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Immunoglobulin kappa variable 3D-15

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 A0A087WSY6, Species HUMAN (Homo sapiens, Human), Gene IGKV3D-15, Length 115 aa.

						>KVD15_HUMAN|A0A087WSY6|IGKV3D-15
MEAPAQLLFLLLLWLPDTTGEIVMTQSPATLSVSPGERATLSCRASQSVSSNLAWYQQKPGQAPRLLIYGASIRATGIPARFSGSGSGTEFTLTISILQSEDFAVYYCQQYNNWP
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.4	Very low	56	Low	234 Å²	234	127.1 Å²	127.1	100%	1.153	68%	0.68	S	S	*	*				0	84.6	0	-70.1	161.3	105.1	0	0	105.4	A3	M1-A3 PolarHBondContact O-N 2.96Å; M1-A3 VanDerWaalsContact O-N 3.15Å
2	E	51.3	Low	56.4	Low	193 Å²	193	126.8 Å²	126.8	90%	0.902	68%	0.677	S	S	*	*			trans	-78.8	98.3	-178.6	-65.4	-61.6	117.5	0	0	107.6
3	A	55.1	Low	57	Low	87 Å²	87	128 Å²	128	72%	0.719	68%	0.682	S	S	*	*			trans	-69.2	147.3	177.8	0	0	0	0	0	110.3	M1 A5	M1-A3 PolarHBondContact O-N 2.96Å; M1-A3 VanDerWaalsContact O-N 3.15Å; A3-A5 PolarHBondContact O-N 2.99Å; A3-A5 VanDerWaalsContact O-N 3.1Å
4	P	52.8	Low	57.1	Low	77 Å²	77	133.5 Å²	133.5	50%	0.5	69%	0.689	S	S	.	*			trans	-81.1	103.1	-152.7	32	-34	0	0	0	111.7	Q6 L7	P4-Q6 PolarHBondContact O-N 3.3Å; P4-Q6 VanDerWaalsContact O-N 3.13Å; P4-L7 HydrophobicContact CB-CB 4.14Å; P4-L7 HydrophobicContact CG-CB 3.76Å; P4-L7 HydrophobicContact CG-CD2 4.48Å; P4-L7 PolarHBondContact O-N 3.27Å
5	A	62.6	Low	57.3	Low	65 Å²	65	133.5 Å²	133.5	54%	0.537	69%	0.69	S	S	.	*	H	α-helix	trans	-53.9	-27.2	163.3	0	0	0	0	0	112.1	A3 L7 L8 F9	A3-A5 PolarHBondContact O-N 2.99Å; A3-A5 VanDerWaalsContact O-N 3.1Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 3.25Å; A5-L8 PolarHBondContact O-N 3.43Å; A5-F9 PolarHBondContact O-N 3.49Å; A5-F9 VanDerWaalsContact O-N 3.16Å
6	Q	60.3	Low	57.3	Low	158 Å²	158	132.2 Å²	132.2	74%	0.738	69%	0.692	S	S	*	*	H	α-helix	trans	-64.8	-33.7	176	-62.7	-157.6	-91.5	0	0	113.6	P4 F9 L10	P4-Q6 PolarHBondContact O-N 3.3Å; P4-Q6 VanDerWaalsContact O-N 3.13Å; Q6-F9 PolarHBondContact O-N 3.29Å; Q6-L10 WeakPolarHBondContact O-CD1 3.07Å; Q6-L10 WeakPolarHBondContact O-CG 3.27Å; Q6-L10 PolarHBondContact O-N 2.82Å
7	L	56.6	Low	57.3	Low	105 Å²	105	132.8 Å²	132.8	55%	0.55	70%	0.696	S	S	.	*	H	α-helix	trans	-70.2	-36.9	179.8	-160.2	77.2	0	0	0	110.8	P4 A5 L10 L11	P4-L7 HydrophobicContact CB-CB 4.14Å; P4-L7 HydrophobicContact CG-CB 3.76Å; P4-L7 HydrophobicContact CG-CD2 4.48Å; P4-L7 PolarHBondContact O-N 3.27Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 3.25Å; L7-L10 PolarHBondContact O-N 2.76Å; L7-L11 HydrophobicContact CG-CD1 4.32Å; L7-L11 WeakPolarHBondContact O-CB 3.14Å; L7-L11 PolarHBondContact O-N 2.75Å
8	L	57.1	Low	57.2	Low	118 Å²	118	133 Å²	133	62%	0.618	70%	0.704	S	S	*	*	H	α-helix	trans	-64.7	-43.9	174	-80.9	158.4	0	0	0	112.2	A5 L10 L11 L12	A5-L8 PolarHBondContact O-N 3.43Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 2.79Å; L8-L11 PolarHBondContact O-N 3.21Å; L8-L12 PolarHBondContact O-N 3.18Å; L8-L12 VanDerWaalsContact O-N 3.12Å
9	F	59	Low	57.6	Low	150 Å²	150	132.8 Å²	132.8	66%	0.658	71%	0.709	S	S	*	*	H	α-helix	trans	-63	-39.1	175.2	-96.5	-81.2	0	0	0	112.6	A5 Q6	A5-F9 PolarHBondContact O-N 3.49Å; A5-F9 VanDerWaalsContact O-N 3.16Å; Q6-F9 PolarHBondContact O-N 3.29Å
10	L	58.2	Low	58.4	Low	97 Å²	97	128.7 Å²	128.7	51%	0.508	70%	0.699	S	S	.	*	H	α-helix	trans	-66.7	-42.9	174.6	-76.2	160.9	0	0	0	111.5	Q6 L7 L8 L12 L13	Q6-L10 WeakPolarHBondContact O-CD1 3.07Å; Q6-L10 WeakPolarHBondContact O-CG 3.27Å; Q6-L10 PolarHBondContact O-N 2.82Å; L7-L10 PolarHBondContact O-N 2.76Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L10 PolarHBondContact O-N 2.79Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.18Å; L10-L13 PolarHBondContact O-N 3.4Å
11	L	59.8	Low	59.8	Low	114 Å²	114	130.1 Å²	130.1	60%	0.597	70%	0.701	S	S	*	*	H	α-helix	trans	-60.7	-35.8	177.9	-97.4	147.8	0	0	0	113.3	L7 L8 L13 W14	L7-L11 HydrophobicContact CG-CD1 4.32Å; L7-L11 WeakPolarHBondContact O-CB 3.14Å; L7-L11 PolarHBondContact O-N 2.75Å; L8-L11 PolarHBondContact O-N 3.21Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.35Å; L11-W14 PolarHBondContact O-N 3.36Å
12	L	61.1	Low	62.1	Low	124 Å²	124	119.5 Å²	119.5	65%	0.649	65%	0.649	S	S	*	*	H	α-helix	trans	-71.9	-24	177.7	-73.7	165	0	0	0	113.4	L8 L10 W14	L8-L12 PolarHBondContact O-N 3.18Å; L8-L12 VanDerWaalsContact O-N 3.12Å; L10-L12 VanDerWaalsContact C-N 3.32Å; L10-L12 PolarHBondContact O-N 3.18Å; L12-W14 VanDerWaalsContact C-N 3.34Å
13	L	64	Low	64.2	Low	142 Å²	142	114.2 Å²	114.2	74%	0.743	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-7	178	-70.6	167.4	0	0	0	113.5	L10 L11	L10-L13 PolarHBondContact O-N 3.4Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.35Å
14	W	57.8	Low	66.2	Low	205 Å²	205	112.3 Å²	112.3	78%	0.777	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	31.1	173.2	-61.9	105.5	0	0	0	112.7	L11 L12 P16	L11-W14 PolarHBondContact O-N 3.36Å; L12-W14 VanDerWaalsContact C-N 3.34Å; W14-P16 WeakPolarHBondContact O-CD 3.36Å
15	L	60.3	Low	68.3	Low	134 Å²	134	112.9 Å²	112.9	70%	0.702	61%	0.609	S	S	*	*			trans	-76.9	104.7	157.9	-65.1	176.2	0	0	0	105.7	D17	L15-D17 PolarHBondContact O-N 2.89Å
16	P	57.8	Low	70.1	Confident	112 Å²	112	113.4 Å²	113.4	73%	0.727	60%	0.6	S	S	*	*			trans	-54.9	117.2	164.4	22.4	-29.9	0	0	0	105.8	W14 T18	W14-P16 WeakPolarHBondContact O-CD 3.36Å; P16-T18 PolarHBondContact O-N 2.83Å
17	D	56.8	Low	71.9	Confident	142 Å²	142	108.9 Å²	108.9	76%	0.759	59%	0.586	S	S	*	*			trans	-43.7	119.1	163.8	-84.2	-48	0	0	0	105.7	L15 T19	L15-D17 PolarHBondContact O-N 2.89Å; D17-T19 HydrophobicContact CB-CG2 4.16Å; D17-T19 WeakPolarHBondContact O-CG2 3.44Å; D17-T19 PolarHBondContact O-N 2.8Å
18	T	56.8	Low	73.9	Confident	137 Å²	137	106.7 Å²	106.7	84%	0.84	58%	0.578	S	S	*	*			trans	-68	82.7	178.8	50.2	0	0	0	0	106.7	P16 G20	P16-T18 PolarHBondContact O-N 2.83Å; T18-G20 PolarHBondContact O-N 3.05Å
19	T	64.3	Low	75.8	Confident	129 Å²	129	106 Å²	106	79%	0.791	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	24.6	-174.7	46.4	0	0	0	0	112.9	D17	D17-T19 HydrophobicContact CB-CG2 4.16Å; D17-T19 WeakPolarHBondContact O-CG2 3.44Å; D17-T19 PolarHBondContact O-N 2.8Å
20	G	74.3	Confident	77.6	Confident	50 Å²	50	104.5 Å²	104.5	52%	0.515	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	-2.8	-175.7	0	0	0	0	0	115.6	T18	T18-G20 PolarHBondContact O-N 3.05Å
21	E	85.8	Confident	79.5	Confident	159 Å²	159	103.3 Å²	103.3	74%	0.743	59%	0.587	S	S	*	*			trans	-83.6	130.6	-177.4	-169	174.9	-176.5	0	0	112.3	V23	E21-V23 PolarHBondContact O-N 2.72Å
22	I	92.7	Very high	81.2	Confident	11 Å²	11	103.3 Å²	103.3	6%	0.056	60%	0.596	C	S	.	*			trans	-83.2	112	175	-51.2	-169.3	0	0	0	109.2	M24 A45 Q47 V49 Q110 N113	I22-M24 HydrophobicContact CG2-SD 3.98Å; I22-A45 HydrophobicContact CG2-CB 4.01Å; I22-Q47 HydrophobicContact CB-CG 4.27Å; I22-Q47 HydrophobicContact CD1-CG 3.66Å; I22-Q47 HydrophobicContact CG1-CG 3.61Å; I22-Q47 HydrophobicContact CG2-CG 3.98Å; I22-V49 HydrophobicContact CD1-CG1 3.7Å; I22-V49 HydrophobicContact CG2-CG1 3.83Å; I22-Q110 HydrophobicContact CB-CG 3.97Å; I22-Q110 HydrophobicContact CD1-CG 4.43Å; I22-Q110 HydrophobicContact CG2-CG 3.87Å; I22-N113 HydrophobicContact CD1-CB 3.83Å; I22-N113 HydrophobicContact CG1-CB 4.45Å
23	V	95	Very high	82.9	Confident	83 Å²	83	99.3 Å²	99.3	50%	0.503	58%	0.577	S	S	.	*			trans	-87.9	131.4	179	-178.5	0	0	0	0	109.8	E21 A45 S46	E21-V23 PolarHBondContact O-N 2.72Å; V23-A45 CarbonylContact O-C 3.55Å; V23-A45 WeakPolarHBondContact O-CA 3.36Å; V23-S46 PolarHBondContact N-OG 3.02Å; V23-S46 PolarHBondContact O-N 3.09Å
24	M	97	Very high	84.5	Confident	46 Å²	46	95.8 Å²	95.8	23%	0.227	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.1	128.4	177.1	-53.1	-55.7	-60.6	0	0	110.4	I22 C43 R44 A45 L53 Q110	I22-M24 HydrophobicContact CG2-SD 3.98Å; M24-C43 WeakPolarHBondContact CE-SG 3.3Å; M24-R44 CarbonylContact C-O 3.57Å; M24-R44 WeakPolarHBondContact CA-O 3.49Å; M24-A45 HydrophobicContact CE-CB 3.78Å; M24-A45 HydrophobicContact SD-CB 3.66Å; M24-L53 HydrophobicContact CE-CD1 3.62Å; M24-Q110 HydrophobicContact CE-CB 4.33Å; M24-Q110 HydrophobicContact CG-CG 4.39Å; M24-Q110 HydrophobicContact SD-CB 3.77Å; M24-Q110 HydrophobicContact SD-CG 3.72Å
25	T	98.4	Very high	86.4	Confident	90 Å²	90	90.9 Å²	90.9	55%	0.552	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117.5	131.9	177.4	-55.7	0	0	0	0	110	C43 R44	T25-C43 CarbonylContact O-C 3.53Å; T25-C43 WeakPolarHBondContact O-CA 3.45Å; T25-R44 PolarHBondContact N-O 2.9Å; T25-R44 PolarHBondContact O-N 3.41Å
26	Q	98.6	Very high	88.3	Confident	75 Å²	75	86.9 Å²	86.9	35%	0.35	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	148.6	-179.5	-54	-168.3	136.9	0	0	112.3	S42 Y106 Y107 C108	Q26-S42 CarbonylContact C-O 3.57Å; Q26-S42 VanDerWaalsContact CA-O 3.27Å; Q26-S42 WeakPolarHBondContact CA-O 3.25Å; Q26-Y106 PolarHBondContact NE2-O 3.39Å; Q26-Y106 VanDerWaalsContact NE2-O 3.09Å; Q26-Y107 VanDerWaalsContact OE1-CA 3.3Å; Q26-C108 PolarHBondContact OE1-SG 2.88Å
27	S	98.6	Very high	90.2	Very high	63 Å²	63	86.4 Å²	86.4	44%	0.441	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	149.2	172.3	64.3	0	0	0	0	113.1	S42	S27-S42 PolarHBondContact N-O 3.01Å; S27-S42 PolarHBondContact O-N 2.92Å
28	P	98.4	Very high	92.2	Very high	60 Å²	60	88 Å²	88	39%	0.39	53%	0.533	S	S	.	.			cis	-69.8	163.2	-15.2	33.4	-37.1	0	0	0	111.7	T30 L31	P28-T30 VanDerWaalsContact C-N 3.27Å; P28-T30 PolarHBondContact O-N 3.47Å; P28-L31 HydrophobicContact CG-CB 4.01Å; P28-L31 HydrophobicContact CG-CD1 4.12Å
29	A	96.9	Very high	94.2	Very high	104 Å²	104	81.8 Å²	81.8	86%	0.86	50%	0.496	S	S	*	.	S	Bend	trans	-67.6	-28.5	176.9	0	0	0	0	0	112.9
30	T	97.5	Very high	95.8	Very high	118 Å²	118	78.4 Å²	78.4	72%	0.724	48%	0.475	S	S	*	.	S	Bend	trans	-142.5	136.4	174	-58.7	0	0	0	0	108.1	P28	P28-T30 VanDerWaalsContact C-N 3.27Å; P28-T30 PolarHBondContact O-N 3.47Å
31	L	97	Very high	97	Very high	71 Å²	71	77.2 Å²	77.2	37%	0.372	46%	0.457	S	S	.	.			trans	-126.4	131	179.5	-176.1	60	0	0	0	108.5	P28 V33 A39 L41	P28-L31 HydrophobicContact CG-CB 4.01Å; P28-L31 HydrophobicContact CG-CD1 4.12Å; L31-V33 HydrophobicContact CD1-CG2 3.64Å; L31-V33 HydrophobicContact CD2-CG2 4.1Å; L31-V33 HydrophobicContact CG-CG2 3.67Å; L31-A39 HydrophobicContact CD2-CB 3.79Å; L31-L41 HydrophobicContact CB-CD2 4.43Å; L31-L41 HydrophobicContact CD2-CD2 4.11Å
32	S	97.3	Very high	97.6	Very high	115 Å²	115	72 Å²	72	80%	0.804	44%	0.438	S	S	*	.			trans	-126	115	174.5	-64.9	0	0	0	0	107.8
33	V	96.7	Very high	97.9	Very high	40 Å²	40	71.6 Å²	71.6	24%	0.242	44%	0.436	C	S	.	.			trans	-139.1	143.6	-171.2	169.1	0	0	0	0	107	L31 E37 L98	L31-V33 HydrophobicContact CD1-CG2 3.64Å; L31-V33 HydrophobicContact CD2-CG2 4.1Å; L31-V33 HydrophobicContact CG-CG2 3.67Å; V33-E37 HydrophobicContact CG1-CB 3.46Å; V33-E37 VanDerWaalsContact CG1-CB 3.46Å; V33-E37 HydrophobicContact CG1-CG 4.48Å; V33-E37 WeakPolarHBondContact CG1-OE2 3.32Å; V33-L98 HydrophobicContact CB-CD2 3.82Å; V33-L98 HydrophobicContact CG1-CD2 3.85Å; V33-L98 WeakPolarHBondContact O-CD2 3.41Å
34	S	97.7	Very high	98	Very high	67 Å²	67	75 Å²	75	47%	0.469	44%	0.44	S	S	.	.			trans	-76.6	149.1	-177.1	-54.9	0	0	0	0	110.9	G36 E37	S34-G36 PolarHBondContact O-N 2.85Å; S34-E37 WeakPolarHBondContact CB-OE2 3.36Å; S34-E37 PolarHBondContact N-OE2 2.85Å; S34-E37 VanDerWaalsContact O-CB 3.31Å; S34-E37 WeakPolarHBondContact O-CB 3.29Å; S34-E37 PolarHBondContact O-N 2.98Å; S34-E37 VanDerWaalsContact O-N 3.09Å
35	P	97.8	Very high	98.1	Very high	103 Å²	103	72.9 Å²	72.9	67%	0.669	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	138.1	171.9	-26.2	35	0	0	0	111.9	E37 L98	P35-E37 VanDerWaalsContact C-N 3.3Å; P35-L98 WeakPolarHBondContact CA-O 3.07Å
36	G	98.3	Very high	98	Very high	49 Å²	49	72.2 Å²	72.2	51%	0.505	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-18.6	-175.4	0	0	0	0	0	114.6	S34 L98	S34-G36 PolarHBondContact O-N 2.85Å; G36-L98 PolarHBondContact N-O 2.84Å
37	E	98.5	Very high	97.8	Very high	102 Å²	102	72.3 Å²	72.3	48%	0.477	43%	0.429	S	S	.	.	S	Bend	trans	-83.6	166.4	176.9	-62.2	-178.5	150.6	0	0	112	V33 S34 P35 L98	V33-E37 HydrophobicContact CG1-CB 3.46Å; V33-E37 VanDerWaalsContact CG1-CB 3.46Å; V33-E37 HydrophobicContact CG1-CG 4.48Å; V33-E37 WeakPolarHBondContact CG1-OE2 3.32Å; S34-E37 WeakPolarHBondContact CB-OE2 3.36Å; S34-E37 PolarHBondContact N-OE2 2.85Å; S34-E37 VanDerWaalsContact O-CB 3.31Å; S34-E37 WeakPolarHBondContact O-CB 3.29Å; S34-E37 PolarHBondContact O-N 2.98Å; S34-E37 VanDerWaalsContact O-N 3.09Å; P35-E37 VanDerWaalsContact C-N 3.3Å; E37-L98 VanDerWaalsContact O-CB 3.29Å; E37-L98 WeakPolarHBondContact O-CB 3.41Å; E37-L98 PolarHBondContact O-N 2.82Å
38	R	98.6	Very high	97.7	Very high	175 Å²	175	72.7 Å²	72.7	66%	0.66	43%	0.432	S	S	*	.			trans	-84.6	131.3	175.8	179.1	-178.1	-63.7	160	0.7	110.2	T94 I95	R38-T94 HydrophobicContact CG-CG2 3.96Å; R38-I95 WeakPolarHBondContact CA-O 3.28Å
39	A	98.5	Very high	97.7	Very high	7 Å²	7	69.9 Å²	69.9	6%	0.058	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.3	169	0	0	0	0	0	110.5	L31 T94 I95 L98	L31-A39 HydrophobicContact CD2-CB 3.79Å; A39-T94 WeakPolarHBondContact O-CA 3.44Å; A39-I95 HydrophobicContact CB-CB 4.26Å; A39-I95 HydrophobicContact CB-CD1 4.42Å; A39-I95 HydrophobicContact CB-CG1 4.49Å; A39-I95 PolarHBondContact N-O 3.43Å; A39-I95 PolarHBondContact O-N 3.01Å; A39-L98 HydrophobicContact CB-CD1 4.16Å
40	T	98.6	Very high	97.7	Very high	58 Å²	58	68 Å²	68	36%	0.356	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.5	179.5	-57	0	0	0	0	109.7	T92 L93	T40-T92 HydrophobicContact CG2-CG2 3.27Å; T40-L93 CarbonylContact C-O 3.47Å; T40-L93 WeakPolarHBondContact CA-O 3.27Å
41	L	98.8	Very high	97.7	Very high	26 Å²	26	64.9 Å²	64.9	14%	0.136	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.5	172.4	-61.7	174.5	0	0	0	108.9	L31 W55 T92 L93 Y106	L31-L41 HydrophobicContact CB-CD2 4.43Å; L31-L41 HydrophobicContact CD2-CD2 4.11Å; L41-W55 HydrophobicContact CB-CH2 4Å; L41-W55 HydrophobicContact CB-CZ3 4.27Å; L41-T92 CarbonylContact O-C 3.48Å; L41-T92 VanDerWaalsContact O-CA 3.29Å; L41-T92 WeakPolarHBondContact O-CA 3.32Å; L41-T92 WeakPolarHBondContact O-CG2 3.49Å; L41-L93 HydrophobicContact CB-CB 4.41Å; L41-L93 HydrophobicContact CD1-CD2 4.34Å; L41-L93 PolarHBondContact N-O 2.87Å; L41-L93 PolarHBondContact O-N 3.07Å; L41-Y106 HydrophobicContact CD1-CD2 4.01Å; L41-Y106 HydrophobicContact CD1-CG 3.8Å
42	S	98.8	Very high	97.7	Very high	49 Å²	49	63.8 Å²	63.8	34%	0.343	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.9	175.6	-61.6	0	0	0	0	110.3	Q26 S27 F91	Q26-S42 CarbonylContact C-O 3.57Å; Q26-S42 VanDerWaalsContact CA-O 3.27Å; Q26-S42 WeakPolarHBondContact CA-O 3.25Å; S27-S42 PolarHBondContact N-O 3.01Å; S27-S42 PolarHBondContact O-N 2.92Å; S42-F91 CarbonylContact C-O 3.58Å; S42-F91 WeakPolarHBondContact CA-O 3.48Å
43	C	98.7	Very high	97.7	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.02	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	130.7	173.1	175.6	0	0	0	0	109.7	M24 T25 W55 F91 C108	M24-C43 WeakPolarHBondContact CE-SG 3.3Å; T25-C43 CarbonylContact O-C 3.53Å; T25-C43 WeakPolarHBondContact O-CA 3.45Å; C43-W55 HydrophobicContact CB-CH2 3.52Å; C43-W55 HydrophobicContact CB-CZ2 3.45Å; C43-W55 VanDerWaalsContact CB-CZ2 3.45Å; C43-W55 HydrophobicContact CB-CZ3 4.5Å; C43-F91 HydrophobicContact CB-CB 4.37Å; C43-F91 PolarHBondContact N-O 3.08Å; C43-F91 PolarHBondContact O-N 3.28Å; C43-C108 HydrophobicContact CB-CB 3.51Å; C43-C108 WeakPolarHBondContact CB-SG 3.48Å; C43-C108 WeakPolarHBondContact SG-CB 3.47Å; C43-C108 CovalentContact SG-SG 2.01Å; C43-C108 PolarHBondContact SG-SG 3.43Å
44	R	98.6	Very high	97.8	Very high	154 Å²	154	56.5 Å²	56.5	58%	0.581	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.8	179.7	-174.8	177.5	177.5	-179.9	1.8	110.8	M24 T25 T89 E90	M24-R44 CarbonylContact C-O 3.57Å; M24-R44 WeakPolarHBondContact CA-O 3.49Å; T25-R44 PolarHBondContact N-O 2.9Å; T25-R44 PolarHBondContact O-N 3.41Å; R44-T89 CarbonylContact C-O 3.47Å; R44-T89 WeakPolarHBondContact CA-O 3.36Å; R44-E90 HydrophobicContact CG-CG 4.49Å
45	A	97.5	Very high	97.9	Very high	2 Å²	2	53.3 Å²	53.3	2%	0.017	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	146.1	169.7	0	0	0	0	0	110.8	I22 V23 M24 Q47 V49 T89	I22-A45 HydrophobicContact CG2-CB 4.01Å; V23-A45 CarbonylContact O-C 3.55Å; V23-A45 WeakPolarHBondContact O-CA 3.36Å; M24-A45 HydrophobicContact CE-CB 3.78Å; M24-A45 HydrophobicContact SD-CB 3.66Å; A45-Q47 WeakPolarHBondContact CB-O 3.27Å; A45-Q47 PolarHBondContact O-N 3.09Å; A45-V49 HydrophobicContact CB-CG1 3.98Å; A45-V49 HydrophobicContact CB-CG2 4.26Å; A45-T89 PolarHBondContact N-O 3.01Å
46	S	96.6	Very high	97.9	Very high	76 Å²	76	51.3 Å²	51.3	53%	0.531	28%	0.28	S	S	.	.	S	Bend	trans	-65.4	-24.4	175.5	59.2	0	0	0	0	113.4	V23	V23-S46 PolarHBondContact N-OG 3.02Å; V23-S46 PolarHBondContact O-N 3.09Å
47	Q	95.3	Very high	98	Very high	77 Å²	77	49.8 Å²	49.8	36%	0.36	26%	0.26	S	S	.	.	S	Bend	trans	-143.2	166.6	176.7	62.7	-174.9	63.7	0	0	110.2	I22 A45 V49 T89	I22-Q47 HydrophobicContact CB-CG 4.27Å; I22-Q47 HydrophobicContact CD1-CG 3.66Å; I22-Q47 HydrophobicContact CG1-CG 3.61Å; I22-Q47 HydrophobicContact CG2-CG 3.98Å; A45-Q47 WeakPolarHBondContact CB-O 3.27Å; A45-Q47 PolarHBondContact O-N 3.09Å; Q47-V49 PolarHBondContact O-N 3.41Å; Q47-T89 VanDerWaalsContact C-CG2 3.46Å
48	S	96.3	Very high	98	Very high	71 Å²	71	47.7 Å²	47.7	50%	0.497	25%	0.25	S	C	.	.			trans	-61.3	129.5	-178.6	-178.5	0	0	0	0	111.6	S50 G88	S48-S50 PolarHBondContact OG-N 2.86Å; S48-G88 WeakPolarHBondContact CA-O 3.27Å; S48-G88 WeakPolarHBondContact OG-CA 3.26Å
49	V	96.9	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.23	C	C	.	.			trans	-113	18.4	172.4	-60.2	0	0	0	0	111.2	I22 A45 Q47 S51 N52 G88 F91 Q110 N112	I22-V49 HydrophobicContact CD1-CG1 3.7Å; I22-V49 HydrophobicContact CG2-CG1 3.83Å; A45-V49 HydrophobicContact CB-CG1 3.98Å; A45-V49 HydrophobicContact CB-CG2 4.26Å; Q47-V49 PolarHBondContact O-N 3.41Å; V49-S51 PolarHBondContact O-N 2.77Å; V49-N52 WeakPolarHBondContact O-CA 3.38Å; V49-N52 VanDerWaalsContact O-CB 3.27Å; V49-N52 WeakPolarHBondContact O-CB 3.31Å; V49-N52 PolarHBondContact O-N 2.82Å; V49-G88 WeakPolarHBondContact CG2-O 3.25Å; V49-G88 PolarHBondContact N-O 2.88Å; V49-F91 HydrophobicContact CG2-CE2 3.48Å; V49-F91 VanDerWaalsContact CG2-CE2 3.48Å; V49-F91 HydrophobicContact CG2-CZ 3.43Å; V49-F91 VanDerWaalsContact CG2-CZ 3.43Å; V49-Q110 HydrophobicContact CB-CB 4.02Å; V49-Q110 HydrophobicContact CG1-CB 3.57Å; V49-Q110 HydrophobicContact CG1-CG 3.97Å; V49-Q110 HydrophobicContact CG2-CB 4.24Å; V49-N112 HydrophobicContact CB-CB 3.69Å; V49-N112 HydrophobicContact CG1-CB 4.02Å
50	S	97	Very high	97.8	Very high	66 Å²	66	46.3 Å²	46.3	46%	0.462	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	-123	-173.8	-173	0	0	0	0	110.7	S48 S87 G88 F91	S48-S50 PolarHBondContact OG-N 2.86Å; S50-S87 CarbonylContact O-C 3.54Å; S50-S87 WeakPolarHBondContact O-CA 3.3Å; S50-G88 PolarHBondContact O-N 2.91Å; S50-F91 WeakPolarHBondContact O-CZ 3.41Å
51	S	98	Very high	97.8	Very high	51 Å²	51	48 Å²	48	36%	0.357	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	10.2	168.9	55.8	0	0	0	0	113.1	V49 L53 G70 A71	V49-S51 PolarHBondContact O-N 2.77Å; S51-L53 PolarHBondContact O-N 2.83Å; S51-G70 CarbonylContact O-C 3.57Å; S51-G70 WeakPolarHBondContact O-CA 3.4Å; S51-A71 PolarHBondContact O-N 3.26Å; S51-A71 VanDerWaalsContact O-N 3.13Å
52	N	97.6	Very high	97.7	Very high	48 Å²	48	52.4 Å²	52.4	26%	0.257	31%	0.306	S	S	.	.			trans	-79.7	61.1	-174.5	-64.2	-36.4	0	0	0	112	V49 Q110 Y111 N112	V49-N52 WeakPolarHBondContact O-CA 3.38Å; V49-N52 VanDerWaalsContact O-CB 3.27Å; V49-N52 WeakPolarHBondContact O-CB 3.31Å; V49-N52 PolarHBondContact O-N 2.82Å; N52-Q110 CarbonylContact O-C 3.54Å; N52-Q110 VanDerWaalsContact O-CA 3.29Å; N52-Q110 WeakPolarHBondContact O-CA 2.94Å; N52-Y111 VanDerWaalsContact C-CE1 3.44Å; N52-Y111 VanDerWaalsContact CA-CZ 3.43Å; N52-Y111 HydrophobicContact CB-CD2 3.61Å; N52-Y111 HydrophobicContact CB-CE1 4.47Å; N52-Y111 HydrophobicContact CB-CE2 3.45Å; N52-Y111 VanDerWaalsContact CB-CE2 3.45Å; N52-Y111 HydrophobicContact CB-CG 4.18Å; N52-Y111 PolarHBondContact O-N 3.15Å; N52-Y111 VanDerWaalsContact OD1-CE2 3.26Å; N52-Y111 WeakPolarHBondContact OD1-CE2 3.49Å; N52-N112 HydrophobicContact CB-CB 3.81Å; N52-N112 PolarHBondContact ND2-OD1 3.13Å
53	L	98.2	Very high	97.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.4	176.4	-175.6	135.6	0	0	0	110.7	M24 S51 W55 Y69 G70 A71 F91 C108 Q109	M24-L53 HydrophobicContact CE-CD1 3.62Å; S51-L53 PolarHBondContact O-N 2.83Å; L53-W55 HydrophobicContact CD2-CG 4.28Å; L53-Y69 CarbonylContact O-C 3.59Å; L53-G70 PolarHBondContact O-N 2.96Å; L53-G70 VanDerWaalsContact O-N 3.17Å; L53-A71 PolarHBondContact O-N 3.47Å; L53-F91 HydrophobicContact CB-CD1 3.97Å; L53-F91 HydrophobicContact CB-CE1 3.9Å; L53-F91 HydrophobicContact CB-CE2 4.47Å; L53-F91 HydrophobicContact CB-CG 4.3Å; L53-F91 HydrophobicContact CB-CZ 4.17Å; L53-F91 HydrophobicContact CD1-CB 3.98Å; L53-F91 HydrophobicContact CD1-CD1 4.14Å; L53-F91 HydrophobicContact CD1-CD2 3.46Å; L53-F91 VanDerWaalsContact CD1-CD2 3.46Å; L53-F91 HydrophobicContact CD1-CE2 3.93Å; L53-F91 HydrophobicContact CD1-CG 3.58Å; L53-F91 HydrophobicContact CD1-CZ 4.45Å; L53-F91 HydrophobicContact CD2-CB 4.12Å; L53-F91 HydrophobicContact CD2-CD1 4.23Å; L53-F91 HydrophobicContact CD2-CG 4.16Å; L53-F91 HydrophobicContact CG-CD1 4.32Å; L53-F91 HydrophobicContact CG-CD2 4.45Å; L53-F91 HydrophobicContact CG-CG 4.21Å; L53-C108 HydrophobicContact CD1-CB 4.15Å; L53-C108 HydrophobicContact CD2-CB 4.37Å; L53-C108 HydrophobicContact CG-CB 4.5Å; L53-Q109 WeakPolarHBondContact CA-O 3.4Å
54	A	98.7	Very high	97.6	Very high	2 Å²	2	57.1 Å²	57.1	2%	0.017	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	145.7	171.8	0	0	0	0	0	111	Y56 L66 I68 C108 Q109 Y111	A54-Y56 HydrophobicContact CB-CD2 4.41Å; A54-Y56 HydrophobicContact CB-CE2 3.6Å; A54-L66 HydrophobicContact CB-CD1 3.82Å; A54-I68 CarbonylContact C-O 3.04Å; A54-I68 WeakPolarHBondContact CA-O 3.5Å; A54-C108 CarbonylContact O-C 3.59Å; A54-C108 VanDerWaalsContact O-CA 3.26Å; A54-C108 WeakPolarHBondContact O-CA 3.44Å; A54-Q109 PolarHBondContact N-O 3.5Å; A54-Q109 PolarHBondContact O-N 3.19Å; A54-Y111 HydrophobicContact CB-CD1 4.35Å; A54-Y111 HydrophobicContact CB-CE1 4.14Å
55	W	98.8	Very high	97.6	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	139.6	167.6	-73.1	98	0	0	0	109.8	L41 C43 L53 L67 I68 L93 Y107 C108	L41-W55 HydrophobicContact CB-CH2 4Å; L41-W55 HydrophobicContact CB-CZ3 4.27Å; C43-W55 HydrophobicContact CB-CH2 3.52Å; C43-W55 HydrophobicContact CB-CZ2 3.45Å; C43-W55 VanDerWaalsContact CB-CZ2 3.45Å; C43-W55 HydrophobicContact CB-CZ3 4.5Å; L53-W55 HydrophobicContact CD2-CG 4.28Å; W55-L67 HydrophobicContact CB-CB 4.39Å; W55-L67 WeakPolarHBondContact O-CA 3.41Å; W55-L67 VanDerWaalsContact O-CB 3.3Å; W55-L67 WeakPolarHBondContact O-CB 3.3Å; W55-L67 PolarHBondContact O-N 2.84Å; W55-I68 HydrophobicContact CB-CB 4.13Å; W55-I68 HydrophobicContact CB-CG1 4.43Å; W55-I68 PolarHBondContact N-O 2.87Å; W55-I68 PolarHBondContact O-N 2.81Å; W55-L93 HydrophobicContact CB-CD1 4.42Å; W55-L93 HydrophobicContact CB-CD2 4.41Å; W55-L93 HydrophobicContact CD2-CB 3.67Å; W55-L93 HydrophobicContact CD2-CD2 4.07Å; W55-L93 HydrophobicContact CD2-CG 4.34Å; W55-L93 HydrophobicContact CE3-CB 4.06Å; W55-L93 HydrophobicContact CE3-CD2 3.93Å; W55-L93 HydrophobicContact CG-CB 4.09Å; W55-L93 HydrophobicContact CG-CD1 4.25Å; W55-L93 HydrophobicContact CG-CD2 4.29Å; W55-L93 HydrophobicContact CG-CG 4.45Å; W55-L93 HydrophobicContact CH2-CB 4.16Å; W55-L93 HydrophobicContact CZ2-CB 3.8Å; W55-L93 HydrophobicContact CZ3-CB 4.29Å; W55-L93 HydrophobicContact CZ3-CD2 4.5Å; W55-Y107 CarbonylContact C-O 3.48Å; W55-Y107 VanDerWaalsContact CA-O 3.3Å; W55-Y107 WeakPolarHBondContact CA-O 3.45Å; W55-C108 HydrophobicContact CD2-CB 3.96Å; W55-C108 HydrophobicContact CE3-CB 3.8Å; W55-C108 HydrophobicContact CH2-CB 3.93Å; W55-C108 HydrophobicContact CZ2-CB 4.06Å; W55-C108 HydrophobicContact CZ3-CB 3.77Å
56	Y	98.7	Very high	97.7	Very high	60 Å²	60	58.5 Å²	58.5	24%	0.235	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.5	177.6	-60.8	-95.3	0	0	0	110.3	A54 R65 L66 Y106 Y107 Q109	A54-Y56 HydrophobicContact CB-CD2 4.41Å; A54-Y56 HydrophobicContact CB-CE2 3.6Å; Y56-R65 CarbonylContact C-O 3.57Å; Y56-R65 VanDerWaalsContact CA-O 3.25Å; Y56-R65 WeakPolarHBondContact CA-O 3.33Å; Y56-L66 HydrophobicContact CD1-CB 4.3Å; Y56-L66 HydrophobicContact CD1-CD1 4.23Å; Y56-L66 HydrophobicContact CE1-CB 4.12Å; Y56-L66 HydrophobicContact CE1-CD1 3.74Å; Y56-L66 HydrophobicContact CE2-CD1 4.46Å; Y56-Y106 VanDerWaalsContact O-CA 3.3Å; Y56-Y106 WeakPolarHBondContact O-CA 3.2Å; Y56-Y107 PolarHBondContact N-O 3.49Å; Y56-Y107 PolarHBondContact O-N 2.92Å; Y56-Q109 HydrophobicContact CE2-CB 4.02Å; Y56-Q109 PolarHBondContact OH-OE1 3.45Å
57	Q	98.6	Very high	97.8	Very high	18 Å²	18	55 Å²	55	8%	0.084	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.4	171.5	-177.8	-171.9	65.5	0	0	108.8	R65 A104 Y106	Q57-R65 PolarHBondContact N-O 3.24Å; Q57-R65 PolarHBondContact O-N 2.81Å; Q57-A104 HydrophobicContact CG-CB 3.45Å; Q57-A104 VanDerWaalsContact CG-CB 3.45Å; Q57-Y106 HydrophobicContact CB-CD1 4.17Å; Q57-Y106 HydrophobicContact CB-CE1 3.91Å; Q57-Y106 HydrophobicContact CG-CD1 4.34Å; Q57-Y106 HydrophobicContact CG-CE1 3.76Å; Q57-Y106 PolarHBondContact NE2-OH 3.32Å
58	Q	98.5	Very high	97.9	Very high	57 Å²	57	51.3 Å²	51.3	27%	0.266	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	111	174.3	-169.9	176.2	15.4	0	0	110.7	Q62 P64 A104 V105 Y107	Q58-Q62 VanDerWaalsContact CG-O 3.27Å; Q58-Q62 WeakPolarHBondContact CG-O 3.41Å; Q58-Q62 PolarHBondContact NE2-O 3.07Å; Q58-P64 HydrophobicContact CB-CB 4.46Å; Q58-P64 HydrophobicContact CB-CG 4.36Å; Q58-P64 HydrophobicContact CG-CG 4.22Å; Q58-A104 WeakPolarHBondContact O-CA 3.3Å; Q58-A104 WeakPolarHBondContact O-CB 3.47Å; Q58-V105 PolarHBondContact N-O 2.92Å; Q58-V105 PolarHBondContact O-N 2.84Å; Q58-Y107 HydrophobicContact CB-CD2 4.5Å; Q58-Y107 HydrophobicContact CB-CE2 3.83Å; Q58-Y107 PolarHBondContact OE1-OH 3.32Å
59	K	97.6	Very high	98	Very high	57 Å²	57	52.7 Å²	52.7	25%	0.248	30%	0.304	C	S	.	.			trans	-80	153.9	173	-65	-175.2	-179	-165	0	110.4	G61 Q62 E101 A104	K59-G61 PolarHBondContact O-N 2.87Å; K59-Q62 HydrophobicContact CB-CB 4.3Å; K59-Q62 HydrophobicContact CB-CG 4.22Å; K59-Q62 PolarHBondContact O-N 3.32Å; K59-E101 WeakPolarHBondContact CE-O 3.28Å; K59-E101 PolarHBondContact NZ-O 2.97Å; K59-A104 HydrophobicContact CG-CB 4.15Å
60	P	97	Very high	98.1	Very high	97 Å²	97	53.3 Å²	53.3	63%	0.63	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	127.9	176.2	-27.4	35.2	0	0	0	112.1	Q62 F103	P60-Q62 PolarHBondContact O-N 3.18Å; P60-F103 HydrophobicContact CG-CD1 4.44Å; P60-F103 HydrophobicContact CG-CE1 4.16Å
61	G	97.3	Very high	98.2	Very high	94 Å²	94	50.2 Å²	50.2	97%	0.969	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	6.1	179.7	0	0	0	0	0	115.8	K59	K59-G61 PolarHBondContact O-N 2.87Å
62	Q	97.7	Very high	98.2	Very high	118 Å²	118	51.1 Å²	51.1	55%	0.551	30%	0.295	S	S	*	.	S	Bend	trans	-111.9	158.6	178.3	-59.5	-174.1	18.5	0	0	111.5	Q58 K59 P60	Q58-Q62 VanDerWaalsContact CG-O 3.27Å; Q58-Q62 WeakPolarHBondContact CG-O 3.41Å; Q58-Q62 PolarHBondContact NE2-O 3.07Å; K59-Q62 HydrophobicContact CB-CB 4.3Å; K59-Q62 HydrophobicContact CB-CG 4.22Å; K59-Q62 PolarHBondContact O-N 3.32Å; P60-Q62 PolarHBondContact O-N 3.18Å
63	A	97.6	Very high	98.3	Very high	79 Å²	79	52.7 Å²	52.7	65%	0.653	30%	0.303	S	S	*	.			trans	-71.5	152.9	169.2	0	0	0	0	0	110.8	R65	A63-R65 PolarHBondContact O-N 3.43Å
64	P	97.9	Very high	98.3	Very high	72 Å²	72	58 Å²	58	47%	0.468	32%	0.323	S	S	.	.			trans	-58	133.1	172.1	-23.2	33.6	0	0	0	112	Q58	Q58-P64 HydrophobicContact CB-CB 4.46Å; Q58-P64 HydrophobicContact CB-CG 4.36Å; Q58-P64 HydrophobicContact CG-CG 4.22Å
65	R	98.2	Very high	98.3	Very high	125 Å²	125	58.6 Å²	58.6	47%	0.472	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.6	174.9	179.5	-177.9	175.7	-169	-1.4	110	Y56 Q57 A63 L67 T76 G77	Y56-R65 CarbonylContact C-O 3.57Å; Y56-R65 VanDerWaalsContact CA-O 3.25Å; Y56-R65 WeakPolarHBondContact CA-O 3.33Å; Q57-R65 PolarHBondContact N-O 3.24Å; Q57-R65 PolarHBondContact O-N 2.81Å; A63-R65 PolarHBondContact O-N 3.43Å; R65-L67 PolarHBondContact O-N 2.86Å; R65-T76 PolarHBondContact NH2-O 3.18Å; R65-G77 PolarHBondContact NH2-O 2.89Å
66	L	98.7	Very high	98.2	Very high	60 Å²	60	65.2 Å²	65.2	31%	0.314	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	128.8	173.2	-175.9	67.2	0	0	0	110.9	A54 Y56 Y69 A75	A54-L66 HydrophobicContact CB-CD1 3.82Å; Y56-L66 HydrophobicContact CD1-CB 4.3Å; Y56-L66 HydrophobicContact CD1-CD1 4.23Å; Y56-L66 HydrophobicContact CE1-CB 4.12Å; Y56-L66 HydrophobicContact CE1-CD1 3.74Å; Y56-L66 HydrophobicContact CE2-CD1 4.46Å; L66-Y69 HydrophobicContact CD2-CD1 4.17Å; L66-A75 HydrophobicContact CB-CB 4.35Å; L66-A75 HydrophobicContact CD2-CB 4.06Å; L66-A75 HydrophobicContact CG-CB 3.97Å; L66-A75 WeakPolarHBondContact O-CB 2.99Å
67	L	98.6	Very high	98.2	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-56.7	-178.3	-171.1	69	0	0	0	111.1	W55 R65 A75 I78 F82 L93 Y106	W55-L67 HydrophobicContact CB-CB 4.39Å; W55-L67 WeakPolarHBondContact O-CA 3.41Å; W55-L67 VanDerWaalsContact O-CB 3.3Å; W55-L67 WeakPolarHBondContact O-CB 3.3Å; W55-L67 PolarHBondContact O-N 2.84Å; R65-L67 PolarHBondContact O-N 2.86Å; L67-A75 PolarHBondContact O-N 2.01Å; L67-I78 HydrophobicContact CD1-CB 4.46Å; L67-I78 HydrophobicContact CD1-CD1 3.73Å; L67-I78 HydrophobicContact CD1-CG1 4.1Å; L67-I78 HydrophobicContact CD1-CG2 3.54Å; L67-I78 HydrophobicContact CG-CG2 4.31Å; L67-F82 HydrophobicContact CD1-CB 4.43Å; L67-F82 HydrophobicContact CD1-CD1 3.82Å; L67-F82 HydrophobicContact CD1-CD2 4.23Å; L67-F82 HydrophobicContact CD1-CE1 4.02Å; L67-F82 HydrophobicContact CD1-CE2 4.45Å; L67-F82 HydrophobicContact CD1-CG 3.91Å; L67-F82 HydrophobicContact CD1-CZ 4.34Å; L67-F82 HydrophobicContact CD2-CD1 3.68Å; L67-F82 HydrophobicContact CD2-CE1 3.96Å; L67-F82 HydrophobicContact CD2-CG 4.45Å; L67-F82 HydrophobicContact CG-CD1 4.1Å; L67-F82 HydrophobicContact CG-CG 4.41Å; L67-L93 HydrophobicContact CD2-CD1 3.69Å; L67-L93 HydrophobicContact CD2-CD2 3.63Å; L67-L93 HydrophobicContact CD2-CG 4.3Å; L67-Y106 HydrophobicContact CD2-CD1 4.08Å; L67-Y106 HydrophobicContact CD2-CE1 3.92Å
68	I	98.9	Very high	98.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.4	178.6	-53.1	-65.2	0	0	0	108.3	A54 W55 I73 R74 L93	A54-I68 CarbonylContact C-O 3.04Å; A54-I68 WeakPolarHBondContact CA-O 3.5Å; W55-I68 HydrophobicContact CB-CB 4.13Å; W55-I68 HydrophobicContact CB-CG1 4.43Å; W55-I68 PolarHBondContact N-O 2.87Å; W55-I68 PolarHBondContact O-N 2.81Å; I68-I73 CarbonylContact C-O 2.98Å; I68-I73 VanDerWaalsContact CA-O 3.24Å; I68-I73 WeakPolarHBondContact CA-O 3.17Å; I68-I73 WeakPolarHBondContact CG2-O 3.45Å; I68-R74 HydrophobicContact CD1-CB 4.3Å; I68-R74 HydrophobicContact CD1-CG 3.54Å; I68-L93 HydrophobicContact CG1-CD1 3.81Å
69	Y	98.6	Very high	98.2	Very high	101 Å²	101	65 Å²	65	40%	0.396	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	166.3	168.8	68.4	-82.9	0	0	0	110.1	L53 L66 A71 S72 I73	L53-Y69 CarbonylContact O-C 3.59Å; L66-Y69 HydrophobicContact CD2-CD1 4.17Å; Y69-A71 PolarHBondContact O-N 2.92Å; Y69-S72 PolarHBondContact O-N 3.17Å; Y69-I73 HydrophobicContact CD1-CB 4.2Å; Y69-I73 HydrophobicContact CD1-CG2 4.32Å; Y69-I73 WeakPolarHBondContact CD1-O 3.24Å; Y69-I73 HydrophobicContact CD2-CB 4.28Å; Y69-I73 HydrophobicContact CD2-CD1 4.29Å; Y69-I73 HydrophobicContact CE1-CB 3.89Å; Y69-I73 HydrophobicContact CE1-CG2 3.54Å; Y69-I73 HydrophobicContact CE2-CB 3.99Å; Y69-I73 HydrophobicContact CE2-CD1 3.75Å; Y69-I73 HydrophobicContact CE2-CG1 4.46Å; Y69-I73 HydrophobicContact CE2-CG2 4.02Å; Y69-I73 HydrophobicContact CG-CB 4.39Å; Y69-I73 PolarHBondContact N-O 2.83Å; Y69-I73 WeakPolarHBondContact O-CA 3.47Å; Y69-I73 WeakPolarHBondContact O-CB 3.26Å; Y69-I73 PolarHBondContact O-N 2.92Å; Y69-I73 WeakPolarHBondContact OH-CG2 3.42Å
70	G	98.3	Very high	98.2	Very high	12 Å²	12	66.3 Å²	66.3	12%	0.124	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	31.7	-175.7	0	0	0	0	0	112.3	S51 L53 S72 Y111	S51-G70 CarbonylContact O-C 3.57Å; S51-G70 WeakPolarHBondContact O-CA 3.4Å; L53-G70 PolarHBondContact O-N 2.96Å; L53-G70 VanDerWaalsContact O-N 3.17Å; G70-S72 PolarHBondContact O-N 3.01Å; G70-S72 PolarHBondContact O-OG 2.84Å; G70-Y111 VanDerWaalsContact CA-OH 3.3Å; G70-Y111 WeakPolarHBondContact CA-OH 3.41Å; G70-Y111 PolarHBondContact N-OH 3.05Å
71	A	98.5	Very high	98.3	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.017	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	-21.7	-172.5	0	0	0	0	0	117.2	S51 L53 Y69 G84 S85 G86 F91	S51-A71 PolarHBondContact O-N 3.26Å; S51-A71 VanDerWaalsContact O-N 3.13Å; L53-A71 PolarHBondContact O-N 3.47Å; Y69-A71 PolarHBondContact O-N 2.92Å; A71-G84 CarbonylContact O-C 3.59Å; A71-G84 WeakPolarHBondContact O-CA 3.17Å; A71-S85 PolarHBondContact O-N 3.17Å; A71-G86 WeakPolarHBondContact CB-O 3.36Å; A71-F91 HydrophobicContact CB-CD1 3.67Å; A71-F91 HydrophobicContact CB-CE1 3.68Å
72	S	98.6	Very high	98.4	Very high	70 Å²	70	59.2 Å²	59.2	49%	0.49	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.5	-10	-169	59.8	0	0	0	0	115.5	Y69 G70 G84	Y69-S72 PolarHBondContact O-N 3.17Å; G70-S72 PolarHBondContact O-N 3.01Å; G70-S72 PolarHBondContact O-OG 2.84Å; S72-G84 WeakPolarHBondContact CA-O 3.47Å
73	I	98.7	Very high	98.4	Very high	81 Å²	81	55.8 Å²	55.8	42%	0.415	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.6	-175.8	-50.5	172.6	0	0	0	109.6	I68 Y69	I68-I73 CarbonylContact C-O 2.98Å; I68-I73 VanDerWaalsContact CA-O 3.24Å; I68-I73 WeakPolarHBondContact CA-O 3.17Å; I68-I73 WeakPolarHBondContact CG2-O 3.45Å; Y69-I73 HydrophobicContact CD1-CB 4.2Å; Y69-I73 HydrophobicContact CD1-CG2 4.32Å; Y69-I73 WeakPolarHBondContact CD1-O 3.24Å; Y69-I73 HydrophobicContact CD2-CB 4.28Å; Y69-I73 HydrophobicContact CD2-CD1 4.29Å; Y69-I73 HydrophobicContact CE1-CB 3.89Å; Y69-I73 HydrophobicContact CE1-CG2 3.54Å; Y69-I73 HydrophobicContact CE2-CB 3.99Å; Y69-I73 HydrophobicContact CE2-CD1 3.75Å; Y69-I73 HydrophobicContact CE2-CG1 4.46Å; Y69-I73 HydrophobicContact CE2-CG2 4.02Å; Y69-I73 HydrophobicContact CG-CB 4.39Å; Y69-I73 PolarHBondContact N-O 2.83Å; Y69-I73 WeakPolarHBondContact O-CA 3.47Å; Y69-I73 WeakPolarHBondContact O-CB 3.26Å; Y69-I73 PolarHBondContact O-N 2.92Å; Y69-I73 WeakPolarHBondContact OH-CG2 3.42Å
74	R	98.6	Very high	98.5	Very high	112 Å²	112	52.5 Å²	52.5	42%	0.423	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134.1	174.1	-78.4	174.7	-70.9	-82.5	-6.9	110.9	I68 I78 F82	I68-R74 HydrophobicContact CD1-CB 4.3Å; I68-R74 HydrophobicContact CD1-CG 3.54Å; R74-I78 HydrophobicContact CB-CB 4.34Å; R74-I78 HydrophobicContact CB-CG2 4.45Å; R74-I78 HydrophobicContact CG-CG2 4.16Å; R74-F82 VanDerWaalsContact CD-O 3.27Å; R74-F82 WeakPolarHBondContact CD-O 3Å; R74-F82 PolarHBondContact NH1-O 2.99Å; R74-F82 VanDerWaalsContact NH1-O 3.07Å
75	A	98.6	Very high	98.5	Very high	14 Å²	14	52 Å²	52	12%	0.116	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-66.1	161.7	169	0	0	0	0	0	111.7	L66 L67 G77 I78	L66-A75 HydrophobicContact CB-CB 4.35Å; L66-A75 HydrophobicContact CD2-CB 4.06Å; L66-A75 HydrophobicContact CG-CB 3.97Å; L66-A75 WeakPolarHBondContact O-CB 2.99Å; L67-A75 PolarHBondContact O-N 2.01Å; A75-G77 PolarHBondContact O-N 3.13Å; A75-I78 HydrophobicContact CB-CG1 3.93Å; A75-I78 WeakPolarHBondContact O-CB 3.36Å; A75-I78 WeakPolarHBondContact O-CG1 3.49Å; A75-I78 PolarHBondContact O-N 3.37Å
76	T	98.2	Very high	98.5	Very high	140 Å²	140	47.8 Å²	47.8	86%	0.859	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	133.4	-179.8	-55	0	0	0	0	112	R65 I78	R65-T76 PolarHBondContact NH2-O 3.18Å; T76-I78 PolarHBondContact O-N 3Å
77	G	98	Very high	98.5	Very high	61 Å²	61	48.9 Å²	48.9	63%	0.629	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	14.7	179	0	0	0	0	0	114.2	R65 A75	R65-G77 PolarHBondContact NH2-O 2.89Å; A75-G77 PolarHBondContact O-N 3.13Å
78	I	98.3	Very high	98.5	Very high	18 Å²	18	49.8 Å²	49.8	9%	0.092	32%	0.322	C	S	.	.			trans	-86.7	126.8	170.5	-62.5	-52.1	0	0	0	109.8	L67 R74 A75 T76 F82	L67-I78 HydrophobicContact CD1-CB 4.46Å; L67-I78 HydrophobicContact CD1-CD1 3.73Å; L67-I78 HydrophobicContact CD1-CG1 4.1Å; L67-I78 HydrophobicContact CD1-CG2 3.54Å; L67-I78 HydrophobicContact CG-CG2 4.31Å; R74-I78 HydrophobicContact CB-CB 4.34Å; R74-I78 HydrophobicContact CB-CG2 4.45Å; R74-I78 HydrophobicContact CG-CG2 4.16Å; A75-I78 HydrophobicContact CB-CG1 3.93Å; A75-I78 WeakPolarHBondContact O-CB 3.36Å; A75-I78 WeakPolarHBondContact O-CG1 3.49Å; A75-I78 PolarHBondContact O-N 3.37Å; T76-I78 PolarHBondContact O-N 3Å; I78-F82 HydrophobicContact CG2-CB 3.8Å; I78-F82 HydrophobicContact CG2-CD2 3.88Å; I78-F82 HydrophobicContact CG2-CG 4.04Å
79	P	98.3	Very high	98.5	Very high	50 Å²	50	52.1 Å²	52.1	33%	0.325	34%	0.337	S	S	.	.			trans	-57.6	148.3	180	-28.3	36.9	0	0	0	113.9	R81 F82	P79-R81 HydrophobicContact CB-CG 3.83Å; P79-R81 VanDerWaalsContact CB-NH1 3.33Å; P79-R81 PolarHBondContact O-N 2.81Å; P79-R81 VanDerWaalsContact O-N 3.08Å; P79-F82 HydrophobicContact CB-CD2 4.13Å; P79-F82 HydrophobicContact CB-CE2 4.39Å; P79-F82 HydrophobicContact CG-CD2 4.35Å; P79-F82 HydrophobicContact CG-CE2 4.26Å; P79-F82 PolarHBondContact O-N 2.8Å
80	A	98.3	Very high	98.5	Very high	85 Å²	85	53.1 Å²	53.1	70%	0.702	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.6	179.4	0	0	0	0	0	114.2	F82	A80-F82 PolarHBondContact O-N 2.97Å
81	R	98.4	Very high	98.5	Very high	39 Å²	39	52.6 Å²	52.6	15%	0.147	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.1	173.4	62.1	163.8	-175.4	-78.8	8.5	113.6	P79 I95 S96 I97 E101 D102	P79-R81 HydrophobicContact CB-CG 3.83Å; P79-R81 VanDerWaalsContact CB-NH1 3.33Å; P79-R81 PolarHBondContact O-N 2.81Å; P79-R81 VanDerWaalsContact O-N 3.08Å; R81-I95 HydrophobicContact CG-CG2 4.45Å; R81-I95 CarbonylContact O-C 3.56Å; R81-I95 WeakPolarHBondContact O-CA 3.35Å; R81-S96 WeakPolarHBondContact CA-OG 3.29Å; R81-S96 WeakPolarHBondContact CB-OG 3.46Å; R81-S96 PolarHBondContact O-N 2.89Å; R81-S96 PolarHBondContact O-OG 2.78Å; R81-I97 WeakPolarHBondContact CD-O 3.41Å; R81-E101 IonicContact CZ-OE1 3.54Å; R81-E101 IonicContact NH1-OE1 2.75Å; R81-E101 IonicContact NH2-OE1 3.85Å; R81-E101 PolarHBondContact NH2-OE1 2.97Å; R81-D102 IonicContact CZ-OD1 3.53Å; R81-D102 IonicContact CZ-OD2 3.68Å; R81-D102 IonicContact NE-OD1 3.47Å; R81-D102 PolarHBondContact NE-OD1 3.45Å; R81-D102 IonicContact NE-OD2 3.01Å; R81-D102 PolarHBondContact NE-OD2 3.45Å; R81-D102 IonicContact NH2-OD1 3.64Å; R81-D102 PolarHBondContact NH2-OD1 2.85Å; R81-D102 IonicContact NH2-OD2 2.79Å
82	F	98.8	Very high	98.5	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.018	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.7	174.7	-66.5	-87.9	0	0	0	110.9	L67 R74 I78 P79 A80 T94 I95 D102 Y106	L67-F82 HydrophobicContact CD1-CB 4.43Å; L67-F82 HydrophobicContact CD1-CD1 3.82Å; L67-F82 HydrophobicContact CD1-CD2 4.23Å; L67-F82 HydrophobicContact CD1-CE1 4.02Å; L67-F82 HydrophobicContact CD1-CE2 4.45Å; L67-F82 HydrophobicContact CD1-CG 3.91Å; L67-F82 HydrophobicContact CD1-CZ 4.34Å; L67-F82 HydrophobicContact CD2-CD1 3.68Å; L67-F82 HydrophobicContact CD2-CE1 3.96Å; L67-F82 HydrophobicContact CD2-CG 4.45Å; L67-F82 HydrophobicContact CG-CD1 4.1Å; L67-F82 HydrophobicContact CG-CG 4.41Å; R74-F82 VanDerWaalsContact CD-O 3.27Å; R74-F82 WeakPolarHBondContact CD-O 3Å; R74-F82 PolarHBondContact NH1-O 2.99Å; R74-F82 VanDerWaalsContact NH1-O 3.07Å; I78-F82 HydrophobicContact CG2-CB 3.8Å; I78-F82 HydrophobicContact CG2-CD2 3.88Å; I78-F82 HydrophobicContact CG2-CG 4.04Å; P79-F82 HydrophobicContact CB-CD2 4.13Å; P79-F82 HydrophobicContact CB-CE2 4.39Å; P79-F82 HydrophobicContact CG-CD2 4.35Å; P79-F82 HydrophobicContact CG-CE2 4.26Å; P79-F82 PolarHBondContact O-N 2.8Å; A80-F82 PolarHBondContact O-N 2.97Å; F82-T94 WeakPolarHBondContact CA-O 3.29Å; F82-I95 HydrophobicContact CD1-CD1 4.24Å; F82-I95 HydrophobicContact CD1-CG1 3.76Å; F82-I95 HydrophobicContact CD1-CG2 4.45Å; F82-I95 HydrophobicContact CE1-CB 4.47Å; F82-I95 HydrophobicContact CE1-CD1 3.56Å; F82-I95 HydrophobicContact CE1-CG1 3.6Å; F82-I95 HydrophobicContact CE1-CG2 4.18Å; F82-I95 HydrophobicContact CZ-CD1 4.32Å; F82-I95 HydrophobicContact CZ-CG2 4.38Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.25Å; F82-Y106 HydrophobicContact CE1-CE1 4.23Å
83	S	98.8	Very high	98.5	Very high	46 Å²	46	51 Å²	51	32%	0.322	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.5	170.3	54.8	0	0	0	0	110.5	T94	S83-T94 PolarHBondContact N-O 2.85Å; S83-T94 PolarHBondContact O-N 2.8Å
84	G	98.8	Very high	98.5	Very high	10 Å²	10	48.4 Å²	48.4	10%	0.103	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	153.9	166	0	0	0	0	0	110.9	A71 S72 T92	A71-G84 CarbonylContact O-C 3.59Å; A71-G84 WeakPolarHBondContact O-CA 3.17Å; S72-G84 WeakPolarHBondContact CA-O 3.47Å; G84-T92 CarbonylContact C-O 3.55Å; G84-T92 VanDerWaalsContact CA-O 3.25Å; G84-T92 WeakPolarHBondContact CA-O 3.42Å
85	S	98.6	Very high	98.5	Very high	60 Å²	60	43.4 Å²	43.4	42%	0.42	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	167.4	170.4	63.3	0	0	0	0	110.6	A71 F91 T92	A71-S85 PolarHBondContact O-N 3.17Å; S85-F91 CarbonylContact O-C 3.51Å; S85-F91 VanDerWaalsContact O-CA 3.28Å; S85-F91 WeakPolarHBondContact O-CA 3.16Å; S85-T92 PolarHBondContact N-O 3.39Å; S85-T92 PolarHBondContact O-N 2.83Å
86	G	98.5	Very high	98.5	Very high	37 Å²	37	45.1 Å²	45.1	38%	0.381	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.5	167.3	175.6	0	0	0	0	0	114	A71 E90	A71-G86 WeakPolarHBondContact CB-O 3.36Å; G86-E90 CarbonylContact C-O 3.55Å; G86-E90 WeakPolarHBondContact CA-O 3.3Å
87	S	98.3	Very high	98.5	Very high	84 Å²	84	42.9 Å²	42.9	59%	0.587	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-163.4	164.4	176.7	63.7	0	0	0	0	109.8	S50 T89 E90	S50-S87 CarbonylContact O-C 3.54Å; S50-S87 WeakPolarHBondContact O-CA 3.3Å; S87-T89 PolarHBondContact O-N 2.88Å; S87-E90 PolarHBondContact N-O 3.23Å; S87-E90 VanDerWaalsContact N-O 3.17Å; S87-E90 PolarHBondContact O-N 2.83Å
88	G	98.2	Very high	98.6	Very high	19 Å²	19	41.3 Å²	41.3	20%	0.196	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	-105.3	-178.5	0	0	0	0	0	110.3	S48 V49 S50 F91	S48-G88 WeakPolarHBondContact CA-O 3.27Å; S48-G88 WeakPolarHBondContact OG-CA 3.26Å; V49-G88 WeakPolarHBondContact CG2-O 3.25Å; V49-G88 PolarHBondContact N-O 2.88Å; S50-G88 PolarHBondContact O-N 2.91Å; G88-F91 WeakPolarHBondContact O-CE2 3.46Å
89	T	98.3	Very high	98.6	Very high	50 Å²	50	44.2 Å²	44.2	31%	0.307	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-12.9	-174.8	48.4	0	0	0	0	114	R44 A45 Q47 S87	R44-T89 CarbonylContact C-O 3.47Å; R44-T89 WeakPolarHBondContact CA-O 3.36Å; A45-T89 PolarHBondContact N-O 3.01Å; Q47-T89 VanDerWaalsContact C-CG2 3.46Å; S87-T89 PolarHBondContact O-N 2.88Å
90	E	98.8	Very high	98.4	Very high	121 Å²	121	46.6 Å²	46.6	57%	0.565	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.1	-171.1	-65.5	-170.3	174.7	0	0	111.9	R44 G86 S87	R44-E90 HydrophobicContact CG-CG 4.49Å; G86-E90 CarbonylContact C-O 3.55Å; G86-E90 WeakPolarHBondContact CA-O 3.3Å; S87-E90 PolarHBondContact N-O 3.23Å; S87-E90 VanDerWaalsContact N-O 3.17Å; S87-E90 PolarHBondContact O-N 2.83Å
91	F	98.8	Very high	98.3	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	152.4	-173	-56.8	-91.4	0	0	0	111.3	S42 C43 V49 S50 L53 A71 S85 G88	S42-F91 CarbonylContact C-O 3.58Å; S42-F91 WeakPolarHBondContact CA-O 3.48Å; C43-F91 HydrophobicContact CB-CB 4.37Å; C43-F91 PolarHBondContact N-O 3.08Å; C43-F91 PolarHBondContact O-N 3.28Å; V49-F91 HydrophobicContact CG2-CE2 3.48Å; V49-F91 VanDerWaalsContact CG2-CE2 3.48Å; V49-F91 HydrophobicContact CG2-CZ 3.43Å; V49-F91 VanDerWaalsContact CG2-CZ 3.43Å; S50-F91 WeakPolarHBondContact O-CZ 3.41Å; L53-F91 HydrophobicContact CB-CD1 3.97Å; L53-F91 HydrophobicContact CB-CE1 3.9Å; L53-F91 HydrophobicContact CB-CE2 4.47Å; L53-F91 HydrophobicContact CB-CG 4.3Å; L53-F91 HydrophobicContact CB-CZ 4.17Å; L53-F91 HydrophobicContact CD1-CB 3.98Å; L53-F91 HydrophobicContact CD1-CD1 4.14Å; L53-F91 HydrophobicContact CD1-CD2 3.46Å; L53-F91 VanDerWaalsContact CD1-CD2 3.46Å; L53-F91 HydrophobicContact CD1-CE2 3.93Å; L53-F91 HydrophobicContact CD1-CG 3.58Å; L53-F91 HydrophobicContact CD1-CZ 4.45Å; L53-F91 HydrophobicContact CD2-CB 4.12Å; L53-F91 HydrophobicContact CD2-CD1 4.23Å; L53-F91 HydrophobicContact CD2-CG 4.16Å; L53-F91 HydrophobicContact CG-CD1 4.32Å; L53-F91 HydrophobicContact CG-CD2 4.45Å; L53-F91 HydrophobicContact CG-CG 4.21Å; A71-F91 HydrophobicContact CB-CD1 3.67Å; A71-F91 HydrophobicContact CB-CE1 3.68Å; S85-F91 CarbonylContact O-C 3.51Å; S85-F91 VanDerWaalsContact O-CA 3.28Å; S85-F91 WeakPolarHBondContact O-CA 3.16Å; G88-F91 WeakPolarHBondContact O-CE2 3.46Å
92	T	98.8	Very high	98.3	Very high	37 Å²	37	44.8 Å²	44.8	23%	0.227	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.8	-178	-56	0	0	0	0	109.8	T40 L41 G84 S85	T40-T92 HydrophobicContact CG2-CG2 3.27Å; L41-T92 CarbonylContact O-C 3.48Å; L41-T92 VanDerWaalsContact O-CA 3.29Å; L41-T92 WeakPolarHBondContact O-CA 3.32Å; L41-T92 WeakPolarHBondContact O-CG2 3.49Å; G84-T92 CarbonylContact C-O 3.55Å; G84-T92 VanDerWaalsContact CA-O 3.25Å; G84-T92 WeakPolarHBondContact CA-O 3.42Å; S85-T92 PolarHBondContact N-O 3.39Å; S85-T92 PolarHBondContact O-N 2.83Å
93	L	98.9	Very high	98.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.6	162.9	177.3	68	0	0	0	108.2	T40 L41 W55 L67 I68 Y106	T40-L93 CarbonylContact C-O 3.47Å; T40-L93 WeakPolarHBondContact CA-O 3.27Å; L41-L93 HydrophobicContact CB-CB 4.41Å; L41-L93 HydrophobicContact CD1-CD2 4.34Å; L41-L93 PolarHBondContact N-O 2.87Å; L41-L93 PolarHBondContact O-N 3.07Å; W55-L93 HydrophobicContact CB-CD1 4.42Å; W55-L93 HydrophobicContact CB-CD2 4.41Å; W55-L93 HydrophobicContact CD2-CB 3.67Å; W55-L93 HydrophobicContact CD2-CD2 4.07Å; W55-L93 HydrophobicContact CD2-CG 4.34Å; W55-L93 HydrophobicContact CE3-CB 4.06Å; W55-L93 HydrophobicContact CE3-CD2 3.93Å; W55-L93 HydrophobicContact CG-CB 4.09Å; W55-L93 HydrophobicContact CG-CD1 4.25Å; W55-L93 HydrophobicContact CG-CD2 4.29Å; W55-L93 HydrophobicContact CG-CG 4.45Å; W55-L93 HydrophobicContact CH2-CB 4.16Å; W55-L93 HydrophobicContact CZ2-CB 3.8Å; W55-L93 HydrophobicContact CZ3-CB 4.29Å; W55-L93 HydrophobicContact CZ3-CD2 4.5Å; L67-L93 HydrophobicContact CD2-CD1 3.69Å; L67-L93 HydrophobicContact CD2-CD2 3.63Å; L67-L93 HydrophobicContact CD2-CG 4.3Å; I68-L93 HydrophobicContact CG1-CD1 3.81Å; L93-Y106 HydrophobicContact CD2-CD1 3.62Å; L93-Y106 HydrophobicContact CD2-CE1 4.15Å; L93-Y106 HydrophobicContact CD2-CG 4.32Å
94	T	98.8	Very high	98.2	Very high	27 Å²	27	51.2 Å²	51.2	17%	0.166	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.8	176.1	-57.6	0	0	0	0	109.9	R38 A39 F82 S83	R38-T94 HydrophobicContact CG-CG2 3.96Å; A39-T94 WeakPolarHBondContact O-CA 3.44Å; F82-T94 WeakPolarHBondContact CA-O 3.29Å; S83-T94 PolarHBondContact N-O 2.85Å; S83-T94 PolarHBondContact O-N 2.8Å
95	I	98.7	Very high	98.2	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	107.9	166.2	-45.3	179.2	0	0	0	105.8	R38 A39 R81 F82 I97 L98 D102 Y106	R38-I95 WeakPolarHBondContact CA-O 3.28Å; A39-I95 HydrophobicContact CB-CB 4.26Å; A39-I95 HydrophobicContact CB-CD1 4.42Å; A39-I95 HydrophobicContact CB-CG1 4.49Å; A39-I95 PolarHBondContact N-O 3.43Å; A39-I95 PolarHBondContact O-N 3.01Å; R81-I95 HydrophobicContact CG-CG2 4.45Å; R81-I95 CarbonylContact O-C 3.56Å; R81-I95 WeakPolarHBondContact O-CA 3.35Å; F82-I95 HydrophobicContact CD1-CD1 4.24Å; F82-I95 HydrophobicContact CD1-CG1 3.76Å; F82-I95 HydrophobicContact CD1-CG2 4.45Å; F82-I95 HydrophobicContact CE1-CB 4.47Å; F82-I95 HydrophobicContact CE1-CD1 3.56Å; F82-I95 HydrophobicContact CE1-CG1 3.6Å; F82-I95 HydrophobicContact CE1-CG2 4.18Å; F82-I95 HydrophobicContact CZ-CD1 4.32Å; F82-I95 HydrophobicContact CZ-CG2 4.38Å; I95-I97 VanDerWaalsContact C-N 3.34Å; I95-I97 PolarHBondContact O-N 3.36Å; I95-L98 HydrophobicContact CD1-CD1 3.91Å; I95-L98 HydrophobicContact CG2-CD1 4.29Å; I95-D102 HydrophobicContact CD1-CB 4.47Å; I95-Y106 HydrophobicContact CD1-CE1 4.42Å
96	S	98.6	Very high	98.2	Very high	51 Å²	51	52.7 Å²	52.7	36%	0.357	31%	0.305	S	S	.	.	S	Bend	trans	-69.1	-33.6	-171.4	62.5	0	0	0	0	113.2	R81	R81-S96 WeakPolarHBondContact CA-OG 3.29Å; R81-S96 WeakPolarHBondContact CB-OG 3.46Å; R81-S96 PolarHBondContact O-N 2.89Å; R81-S96 PolarHBondContact O-OG 2.78Å
97	I	98.4	Very high	98.2	Very high	92 Å²	92	55.5 Å²	55.5	47%	0.472	30%	0.304	S	S	.	.	S	Bend	trans	-137.8	102	177.5	-57.1	177.3	0	0	0	106.9	R81 I95	R81-I97 WeakPolarHBondContact CD-O 3.41Å; I95-I97 VanDerWaalsContact C-N 3.34Å; I95-I97 PolarHBondContact O-N 3.36Å
98	L	98.4	Very high	98.2	Very high	29 Å²	29	52.1 Å²	52.1	15%	0.152	28%	0.281	C	S	.	.			trans	-68	134.6	-179.5	-170.5	71.4	0	0	0	111.1	V33 P35 G36 E37 A39 I95 D102	V33-L98 HydrophobicContact CB-CD2 3.82Å; V33-L98 HydrophobicContact CG1-CD2 3.85Å; V33-L98 WeakPolarHBondContact O-CD2 3.41Å; P35-L98 WeakPolarHBondContact CA-O 3.07Å; G36-L98 PolarHBondContact N-O 2.84Å; E37-L98 VanDerWaalsContact O-CB 3.29Å; E37-L98 WeakPolarHBondContact O-CB 3.41Å; E37-L98 PolarHBondContact O-N 2.82Å; A39-L98 HydrophobicContact CB-CD1 4.16Å; I95-L98 HydrophobicContact CD1-CD1 3.91Å; I95-L98 HydrophobicContact CG2-CD1 4.29Å; L98-D102 HydrophobicContact CD1-CB 3.67Å
99	Q	98.3	Very high	98.1	Very high	78 Å²	78	53.6 Å²	53.6	36%	0.364	28%	0.282	S	S	.	.			trans	-117.8	162.4	175.3	-55.2	-168.9	-57	0	0	111.1	E101 D102	Q99-E101 WeakPolarHBondContact CB-OE2 3.15Å; Q99-E101 PolarHBondContact O-N 3.04Å; Q99-E101 PolarHBondContact OE1-OE1 2.7Å; Q99-D102 PolarHBondContact N-OD2 3.39Å; Q99-D102 VanDerWaalsContact O-CB 3.3Å; Q99-D102 WeakPolarHBondContact O-CB 3.44Å; Q99-D102 PolarHBondContact O-N 3.1Å
100	S	95.7	Very high	98.1	Very high	101 Å²	101	52.2 Å²	52.2	71%	0.706	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-63	-30.2	-177	53.2	0	0	0	0	112.5	D102 F103	S100-D102 PolarHBondContact O-N 3.33Å; S100-F103 PolarHBondContact O-N 3.44Å
101	E	96.4	Very high	97.9	Very high	80 Å²	80	50.3 Å²	50.3	37%	0.374	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-74.6	-5.5	176.1	77	-85.3	-167.5	0	0	114.3	K59 R81 Q99 F103	K59-E101 WeakPolarHBondContact CE-O 3.28Å; K59-E101 PolarHBondContact NZ-O 2.97Å; R81-E101 IonicContact CZ-OE1 3.54Å; R81-E101 IonicContact NH1-OE1 2.75Å; R81-E101 IonicContact NH2-OE1 3.85Å; R81-E101 PolarHBondContact NH2-OE1 2.97Å; Q99-E101 WeakPolarHBondContact CB-OE2 3.15Å; Q99-E101 PolarHBondContact O-N 3.04Å; Q99-E101 PolarHBondContact OE1-OE1 2.7Å; E101-F103 VanDerWaalsContact C-N 3.26Å
102	D	97.9	Very high	97.6	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.032	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-84.5	-1.3	178	-61.2	-28.4	0	0	0	112.4	R81 F82 I95 L98 Q99 S100 A104 Y106	R81-D102 IonicContact CZ-OD1 3.53Å; R81-D102 IonicContact CZ-OD2 3.68Å; R81-D102 IonicContact NE-OD1 3.47Å; R81-D102 PolarHBondContact NE-OD1 3.45Å; R81-D102 IonicContact NE-OD2 3.01Å; R81-D102 PolarHBondContact NE-OD2 3.45Å; R81-D102 IonicContact NH2-OD1 3.64Å; R81-D102 PolarHBondContact NH2-OD1 2.85Å; R81-D102 IonicContact NH2-OD2 2.79Å; F82-D102 WeakPolarHBondContact CZ-OD1 3.25Å; I95-D102 HydrophobicContact CD1-CB 4.47Å; L98-D102 HydrophobicContact CD1-CB 3.67Å; Q99-D102 PolarHBondContact N-OD2 3.39Å; Q99-D102 VanDerWaalsContact O-CB 3.3Å; Q99-D102 WeakPolarHBondContact O-CB 3.44Å; Q99-D102 PolarHBondContact O-N 3.1Å; S100-D102 PolarHBondContact O-N 3.33Å; D102-A104 PolarHBondContact O-N 3.12Å; D102-Y106 WeakPolarHBondContact O-CE2 3.36Å; D102-Y106 PolarHBondContact O-OH 3.16Å
103	F	97.5	Very high	96.7	Very high	161 Å²	161	55.8 Å²	55.8	71%	0.706	29%	0.289	S	S	*	.			trans	-63.2	105.2	170.4	-177.9	-96.9	0	0	0	110.6	P60 S100 E101	P60-F103 HydrophobicContact CG-CD1 4.44Å; P60-F103 HydrophobicContact CG-CE1 4.16Å; S100-F103 PolarHBondContact O-N 3.44Å; E101-F103 VanDerWaalsContact C-N 3.26Å
104	A	98.1	Very high	95.2	Very high	24 Å²	24	64 Å²	64	20%	0.198	32%	0.32	C	S	.	.	S	Bend	trans	-163.3	167.5	-173.5	0	0	0	0	0	110.3	Q57 Q58 K59 D102 Y106	Q57-A104 HydrophobicContact CG-CB 3.45Å; Q57-A104 VanDerWaalsContact CG-CB 3.45Å; Q58-A104 WeakPolarHBondContact O-CA 3.3Å; Q58-A104 WeakPolarHBondContact O-CB 3.47Å; K59-A104 HydrophobicContact CG-CB 4.15Å; D102-A104 PolarHBondContact O-N 3.12Å; A104-Y106 HydrophobicContact CB-CD2 4.49Å; A104-Y106 HydrophobicContact CB-CE2 3.92Å
105	V	98.3	Very high	93.4	Very high	77 Å²	77	71.4 Å²	71.4	47%	0.467	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.9	162.1	-168.6	0	0	0	0	108.8	Q58 Y107	Q58-V105 PolarHBondContact N-O 2.92Å; Q58-V105 PolarHBondContact O-N 2.84Å; V105-Y107 HydrophobicContact CB-CE2 3.94Å; V105-Y107 HydrophobicContact CG1-CD1 4.42Å; V105-Y107 HydrophobicContact CG1-CD2 4.48Å; V105-Y107 HydrophobicContact CG1-CE1 3.67Å; V105-Y107 HydrophobicContact CG1-CE2 3.73Å; V105-Y107 VanDerWaalsContact CG1-OH 3.25Å; V105-Y107 WeakPolarHBondContact CG1-OH 3.18Å
106	Y	98.6	Very high	93.1	Very high	24 Å²	24	74.7 Å²	74.7	9%	0.094	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.8	179.2	-66	-95.6	0	0	0	110.5	Q26 L41 Y56 Q57 L67 F82 L93 I95 D102 A104	Q26-Y106 PolarHBondContact NE2-O 3.39Å; Q26-Y106 VanDerWaalsContact NE2-O 3.09Å; L41-Y106 HydrophobicContact CD1-CD2 4.01Å; L41-Y106 HydrophobicContact CD1-CG 3.8Å; Y56-Y106 VanDerWaalsContact O-CA 3.3Å; Y56-Y106 WeakPolarHBondContact O-CA 3.2Å; Q57-Y106 HydrophobicContact CB-CD1 4.17Å; Q57-Y106 HydrophobicContact CB-CE1 3.91Å; Q57-Y106 HydrophobicContact CG-CD1 4.34Å; Q57-Y106 HydrophobicContact CG-CE1 3.76Å; Q57-Y106 PolarHBondContact NE2-OH 3.32Å; L67-Y106 HydrophobicContact CD2-CD1 4.08Å; L67-Y106 HydrophobicContact CD2-CE1 3.92Å; F82-Y106 HydrophobicContact CE1-CE1 4.23Å; L93-Y106 HydrophobicContact CD2-CD1 3.62Å; L93-Y106 HydrophobicContact CD2-CE1 4.15Å; L93-Y106 HydrophobicContact CD2-CG 4.32Å; I95-Y106 HydrophobicContact CD1-CE1 4.42Å; D102-Y106 WeakPolarHBondContact O-CE2 3.36Å; D102-Y106 PolarHBondContact O-OH 3.16Å; A104-Y106 HydrophobicContact CB-CD2 4.49Å; A104-Y106 HydrophobicContact CB-CE2 3.92Å
107	Y	98.1	Very high	92.8	Very high	96 Å²	96	75.9 Å²	75.9	38%	0.376	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.1	-177.8	-52.7	-81.6	0	0	0	110.4	Q26 W55 Y56 Q58 V105	Q26-Y107 VanDerWaalsContact OE1-CA 3.3Å; W55-Y107 CarbonylContact C-O 3.48Å; W55-Y107 VanDerWaalsContact CA-O 3.3Å; W55-Y107 WeakPolarHBondContact CA-O 3.45Å; Y56-Y107 PolarHBondContact N-O 3.49Å; Y56-Y107 PolarHBondContact O-N 2.92Å; Q58-Y107 HydrophobicContact CB-CD2 4.5Å; Q58-Y107 HydrophobicContact CB-CE2 3.83Å; Q58-Y107 PolarHBondContact OE1-OH 3.32Å; V105-Y107 HydrophobicContact CB-CE2 3.94Å; V105-Y107 HydrophobicContact CG1-CD1 4.42Å; V105-Y107 HydrophobicContact CG1-CD2 4.48Å; V105-Y107 HydrophobicContact CG1-CE1 3.67Å; V105-Y107 HydrophobicContact CG1-CE2 3.73Å; V105-Y107 VanDerWaalsContact CG1-OH 3.25Å; V105-Y107 WeakPolarHBondContact CG1-OH 3.18Å
108	C	98.2	Very high	92.5	Very high	13 Å²	13	75 Å²	75	9%	0.088	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142	165.8	69.6	0	0	0	0	109.6	Q26 C43 L53 A54 W55	Q26-C108 PolarHBondContact OE1-SG 2.88Å; C43-C108 HydrophobicContact CB-CB 3.51Å; C43-C108 WeakPolarHBondContact CB-SG 3.48Å; C43-C108 WeakPolarHBondContact SG-CB 3.47Å; C43-C108 CovalentContact SG-SG 2.01Å; C43-C108 PolarHBondContact SG-SG 3.43Å; L53-C108 HydrophobicContact CD1-CB 4.15Å; L53-C108 HydrophobicContact CD2-CB 4.37Å; L53-C108 HydrophobicContact CG-CB 4.5Å; A54-C108 CarbonylContact O-C 3.59Å; A54-C108 VanDerWaalsContact O-CA 3.26Å; A54-C108 WeakPolarHBondContact O-CA 3.44Å; W55-C108 HydrophobicContact CD2-CB 3.96Å; W55-C108 HydrophobicContact CE3-CB 3.8Å; W55-C108 HydrophobicContact CH2-CB 3.93Å; W55-C108 HydrophobicContact CZ2-CB 4.06Å; W55-C108 HydrophobicContact CZ3-CB 3.77Å
109	Q	97.2	Very high	92.2	Very high	49 Å²	49	77.7 Å²	77.7	23%	0.229	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	131.6	179.1	173.5	-110.7	-46.1	0	0	108.5	L53 A54 Y56 W114	L53-Q109 WeakPolarHBondContact CA-O 3.4Å; A54-Q109 PolarHBondContact N-O 3.5Å; A54-Q109 PolarHBondContact O-N 3.19Å; Y56-Q109 HydrophobicContact CE2-CB 4.02Å; Y56-Q109 PolarHBondContact OH-OE1 3.45Å; Q109-W114 VanDerWaalsContact NE2-CZ3 3.29Å
110	Q	96.6	Very high	91.8	Very high	22 Å²	22	77.7 Å²	77.7	10%	0.103	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.5	170.8	71	82.8	25.1	0	0	110.7	I22 M24 V49 N52 N113	I22-Q110 HydrophobicContact CB-CG 3.97Å; I22-Q110 HydrophobicContact CD1-CG 4.43Å; I22-Q110 HydrophobicContact CG2-CG 3.87Å; M24-Q110 HydrophobicContact CE-CB 4.33Å; M24-Q110 HydrophobicContact CG-CG 4.39Å; M24-Q110 HydrophobicContact SD-CB 3.77Å; M24-Q110 HydrophobicContact SD-CG 3.72Å; V49-Q110 HydrophobicContact CB-CB 4.02Å; V49-Q110 HydrophobicContact CG1-CB 3.57Å; V49-Q110 HydrophobicContact CG1-CG 3.97Å; V49-Q110 HydrophobicContact CG2-CB 4.24Å; N52-Q110 CarbonylContact O-C 3.54Å; N52-Q110 VanDerWaalsContact O-CA 3.29Å; N52-Q110 WeakPolarHBondContact O-CA 2.94Å; Q110-N113 PolarHBondContact NE2-O 3.03Å
111	Y	95.2	Very high	91.5	Very high	80 Å²	80	76.1 Å²	76.1	31%	0.314	38%	0.376	S	S	.	.			trans	-128.4	21.2	171.8	55.9	-95.2	0	0	0	112	N52 A54 G70	N52-Y111 VanDerWaalsContact C-CE1 3.44Å; N52-Y111 VanDerWaalsContact CA-CZ 3.43Å; N52-Y111 HydrophobicContact CB-CD2 3.61Å; N52-Y111 HydrophobicContact CB-CE1 4.47Å; N52-Y111 HydrophobicContact CB-CE2 3.45Å; N52-Y111 VanDerWaalsContact CB-CE2 3.45Å; N52-Y111 HydrophobicContact CB-CG 4.18Å; N52-Y111 PolarHBondContact O-N 3.15Å; N52-Y111 VanDerWaalsContact OD1-CE2 3.26Å; N52-Y111 WeakPolarHBondContact OD1-CE2 3.49Å; A54-Y111 HydrophobicContact CB-CD1 4.35Å; A54-Y111 HydrophobicContact CB-CE1 4.14Å; G70-Y111 VanDerWaalsContact CA-OH 3.3Å; G70-Y111 WeakPolarHBondContact CA-OH 3.41Å; G70-Y111 PolarHBondContact N-OH 3.05Å
112	N	92	Very high	91.2	Very high	68 Å²	68	75.9 Å²	75.9	36%	0.364	38%	0.376	S	S	.	.	S	Bend	trans	-70.3	-45.1	178.2	-171.9	68	0	0	0	112.4	V49 N52	V49-N112 HydrophobicContact CB-CB 3.69Å; V49-N112 HydrophobicContact CG1-CB 4.02Å; N52-N112 HydrophobicContact CB-CB 3.81Å; N52-N112 PolarHBondContact ND2-OD1 3.13Å
113	N	80	Confident	90.7	Very high	87 Å²	87	81.2 Å²	81.2	47%	0.465	40%	0.403	S	S	.	.	S	Bend	trans	-122.9	92.9	176.6	-164.3	14.5	0	0	0	106.6	I22 Q110	I22-N113 HydrophobicContact CD1-CB 3.83Å; I22-N113 HydrophobicContact CG1-CB 4.45Å; Q110-N113 PolarHBondContact NE2-O 3.03Å
114	W	68.8	Low	90.1	Very high	174 Å²	174	74.6 Å²	74.6	66%	0.659	38%	0.378	S	S	*	.			trans	-101.4	134.9	174.4	-166.5	-88.8	0	0	0	107.1	Q109	Q109-W114 VanDerWaalsContact NE2-CZ3 3.29Å
115	P	60.2	Low	89.4	Confident	181 Å²	181	79.2 Å²	79.2	100%	1.175	39%	0.394	S	S	*	.			trans	-58.3	0	174.9	24	-31.9	0	0	0	112.7

Retrieved 115 of 115 residues in 56.5 ms (Link to these results)

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