	109.2	K67 L69 A106 Y108	Q59-K67 PolarHBondContact N-O 2.87Å; Q59-K67 PolarHBondContact O-N 2.02Å; Q59-L69 HydrophobicContact CB-CD1 4.44Å; Q59-A106 HydrophobicContact CG-CB 3.43Å; Q59-A106 VanDerWaalsContact CG-CB 3.43Å; Q59-Y108 HydrophobicContact CB-CD1 4.2Å; Q59-Y108 HydrophobicContact CB-CE1 3.94Å; Q59-Y108 HydrophobicContact CG-CD1 4.31Å; Q59-Y108 HydrophobicContact CG-CE1 3.75Å; Q59-Y108 PolarHBondContact NE2-OH 2.92Å
60	Q	98.7	Very high	98.2	Very high	56 Å²	56	58.3 Å²	58.3	26%	0.262	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	109.7	173.7	-170.9	176.4	16.6	0	0	110.5	K64 P66 A106 T107 Y109	Q60-K64 VanDerWaalsContact CG-O 3.24Å; Q60-K64 WeakPolarHBondContact CG-O 3.36Å; Q60-K64 PolarHBondContact NE2-O 3.04Å; Q60-P66 HydrophobicContact CB-CB 4.33Å; Q60-P66 HydrophobicContact CB-CG 4.2Å; Q60-P66 HydrophobicContact CG-CG 4.12Å; Q60-A106 WeakPolarHBondContact O-CA 3.41Å; Q60-A106 WeakPolarHBondContact O-CB 3.39Å; Q60-T107 PolarHBondContact N-O 3.06Å; Q60-T107 PolarHBondContact O-N 2.81Å; Q60-Y109 HydrophobicContact CB-CD2 4.42Å; Q60-Y109 HydrophobicContact CB-CE2 3.79Å; Q60-Y109 VanDerWaalsContact OE1-CE2 3.24Å; Q60-Y109 PolarHBondContact OE1-OH 2.97Å
61	K	98	Very high	98.3	Very high	78 Å²	78	60.4 Å²	60.4	34%	0.339	32%	0.324	S	S	.	.			trans	-76.7	152.8	172.4	-64.8	-172.5	176.1	-165.8	0	110.6	G63 K64 E103 A106	K61-G63 PolarHBondContact O-N 2.84Å; K61-K64 HydrophobicContact CB-CB 4.3Å; K61-K64 HydrophobicContact CB-CG 4.11Å; K61-K64 WeakPolarHBondContact O-CB 3.35Å; K61-K64 PolarHBondContact O-N 2.82Å; K61-E103 WeakPolarHBondContact CE-O 3.4Å; K61-E103 PolarHBondContact NZ-O 2.81Å; K61-A106 HydrophobicContact CG-CB 4.31Å
62	P	97.5	Very high	98.4	Very high	106 Å²	106	61.1 Å²	61.1	69%	0.688	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	128.5	178	-28.6	35.6	0	0	0	112.7	K64	P62-K64 PolarHBondContact O-N 3.05Å
63	G	97.7	Very high	98.4	Very high	87 Å²	87	57.9 Å²	57.9	90%	0.897	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	12.1	-180	0	0	0	0	0	115.5	K61	K61-G63 PolarHBondContact O-N 2.84Å
64	K	98.3	Very high	98.5	Very high	139 Å²	139	58.2 Å²	58.2	60%	0.604	32%	0.315	S	S	*	.	S	Bend	trans	-115	163.4	176.5	-55.4	-59.1	177.9	-171.9	0	110.9	Q60 K61 P62	Q60-K64 VanDerWaalsContact CG-O 3.24Å; Q60-K64 WeakPolarHBondContact CG-O 3.36Å; Q60-K64 PolarHBondContact NE2-O 3.04Å; K61-K64 HydrophobicContact CB-CB 4.3Å; K61-K64 HydrophobicContact CB-CG 4.11Å; K61-K64 WeakPolarHBondContact O-CB 3.35Å; K61-K64 PolarHBondContact O-N 2.82Å; P62-K64 PolarHBondContact O-N 3.05Å
65	V	98.2	Very high	98.5	Very high	106 Å²	106	55.7 Å²	55.7	64%	0.642	31%	0.311	S	S	*	.			trans	-75.9	151.6	171	-61.6	0	0	0	0	110.8
66	P	98.3	Very high	98.5	Very high	62 Å²	62	58.5 Å²	58.5	40%	0.403	33%	0.325	S	S	.	.			trans	-58.4	138.8	171.8	-22.3	33.1	0	0	0	111.7	Q60	Q60-P66 HydrophobicContact CB-CB 4.33Å; Q60-P66 HydrophobicContact CB-CG 4.2Å; Q60-P66 HydrophobicContact CG-CG 4.12Å
67	K	98.6	Very high	98.5	Very high	146 Å²	146	61.9 Å²	61.9	64%	0.635	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.6	174.8	-66.9	-172.9	177.2	-172.7	0	110.5	Y58 Q59 L69	Y58-K67 CarbonylContact C-O 3.55Å; Y58-K67 WeakPolarHBondContact CA-O 3.21Å; Q59-K67 PolarHBondContact N-O 2.87Å; Q59-K67 PolarHBondContact O-N 2.02Å; K67-L69 PolarHBondContact O-N 2.8Å
68	L	98.8	Very high	98.5	Very high	53 Å²	53	67.1 Å²	67.1	28%	0.277	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	127.7	175.8	-177.3	65	0	0	0	110.1	A56 Y58 I70 Y71 Q77	A56-L68 HydrophobicContact CB-CD1 3.81Å; Y58-L68 HydrophobicContact CD1-CB 4.36Å; Y58-L68 HydrophobicContact CD1-CD1 4.47Å; Y58-L68 HydrophobicContact CE1-CB 4.12Å; Y58-L68 HydrophobicContact CE1-CD1 3.97Å; Y58-L68 HydrophobicContact CE2-CD1 4.45Å; L68-I70 WeakPolarHBondContact CD1-O 3.26Å; L68-Y71 HydrophobicContact CD2-CD1 4.48Å; L68-Q77 HydrophobicContact CD2-CB 4.45Å; L68-Q77 HydrophobicContact CD2-CG 4.44Å; L68-Q77 HydrophobicContact CG-CB 4.26Å; L68-Q77 HydrophobicContact CG-CG 4.47Å
69	L	98.8	Very high	98.5	Very high	6 Å²	6	68.4 Å²	68.4	3%	0.031	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-51.3	180	-172.6	75.3	0	0	0	110.7	W57 Q59 K67 Q77 V80 F84 L95 Y108	W57-L69 HydrophobicContact CB-CB 4.44Å; W57-L69 WeakPolarHBondContact O-CA 3.49Å; W57-L69 WeakPolarHBondContact O-CB 3.4Å; W57-L69 PolarHBondContact O-N 3.41Å; Q59-L69 HydrophobicContact CB-CD1 4.44Å; K67-L69 PolarHBondContact O-N 2.8Å; L69-Q77 PolarHBondContact O-N 2.8Å; L69-V80 HydrophobicContact CD1-CB 4.45Å; L69-V80 HydrophobicContact CD1-CG1 3.5Å; L69-V80 HydrophobicContact CD1-CG2 4.03Å; L69-V80 HydrophobicContact CG-CG1 4.16Å; L69-F84 HydrophobicContact CD1-CD1 4.16Å; L69-F84 HydrophobicContact CD1-CD2 4.3Å; L69-F84 HydrophobicContact CD1-CE1 4.31Å; L69-F84 HydrophobicContact CD1-CE2 4.46Å; L69-F84 HydrophobicContact CD1-CG 4.14Å; L69-F84 HydrophobicContact CD1-CZ 4.46Å; L69-F84 HydrophobicContact CD2-CD1 3.79Å; L69-F84 HydrophobicContact CD2-CE1 4.15Å; L69-F84 HydrophobicContact CD2-CG 4.38Å; L69-F84 HydrophobicContact CG-CD1 4.38Å; L69-L95 HydrophobicContact CD2-CD1 3.83Å; L69-L95 HydrophobicContact CD2-CD2 4.11Å; L69-Y108 HydrophobicContact CD2-CD1 4.12Å; L69-Y108 HydrophobicContact CD2-CE1 3.87Å
70	I	98.9	Very high	98.5	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.4	-178.6	-59.4	-177.6	0	0	0	108.3	A56 W57 L68 T75 L76 S85 G86 L95	A56-I70 CarbonylContact C-O 3.56Å; A56-I70 WeakPolarHBondContact CA-O 3.31Å; W57-I70 HydrophobicContact CB-CB 4.13Å; W57-I70 PolarHBondContact N-O 2.84Å; W57-I70 PolarHBondContact O-N 2.86Å; L68-I70 WeakPolarHBondContact CD1-O 3.26Å; I70-T75 CarbonylContact C-O 3.55Å; I70-T75 VanDerWaalsContact CA-O 3.26Å; I70-T75 WeakPolarHBondContact CA-O 3.38Å; I70-T75 WeakPolarHBondContact CG2-O 3.42Å; I70-L76 HydrophobicContact CD1-CD2 4.04Å; I70-L76 HydrophobicContact CG1-CD2 3.81Å; I70-S85 VanDerWaalsContact CD1-C 3.41Å; I70-G86 VanDerWaalsContact CD1-N 3.32Å; I70-L95 HydrophobicContact CD1-CD1 3.66Å
71	Y	98.7	Very high	98.5	Very high	96 Å²	96	68.1 Å²	68.1	38%	0.376	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	168.4	171.2	68.3	-86.6	0	0	0	110.7	L68 A73 S74 T75	L68-Y71 HydrophobicContact CD2-CD1 4.48Å; Y71-A73 PolarHBondContact O-N 2.97Å; Y71-A73 VanDerWaalsContact O-N 3.14Å; Y71-S74 PolarHBondContact O-N 2.77Å; Y71-T75 HydrophobicContact CD1-CG2 4.37Å; Y71-T75 WeakPolarHBondContact CD1-O 3.48Å; Y71-T75 HydrophobicContact CE1-CG2 3.58Å; Y71-T75 HydrophobicContact CE2-CG2 3.81Å; Y71-T75 PolarHBondContact N-O 2.85Å; Y71-T75 WeakPolarHBondContact O-CA 3.39Å; Y71-T75 WeakPolarHBondContact O-CB 3.24Å; Y71-T75 PolarHBondContact O-N 2.85Å; Y71-T75 VanDerWaalsContact OH-CG2 3.24Å; Y71-T75 WeakPolarHBondContact OH-CG2 3.24Å
72	A	98.4	Very high	98.5	Very high	17 Å²	17	69.9 Å²	69.9	14%	0.14	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	37.7	-177	0	0	0	0	0	112.9	N53 L55 S74 Y113	N53-A72 CarbonylContact O-C 3.52Å; N53-A72 WeakPolarHBondContact O-CA 3.31Å; L55-A72 PolarHBondContact O-N 2.82Å; A72-S74 PolarHBondContact O-N 2.89Å; A72-Y113 WeakPolarHBondContact CA-OH 3.37Å; A72-Y113 PolarHBondContact N-OH 3.41Å; A72-Y113 VanDerWaalsContact N-OH 3.1Å
73	A	98.6	Very high	98.5	Very high	1 Å²	1	67 Å²	67	1%	0.008	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-29.7	-174.4	0	0	0	0	0	117.1	N53 L55 Y71 G86 S87 F93	N53-A73 HydrophobicContact CB-CB 4.17Å; N53-A73 PolarHBondContact O-N 2.82Å; L55-A73 HydrophobicContact CB-CB 4.39Å; L55-A73 PolarHBondContact O-N 3.48Å; Y71-A73 PolarHBondContact O-N 2.97Å; Y71-A73 VanDerWaalsContact O-N 3.14Å; A73-G86 CarbonylContact O-C 3.5Å; A73-G86 WeakPolarHBondContact O-CA 3.01Å; A73-S87 PolarHBondContact O-N 3.33Å; A73-F93 HydrophobicContact CB-CD1 3.7Å; A73-F93 HydrophobicContact CB-CE1 3.72Å
74	S	98.7	Very high	98.6	Very high	71 Å²	71	63 Å²	63	50%	0.497	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-7.9	-170.5	61.1	0	0	0	0	115.7	Y71 A72 G86	Y71-S74 PolarHBondContact O-N 2.77Å; A72-S74 PolarHBondContact O-N 2.89Å; S74-G86 WeakPolarHBondContact CA-O 3.35Å; S74-G86 WeakPolarHBondContact CB-O 3.32Å
75	T	98.8	Very high	98.6	Very high	55 Å²	55	59 Å²	59	34%	0.337	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.6	-176.5	-50.1	0	0	0	0	111.3	I70 Y71	I70-T75 CarbonylContact C-O 3.55Å; I70-T75 VanDerWaalsContact CA-O 3.26Å; I70-T75 WeakPolarHBondContact CA-O 3.38Å; I70-T75 WeakPolarHBondContact CG2-O 3.42Å; Y71-T75 HydrophobicContact CD1-CG2 4.37Å; Y71-T75 WeakPolarHBondContact CD1-O 3.48Å; Y71-T75 HydrophobicContact CE1-CG2 3.58Å; Y71-T75 HydrophobicContact CE2-CG2 3.81Å; Y71-T75 PolarHBondContact N-O 2.85Å; Y71-T75 WeakPolarHBondContact O-CA 3.39Å; Y71-T75 WeakPolarHBondContact O-CB 3.24Å; Y71-T75 PolarHBondContact O-N 2.85Å; Y71-T75 VanDerWaalsContact OH-CG2 3.24Å; Y71-T75 WeakPolarHBondContact OH-CG2 3.24Å
76	L	98.8	Very high	98.6	Very high	59 Å²	59	54.5 Å²	54.5	31%	0.309	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.2	177.9	-69.2	166.7	0	0	0	111.1	I70 V80 F84	I70-L76 HydrophobicContact CD1-CD2 4.04Å; I70-L76 HydrophobicContact CG1-CD2 3.81Å; L76-V80 HydrophobicContact CB-CB 4.46Å; L76-V80 HydrophobicContact CD2-CB 4.21Å; L76-V80 HydrophobicContact CD2-CG1 3.62Å; L76-F84 HydrophobicContact CD2-CB 3.81Å; L76-F84 WeakPolarHBondContact CD2-O 3.32Å
77	Q	98.8	Very high	98.7	Very high	73 Å²	73	54.4 Å²	54.4	34%	0.341	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-65.9	149.5	167.1	175.9	59.5	-54.6	0	0	110.2	L68 L69 G79 V80	L68-Q77 HydrophobicContact CD2-CB 4.45Å; L68-Q77 HydrophobicContact CD2-CG 4.44Å; L68-Q77 HydrophobicContact CG-CB 4.26Å; L68-Q77 HydrophobicContact CG-CG 4.47Å; L69-Q77 PolarHBondContact O-N 2.8Å; Q77-G79 PolarHBondContact O-N 3.36Å; Q77-V80 HydrophobicContact CB-CG2 3.95Å; Q77-V80 VanDerWaalsContact O-CB 3.29Å; Q77-V80 WeakPolarHBondContact O-CB 3.42Å; Q77-V80 WeakPolarHBondContact O-CG2 3.01Å; Q77-V80 PolarHBondContact O-N 2.8Å
78	S	98.5	Very high	98.6	Very high	111 Å²	111	49.2 Å²	49.2	78%	0.776	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	132.5	177.8	-58	0	0	0	0	112.1	V80	S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 PolarHBondContact O-N 2.91Å
79	G	98.2	Very high	98.6	Very high	85 Å²	85	50.7 Å²	50.7	88%	0.876	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-2.9	-179.4	0	0	0	0	0	115	Q77	Q77-G79 PolarHBondContact O-N 3.36Å
80	V	98.5	Very high	98.6	Very high	28 Å²	28	51.6 Å²	51.6	17%	0.17	35%	0.348	C	S	.	.			trans	-75.9	129	173.4	178.1	0	0	0	0	109.9	L69 L76 Q77 S78 F84	L69-V80 HydrophobicContact CD1-CB 4.45Å; L69-V80 HydrophobicContact CD1-CG1 3.5Å; L69-V80 HydrophobicContact CD1-CG2 4.03Å; L69-V80 HydrophobicContact CG-CG1 4.16Å; L76-V80 HydrophobicContact CB-CB 4.46Å; L76-V80 HydrophobicContact CD2-CB 4.21Å; L76-V80 HydrophobicContact CD2-CG1 3.62Å; Q77-V80 HydrophobicContact CB-CG2 3.95Å; Q77-V80 VanDerWaalsContact O-CB 3.29Å; Q77-V80 WeakPolarHBondContact O-CB 3.42Å; Q77-V80 WeakPolarHBondContact O-CG2 3.01Å; Q77-V80 PolarHBondContact O-N 2.8Å; S78-V80 VanDerWaalsContact C-N 3.29Å; S78-V80 PolarHBondContact O-N 2.91Å; V80-F84 HydrophobicContact CG1-CB 3.95Å; V80-F84 HydrophobicContact CG1-CD2 3.73Å; V80-F84 HydrophobicContact CG1-CG 4.05Å
81	P	98.6	Very high	98.6	Very high	52 Å²	52	54 Å²	54	34%	0.338	36%	0.363	S	S	.	.			trans	-59	144.6	178.6	-28.3	37.2	0	0	0	113.7	R83 F84	P81-R83 HydrophobicContact CB-CG 3.88Å; P81-R83 PolarHBondContact O-N 3.06Å; P81-F84 HydrophobicContact CB-CD2 4.19Å; P81-F84 HydrophobicContact CB-CE2 4.41Å; P81-F84 HydrophobicContact CG-CD2 4.46Å; P81-F84 HydrophobicContact CG-CE2 4.33Å; P81-F84 WeakPolarHBondContact O-CD2 3.43Å; P81-F84 PolarHBondContact O-N 2.82Å
82	S	98.4	Very high	98.6	Very high	114 Å²	114	52.7 Å²	52.7	80%	0.797	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.1	179.3	57.2	0	0	0	0	114.9	F84	S82-F84 PolarHBondContact O-N 2.85Å
83	R	98.5	Very high	98.6	Very high	46 Å²	46	52 Å²	52	17%	0.174	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22	170.2	62	169.1	-179.4	-86.7	4.4	112.8	P81 I97 S98 S99 E103 D104	P81-R83 HydrophobicContact CB-CG 3.88Å; P81-R83 PolarHBondContact O-N 3.06Å; R83-I97 CarbonylContact O-C 3.49Å; R83-I97 WeakPolarHBondContact O-CA 3.29Å; R83-S98 WeakPolarHBondContact CA-OG 3.43Å; R83-S98 PolarHBondContact O-N 2.89Å; R83-S98 PolarHBondContact O-OG 3.21Å; R83-S99 WeakPolarHBondContact CD-O 3.29Å; R83-E103 IonicContact CZ-OE1 3.61Å; R83-E103 IonicContact NH1-OE1 2.74Å; R83-E103 IonicContact NH2-OE1 3.59Å; R83-E103 PolarHBondContact NH2-OE1 3.14Å; R83-D104 IonicContact CZ-OD1 3.34Å; R83-D104 IonicContact CZ-OD2 2.88Å; R83-D104 IonicContact NE-OD1 3.91Å; R83-D104 PolarHBondContact NE-OD1 3.49Å; R83-D104 IonicContact NE-OD2 2.76Å; R83-D104 PolarHBondContact NE-OD2 2.69Å; R83-D104 IonicContact NH2-OD1 3.48Å; R83-D104 PolarHBondContact NH2-OD1 3.27Å; R83-D104 IonicContact NH2-OD2 3.62Å
84	F	98.9	Very high	98.6	Very high	3 Å²	3	53.6 Å²	53.6	1%	0.013	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.4	172.1	-65.8	-82.4	0	0	0	110	L69 L76 V80 P81 S82 L95 T96 I97 D104 Y108	L69-F84 HydrophobicContact CD1-CD1 4.16Å; L69-F84 HydrophobicContact CD1-CD2 4.3Å; L69-F84 HydrophobicContact CD1-CE1 4.31Å; L69-F84 HydrophobicContact CD1-CE2 4.46Å; L69-F84 HydrophobicContact CD1-CG 4.14Å; L69-F84 HydrophobicContact CD1-CZ 4.46Å; L69-F84 HydrophobicContact CD2-CD1 3.79Å; L69-F84 HydrophobicContact CD2-CE1 4.15Å; L69-F84 HydrophobicContact CD2-CG 4.38Å; L69-F84 HydrophobicContact CG-CD1 4.38Å; L76-F84 HydrophobicContact CD2-CB 3.81Å; L76-F84 WeakPolarHBondContact CD2-O 3.32Å; V80-F84 HydrophobicContact CG1-CB 3.95Å; V80-F84 HydrophobicContact CG1-CD2 3.73Å; V80-F84 HydrophobicContact CG1-CG 4.05Å; P81-F84 HydrophobicContact CB-CD2 4.19Å; P81-F84 HydrophobicContact CB-CE2 4.41Å; P81-F84 HydrophobicContact CG-CD2 4.46Å; P81-F84 HydrophobicContact CG-CE2 4.33Å; P81-F84 WeakPolarHBondContact O-CD2 3.43Å; P81-F84 PolarHBondContact O-N 2.82Å; S82-F84 PolarHBondContact O-N 2.85Å; F84-L95 HydrophobicContact CD1-CD1 4.48Å; F84-T96 CarbonylContact C-O 3.5Å; F84-T96 WeakPolarHBondContact CA-O 3.32Å; F84-I97 HydrophobicContact CD1-CD1 4.37Å; F84-I97 HydrophobicContact CD1-CG1 3.83Å; F84-I97 HydrophobicContact CD1-CG2 4.47Å; F84-I97 HydrophobicContact CE1-CD1 3.71Å; F84-I97 HydrophobicContact CE1-CG1 3.67Å; F84-I97 HydrophobicContact CE1-CG2 4.19Å; F84-D104 HydrophobicContact CZ-CB 4.38Å; F84-D104 VanDerWaalsContact CZ-OD1 3.27Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.44Å; F84-Y108 HydrophobicContact CE1-CE1 4.09Å
85	S	98.9	Very high	98.6	Very high	55 Å²	55	50.2 Å²	50.2	39%	0.385	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	150.3	169.7	59.5	0	0	0	0	111.3	I70 T96	I70-S85 VanDerWaalsContact CD1-C 3.41Å; S85-T96 PolarHBondContact N-O 3.06Å; S85-T96 PolarHBondContact O-N 3.17Å
86	G	98.8	Very high	98.6	Very high	12 Å²	12	47.9 Å²	47.9	12%	0.124	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.8	178	0	0	0	0	0	109.8	I70 A73 S74 T94	I70-G86 VanDerWaalsContact CD1-N 3.32Å; A73-G86 CarbonylContact O-C 3.5Å; A73-G86 WeakPolarHBondContact O-CA 3.01Å; S74-G86 WeakPolarHBondContact CA-O 3.35Å; S74-G86 WeakPolarHBondContact CB-O 3.32Å; G86-T94 CarbonylContact C-O 3.56Å; G86-T94 VanDerWaalsContact CA-O 3.29Å; G86-T94 WeakPolarHBondContact CA-O 3.37Å
87	S	98.7	Very high	98.6	Very high	59 Å²	59	45.2 Å²	45.2	41%	0.413	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	165.2	175.1	66.8	0	0	0	0	111.2	A73 F93 T94	A73-S87 PolarHBondContact O-N 3.33Å; S87-F93 CarbonylContact O-C 3.45Å; S87-F93 VanDerWaalsContact O-CA 3.3Å; S87-F93 WeakPolarHBondContact O-CA 3.36Å; S87-T94 PolarHBondContact N-O 2.77Å; S87-T94 PolarHBondContact O-N 2.83Å
88	G	98.5	Very high	98.6	Very high	38 Å²	38	44.5 Å²	44.5	39%	0.392	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	113.5	166.4	176	0	0	0	0	0	114.1	D92	G88-D92 WeakPolarHBondContact CA-O 3.38Å
89	S	98.2	Very high	98.6	Very high	84 Å²	84	41.3 Å²	41.3	59%	0.587	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.4	166.6	176.6	64.9	0	0	0	0	109.5	S52 T91 D92	S52-S89 CarbonylContact O-C 3.57Å; S52-S89 VanDerWaalsContact O-CA 3.27Å; S52-S89 WeakPolarHBondContact O-CA 3.29Å; S89-T91 PolarHBondContact O-N 3.14Å; S89-D92 PolarHBondContact N-O 3.31Å
90	G	98.1	Very high	98.6	Very high	25 Å²	25	38.4 Å²	38.4	26%	0.258	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	-106.1	-177.6	0	0	0	0	0	110.1	I51 S52	I51-G90 WeakPolarHBondContact CG1-O 3.39Å; I51-G90 PolarHBondContact N-O 2.93Å; S52-G90 PolarHBondContact O-N 3.23Å
91	T	98.3	Very high	98.6	Very high	50 Å²	50	39.8 Å²	39.8	31%	0.307	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-22.7	-174.4	46.5	0	0	0	0	113.9	R46 A47 S89	R46-T91 CarbonylContact C-O 3.57Å; R46-T91 VanDerWaalsContact CA-O 3.23Å; R46-T91 WeakPolarHBondContact CA-O 3.22Å; A47-T91 PolarHBondContact N-O 2.89Å; S89-T91 PolarHBondContact O-N 3.14Å
92	D	98.8	Very high	98.6	Very high	69 Å²	69	41.3 Å²	41.3	37%	0.369	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.6	-166.5	-66.3	-93.9	0	0	0	111.3	R46 G88 S89	R46-D92 IonicContact CZ-OD1 3.31Å; R46-D92 VanDerWaalsContact CZ-OD1 3.31Å; R46-D92 IonicContact NE-OD1 2.81Å; R46-D92 PolarHBondContact NE-OD1 3.42Å; R46-D92 IonicContact NH2-OD1 2.93Å; R46-D92 PolarHBondContact NH2-OD1 3.1Å; G88-D92 WeakPolarHBondContact CA-O 3.38Å; S89-D92 PolarHBondContact N-O 3.31Å
93	F	98.9	Very high	98.6	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.1	-173.8	-57.3	-89.4	0	0	0	111.6	T44 C45 I51 S52 L55 A73 S87	T44-F93 WeakPolarHBondContact CA-O 3.33Å; C45-F93 HydrophobicContact CB-CB 4.41Å; C45-F93 PolarHBondContact N-O 3.19Å; C45-F93 PolarHBondContact O-N 2.92Å; I51-F93 HydrophobicContact CD1-CE2 3.65Å; I51-F93 HydrophobicContact CD1-CZ 3.85Å; I51-F93 HydrophobicContact CG1-CE2 3.62Å; I51-F93 HydrophobicContact CG1-CZ 3.57Å; S52-F93 WeakPolarHBondContact O-CZ 3.31Å; L55-F93 HydrophobicContact CB-CD1 3.89Å; L55-F93 HydrophobicContact CB-CE1 3.85Å; L55-F93 HydrophobicContact CB-CE2 4.49Å; L55-F93 HydrophobicContact CB-CG 4.22Å; L55-F93 HydrophobicContact CB-CZ 4.17Å; L55-F93 HydrophobicContact CD1-CB 4.33Å; L55-F93 HydrophobicContact CD1-CD1 4.42Å; L55-F93 HydrophobicContact CD1-CD2 3.72Å; L55-F93 HydrophobicContact CD1-CE2 4.11Å; L55-F93 HydrophobicContact CD1-CG 3.9Å; L55-F93 HydrophobicContact CD2-CB 3.55Å; L55-F93 HydrophobicContact CD2-CD1 3.76Å; L55-F93 HydrophobicContact CD2-CD2 4.32Å; L55-F93 HydrophobicContact CD2-CG 3.61Å; L55-F93 HydrophobicContact CG-CB 4.47Å; L55-F93 HydrophobicContact CG-CD1 4.23Å; L55-F93 HydrophobicContact CG-CD2 4.39Å; L55-F93 HydrophobicContact CG-CG 4.1Å; A73-F93 HydrophobicContact CB-CD1 3.7Å; A73-F93 HydrophobicContact CB-CE1 3.72Å; S87-F93 CarbonylContact O-C 3.45Å; S87-F93 VanDerWaalsContact O-CA 3.3Å; S87-F93 WeakPolarHBondContact O-CA 3.36Å
94	T	98.9	Very high	98.6	Very high	34 Å²	34	37.9 Å²	37.9	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.4	-179	-60	0	0	0	0	110.6	T42 I43 G86 S87	T42-T94 HydrophobicContact CG2-CG2 3.29Å; I43-T94 CarbonylContact O-C 3.57Å; I43-T94 WeakPolarHBondContact O-CA 3.21Å; G86-T94 CarbonylContact C-O 3.56Å; G86-T94 VanDerWaalsContact CA-O 3.29Å; G86-T94 WeakPolarHBondContact CA-O 3.37Å; S87-T94 PolarHBondContact N-O 2.77Å; S87-T94 PolarHBondContact O-N 2.83Å
95	L	98.9	Very high	98.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.2	162.1	173.9	65.4	0	0	0	108.2	T42 I43 W57 L69 I70 F84 Y108	T42-L95 CarbonylContact C-O 3.18Å; T42-L95 WeakPolarHBondContact CA-O 3.38Å; I43-L95 HydrophobicContact CB-CB 4.4Å; I43-L95 HydrophobicContact CD1-CD2 4.36Å; I43-L95 PolarHBondContact N-O 2.99Å; I43-L95 PolarHBondContact O-N 2.92Å; W57-L95 HydrophobicContact CD2-CB 3.71Å; W57-L95 HydrophobicContact CD2-CD2 4.15Å; W57-L95 HydrophobicContact CD2-CG 4.39Å; W57-L95 HydrophobicContact CE3-CB 3.99Å; W57-L95 HydrophobicContact CE3-CD2 3.91Å; W57-L95 HydrophobicContact CG-CB 4.26Å; W57-L95 HydrophobicContact CG-CD1 4.4Å; W57-L95 HydrophobicContact CG-CD2 4.49Å; W57-L95 HydrophobicContact CH2-CB 3.95Å; W57-L95 HydrophobicContact CZ2-CB 3.7Å; W57-L95 HydrophobicContact CZ3-CB 4.09Å; W57-L95 HydrophobicContact CZ3-CD2 4.35Å; L69-L95 HydrophobicContact CD2-CD1 3.83Å; L69-L95 HydrophobicContact CD2-CD2 4.11Å; I70-L95 HydrophobicContact CD1-CD1 3.66Å; F84-L95 HydrophobicContact CD1-CD1 4.48Å; L95-Y108 HydrophobicContact CD2-CD1 3.49Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.49Å; L95-Y108 HydrophobicContact CD2-CE1 4.01Å; L95-Y108 HydrophobicContact CD2-CG 4.04Å
96	T	98.9	Very high	98.5	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.037	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.3	173.7	-66	0	0	0	0	109.8	R40 V41 F84 S85	R40-T96 HydrophobicContact CG-CG2 4.23Å; R40-T96 VanDerWaalsContact CZ-CG2 3.41Å; R40-T96 VanDerWaalsContact NH2-CG2 3.34Å; R40-T96 PolarHBondContact NH2-OG1 2.9Å; V41-T96 CarbonylContact O-C 3.51Å; V41-T96 WeakPolarHBondContact O-CA 3.46Å; F84-T96 CarbonylContact C-O 3.5Å; F84-T96 WeakPolarHBondContact CA-O 3.32Å; S85-T96 PolarHBondContact N-O 3.06Å; S85-T96 PolarHBondContact O-N 3.17Å
97	I	98.8	Very high	98.5	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.2	163	-44.7	178	0	0	0	105.8	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 3.29Å; V41-I97 HydrophobicContact CB-CB 4.21Å; V41-I97 HydrophobicContact CB-CD1 4.37Å; V41-I97 HydrophobicContact CB-CG1 4.41Å; V41-I97 HydrophobicContact CG1-CD1 4.36Å; V41-I97 PolarHBondContact N-O 3.07Å; V41-I97 PolarHBondContact O-N 2.76Å; R83-I97 CarbonylContact O-C 3.49Å; R83-I97 WeakPolarHBondContact O-CA 3.29Å; F84-I97 HydrophobicContact CD1-CD1 4.37Å; F84-I97 HydrophobicContact CD1-CG1 3.83Å; F84-I97 HydrophobicContact CD1-CG2 4.47Å; F84-I97 HydrophobicContact CE1-CD1 3.71Å; F84-I97 HydrophobicContact CE1-CG1 3.67Å; F84-I97 HydrophobicContact CE1-CG2 4.19Å; I97-L100 HydrophobicContact CD1-CD1 4.09Å; I97-L100 HydrophobicContact CG2-CD1 4.44Å; I97-D104 HydrophobicContact CD1-CB 4.5Å; I97-Y108 HydrophobicContact CD1-CE2 4.35Å
98	S	98.7	Very high	98.5	Very high	59 Å²	59	42.6 Å²	42.6	41%	0.413	27%	0.269	S	S	.	.	S	Bend	trans	-73.6	-28.9	-171.7	62.3	0	0	0	0	113.7	R83	R83-S98 WeakPolarHBondContact CA-OG 3.43Å; R83-S98 PolarHBondContact O-N 2.89Å; R83-S98 PolarHBondContact O-OG 3.21Å
99	S	98.6	Very high	98.5	Very high	44 Å²	44	45.3 Å²	45.3	31%	0.308	27%	0.268	S	S	.	.	S	Bend	trans	-147.9	97.4	176.9	-176.8	0	0	0	0	108.9	R83 Q101	R83-S99 WeakPolarHBondContact CD-O 3.29Å; S99-Q101 PolarHBondContact O-N 3.37Å; S99-Q101 PolarHBondContact O-NE2 3.31Å; S99-Q101 PolarHBondContact OG-NE2 3.3Å
100	L	98.7	Very high	98.5	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.12	24%	0.244	C	C	.	.			trans	-59.6	132.9	-176	-174.6	70.2	0	0	0	111.6	A35 V37 G38 D39 V41 I97 D104	A35-L100 HydrophobicContact CB-CD2 3.84Å; V37-L100 WeakPolarHBondContact CA-O 3.19Å; G38-L100 PolarHBondContact N-O 2.85Å; D39-L100 WeakPolarHBondContact O-CB 3.35Å; D39-L100 PolarHBondContact O-N 2.83Å; V41-L100 HydrophobicContact CG2-CB 4.44Å; V41-L100 HydrophobicContact CG2-CD1 4.22Å; V41-L100 HydrophobicContact CG2-CD2 4.12Å; I97-L100 HydrophobicContact CD1-CD1 4.09Å; I97-L100 HydrophobicContact CG2-CD1 4.44Å; L100-D104 HydrophobicContact CD1-CB 3.67Å
101	Q	98.6	Very high	98.4	Very high	57 Å²	57	44.9 Å²	44.9	27%	0.266	25%	0.252	S	S	.	.			trans	-115.4	158.4	174.6	-58.7	-57.6	-43.4	0	0	111.7	S99 E103 D104	S99-Q101 PolarHBondContact O-N 3.37Å; S99-Q101 PolarHBondContact O-NE2 3.31Å; S99-Q101 PolarHBondContact OG-NE2 3.3Å; Q101-E103 HydrophobicContact CB-CG 4.46Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.21Å; Q101-E103 VanDerWaalsContact CB-OE2 3.23Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.22Å; Q101-E103 PolarHBondContact O-N 3.17Å; Q101-E103 VanDerWaalsContact O-N 3.16Å; Q101-D104 PolarHBondContact N-OD2 2.85Å; Q101-D104 VanDerWaalsContact O-CB 3.29Å; Q101-D104 WeakPolarHBondContact O-CB 3.34Å; Q101-D104 PolarHBondContact O-N 3.13Å
102	P	97.9	Very high	98.4	Very high	84 Å²	84	43.3 Å²	43.3	55%	0.545	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-54.8	-34.2	179	-27	35.7	0	0	0	113.9	V37 D104 V105	V37-P102 HydrophobicContact CG2-CG 4.01Å; P102-D104 PolarHBondContact O-N 3.32Å; P102-V105 WeakPolarHBondContact O-CG2 3.23Å; P102-V105 PolarHBondContact O-N 2.87Å
103	E	97.6	Very high	98.2	Very high	85 Å²	85	44.5 Å²	44.5	40%	0.397	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-73.9	-5.2	178.6	71.6	-85.4	-167.5	0	0	114.8	K61 R83 Q101 V105	K61-E103 WeakPolarHBondContact CE-O 3.4Å; K61-E103 PolarHBondContact NZ-O 2.81Å; R83-E103 IonicContact CZ-OE1 3.61Å; R83-E103 IonicContact NH1-OE1 2.74Å; R83-E103 IonicContact NH2-OE1 3.59Å; R83-E103 PolarHBondContact NH2-OE1 3.14Å; Q101-E103 HydrophobicContact CB-CG 4.46Å; Q101-E103 WeakPolarHBondContact CB-OE1 3.21Å; Q101-E103 VanDerWaalsContact CB-OE2 3.23Å; Q101-E103 WeakPolarHBondContact CB-OE2 3.22Å; Q101-E103 PolarHBondContact O-N 3.17Å; Q101-E103 VanDerWaalsContact O-N 3.16Å; E103-V105 VanDerWaalsContact C-N 3.35Å
104	D	98.3	Very high	97.8	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-88.2	-5.3	179.3	-59.6	-26.2	0	0	0	112.3	R83 F84 I97 L100 Q101 P102 A106 Y108	R83-D104 IonicContact CZ-OD1 3.34Å; R83-D104 IonicContact CZ-OD2 2.88Å; R83-D104 IonicContact NE-OD1 3.91Å; R83-D104 PolarHBondContact NE-OD1 3.49Å; R83-D104 IonicContact NE-OD2 2.76Å; R83-D104 PolarHBondContact NE-OD2 2.69Å; R83-D104 IonicContact NH2-OD1 3.48Å; R83-D104 PolarHBondContact NH2-OD1 3.27Å; R83-D104 IonicContact NH2-OD2 3.62Å; F84-D104 HydrophobicContact CZ-CB 4.38Å; F84-D104 VanDerWaalsContact CZ-OD1 3.27Å; F84-D104 WeakPolarHBondContact CZ-OD1 3.44Å; I97-D104 HydrophobicContact CD1-CB 4.5Å; L100-D104 HydrophobicContact CD1-CB 3.67Å; Q101-D104 PolarHBondContact N-OD2 2.85Å; Q101-D104 VanDerWaalsContact O-CB 3.29Å; Q101-D104 WeakPolarHBondContact O-CB 3.34Å; Q101-D104 PolarHBondContact O-N 3.13Å; P102-D104 PolarHBondContact O-N 3.32Å; D104-A106 PolarHBondContact O-N 2.93Å; D104-Y108 PolarHBondContact O-OH 3.02Å
105	V	97.7	Very high	97.3	Very high	105 Å²	105	48.8 Å²	48.8	64%	0.636	27%	0.267	S	S	*	.			trans	-62.4	105	173.5	178.8	0	0	0	0	109.8	P102 E103	P102-V105 WeakPolarHBondContact O-CG2 3.23Å; P102-V105 PolarHBondContact O-N 2.87Å; E103-V105 VanDerWaalsContact C-N 3.35Å
106	A	98.4	Very high	96.4	Very high	27 Å²	27	52.6 Å²	52.6	22%	0.223	30%	0.298	C	S	.	.	S	Bend	trans	-162.2	166.4	-172.7	0	0	0	0	0	110.9	Q59 Q60 K61 D104 Y108	Q59-A106 HydrophobicContact CG-CB 3.43Å; Q59-A106 VanDerWaalsContact CG-CB 3.43Å; Q60-A106 WeakPolarHBondContact O-CA 3.41Å; Q60-A106 WeakPolarHBondContact O-CB 3.39Å; K61-A106 HydrophobicContact CG-CB 4.31Å; D104-A106 PolarHBondContact O-N 2.93Å; A106-Y108 HydrophobicContact CB-CE2 3.99Å
107	T	98.5	Very high	94.8	Very high	76 Å²	76	59.2 Å²	59.2	47%	0.466	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	137.8	162.2	-49	0	0	0	0	109.2	Q60 Y109	Q60-T107 PolarHBondContact N-O 3.06Å; Q60-T107 PolarHBondContact O-N 2.81Å; 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 3.3Å
108	Y	98.7	Very high	94.6	Very high	20 Å²	20	62.1 Å²	62.1	8%	0.078	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.5	-179.5	-68.2	-92.9	0	0	0	110.7	Q28 I43 Y58 Q59 L69 F84 L95 I97 D104 A106	Q28-Y108 PolarHBondContact NE2-O 2.98Å; I43-Y108 HydrophobicContact CD1-CD2 3.92Å; I43-Y108 HydrophobicContact CD1-CG 3.98Å; Y58-Y108 VanDerWaalsContact O-CA 3.31Å; Y58-Y108 WeakPolarHBondContact O-CA 3.25Å; Q59-Y108 HydrophobicContact CB-CD1 4.2Å; Q59-Y108 HydrophobicContact CB-CE1 3.94Å; Q59-Y108 HydrophobicContact CG-CD1 4.31Å; Q59-Y108 HydrophobicContact CG-CE1 3.75Å; Q59-Y108 PolarHBondContact NE2-OH 2.92Å; L69-Y108 HydrophobicContact CD2-CD1 4.12Å; L69-Y108 HydrophobicContact CD2-CE1 3.87Å; F84-Y108 HydrophobicContact CE1-CE1 4.09Å; L95-Y108 HydrophobicContact CD2-CD1 3.49Å; L95-Y108 VanDerWaalsContact CD2-CD1 3.49Å; L95-Y108 HydrophobicContact CD2-CE1 4.01Å; L95-Y108 HydrophobicContact CD2-CG 4.04Å; I97-Y108 HydrophobicContact CD1-CE2 4.35Å; D104-Y108 PolarHBondContact O-OH 3.02Å; A106-Y108 HydrophobicContact CB-CE2 3.99Å
109	Y	98.5	Very high	94.4	Very high	94 Å²	94	62.2 Å²	62.2	37%	0.369	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.9	-178.6	-55.3	-81.4	0	0	0	110.6	W57 Y58 Q60 T107	W57-Y109 CarbonylContact C-O 3.54Å; W57-Y109 VanDerWaalsContact CA-O 3.31Å; W57-Y109 WeakPolarHBondContact CA-O 3.39Å; Y58-Y109 PolarHBondContact N-O 3.34Å; Y58-Y109 PolarHBondContact O-N 3.49Å; Q60-Y109 HydrophobicContact CB-CD2 4.42Å; Q60-Y109 HydrophobicContact CB-CE2 3.79Å; Q60-Y109 VanDerWaalsContact OE1-CE2 3.24Å; Q60-Y109 PolarHBondContact OE1-OH 2.97Å; 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 3.3Å
110	C	98.4	Very high	94.2	Very high	12 Å²	12	63.2 Å²	63.2	8%	0.081	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.7	165.7	68.1	0	0	0	0	110.2	Q28 C45 L55 A56 W57	Q28-C110 WeakPolarHBondContact CG-SG 3.27Å; Q28-C110 PolarHBondContact OE1-SG 2.76Å; C45-C110 HydrophobicContact CB-CB 3.51Å; C45-C110 WeakPolarHBondContact CB-SG 3.25Å; C45-C110 WeakPolarHBondContact SG-CB 3.36Å; C45-C110 CovalentContact SG-SG 2.02Å; C45-C110 PolarHBondContact SG-SG 3.05Å; L55-C110 HydrophobicContact CD1-CB 4.07Å; L55-C110 HydrophobicContact CD2-CB 4.48Å; L55-C110 HydrophobicContact CG-CB 4.45Å; A56-C110 CarbonylContact O-C 3.59Å; A56-C110 VanDerWaalsContact O-CA 3.3Å; A56-C110 WeakPolarHBondContact O-CA 3.19Å; W57-C110 HydrophobicContact CD2-CB 4.13Å; W57-C110 HydrophobicContact CE3-CB 3.81Å; W57-C110 HydrophobicContact CH2-CB 3.96Å; W57-C110 HydrophobicContact CZ2-CB 4.23Å; W57-C110 HydrophobicContact CZ3-CB 3.73Å
111	Q	97.5	Very high	93.9	Very high	88 Å²	88	65.6 Å²	65.6	41%	0.411	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	133	-179.7	-167.4	-143.4	-56.5	0	0	110.1	L55 A56 Y58	L55-Q111 WeakPolarHBondContact CA-O 3.37Å; A56-Q111 PolarHBondContact N-O 3.25Å; A56-Q111 PolarHBondContact O-N 3.42Å; Y58-Q111 HydrophobicContact CD2-CB 4.41Å; Y58-Q111 HydrophobicContact CE2-CB 3.88Å; Y58-Q111 PolarHBondContact OH-OE1 3.49Å
112	K	96.3	Very high	93.6	Very high	17 Å²	17	66.1 Å²	66.1	7%	0.074	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	147.9	165	62.9	90.8	180	-172.2	0	111	D23 I24 M26 I51 Y54 S115 A116	D23-K112 VanDerWaalsContact OD1-CE 3.32Å; D23-K112 WeakPolarHBondContact OD1-CE 3.07Å; D23-K112 IonicContact OD1-NZ 3.47Å; D23-K112 PolarHBondContact OD1-NZ 3.37Å; D23-K112 IonicContact OD2-NZ 2.77Å; I24-K112 HydrophobicContact CB-CD 4.49Å; I24-K112 HydrophobicContact CB-CG 4.45Å; I24-K112 HydrophobicContact CG2-CG 4.49Å; M26-K112 HydrophobicContact CG-CG 4.41Å; M26-K112 HydrophobicContact SD-CB 3.97Å; M26-K112 HydrophobicContact SD-CG 3.9Å; I51-K112 HydrophobicContact CD1-CB 3.74Å; I51-K112 HydrophobicContact CG2-CB 4.18Å; Y54-K112 VanDerWaalsContact O-CA 3.29Å; Y54-K112 WeakPolarHBondContact O-CA 3.07Å; K112-S115 PolarHBondContact NZ-O 3.1Å; K112-A116 PolarHBondContact NZ-O 3.18Å
113	Y	95.4	Very high	93.3	Very high	95 Å²	95	64.9 Å²	64.9	37%	0.373	37%	0.367	S	S	.	.			trans	-140	14.8	179.1	63	-97.2	0	0	0	115	Y54 L55 A56 A72	Y54-Y113 AromaticContact CD1-CD2 4Å; Y54-Y113 HydrophobicContact CD1-CD2 4Å; Y54-Y113 AromaticContact CD1-CE2 3.53Å; Y54-Y113 HydrophobicContact CD1-CE2 3.53Å; Y54-Y113 HydrophobicContact CE1-CE2 4.45Å; Y54-Y113 HydrophobicContact CG-CE2 4.34Å; Y54-Y113 WeakPolarHBondContact O-CD1 3.41Å; Y54-Y113 PolarHBondContact O-N 3.25Å; L55-Y113 VanDerWaalsContact C-CE1 3.48Å; A56-Y113 HydrophobicContact CB-CD1 4.07Å; A56-Y113 HydrophobicContact CB-CE1 4.05Å; A72-Y113 WeakPolarHBondContact CA-OH 3.37Å; A72-Y113 PolarHBondContact N-OH 3.41Å; A72-Y113 VanDerWaalsContact N-OH 3.1Å
114	N	91.7	Very high	93	Very high	66 Å²	66	63.5 Å²	63.5	35%	0.353	37%	0.365	S	S	.	.	S	Bend	trans	-75.7	-22.4	176.6	60	-36.8	0	0	0	114.3	Y54	Y54-N114 HydrophobicContact CD1-CB 4.27Å; Y54-N114 HydrophobicContact CD2-CB 3.52Å; Y54-N114 HydrophobicContact CE2-CB 4.2Å; Y54-N114 HydrophobicContact CG-CB 3.58Å
115	S	87.1	Confident	92.6	Very high	59 Å²	59	68.1 Å²	68.1	41%	0.413	39%	0.391	S	S	.	.	S	Bend	trans	-150.7	154.8	177.5	72.1	0	0	0	0	111.1	K112	K112-S115 PolarHBondContact NZ-O 3.1Å
116	A	80.6	Confident	92.2	Very high	81 Å²	81	65 Å²	65	67%	0.669	37%	0.371	S	S	*	.			trans	-64.3	157.8	164.6	0	0	0	0	0	110.6	K112	K112-A116 PolarHBondContact NZ-O 3.18Å
117	P	65.7	Low	91.7	Very high	145 Å²	145	68.5 Å²	68.5	94%	0.942	38%	0.384	S	S	*	.			trans	-55.2	0	164.3	-23.4	35.2	0	0	0	113.5	D23	D23-P117 HydrophobicContact CB-CB 4.38Å; D23-P117 VanDerWaalsContact OD2-CB 3.32Å; D23-P117 WeakPolarHBondContact OD2-CB 3.3Å

Retrieved 117 of 117 residues in 58.2 ms (Link to these results)

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