LV39_HUMAN Loading...

Immunoglobulin lambda variable 3-9

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 A0A075B6K5, Species HUMAN (Homo sapiens, Human), Gene IGLV3-9, Length 115 aa.

						>LV39_HUMAN|A0A075B6K5|IGLV3-9
MAWTALLLSLLAHFTGSVASYELTQPLSVSVALGQTARITCGGNNIGSKNVHWYQQKPGQAPVLVIYRDSNRPSGIPERFSGSNSGNTATLTISRAQAGDEADYYCQVWDSSTAH
					

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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	61.5	Low	65.2	Low	218 Å²	218	119.9 Å²	119.9	100%	1.074	65%	0.648	S	S	*	*				0	-8.8	0	-64.8	-162.4	-76	0	0	114.6	T4	M1-T4 PolarHBondContact O-OG1 3.48Å
2	A	66.3	Low	65.2	Low	77 Å²	77	115.3 Å²	115.3	64%	0.636	64%	0.638	S	S	*	*	H	α-helix	trans	-82.5	-19.9	179.3	0	0	0	0	0	115.2	A5	A2-A5 PolarHBondContact O-N 3.49Å
3	W	61.5	Low	64.8	Low	218 Å²	218	117.8 Å²	117.8	83%	0.826	64%	0.641	S	S	*	*	H	α-helix	trans	-73.1	-30.2	-176.8	-66.5	64.1	0	0	0	112.6	L6 L7	W3-L6 PolarHBondContact O-N 3.24Å; W3-L7 PolarHBondContact O-N 2.66Å; W3-L7 VanDerWaalsContact O-N 3.14Å
4	T	69.1	Low	64.8	Low	89 Å²	89	122.1 Å²	122.1	55%	0.546	65%	0.652	S	S	.	*	H	α-helix	trans	-63.2	-42.6	175	42.4	0	0	0	0	111.2	M1 L6 L7 L8	M1-T4 PolarHBondContact O-OG1 3.48Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 2.95Å; T4-L7 PolarHBondContact O-N 3.07Å; T4-L8 WeakPolarHBondContact O-CB 3.47Å; T4-L8 VanDerWaalsContact O-CD1 3.25Å; T4-L8 WeakPolarHBondContact O-CD1 3.43Å; T4-L8 PolarHBondContact O-N 3.11Å
5	A	69	Low	65.2	Low	63 Å²	63	121.9 Å²	121.9	52%	0.521	66%	0.657	S	S	.	*	H	α-helix	trans	-64	-36.1	178.5	0	0	0	0	0	113.2	A2 L8 S9	A2-A5 PolarHBondContact O-N 3.49Å; A5-L8 PolarHBondContact O-N 3.12Å; A5-S9 PolarHBondContact O-N 3.25Å
6	L	64.9	Low	65.7	Low	127 Å²	127	118.5 Å²	118.5	67%	0.665	66%	0.659	S	S	*	*	H	α-helix	trans	-74.9	-34.5	-179.6	-146.9	126.2	0	0	0	112.2	W3 T4 S9 L10	W3-L6 PolarHBondContact O-N 3.24Å; T4-L6 VanDerWaalsContact C-N 3.34Å; T4-L6 PolarHBondContact O-N 2.95Å; L6-S9 PolarHBondContact O-OG 2.82Å; L6-S9 VanDerWaalsContact O-OG 3.05Å; L6-L10 WeakPolarHBondContact O-CB 3.3Å; L6-L10 PolarHBondContact O-N 2.96Å
7	L	66.3	Low	66.5	Low	106 Å²	106	118.8 Å²	118.8	56%	0.555	67%	0.671	S	S	*	*	H	α-helix	trans	-66	-45.8	169	-82.8	157.1	0	0	0	111.1	W3 T4 S9 L10 L11	W3-L7 PolarHBondContact O-N 2.66Å; W3-L7 VanDerWaalsContact O-N 3.14Å; T4-L7 PolarHBondContact O-N 3.07Å; L7-S9 VanDerWaalsContact C-N 3.33Å; L7-S9 PolarHBondContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 2.86Å; L7-L11 WeakPolarHBondContact O-CD1 3.42Å; L7-L11 PolarHBondContact O-N 3.26Å
8	L	66.1	Low	67	Low	125 Å²	125	119.9 Å²	119.9	65%	0.654	68%	0.68	S	S	*	*	H	α-helix	trans	-60	-39.5	176.6	-93.1	133.1	0	0	0	112.6	T4 A5 A12	T4-L8 WeakPolarHBondContact O-CB 3.47Å; T4-L8 VanDerWaalsContact O-CD1 3.25Å; T4-L8 WeakPolarHBondContact O-CD1 3.43Å; T4-L8 PolarHBondContact O-N 3.11Å; A5-L8 PolarHBondContact O-N 3.12Å; L8-A12 PolarHBondContact O-N 3.46Å
9	S	65.3	Low	67.4	Low	55 Å²	55	119.4 Å²	119.4	39%	0.385	69%	0.692	S	S	.	*	H	α-helix	trans	-68.1	-46.4	174	74	0	0	0	0	111.1	A5 L6 L7 L11 A12 H13	A5-S9 PolarHBondContact O-N 3.25Å; L6-S9 PolarHBondContact O-OG 2.82Å; L6-S9 VanDerWaalsContact O-OG 3.05Å; L7-S9 VanDerWaalsContact C-N 3.33Å; L7-S9 PolarHBondContact O-N 3.11Å; S9-L11 VanDerWaalsContact C-N 3.31Å; S9-L11 PolarHBondContact O-N 2.88Å; S9-A12 WeakPolarHBondContact O-CB 3.29Å; S9-A12 PolarHBondContact O-N 3.31Å; S9-H13 PolarHBondContact O-CE1 2.85Å; S9-H13 PolarHBondContact O-ND1 3.14Å
10	L	62.5	Low	68	Low	107 Å²	107	117.4 Å²	117.4	56%	0.56	69%	0.685	S	S	*	*	H	α-helix	trans	-59.4	-38.7	-179.6	-161.5	77	0	0	0	112.8	L6 L7 A12 H13	L6-L10 WeakPolarHBondContact O-CB 3.3Å; L6-L10 PolarHBondContact O-N 2.96Å; L7-L10 PolarHBondContact O-N 2.86Å; L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3Å; L10-H13 PolarHBondContact O-N 3.47Å
11	L	64.4	Low	68.7	Low	134 Å²	134	117 Å²	117	70%	0.702	67%	0.674	S	S	*	*	H	α-helix	trans	-64.3	-28.4	174.3	-89.3	121.2	0	0	0	113.3	L7 S9 H13	L7-L11 WeakPolarHBondContact O-CD1 3.42Å; L7-L11 PolarHBondContact O-N 3.26Å; S9-L11 VanDerWaalsContact C-N 3.31Å; S9-L11 PolarHBondContact O-N 2.88Å; L11-H13 PolarHBondContact O-N 2.83Å
12	A	65.2	Low	70.1	Confident	64 Å²	64	113.2 Å²	113.2	53%	0.529	65%	0.653	S	S	.	*	H	α-helix	trans	-76.4	-16.9	-178.7	0	0	0	0	0	114.4	L8 S9 L10 T15	L8-A12 PolarHBondContact O-N 3.46Å; S9-A12 WeakPolarHBondContact O-CB 3.29Å; S9-A12 PolarHBondContact O-N 3.31Å; L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3Å; A12-T15 PolarHBondContact O-OG1 3.25Å
13	H	60.8	Low	71.5	Confident	148 Å²	148	112.5 Å²	112.5	69%	0.685	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	2.1	-174.4	-61.4	86	0	0	0	114.5	S9 L10 L11	S9-H13 PolarHBondContact O-CE1 2.85Å; S9-H13 PolarHBondContact O-ND1 3.14Å; L10-H13 PolarHBondContact O-N 3.47Å; L11-H13 PolarHBondContact O-N 2.83Å
14	F	64.6	Low	73.2	Confident	179 Å²	179	106.5 Å²	106.5	79%	0.785	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	17.2	178.4	-81.2	-77.6	0	0	0	114.3	G16	F14-G16 PolarHBondContact O-N 2.82Å
15	T	71.3	Confident	74.6	Confident	119 Å²	119	105.4 Å²	105.4	73%	0.73	61%	0.614	S	S	*	*			trans	-82.1	72.9	171.3	-21.5	0	0	0	0	109.6	A12 S17	A12-T15 PolarHBondContact O-OG1 3.25Å; T15-S17 PolarHBondContact O-N 2.83Å
16	G	73.2	Confident	76	Confident	67 Å²	67	104.9 Å²	104.9	69%	0.691	61%	0.606	S	S	*	*			trans	-66.8	125.5	165.8	0	0	0	0	0	109.4	F14 V18	F14-G16 PolarHBondContact O-N 2.82Å; G16-V18 PolarHBondContact O-N 2.83Å
17	S	78.9	Confident	77.5	Confident	124 Å²	124	107.8 Å²	107.8	87%	0.867	62%	0.621	S	S	*	*			trans	-81.2	114.8	171.1	-61.8	0	0	0	0	109.1	T15	T15-S17 PolarHBondContact O-N 2.83Å
18	V	75.4	Confident	79	Confident	138 Å²	138	107.3 Å²	107.3	84%	0.836	63%	0.627	S	S	*	*			trans	-84	125.6	166.3	-66.1	0	0	0	0	108.3	G16	G16-V18 PolarHBondContact O-N 2.83Å
19	A	74.8	Confident	80.6	Confident	110 Å²	110	104.3 Å²	104.3	91%	0.909	61%	0.613	S	S	*	*			trans	-82.3	113.4	168.4	0	0	0	0	0	108.3
20	S	79.8	Confident	82.1	Confident	79 Å²	79	107.3 Å²	107.3	55%	0.552	63%	0.634	S	S	*	*			trans	-88.6	143.9	171.2	48.7	0	0	0	0	110.5	E22	S20-E22 WeakPolarHBondContact OG-CG 3.49Å; S20-E22 PolarHBondContact OG-OE1 2.67Å
21	Y	82.2	Confident	83.8	Confident	111 Å²	111	105.1 Å²	105.1	44%	0.435	63%	0.625	S	S	.	*			trans	-90.1	113.9	164.7	-176	-92.7	0	0	0	108	L23 N44 I46	Y21-L23 HydrophobicContact CE1-CD2 3.79Å; Y21-L23 HydrophobicContact CE1-CG 4.37Å; Y21-N44 HydrophobicContact CE2-CB 4.23Å; Y21-N44 PolarHBondContact OH-O 3.45Å; Y21-I46 WeakPolarHBondContact OH-CG1 3.38Å
22	E	90.5	Very high	85.4	Confident	137 Å²	137	101.9 Å²	101.9	64%	0.64	62%	0.618	S	S	*	*			trans	-110.5	137.4	-172.4	-61.4	-166.9	171.2	0	0	112.1	S20	S20-E22 WeakPolarHBondContact OG-CG 3.49Å; S20-E22 PolarHBondContact OG-OE1 2.67Å
23	L	95.9	Very high	87	Confident	62 Å²	62	104.7 Å²	104.7	33%	0.325	62%	0.623	S	S	.	*			trans	-104.7	141.9	170.6	-61.6	176.5	0	0	0	108.8	Y21 G42 I46 V108	Y21-L23 HydrophobicContact CE1-CD2 3.79Å; Y21-L23 HydrophobicContact CE1-CG 4.37Å; L23-G42 CarbonylContact C-O 3.57Å; L23-G42 WeakPolarHBondContact CA-O 3.49Å; L23-I46 HydrophobicContact CD2-CD1 3.59Å; L23-I46 HydrophobicContact CD2-CG1 4.41Å; L23-V108 HydrophobicContact CD1-CB 4.5Å; L23-V108 HydrophobicContact CD1-CG2 3.8Å; L23-V108 HydrophobicContact CD2-CG2 3.62Å; L23-V108 HydrophobicContact CG-CG2 4.37Å
24	T	97.6	Very high	88.8	Confident	92 Å²	92	99.8 Å²	99.8	56%	0.564	61%	0.612	S	S	*	*	B	Isolated β-bridge	trans	-118.3	132	179.5	52.2	0	0	0	0	110.1	C41 G42	T24-C41 CarbonylContact O-C 3.6Å; T24-C41 WeakPolarHBondContact O-CA 3.28Å; T24-G42 PolarHBondContact N-O 3.2Å; T24-G42 PolarHBondContact O-N 3.31Å; T24-G42 PolarHBondContact OG1-O 3.46Å
25	Q	98.4	Very high	90.4	Very high	66 Å²	66	97 Å²	97	31%	0.308	60%	0.602	S	S	.	*			trans	-132.6	154.2	174.5	-60.3	-170.6	158.8	0	0	109.6	C41 Y104 C106	Q25-C41 HydrophobicContact CG-CB 4.4Å; Q25-Y104 PolarHBondContact NE2-O 3.03Å; Q25-C106 PolarHBondContact OE1-SG 3.46Å
26	P	98.2	Very high	91.7	Very high	53 Å²	53	94.3 Å²	94.3	34%	0.344	59%	0.586	S	S	.	*			trans	-57.2	139.9	165.1	-20.1	31.9	0	0	0	110.6	S28 V29 T40	P26-S28 VanDerWaalsContact C-N 3.27Å; P26-S28 PolarHBondContact O-N 2.91Å; P26-V29 HydrophobicContact CB-CG2 4.02Å; P26-V29 HydrophobicContact CG-CG2 4.33Å; P26-T40 VanDerWaalsContact CD-O 3.23Å; P26-T40 WeakPolarHBondContact CD-O 3.27Å
27	L	96.7	Very high	92.9	Very high	188 Å²	188	91.5 Å²	91.5	98%	0.984	56%	0.556	S	S	*	*	S	Bend	trans	-66	-31.4	178	-68.5	175.7	0	0	0	112.7
28	S	98	Very high	93.9	Very high	96 Å²	96	93.3 Å²	93.3	67%	0.671	54%	0.543	S	S	*	.			trans	-154.8	152.1	175.2	61.8	0	0	0	0	110.3	P26	P26-S28 VanDerWaalsContact C-N 3.27Å; P26-S28 PolarHBondContact O-N 2.91Å
29	V	98.1	Very high	95	Very high	61 Å²	61	87.5 Å²	87.5	37%	0.37	51%	0.507	S	S	.	.			trans	-134.6	122.5	172.8	177.9	0	0	0	0	107.3	P26 I39	P26-V29 HydrophobicContact CB-CG2 4.02Å; P26-V29 HydrophobicContact CG-CG2 4.33Å; V29-I39 HydrophobicContact CB-CG1 4.46Å; V29-I39 HydrophobicContact CG2-CG1 4.25Å
30	S	98.1	Very high	96.1	Very high	118 Å²	118	85 Å²	85	83%	0.825	48%	0.481	S	S	*	.			trans	-108.3	139.7	175.8	-58.3	0	0	0	0	110.5
31	V	98.1	Very high	97	Very high	62 Å²	62	81.2 Å²	81.2	38%	0.376	46%	0.455	S	S	.	.			trans	-145.6	144.4	-178.1	67.5	0	0	0	0	109.6	Q35 A37 A96	V31-Q35 HydrophobicContact CG2-CB 3.67Å; V31-A37 HydrophobicContact CB-CB 4.2Å; V31-A37 HydrophobicContact CG1-CB 3.86Å; V31-A37 HydrophobicContact CG2-CB 4.38Å; V31-A96 HydrophobicContact CG1-CB 3.81Å
32	A	98.4	Very high	97.7	Very high	66 Å²	66	76.6 Å²	76.6	55%	0.545	44%	0.44	S	S	.	.			trans	-74.5	148.6	172.7	0	0	0	0	0	111	G34 Q35	A32-G34 PolarHBondContact O-N 2.96Å; A32-Q35 HydrophobicContact CB-CG 3.99Å; A32-Q35 VanDerWaalsContact O-CB 3.29Å; A32-Q35 WeakPolarHBondContact O-CB 3.42Å; A32-Q35 PolarHBondContact O-N 2.83Å
33	L	98.3	Very high	98	Very high	122 Å²	122	70.6 Å²	70.6	64%	0.639	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	139.3	175.4	-61.8	-178.2	0	0	0	111.2	Q35 A96 A98	L33-Q35 PolarHBondContact O-N 3.33Å; L33-A96 WeakPolarHBondContact CA-O 3.38Å; L33-A98 HydrophobicContact CD2-CB 4.38Å
34	G	98.4	Very high	97.8	Very high	45 Å²	45	73.5 Å²	73.5	46%	0.464	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	-11.7	-176.2	0	0	0	0	0	115.1	A32 A96	A32-G34 PolarHBondContact O-N 2.96Å; G34-A96 PolarHBondContact N-O 3.44Å
35	Q	98.6	Very high	97.5	Very high	121 Å²	121	73.7 Å²	73.7	57%	0.565	43%	0.429	S	S	*	.	S	Bend	trans	-84.8	-180	174.7	-59.5	-61.2	-60	0	0	111.7	V31 A32 L33 R95 A96	V31-Q35 HydrophobicContact CG2-CB 3.67Å; A32-Q35 HydrophobicContact CB-CG 3.99Å; A32-Q35 VanDerWaalsContact O-CB 3.29Å; A32-Q35 WeakPolarHBondContact O-CB 3.42Å; A32-Q35 PolarHBondContact O-N 2.83Å; L33-Q35 PolarHBondContact O-N 3.33Å; Q35-R95 PolarHBondContact O-N 3.2Å; Q35-R95 VanDerWaalsContact O-N 3.14Å; Q35-A96 WeakPolarHBondContact O-CB 3.43Å; Q35-A96 PolarHBondContact O-N 2.84Å
36	T	98.7	Very high	97.3	Very high	63 Å²	63	70.6 Å²	70.6	39%	0.387	42%	0.415	S	S	.	.			trans	-104.7	119.5	179.9	-60.9	0	0	0	0	110.7	T92 I93	T36-T92 HydrophobicContact CG2-CG2 3.52Å; T36-I93 CarbonylContact C-O 2.98Å; T36-I93 WeakPolarHBondContact CA-O 3.46Å
37	A	98.6	Very high	97.1	Very high	7 Å²	7	69.8 Å²	69.8	6%	0.058	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	146	170.5	0	0	0	0	0	110.4	V31 T92 I93	V31-A37 HydrophobicContact CB-CB 4.2Å; V31-A37 HydrophobicContact CG1-CB 3.86Å; V31-A37 HydrophobicContact CG2-CB 4.38Å; A37-T92 WeakPolarHBondContact O-CA 3.23Å; A37-I93 HydrophobicContact CB-CB 4.08Å; A37-I93 PolarHBondContact N-O 3.35Å; A37-I93 PolarHBondContact O-N 2.86Å
38	R	98.7	Very high	97	Very high	162 Å²	162	64.5 Å²	64.5	61%	0.611	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.5	170	-70.6	-173.9	170.7	95	-1.5	109.6	T90 L91 T92	R38-T90 HydrophobicContact CB-CG2 4.14Å; R38-T90 HydrophobicContact CG-CG2 4.34Å; R38-L91 CarbonylContact C-O 3.51Å; R38-L91 WeakPolarHBondContact CA-O 3.41Å; R38-T92 HydrophobicContact CG-CG2 4.43Å
39	I	98.7	Very high	96.8	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.082	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.8	178.4	-52.9	175.6	0	0	0	107.1	V29 W53 T90 L91 Y104	V29-I39 HydrophobicContact CB-CG1 4.46Å; V29-I39 HydrophobicContact CG2-CG1 4.25Å; I39-W53 HydrophobicContact CB-CH2 4.41Å; I39-W53 HydrophobicContact CB-CZ3 4.36Å; I39-W53 HydrophobicContact CG2-CH2 4.09Å; I39-W53 HydrophobicContact CG2-CZ3 3.89Å; I39-W53 WeakPolarHBondContact O-CH2 3.29Å; I39-T90 CarbonylContact O-C 3.57Å; I39-T90 VanDerWaalsContact O-CA 3.31Å; I39-T90 WeakPolarHBondContact O-CA 3.41Å; I39-L91 HydrophobicContact CB-CB 4.36Å; I39-L91 HydrophobicContact CD1-CD2 4.39Å; I39-L91 PolarHBondContact N-O 3.23Å; I39-L91 PolarHBondContact O-N 3.2Å; I39-Y104 HydrophobicContact CD1-CD2 3.6Å; I39-Y104 HydrophobicContact CD1-CE2 4.24Å; I39-Y104 HydrophobicContact CD1-CG 3.76Å
40	T	98.6	Very high	96.6	Very high	58 Å²	58	60.9 Å²	60.9	36%	0.356	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	147.5	-178.5	53.2	0	0	0	0	111.4	P26 T88 A89	P26-T40 VanDerWaalsContact CD-O 3.23Å; P26-T40 WeakPolarHBondContact CD-O 3.27Å; T40-T88 HydrophobicContact CG2-CG2 4.25Å; T40-A89 CarbonylContact C-O 3.52Å; T40-A89 WeakPolarHBondContact CA-O 3.03Å
41	C	98.4	Very high	96.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	111.2	171.6	172	0	0	0	0	108.1	T24 Q25 W53 T88 A89 C106	T24-C41 CarbonylContact O-C 3.6Å; T24-C41 WeakPolarHBondContact O-CA 3.28Å; Q25-C41 HydrophobicContact CG-CB 4.4Å; C41-W53 HydrophobicContact CB-CH2 3.59Å; C41-W53 HydrophobicContact CB-CZ2 3.75Å; C41-T88 WeakPolarHBondContact O-CA 2.98Å; C41-A89 HydrophobicContact CB-CB 4.39Å; C41-A89 PolarHBondContact N-O 3.31Å; C41-A89 PolarHBondContact O-N 2.81Å; C41-C106 HydrophobicContact CB-CB 3.41Å; C41-C106 VanDerWaalsContact CB-CB 3.41Å; C41-C106 WeakPolarHBondContact CB-SG 3.41Å; C41-C106 WeakPolarHBondContact SG-CB 3.2Å; C41-C106 CovalentContact SG-SG 2.02Å; C41-C106 PolarHBondContact SG-SG 2.95Å
42	G	98	Very high	96.6	Very high	13 Å²	13	53.6 Å²	53.6	13%	0.134	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142.3	-178.6	0	0	0	0	0	112.1	L23 T24 N87	L23-G42 CarbonylContact C-O 3.57Å; L23-G42 WeakPolarHBondContact CA-O 3.49Å; T24-G42 PolarHBondContact N-O 3.2Å; T24-G42 PolarHBondContact O-N 3.31Å; T24-G42 PolarHBondContact OG1-O 3.46Å; G42-N87 WeakPolarHBondContact CA-O 3.44Å
43	G	95.2	Very high	96.6	Very high	12 Å²	12	50.5 Å²	50.5	12%	0.124	29%	0.287	C	S	.	.			trans	177.5	170.3	171.9	0	0	0	0	0	112.2	N45 I46 N87	G43-N45 PolarHBondContact O-N 3.34Å; G43-I46 VanDerWaalsContact CA-CD1 3.43Å; G43-I46 WeakPolarHBondContact O-CG1 3.18Å; G43-N87 PolarHBondContact N-O 2.84Å; G43-N87 CarbonylContact O-C 3.5Å; G43-N87 VanDerWaalsContact O-CA 3.23Å; G43-N87 WeakPolarHBondContact O-CA 3.43Å; G43-N87 VanDerWaalsContact O-CB 3.25Å; G43-N87 WeakPolarHBondContact O-CB 3.44Å; G43-N87 VanDerWaalsContact O-O 3.06Å
44	N	92.2	Very high	96.7	Very high	122 Å²	122	47.9 Å²	47.9	65%	0.652	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	124.6	-170.4	-70.4	-23.4	0	0	0	111.9	Y21 I46	Y21-N44 HydrophobicContact CE2-CB 4.23Å; Y21-N44 PolarHBondContact OH-O 3.45Å; N44-I46 PolarHBondContact O-N 2.91Å
45	N	91.6	Very high	96.7	Very high	97 Å²	97	47.1 Å²	47.1	52%	0.519	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	33	173.3	-166.6	31.8	0	0	0	114.3	G43 G47 S48 N87	G43-N45 PolarHBondContact O-N 3.34Å; N45-G47 PolarHBondContact O-N 2.87Å; N45-S48 VanDerWaalsContact CG-OG 3.24Å; N45-S48 PolarHBondContact ND2-OG 2.96Å; N45-S48 PolarHBondContact O-N 3.49Å; N45-S48 PolarHBondContact O-OG 3.32Å; N45-S48 PolarHBondContact OD1-OG 3.22Å; N45-N87 PolarHBondContact N-OD1 2.77Å
46	I	94.2	Very high	96.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-62.6	-30	-179.4	-65.6	178.7	0	0	0	112	Y21 L23 G43 N44 S48 K49 V51 N84 G86 A89 V108	Y21-I46 WeakPolarHBondContact OH-CG1 3.38Å; L23-I46 HydrophobicContact CD2-CD1 3.59Å; L23-I46 HydrophobicContact CD2-CG1 4.41Å; G43-I46 VanDerWaalsContact CA-CD1 3.43Å; G43-I46 WeakPolarHBondContact O-CG1 3.18Å; N44-I46 PolarHBondContact O-N 2.91Å; I46-S48 PolarHBondContact O-N 2.96Å; I46-K49 WeakPolarHBondContact O-CA 3.21Å; I46-K49 WeakPolarHBondContact O-CB 3.27Å; I46-K49 PolarHBondContact O-N 2.82Å; I46-K49 VanDerWaalsContact O-O 3.1Å; I46-V51 HydrophobicContact CG2-CG2 3.23Å; I46-N84 WeakPolarHBondContact CG2-OD1 3.46Å; I46-N84 PolarHBondContact O-ND2 2.75Å; I46-G86 PolarHBondContact N-O 2.94Å; I46-A89 HydrophobicContact CG2-CB 4.46Å; I46-V108 HydrophobicContact CD1-CG2 3.88Å; I46-V108 HydrophobicContact CG1-CG1 4.38Å; I46-V108 HydrophobicContact CG1-CG2 4.01Å; I46-V108 HydrophobicContact CG2-CG1 4.18Å; I46-V108 HydrophobicContact CG2-CG2 3.93Å
47	G	94.4	Very high	96.6	Very high	36 Å²	36	44 Å²	44	37%	0.371	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-62.7	-14.6	179.7	0	0	0	0	0	114.7	N45 N84 G86	N45-G47 PolarHBondContact O-N 2.87Å; G47-N84 WeakPolarHBondContact CA-OD1 3.38Å; G47-N84 PolarHBondContact N-OD1 3.06Å; G47-G86 PolarHBondContact N-O 2.91Å
48	S	93.5	Very high	96.6	Very high	77 Å²	77	49.2 Å²	49.2	54%	0.538	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-93.7	0	173	68.2	0	0	0	0	113.9	N45 I46	N45-S48 VanDerWaalsContact CG-OG 3.24Å; N45-S48 PolarHBondContact ND2-OG 2.96Å; N45-S48 PolarHBondContact O-N 3.49Å; N45-S48 PolarHBondContact O-OG 3.32Å; N45-S48 PolarHBondContact OD1-OG 3.22Å; I46-S48 PolarHBondContact O-N 2.96Å
49	K	93.3	Very high	96.5	Very high	35 Å²	35	45.9 Å²	45.9	15%	0.152	28%	0.283	C	S	.	.	S	Bend	trans	-122	164.8	-173.4	-59.3	-176	-173.5	-155.4	0	109.7	I46 N84 V108 W109 D110	I46-K49 WeakPolarHBondContact O-CA 3.21Å; I46-K49 WeakPolarHBondContact O-CB 3.27Å; I46-K49 PolarHBondContact O-N 2.82Å; I46-K49 VanDerWaalsContact O-O 3.1Å; K49-N84 PolarHBondContact O-ND2 2.75Å; K49-V108 HydrophobicContact CB-CG1 3.49Å; K49-V108 VanDerWaalsContact CB-CG1 3.49Å; K49-V108 HydrophobicContact CD-CG1 3.46Å; K49-V108 VanDerWaalsContact CD-CG1 3.46Å; K49-V108 HydrophobicContact CG-CG1 4.09Å; K49-W109 WeakPolarHBondContact CB-O 3.39Å; K49-D110 HydrophobicContact CD-CB 4.12Å; K49-D110 WeakPolarHBondContact CE-OD2 3.25Å; K49-D110 IonicContact NZ-OD2 2.75Å; K49-D110 PolarHBondContact NZ-OD2 3.41Å
50	N	95.6	Very high	96.5	Very high	47 Å²	47	50.5 Å²	50.5	25%	0.251	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.7	173.7	-74.1	-76.3	0	0	0	110.2	V108 W109	N50-V108 CarbonylContact O-C 3.57Å; N50-V108 WeakPolarHBondContact O-CA 3.25Å; N50-W109 HydrophobicContact CB-CB 4.27Å; N50-W109 PolarHBondContact N-O 3.19Å; N50-W109 VanDerWaalsContact N-O 3.1Å; N50-W109 PolarHBondContact O-N 3.05Å
51	V	97.6	Very high	96.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.8	172.3	-176.5	0	0	0	0	111.4	I46 R68 D69 N84 A89 C106 Q107 V108	I46-V51 HydrophobicContact CG2-CG2 3.23Å; V51-R68 PolarHBondContact O-N 2.93Å; V51-D69 PolarHBondContact N-OD1 3.04Å; V51-D69 PolarHBondContact O-N 2.78Å; V51-N84 HydrophobicContact CG2-CB 4.43Å; V51-A89 HydrophobicContact CB-CB 4.07Å; V51-A89 HydrophobicContact CG1-CB 3.81Å; V51-A89 HydrophobicContact CG2-CB 3.82Å; V51-C106 HydrophobicContact CG1-CB 4.27Å; V51-Q107 WeakPolarHBondContact CA-O 3.27Å; V51-V108 HydrophobicContact CG2-CG2 4.14Å
52	H	98.4	Very high	96.5	Very high	26 Å²	26	54.6 Å²	54.6	12%	0.12	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.5	173.4	-57.2	-86.6	0	0	0	109.1	Y54 L64 I66 Y67 R68 C106 Q107	H52-Y54 HydrophobicContact CB-CE2 3.75Å; H52-L64 HydrophobicContact CB-CD1 4.07Å; H52-I66 CarbonylContact C-O 3.55Å; H52-I66 VanDerWaalsContact CA-O 3.26Å; H52-I66 WeakPolarHBondContact CA-O 3.35Å; H52-Y67 VanDerWaalsContact ND1-CA 3.27Å; H52-Y67 WeakPolarHBondContact ND1-CA 3.49Å; H52-Y67 WeakPolarHBondContact ND1-CB 3.38Å; H52-R68 PolarHBondContact CE1-N 2.88Å; H52-C106 CarbonylContact O-C 3.5Å; H52-C106 VanDerWaalsContact O-CA 3.29Å; H52-C106 WeakPolarHBondContact O-CA 3.45Å; H52-Q107 HydrophobicContact CB-CB 4.45Å; H52-Q107 PolarHBondContact CD2-OE1 2.78Å; H52-Q107 PolarHBondContact N-O 3.39Å; H52-Q107 PolarHBondContact O-N 2.82Å
53	W	98.8	Very high	96.5	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.2	174.5	-69.1	91.1	0	0	0	110.1	I39 C41 V65 I66 A89 L91 Y105 C106	I39-W53 HydrophobicContact CB-CH2 4.41Å; I39-W53 HydrophobicContact CB-CZ3 4.36Å; I39-W53 HydrophobicContact CG2-CH2 4.09Å; I39-W53 HydrophobicContact CG2-CZ3 3.89Å; I39-W53 WeakPolarHBondContact O-CH2 3.29Å; C41-W53 HydrophobicContact CB-CH2 3.59Å; C41-W53 HydrophobicContact CB-CZ2 3.75Å; W53-V65 HydrophobicContact CB-CG2 3.79Å; W53-V65 VanDerWaalsContact O-CG2 3.27Å; W53-V65 WeakPolarHBondContact O-CG2 3.32Å; W53-V65 PolarHBondContact O-N 2.82Å; W53-I66 HydrophobicContact CB-CB 4.05Å; W53-I66 HydrophobicContact CG-CB 4.4Å; W53-I66 PolarHBondContact N-O 2.87Å; W53-I66 PolarHBondContact O-N 2.84Å; W53-A89 HydrophobicContact CZ2-CB 4.38Å; W53-L91 HydrophobicContact CB-CD1 4.21Å; W53-L91 HydrophobicContact CB-CD2 4.33Å; W53-L91 HydrophobicContact CD2-CB 3.58Å; W53-L91 HydrophobicContact CD2-CD1 4.48Å; W53-L91 HydrophobicContact CD2-CD2 4.18Å; W53-L91 HydrophobicContact CD2-CG 4.3Å; W53-L91 HydrophobicContact CE3-CB 3.8Å; W53-L91 HydrophobicContact CE3-CD2 3.96Å; W53-L91 HydrophobicContact CE3-CG 4.46Å; W53-L91 HydrophobicContact CG-CB 4.05Å; W53-L91 HydrophobicContact CG-CD1 4.09Å; W53-L91 HydrophobicContact CG-CD2 4.36Å; W53-L91 HydrophobicContact CG-CG 4.41Å; W53-L91 HydrophobicContact CH2-CB 4.06Å; W53-L91 HydrophobicContact CZ2-CB 3.88Å; W53-L91 HydrophobicContact CZ3-CB 4.03Å; W53-Y105 CarbonylContact C-O 3.58Å; W53-Y105 WeakPolarHBondContact CA-O 3.38Å; W53-C106 HydrophobicContact CD2-CB 4.17Å; W53-C106 HydrophobicContact CE3-CB 4Å; W53-C106 HydrophobicContact CH2-CB 3.99Å; W53-C106 HydrophobicContact CZ2-CB 4.13Å; W53-C106 HydrophobicContact CZ3-CB 3.91Å
54	Y	98.7	Very high	96.7	Very high	67 Å²	67	59.6 Å²	59.6	26%	0.263	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	141.4	178.7	-60.1	-96.3	0	0	0	109.8	H52 P62 V63 L64 Y104 Y105 Q107	H52-Y54 HydrophobicContact CB-CE2 3.75Å; Y54-P62 HydrophobicContact CD1-CB 4.46Å; Y54-V63 CarbonylContact C-O 3.56Å; Y54-V63 VanDerWaalsContact CA-O 3.23Å; Y54-V63 WeakPolarHBondContact CA-O 3.29Å; Y54-L64 HydrophobicContact CD1-CB 4.15Å; Y54-L64 HydrophobicContact CD1-CD1 4.19Å; Y54-L64 HydrophobicContact CE1-CB 3.98Å; Y54-L64 HydrophobicContact CE1-CD1 3.69Å; Y54-L64 HydrophobicContact CE1-CG 4.42Å; Y54-L64 HydrophobicContact CE2-CD1 4.22Å; Y54-Y104 VanDerWaalsContact O-CA 3.28Å; Y54-Y104 WeakPolarHBondContact O-CA 3.15Å; Y54-Y105 PolarHBondContact N-O 3.45Å; Y54-Y105 PolarHBondContact O-N 3.18Å; Y54-Q107 HydrophobicContact CE2-CB 3.9Å
55	Q	98.7	Very high	97	Very high	30 Å²	30	53.9 Å²	53.9	14%	0.14	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.7	170.6	-178.6	-173.7	69.7	0	0	108.7	P62 V63 V65 A102 D103 Y104	Q55-P62 WeakPolarHBondContact O-CA 3.33Å; Q55-V63 PolarHBondContact N-O 2.86Å; Q55-V63 PolarHBondContact O-N 2.84Å; Q55-V65 HydrophobicContact CB-CG1 3.63Å; Q55-A102 HydrophobicContact CG-CB 3.4Å; Q55-D103 CarbonylContact C-O 3.6Å; Q55-Y104 HydrophobicContact CB-CD1 4.12Å; Q55-Y104 HydrophobicContact CB-CE1 3.77Å; Q55-Y104 HydrophobicContact CG-CD1 4.41Å; Q55-Y104 HydrophobicContact CG-CE1 3.79Å; Q55-Y104 PolarHBondContact NE2-OH 3.41Å
56	Q	98.6	Very high	97.3	Very high	53 Å²	53	49.2 Å²	49.2	25%	0.248	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.9	173.8	-172.5	173.4	16.4	0	0	110.3	Q60 P62 A102 D103 Y105	Q56-Q60 WeakPolarHBondContact CG-O 3.49Å; Q56-Q60 PolarHBondContact NE2-O 2.8Å; Q56-P62 HydrophobicContact CB-CB 4.38Å; Q56-P62 HydrophobicContact CB-CG 4.26Å; Q56-P62 HydrophobicContact CG-CG 4.2Å; Q56-A102 WeakPolarHBondContact O-CB 3.37Å; Q56-D103 HydrophobicContact CB-CB 4.39Å; Q56-D103 PolarHBondContact N-O 2.82Å; Q56-D103 PolarHBondContact O-N 2.86Å; Q56-Y105 HydrophobicContact CB-CD2 4.42Å; Q56-Y105 HydrophobicContact CB-CE2 3.86Å; Q56-Y105 VanDerWaalsContact OE1-CE2 3.27Å
57	K	98.1	Very high	97.5	Very high	64 Å²	64	53 Å²	53	28%	0.278	32%	0.321	S	S	.	.			trans	-86.4	155.1	172.5	-70.4	-179.1	176.6	-175.7	0	110.5	G59 Q60 G99 A102	K57-G59 PolarHBondContact O-N 2.98Å; K57-Q60 HydrophobicContact CB-CB 4.3Å; K57-Q60 HydrophobicContact CB-CG 4.22Å; K57-Q60 PolarHBondContact O-N 2.86Å; K57-G99 WeakPolarHBondContact CE-O 3.29Å; K57-G99 PolarHBondContact NZ-O 3.49Å; K57-A102 HydrophobicContact CG-CB 4.06Å
58	P	97.5	Very high	97.6	Very high	117 Å²	117	58.7 Å²	58.7	76%	0.76	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	126.6	177.4	-28.3	35.4	0	0	0	112.3	Q60	P58-Q60 PolarHBondContact O-N 2.91Å
59	G	97.6	Very high	97.8	Very high	92 Å²	92	56.9 Å²	56.9	95%	0.948	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	7.1	179.9	0	0	0	0	0	115.7	K57	K57-G59 PolarHBondContact O-N 2.98Å
60	Q	98	Very high	98	Very high	114 Å²	114	58.4 Å²	58.4	53%	0.533	33%	0.33	S	S	.	.	S	Bend	trans	-112.2	160.3	178.2	-58.8	-174.2	10.9	0	0	111.4	Q56 K57 P58	Q56-Q60 WeakPolarHBondContact CG-O 3.49Å; Q56-Q60 PolarHBondContact NE2-O 2.8Å; K57-Q60 HydrophobicContact CB-CB 4.3Å; K57-Q60 HydrophobicContact CB-CG 4.22Å; K57-Q60 PolarHBondContact O-N 2.86Å; P58-Q60 PolarHBondContact O-N 2.91Å
61	A	98	Very high	98.2	Very high	74 Å²	74	59.4 Å²	59.4	61%	0.612	34%	0.335	S	S	*	.			trans	-74.2	152	170.1	0	0	0	0	0	110.7	V63	A61-V63 PolarHBondContact O-N 2.91Å
62	P	98.2	Very high	98.2	Very high	69 Å²	69	63.8 Å²	63.8	45%	0.448	35%	0.352	S	S	.	.			trans	-59.4	135	172.7	-22.4	32.7	0	0	0	112.3	Y54 Q55 Q56	Y54-P62 HydrophobicContact CD1-CB 4.46Å; Q55-P62 WeakPolarHBondContact O-CA 3.33Å; Q56-P62 HydrophobicContact CB-CB 4.38Å; Q56-P62 HydrophobicContact CB-CG 4.26Å; Q56-P62 HydrophobicContact CG-CG 4.2Å
63	V	98.3	Very high	98.2	Very high	78 Å²	78	64.3 Å²	64.3	47%	0.473	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.7	177.5	179.2	0	0	0	0	109.6	Y54 Q55 A61 V65	Y54-V63 CarbonylContact C-O 3.56Å; Y54-V63 VanDerWaalsContact CA-O 3.23Å; Y54-V63 WeakPolarHBondContact CA-O 3.29Å; Q55-V63 PolarHBondContact N-O 2.86Å; Q55-V63 PolarHBondContact O-N 2.84Å; A61-V63 PolarHBondContact O-N 2.91Å; V63-V65 PolarHBondContact O-N 2.98Å
64	L	98.7	Very high	98.2	Very high	52 Å²	52	70.5 Å²	70.5	27%	0.272	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	124.1	177.5	-176	67.3	0	0	0	110.7	H52 Y54 I66 Y67 P73	H52-L64 HydrophobicContact CB-CD1 4.07Å; Y54-L64 HydrophobicContact CD1-CB 4.15Å; Y54-L64 HydrophobicContact CD1-CD1 4.19Å; Y54-L64 HydrophobicContact CE1-CB 3.98Å; Y54-L64 HydrophobicContact CE1-CD1 3.69Å; Y54-L64 HydrophobicContact CE1-CG 4.42Å; Y54-L64 HydrophobicContact CE2-CD1 4.22Å; L64-I66 VanDerWaalsContact CD1-O 3.25Å; L64-I66 WeakPolarHBondContact CD1-O 3.23Å; L64-Y67 HydrophobicContact CD2-CD1 4.42Å; L64-P73 HydrophobicContact CB-CG 4.3Å; L64-P73 HydrophobicContact CD2-CG 3.91Å; L64-P73 HydrophobicContact CG-CG 3.91Å
65	V	98.7	Very high	98.1	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.012	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-35.2	177.2	-63.4	0	0	0	0	113	W53 Q55 V63 P73 I76 L91	W53-V65 HydrophobicContact CB-CG2 3.79Å; W53-V65 VanDerWaalsContact O-CG2 3.27Å; W53-V65 WeakPolarHBondContact O-CG2 3.32Å; W53-V65 PolarHBondContact O-N 2.82Å; Q55-V65 HydrophobicContact CB-CG1 3.63Å; V63-V65 PolarHBondContact O-N 2.98Å; V65-P73 WeakPolarHBondContact O-CD 3.28Å; V65-I76 HydrophobicContact CB-CG2 4.3Å; V65-I76 HydrophobicContact CG1-CD1 4.17Å; V65-L91 HydrophobicContact CG2-CD1 4.46Å
66	I	98.8	Very high	98.1	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	139.3	173.7	-58.8	-68.6	0	0	0	109.3	H52 W53 L64 N71 R72 F80 L91	H52-I66 CarbonylContact C-O 3.55Å; H52-I66 VanDerWaalsContact CA-O 3.26Å; H52-I66 WeakPolarHBondContact CA-O 3.35Å; W53-I66 HydrophobicContact CB-CB 4.05Å; W53-I66 HydrophobicContact CG-CB 4.4Å; W53-I66 PolarHBondContact N-O 2.87Å; W53-I66 PolarHBondContact O-N 2.84Å; L64-I66 VanDerWaalsContact CD1-O 3.25Å; L64-I66 WeakPolarHBondContact CD1-O 3.23Å; I66-N71 CarbonylContact C-O 3.48Å; I66-N71 VanDerWaalsContact CA-O 3.25Å; I66-N71 WeakPolarHBondContact CA-O 3.41Å; I66-R72 HydrophobicContact CD1-CG 3.58Å; I66-F80 HydrophobicContact CD1-CB 4.38Å; I66-L91 HydrophobicContact CG1-CD1 3.68Å
67	Y	98.1	Very high	98	Very high	79 Å²	79	71.3 Å²	71.3	31%	0.31	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-134.3	153.5	172.8	72	-86.8	0	0	0	111.7	H52 L64 D69 N71 P73	H52-Y67 VanDerWaalsContact ND1-CA 3.27Å; H52-Y67 WeakPolarHBondContact ND1-CA 3.49Å; H52-Y67 WeakPolarHBondContact ND1-CB 3.38Å; L64-Y67 HydrophobicContact CD2-CD1 4.42Å; Y67-D69 VanDerWaalsContact C-N 3.28Å; Y67-D69 PolarHBondContact O-N 2.91Å; Y67-N71 HydrophobicContact CD1-CB 3.89Å; Y67-N71 WeakPolarHBondContact CD1-O 3.25Å; Y67-N71 HydrophobicContact CD2-CB 3.97Å; Y67-N71 HydrophobicContact CE1-CB 3.52Å; Y67-N71 HydrophobicContact CE2-CB 3.59Å; Y67-N71 HydrophobicContact CG-CB 4.1Å; Y67-N71 PolarHBondContact N-O 3.4Å; Y67-N71 WeakPolarHBondContact O-CA 3.28Å; Y67-N71 VanDerWaalsContact O-CB 3.29Å; Y67-N71 WeakPolarHBondContact O-CB 3.4Å; Y67-N71 PolarHBondContact O-N 3.06Å; Y67-P73 HydrophobicContact CD1-CG 4.04Å; Y67-P73 HydrophobicContact CE1-CG 4.32Å
68	R	96.8	Very high	98	Very high	155 Å²	155	75.9 Å²	75.9	59%	0.585	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	55.8	-178.1	-66.6	175.6	-176.4	-173.9	0.4	110.6	V51 H52 S70	V51-R68 PolarHBondContact O-N 2.93Å; H52-R68 PolarHBondContact CE1-N 2.88Å; R68-S70 PolarHBondContact O-N 3.1Å
69	D	97.6	Very high	98.1	Very high	40 Å²	40	72 Å²	72	21%	0.214	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	-38.6	175.4	-48	-50.8	0	0	0	116.7	V51 Y67 G82 S83 N84	V51-D69 PolarHBondContact N-OD1 3.04Å; V51-D69 PolarHBondContact O-N 2.78Å; Y67-D69 VanDerWaalsContact C-N 3.28Å; Y67-D69 PolarHBondContact O-N 2.91Å; D69-G82 CarbonylContact O-C 3.49Å; D69-G82 WeakPolarHBondContact O-CA 3.26Å; D69-S83 PolarHBondContact O-N 2.02Å; D69-N84 HydrophobicContact CB-CB 3.92Å; D69-N84 VanDerWaalsContact OD1-CB 3.32Å; D69-N84 WeakPolarHBondContact OD1-CB 3.29Å; D69-N84 PolarHBondContact OD1-ND2 2.88Å
70	S	98.2	Very high	98.1	Very high	66 Å²	66	67.7 Å²	67.7	46%	0.462	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-146.4	-8.3	-170.4	61.7	0	0	0	0	115.9	R68	R68-S70 PolarHBondContact O-N 3.1Å
71	N	98.4	Very high	98.2	Very high	68 Å²	68	64.6 Å²	64.6	36%	0.364	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-80.7	147.6	-178.3	-58.9	-62.3	0	0	0	111.6	I66 Y67	I66-N71 CarbonylContact C-O 3.48Å; I66-N71 VanDerWaalsContact CA-O 3.25Å; I66-N71 WeakPolarHBondContact CA-O 3.41Å; Y67-N71 HydrophobicContact CD1-CB 3.89Å; Y67-N71 WeakPolarHBondContact CD1-O 3.25Å; Y67-N71 HydrophobicContact CD2-CB 3.97Å; Y67-N71 HydrophobicContact CE1-CB 3.52Å; Y67-N71 HydrophobicContact CE2-CB 3.59Å; Y67-N71 HydrophobicContact CG-CB 4.1Å; Y67-N71 PolarHBondContact N-O 3.4Å; Y67-N71 WeakPolarHBondContact O-CA 3.28Å; Y67-N71 VanDerWaalsContact O-CB 3.29Å; Y67-N71 WeakPolarHBondContact O-CB 3.4Å; Y67-N71 PolarHBondContact O-N 3.06Å
72	R	98.2	Very high	98.2	Very high	93 Å²	93	61.6 Å²	61.6	35%	0.351	35%	0.349	S	S	.	.			trans	-112.9	134.5	178.1	-76.3	-178.9	-62.9	-74	-7.2	110.8	I66 I76 P77 F80	I66-R72 HydrophobicContact CD1-CG 3.58Å; R72-I76 HydrophobicContact CB-CB 4.24Å; R72-I76 HydrophobicContact CB-CG2 4.5Å; R72-I76 HydrophobicContact CG-CB 4.42Å; R72-I76 HydrophobicContact CG-CG2 4.13Å; R72-P77 WeakPolarHBondContact CD-O 3.32Å; R72-F80 WeakPolarHBondContact CD-O 3.31Å; R72-F80 PolarHBondContact NH1-O 2.87Å; R72-F80 VanDerWaalsContact NH1-O 3.12Å
73	P	98.2	Very high	98.2	Very high	36 Å²	36	61.1 Å²	61.1	23%	0.234	35%	0.347	C	S	.	.			trans	-59.5	156.6	163.7	-22.1	35.1	0	0	0	111.5	L64 V65 Y67 G75 I76	L64-P73 HydrophobicContact CB-CG 4.3Å; L64-P73 HydrophobicContact CD2-CG 3.91Å; L64-P73 HydrophobicContact CG-CG 3.91Å; V65-P73 WeakPolarHBondContact O-CD 3.28Å; Y67-P73 HydrophobicContact CD1-CG 4.04Å; Y67-P73 HydrophobicContact CE1-CG 4.32Å; P73-G75 PolarHBondContact O-N 2.78Å; P73-I76 HydrophobicContact CB-CG1 4.18Å; P73-I76 HydrophobicContact CG-CG1 4.33Å; P73-I76 PolarHBondContact O-N 3.28Å
74	S	97.9	Very high	98.2	Very high	132 Å²	132	58.8 Å²	58.8	92%	0.923	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	138.7	173.5	-57.4	0	0	0	0	111.1	I76	S74-I76 VanDerWaalsContact C-N 3.31Å; S74-I76 PolarHBondContact O-N 3.31Å
75	G	97.6	Very high	98.1	Very high	79 Å²	79	60.2 Å²	60.2	81%	0.814	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-11.6	-178.8	0	0	0	0	0	115	P73 P77	P73-G75 PolarHBondContact O-N 2.78Å; G75-P77 WeakPolarHBondContact O-CD 3.42Å
76	I	98.1	Very high	98	Very high	37 Å²	37	62.5 Å²	62.5	19%	0.19	37%	0.37	C	S	.	.			trans	-78.7	124.8	172.3	-57.2	-55.4	0	0	0	110	V65 R72 P73 S74 F80	V65-I76 HydrophobicContact CB-CG2 4.3Å; V65-I76 HydrophobicContact CG1-CD1 4.17Å; R72-I76 HydrophobicContact CB-CB 4.24Å; R72-I76 HydrophobicContact CB-CG2 4.5Å; R72-I76 HydrophobicContact CG-CB 4.42Å; R72-I76 HydrophobicContact CG-CG2 4.13Å; P73-I76 HydrophobicContact CB-CG1 4.18Å; P73-I76 HydrophobicContact CG-CG1 4.33Å; P73-I76 PolarHBondContact O-N 3.28Å; S74-I76 VanDerWaalsContact C-N 3.31Å; S74-I76 PolarHBondContact O-N 3.31Å; I76-F80 HydrophobicContact CG2-CB 4.14Å; I76-F80 HydrophobicContact CG2-CD2 4.02Å; I76-F80 HydrophobicContact CG2-CG 4.22Å
77	P	98.1	Very high	97.9	Very high	50 Å²	50	66.6 Å²	66.6	33%	0.325	39%	0.392	S	S	.	.			trans	-61.9	146.4	-177	-25.6	36.1	0	0	0	113.4	R72 G75 R79 F80	R72-P77 WeakPolarHBondContact CD-O 3.32Å; G75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-R79 HydrophobicContact CB-CG 4.19Å; P77-R79 VanDerWaalsContact CB-NH1 3.32Å; P77-R79 VanDerWaalsContact CG-NH1 3.31Å; P77-R79 PolarHBondContact O-N 3.5Å; P77-F80 HydrophobicContact CB-CD2 4.31Å; P77-F80 HydrophobicContact CG-CE2 4.41Å; P77-F80 PolarHBondContact O-N 3.04Å; P77-F80 VanDerWaalsContact O-N 3.11Å
78	E	97.9	Very high	98	Very high	161 Å²	161	65.8 Å²	65.8	75%	0.752	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-15.4	177.8	-64.6	-174.2	159.4	0	0	114.2	F80	E78-F80 PolarHBondContact O-N 3.02Å
79	R	98.4	Very high	98	Very high	34 Å²	34	58.4 Å²	58.4	13%	0.128	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.9	177.4	87.5	177.5	162.1	-92.9	-3.6	112.7	P77 I93 S94 D100	P77-R79 HydrophobicContact CB-CG 4.19Å; P77-R79 VanDerWaalsContact CB-NH1 3.32Å; P77-R79 VanDerWaalsContact CG-NH1 3.31Å; P77-R79 PolarHBondContact O-N 3.5Å; R79-I93 HydrophobicContact CG-CG2 4.26Å; R79-S94 VanDerWaalsContact CA-OG 3.28Å; R79-S94 WeakPolarHBondContact CA-OG 3.41Å; R79-S94 VanDerWaalsContact CB-O 3.27Å; R79-S94 WeakPolarHBondContact CB-O 3.48Å; R79-S94 WeakPolarHBondContact CD-O 3.43Å; R79-S94 PolarHBondContact O-N 2.95Å; R79-S94 PolarHBondContact O-OG 2.83Å; R79-D100 IonicContact CZ-OD1 3.26Å; R79-D100 VanDerWaalsContact CZ-OD1 3.26Å; R79-D100 IonicContact CZ-OD2 3.74Å; R79-D100 IonicContact NE-OD1 3.07Å; R79-D100 PolarHBondContact NE-OD1 3.39Å; R79-D100 VanDerWaalsContact NE-OD1 3.07Å; R79-D100 IonicContact NE-OD2 2.95Å; R79-D100 PolarHBondContact NE-OD2 2.97Å; R79-D100 IonicContact NH2-OD1 2.66Å; R79-D100 PolarHBondContact NH2-OD1 2.64Å; R79-D100 IonicContact NH2-OD2 3.82Å
80	F	98.8	Very high	98.1	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.013	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130	173.9	-66.9	-92.6	0	0	0	110.9	I66 R72 I76 P77 E78 L91 T92 I93 D100 Y104	I66-F80 HydrophobicContact CD1-CB 4.38Å; R72-F80 WeakPolarHBondContact CD-O 3.31Å; R72-F80 PolarHBondContact NH1-O 2.87Å; R72-F80 VanDerWaalsContact NH1-O 3.12Å; I76-F80 HydrophobicContact CG2-CB 4.14Å; I76-F80 HydrophobicContact CG2-CD2 4.02Å; I76-F80 HydrophobicContact CG2-CG 4.22Å; P77-F80 HydrophobicContact CB-CD2 4.31Å; P77-F80 HydrophobicContact CG-CE2 4.41Å; P77-F80 PolarHBondContact O-N 3.04Å; P77-F80 VanDerWaalsContact O-N 3.11Å; E78-F80 PolarHBondContact O-N 3.02Å; F80-L91 HydrophobicContact CD1-CD1 4.4Å; F80-T92 WeakPolarHBondContact CA-O 3.21Å; F80-I93 HydrophobicContact CD1-CD1 4.26Å; F80-I93 HydrophobicContact CD1-CG1 3.81Å; F80-I93 HydrophobicContact CD1-CG2 4.34Å; F80-I93 HydrophobicContact CE1-CB 4.48Å; F80-I93 HydrophobicContact CE1-CD1 3.7Å; F80-I93 HydrophobicContact CE1-CG1 3.74Å; F80-I93 HydrophobicContact CE1-CG2 4Å; F80-I93 HydrophobicContact CZ-CG2 4.16Å; F80-D100 VanDerWaalsContact CZ-OD1 3.3Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.35Å; F80-Y104 HydrophobicContact CE1-CE1 4.03Å
81	S	98.7	Very high	98.1	Very high	48 Å²	48	54.5 Å²	54.5	34%	0.336	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	149.5	170.5	57.8	0	0	0	0	110.6	T92	S81-T92 PolarHBondContact N-O 3.08Å; S81-T92 PolarHBondContact O-N 3.28Å
82	G	98.7	Very high	98.1	Very high	12 Å²	12	52.2 Å²	52.2	12%	0.124	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	154.1	172.6	0	0	0	0	0	111.3	D69 T90	D69-G82 CarbonylContact O-C 3.49Å; D69-G82 WeakPolarHBondContact O-CA 3.26Å; G82-T90 CarbonylContact C-O 3.54Å; G82-T90 WeakPolarHBondContact CA-O 3.36Å
83	S	98.4	Very high	98.2	Very high	58 Å²	58	48 Å²	48	41%	0.406	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	153.8	166	63.4	0	0	0	0	110.1	D69 A89 T90	D69-S83 PolarHBondContact O-N 2.02Å; S83-A89 CarbonylContact O-C 3.59Å; S83-A89 WeakPolarHBondContact O-CA 3.48Å; S83-A89 WeakPolarHBondContact O-CB 3.43Å; S83-T90 PolarHBondContact N-O 3.22Å; S83-T90 PolarHBondContact O-N 2.58Å
84	N	98.1	Very high	98.2	Very high	30 Å²	30	48 Å²	48	16%	0.16	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	127.7	178.7	-179.3	17.4	0	0	0	110	I46 G47 K49 V51 D69 A89	I46-N84 WeakPolarHBondContact CG2-OD1 3.46Å; I46-N84 PolarHBondContact O-ND2 2.75Å; G47-N84 WeakPolarHBondContact CA-OD1 3.38Å; G47-N84 PolarHBondContact N-OD1 3.06Å; K49-N84 PolarHBondContact O-ND2 2.75Å; V51-N84 HydrophobicContact CG2-CB 4.43Å; D69-N84 HydrophobicContact CB-CB 3.92Å; D69-N84 VanDerWaalsContact OD1-CB 3.32Å; D69-N84 WeakPolarHBondContact OD1-CB 3.29Å; D69-N84 PolarHBondContact OD1-ND2 2.88Å; N84-A89 HydrophobicContact CB-CB 4.26Å
85	S	97.2	Very high	98.2	Very high	82 Å²	82	49.3 Å²	49.3	57%	0.573	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.9	140.3	177.4	60.7	0	0	0	0	111.8	N87 T88	S85-N87 PolarHBondContact O-N 2.8Å; S85-N87 VanDerWaalsContact O-N 3.08Å; S85-T88 PolarHBondContact N-O 2.96Å; S85-T88 PolarHBondContact O-N 3.42Å
86	G	96.2	Very high	98.3	Very high	49 Å²	49	46 Å²	46	51%	0.505	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-112.5	176.8	0	0	0	0	0	112.3	I46 G47	I46-G86 PolarHBondContact N-O 2.94Å; G47-G86 PolarHBondContact N-O 2.91Å
87	N	97.3	Very high	98.3	Very high	87 Å²	87	48.8 Å²	48.8	47%	0.465	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	9	179.8	-69.5	-17.1	0	0	0	113.3	G42 G43 N45 S85	G42-N87 WeakPolarHBondContact CA-O 3.44Å; G43-N87 PolarHBondContact N-O 2.84Å; G43-N87 CarbonylContact O-C 3.5Å; G43-N87 VanDerWaalsContact O-CA 3.23Å; G43-N87 WeakPolarHBondContact O-CA 3.43Å; G43-N87 VanDerWaalsContact O-CB 3.25Å; G43-N87 WeakPolarHBondContact O-CB 3.44Å; G43-N87 VanDerWaalsContact O-O 3.06Å; N45-N87 PolarHBondContact N-OD1 2.77Å; S85-N87 PolarHBondContact O-N 2.8Å; S85-N87 VanDerWaalsContact O-N 3.08Å
88	T	98.3	Very high	98.3	Very high	61 Å²	61	50.1 Å²	50.1	37%	0.374	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	126.8	-171	-53	0	0	0	0	111.4	T40 C41 S85	T40-T88 HydrophobicContact CG2-CG2 4.25Å; C41-T88 WeakPolarHBondContact O-CA 2.98Å; S85-T88 PolarHBondContact N-O 2.96Å; S85-T88 PolarHBondContact O-N 3.42Å
89	A	98.5	Very high	98.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	150.6	162.5	0	0	0	0	0	110.7	T40 C41 I46 V51 W53 S83 N84	T40-A89 CarbonylContact C-O 3.52Å; T40-A89 WeakPolarHBondContact CA-O 3.03Å; C41-A89 HydrophobicContact CB-CB 4.39Å; C41-A89 PolarHBondContact N-O 3.31Å; C41-A89 PolarHBondContact O-N 2.81Å; I46-A89 HydrophobicContact CG2-CB 4.46Å; V51-A89 HydrophobicContact CB-CB 4.07Å; V51-A89 HydrophobicContact CG1-CB 3.81Å; V51-A89 HydrophobicContact CG2-CB 3.82Å; W53-A89 HydrophobicContact CZ2-CB 4.38Å; S83-A89 CarbonylContact O-C 3.59Å; S83-A89 WeakPolarHBondContact O-CA 3.48Å; S83-A89 WeakPolarHBondContact O-CB 3.43Å; N84-A89 HydrophobicContact CB-CB 4.26Å
90	T	98.8	Very high	98.2	Very high	24 Å²	24	43.2 Å²	43.2	15%	0.147	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.5	179.8	-55	0	0	0	0	110.6	R38 I39 G82 S83	R38-T90 HydrophobicContact CB-CG2 4.14Å; R38-T90 HydrophobicContact CG-CG2 4.34Å; I39-T90 CarbonylContact O-C 3.57Å; I39-T90 VanDerWaalsContact O-CA 3.31Å; I39-T90 WeakPolarHBondContact O-CA 3.41Å; G82-T90 CarbonylContact C-O 3.54Å; G82-T90 WeakPolarHBondContact CA-O 3.36Å; S83-T90 PolarHBondContact N-O 3.22Å; S83-T90 PolarHBondContact O-N 2.58Å
91	L	98.9	Very high	98.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	126.6	161.4	-178.8	65.7	0	0	0	108.6	R38 I39 W53 V65 I66 F80 I93 Y104	R38-L91 CarbonylContact C-O 3.51Å; R38-L91 WeakPolarHBondContact CA-O 3.41Å; I39-L91 HydrophobicContact CB-CB 4.36Å; I39-L91 HydrophobicContact CD1-CD2 4.39Å; I39-L91 PolarHBondContact N-O 3.23Å; I39-L91 PolarHBondContact O-N 3.2Å; W53-L91 HydrophobicContact CB-CD1 4.21Å; W53-L91 HydrophobicContact CB-CD2 4.33Å; W53-L91 HydrophobicContact CD2-CB 3.58Å; W53-L91 HydrophobicContact CD2-CD1 4.48Å; W53-L91 HydrophobicContact CD2-CD2 4.18Å; W53-L91 HydrophobicContact CD2-CG 4.3Å; W53-L91 HydrophobicContact CE3-CB 3.8Å; W53-L91 HydrophobicContact CE3-CD2 3.96Å; W53-L91 HydrophobicContact CE3-CG 4.46Å; W53-L91 HydrophobicContact CG-CB 4.05Å; W53-L91 HydrophobicContact CG-CD1 4.09Å; W53-L91 HydrophobicContact CG-CD2 4.36Å; W53-L91 HydrophobicContact CG-CG 4.41Å; W53-L91 HydrophobicContact CH2-CB 4.06Å; W53-L91 HydrophobicContact CZ2-CB 3.88Å; W53-L91 HydrophobicContact CZ3-CB 4.03Å; V65-L91 HydrophobicContact CG2-CD1 4.46Å; I66-L91 HydrophobicContact CG1-CD1 3.68Å; F80-L91 HydrophobicContact CD1-CD1 4.4Å; L91-I93 HydrophobicContact CD2-CD1 4.45Å; L91-I93 HydrophobicContact CD2-CG1 4.49Å; L91-I93 HydrophobicContact CG-CG1 4.32Å; L91-Y104 HydrophobicContact CD2-CD1 3.4Å; L91-Y104 HydrophobicContact CD2-CE1 3.82Å; L91-Y104 HydrophobicContact CD2-CG 4.08Å
92	T	98.8	Very high	98.2	Very high	21 Å²	21	49.2 Å²	49.2	13%	0.129	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	129	174.7	-60.1	0	0	0	0	109.3	T36 A37 R38 F80 S81	T36-T92 HydrophobicContact CG2-CG2 3.52Å; A37-T92 WeakPolarHBondContact O-CA 3.23Å; R38-T92 HydrophobicContact CG-CG2 4.43Å; F80-T92 WeakPolarHBondContact CA-O 3.21Å; S81-T92 PolarHBondContact N-O 3.08Å; S81-T92 PolarHBondContact O-N 3.28Å
93	I	98.8	Very high	98.2	Very high	5 Å²	5	53 Å²	53	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	96.6	175.4	-47.5	175.1	0	0	0	107	T36 A37 R79 F80 L91 D100 Y104	T36-I93 CarbonylContact C-O 2.98Å; T36-I93 WeakPolarHBondContact CA-O 3.46Å; A37-I93 HydrophobicContact CB-CB 4.08Å; A37-I93 PolarHBondContact N-O 3.35Å; A37-I93 PolarHBondContact O-N 2.86Å; R79-I93 HydrophobicContact CG-CG2 4.26Å; F80-I93 HydrophobicContact CD1-CD1 4.26Å; F80-I93 HydrophobicContact CD1-CG1 3.81Å; F80-I93 HydrophobicContact CD1-CG2 4.34Å; F80-I93 HydrophobicContact CE1-CB 4.48Å; F80-I93 HydrophobicContact CE1-CD1 3.7Å; F80-I93 HydrophobicContact CE1-CG1 3.74Å; F80-I93 HydrophobicContact CE1-CG2 4Å; F80-I93 HydrophobicContact CZ-CG2 4.16Å; L91-I93 HydrophobicContact CD2-CD1 4.45Å; L91-I93 HydrophobicContact CD2-CG1 4.49Å; L91-I93 HydrophobicContact CG-CG1 4.32Å; I93-D100 HydrophobicContact CG2-CB 4.42Å; I93-Y104 HydrophobicContact CD1-CE1 4.02Å; I93-Y104 HydrophobicContact CD1-CE2 4.11Å; I93-Y104 WeakPolarHBondContact CD1-OH 3.23Å
94	S	98.6	Very high	98.2	Very high	36 Å²	36	51.3 Å²	51.3	25%	0.252	30%	0.301	S	S	.	.	S	Bend	trans	-75	153	175.2	62.7	0	0	0	0	110.8	R79 A96	R79-S94 VanDerWaalsContact CA-OG 3.28Å; R79-S94 WeakPolarHBondContact CA-OG 3.41Å; R79-S94 VanDerWaalsContact CB-O 3.27Å; R79-S94 WeakPolarHBondContact CB-O 3.48Å; R79-S94 WeakPolarHBondContact CD-O 3.43Å; R79-S94 PolarHBondContact O-N 2.95Å; R79-S94 PolarHBondContact O-OG 2.83Å; S94-A96 VanDerWaalsContact C-N 3.3Å; S94-A96 PolarHBondContact O-N 3.48Å
95	R	98.4	Very high	98.2	Very high	159 Å²	159	54.6 Å²	54.6	60%	0.6	31%	0.312	S	S	*	.	S	Bend	trans	47.8	52.3	177.4	-60.4	179.7	-68	148.6	-3.3	112.4	Q35 Q97	Q35-R95 PolarHBondContact O-N 3.2Å; Q35-R95 VanDerWaalsContact O-N 3.14Å; R95-Q97 WeakPolarHBondContact O-CG 3.43Å; R95-Q97 PolarHBondContact O-N 2.98Å
96	A	98.6	Very high	98.2	Very high	8 Å²	8	51.5 Å²	51.5	7%	0.066	29%	0.29	C	S	.	.			trans	-49.4	135.9	-174.5	0	0	0	0	0	112.2	V31 L33 G34 Q35 S94	V31-A96 HydrophobicContact CG1-CB 3.81Å; L33-A96 WeakPolarHBondContact CA-O 3.38Å; G34-A96 PolarHBondContact N-O 3.44Å; Q35-A96 WeakPolarHBondContact O-CB 3.43Å; Q35-A96 PolarHBondContact O-N 2.84Å; S94-A96 VanDerWaalsContact C-N 3.3Å; S94-A96 PolarHBondContact O-N 3.48Å
97	Q	98.5	Very high	98.3	Very high	97 Å²	97	51.9 Å²	51.9	45%	0.453	28%	0.279	S	S	.	.			trans	-116.8	157.9	-178.7	-58	-176.9	-12.5	0	0	110.2	R95 G99 D100	R95-Q97 WeakPolarHBondContact O-CG 3.43Å; R95-Q97 PolarHBondContact O-N 2.98Å; Q97-G99 PolarHBondContact O-N 3.47Å; Q97-G99 VanDerWaalsContact O-N 3.11Å; Q97-D100 PolarHBondContact N-OD2 3.44Å; Q97-D100 VanDerWaalsContact O-CB 3.29Å; Q97-D100 WeakPolarHBondContact O-CB 3.11Å; Q97-D100 PolarHBondContact O-N 2.99Å
98	A	97.8	Very high	98.2	Very high	78 Å²	78	49 Å²	49	65%	0.645	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-58.2	-29.2	177.1	0	0	0	0	0	112.6	L33 D100 E101	L33-A98 HydrophobicContact CD2-CB 4.38Å; A98-D100 PolarHBondContact O-N 3.3Å; A98-E101 PolarHBondContact O-N 3.24Å
99	G	96.9	Very high	97.9	Very high	38 Å²	38	52.5 Å²	52.5	39%	0.392	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-74.6	-2.8	175.7	0	0	0	0	0	115.4	K57 Q97	K57-G99 WeakPolarHBondContact CE-O 3.29Å; K57-G99 PolarHBondContact NZ-O 3.49Å; Q97-G99 PolarHBondContact O-N 3.47Å; Q97-G99 VanDerWaalsContact O-N 3.11Å
100	D	98.2	Very high	97.2	Very high	11 Å²	11	54.8 Å²	54.8	6%	0.059	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-89.8	-7.9	175.5	-61.2	-33.7	0	0	0	112.7	R79 F80 I93 Q97 A98 A102 Y104	R79-D100 IonicContact CZ-OD1 3.26Å; R79-D100 VanDerWaalsContact CZ-OD1 3.26Å; R79-D100 IonicContact CZ-OD2 3.74Å; R79-D100 IonicContact NE-OD1 3.07Å; R79-D100 PolarHBondContact NE-OD1 3.39Å; R79-D100 VanDerWaalsContact NE-OD1 3.07Å; R79-D100 IonicContact NE-OD2 2.95Å; R79-D100 PolarHBondContact NE-OD2 2.97Å; R79-D100 IonicContact NH2-OD1 2.66Å; R79-D100 PolarHBondContact NH2-OD1 2.64Å; R79-D100 IonicContact NH2-OD2 3.82Å; F80-D100 VanDerWaalsContact CZ-OD1 3.3Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.35Å; I93-D100 HydrophobicContact CG2-CB 4.42Å; Q97-D100 PolarHBondContact N-OD2 3.44Å; Q97-D100 VanDerWaalsContact O-CB 3.29Å; Q97-D100 WeakPolarHBondContact O-CB 3.11Å; Q97-D100 PolarHBondContact O-N 2.99Å; A98-D100 PolarHBondContact O-N 3.3Å; D100-A102 PolarHBondContact O-N 3.44Å; D100-Y104 WeakPolarHBondContact O-CE2 3.43Å; D100-Y104 PolarHBondContact O-OH 2.93Å
101	E	98.2	Very high	96	Very high	159 Å²	159	58 Å²	58	74%	0.743	31%	0.306	S	S	*	.			trans	-64	113.7	173.4	-169.7	67.3	-147.5	0	0	109.8	A98	A98-E101 PolarHBondContact O-N 3.24Å
102	A	98.4	Very high	94.8	Very high	19 Å²	19	62.5 Å²	62.5	16%	0.157	34%	0.338	C	S	.	.	S	Bend	trans	-172.2	164.5	-173.6	0	0	0	0	0	110.3	Q55 Q56 K57 D100 Y104	Q55-A102 HydrophobicContact CG-CB 3.4Å; Q56-A102 WeakPolarHBondContact O-CB 3.37Å; K57-A102 HydrophobicContact CG-CB 4.06Å; D100-A102 PolarHBondContact O-N 3.44Å; A102-Y104 HydrophobicContact CB-CE2 3.96Å; A102-Y104 VanDerWaalsContact O-CD2 3.28Å; A102-Y104 WeakPolarHBondContact O-CD2 3.46Å; A102-Y104 WeakPolarHBondContact O-CE2 3.25Å
103	D	98.5	Very high	93	Very high	91 Å²	91	66.1 Å²	66.1	49%	0.487	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	139.3	163.5	-64.1	-51.2	0	0	0	109.7	Q55 Q56 Y105	Q55-D103 CarbonylContact C-O 3.6Å; Q56-D103 HydrophobicContact CB-CB 4.39Å; Q56-D103 PolarHBondContact N-O 2.82Å; Q56-D103 PolarHBondContact O-N 2.86Å; D103-Y105 HydrophobicContact CB-CE2 3.77Å; D103-Y105 WeakPolarHBondContact CB-OH 3.5Å
104	Y	98.7	Very high	91	Very high	22 Å²	22	70.6 Å²	70.6	9%	0.086	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	132.6	178.3	-68.7	-92.2	0	0	0	111.2	Q25 I39 Y54 Q55 F80 L91 I93 D100 A102	Q25-Y104 PolarHBondContact NE2-O 3.03Å; I39-Y104 HydrophobicContact CD1-CD2 3.6Å; I39-Y104 HydrophobicContact CD1-CE2 4.24Å; I39-Y104 HydrophobicContact CD1-CG 3.76Å; Y54-Y104 VanDerWaalsContact O-CA 3.28Å; Y54-Y104 WeakPolarHBondContact O-CA 3.15Å; Q55-Y104 HydrophobicContact CB-CD1 4.12Å; Q55-Y104 HydrophobicContact CB-CE1 3.77Å; Q55-Y104 HydrophobicContact CG-CD1 4.41Å; Q55-Y104 HydrophobicContact CG-CE1 3.79Å; Q55-Y104 PolarHBondContact NE2-OH 3.41Å; F80-Y104 HydrophobicContact CE1-CE1 4.03Å; L91-Y104 HydrophobicContact CD2-CD1 3.4Å; L91-Y104 HydrophobicContact CD2-CE1 3.82Å; L91-Y104 HydrophobicContact CD2-CG 4.08Å; I93-Y104 HydrophobicContact CD1-CE1 4.02Å; I93-Y104 HydrophobicContact CD1-CE2 4.11Å; I93-Y104 WeakPolarHBondContact CD1-OH 3.23Å; D100-Y104 WeakPolarHBondContact O-CE2 3.43Å; D100-Y104 PolarHBondContact O-OH 2.93Å; A102-Y104 HydrophobicContact CB-CE2 3.96Å; A102-Y104 VanDerWaalsContact O-CD2 3.28Å; A102-Y104 WeakPolarHBondContact O-CD2 3.46Å; A102-Y104 WeakPolarHBondContact O-CE2 3.25Å
105	Y	98.4	Very high	88.5	Confident	100 Å²	100	80.5 Å²	80.5	39%	0.392	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.7	-177.7	-54.9	-76.7	0	0	0	110.9	W53 Y54 Q56 D103	W53-Y105 CarbonylContact C-O 3.58Å; W53-Y105 WeakPolarHBondContact CA-O 3.38Å; Y54-Y105 PolarHBondContact N-O 3.45Å; Y54-Y105 PolarHBondContact O-N 3.18Å; Q56-Y105 HydrophobicContact CB-CD2 4.42Å; Q56-Y105 HydrophobicContact CB-CE2 3.86Å; Q56-Y105 VanDerWaalsContact OE1-CE2 3.27Å; D103-Y105 HydrophobicContact CB-CE2 3.77Å; D103-Y105 WeakPolarHBondContact CB-OH 3.5Å
106	C	98.2	Very high	88	Confident	16 Å²	16	76.6 Å²	76.6	11%	0.108	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147	166.2	69.6	0	0	0	0	111.2	Q25 C41 V51 H52 W53	Q25-C106 PolarHBondContact OE1-SG 3.46Å; C41-C106 HydrophobicContact CB-CB 3.41Å; C41-C106 VanDerWaalsContact CB-CB 3.41Å; C41-C106 WeakPolarHBondContact CB-SG 3.41Å; C41-C106 WeakPolarHBondContact SG-CB 3.2Å; C41-C106 CovalentContact SG-SG 2.02Å; C41-C106 PolarHBondContact SG-SG 2.95Å; V51-C106 HydrophobicContact CG1-CB 4.27Å; H52-C106 CarbonylContact O-C 3.5Å; H52-C106 VanDerWaalsContact O-CA 3.29Å; H52-C106 WeakPolarHBondContact O-CA 3.45Å; W53-C106 HydrophobicContact CD2-CB 4.17Å; W53-C106 HydrophobicContact CE3-CB 4Å; W53-C106 HydrophobicContact CH2-CB 3.99Å; W53-C106 HydrophobicContact CZ2-CB 4.13Å; W53-C106 HydrophobicContact CZ3-CB 3.91Å
107	Q	96.7	Very high	87.4	Confident	58 Å²	58	80.2 Å²	80.2	27%	0.271	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.9	169.6	178.3	-95.9	-52.9	0	0	108.8	V51 H52 Y54	V51-Q107 WeakPolarHBondContact CA-O 3.27Å; H52-Q107 HydrophobicContact CB-CB 4.45Å; H52-Q107 PolarHBondContact CD2-OE1 2.78Å; H52-Q107 PolarHBondContact N-O 3.39Å; H52-Q107 PolarHBondContact O-N 2.82Å; Y54-Q107 HydrophobicContact CE2-CB 3.9Å
108	V	95.5	Very high	86.8	Confident	25 Å²	25	79.2 Å²	79.2	15%	0.152	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.3	-179.9	-175.7	0	0	0	0	108.9	L23 I46 K49 N50 V51	L23-V108 HydrophobicContact CD1-CB 4.5Å; L23-V108 HydrophobicContact CD1-CG2 3.8Å; L23-V108 HydrophobicContact CD2-CG2 3.62Å; L23-V108 HydrophobicContact CG-CG2 4.37Å; I46-V108 HydrophobicContact CD1-CG2 3.88Å; I46-V108 HydrophobicContact CG1-CG1 4.38Å; I46-V108 HydrophobicContact CG1-CG2 4.01Å; I46-V108 HydrophobicContact CG2-CG1 4.18Å; I46-V108 HydrophobicContact CG2-CG2 3.93Å; K49-V108 HydrophobicContact CB-CG1 3.49Å; K49-V108 VanDerWaalsContact CB-CG1 3.49Å; K49-V108 HydrophobicContact CD-CG1 3.46Å; K49-V108 VanDerWaalsContact CD-CG1 3.46Å; K49-V108 HydrophobicContact CG-CG1 4.09Å; N50-V108 CarbonylContact O-C 3.57Å; N50-V108 WeakPolarHBondContact O-CA 3.25Å; V51-V108 HydrophobicContact CG2-CG2 4.14Å
109	W	91.5	Very high	86.2	Confident	135 Å²	135	79.3 Å²	79.3	51%	0.511	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	119.5	179.2	179.3	-87.7	0	0	0	110.4	K49 N50	K49-W109 WeakPolarHBondContact CB-O 3.39Å; N50-W109 HydrophobicContact CB-CB 4.27Å; N50-W109 PolarHBondContact N-O 3.19Å; N50-W109 VanDerWaalsContact N-O 3.1Å; N50-W109 PolarHBondContact O-N 3.05Å
110	D	84	Confident	85.5	Confident	48 Å²	48	81.9 Å²	81.9	26%	0.257	44%	0.442	S	S	.	.			trans	-97.5	115	173.8	-160.7	-29	0	0	0	109.9	K49 S112 T113	K49-D110 HydrophobicContact CD-CB 4.12Å; K49-D110 WeakPolarHBondContact CE-OD2 3.25Å; K49-D110 IonicContact NZ-OD2 2.75Å; K49-D110 PolarHBondContact NZ-OD2 3.41Å; D110-S112 VanDerWaalsContact C-N 3.32Å; D110-S112 VanDerWaalsContact OD1-CB 3.29Å; D110-S112 WeakPolarHBondContact OD1-CB 3.42Å; D110-S112 PolarHBondContact OD1-N 3.4Å; D110-S112 PolarHBondContact OD1-OG 3.41Å; D110-T113 PolarHBondContact O-OG1 3.14Å
111	S	74.9	Confident	84.7	Confident	92 Å²	92	86.6 Å²	86.6	64%	0.643	47%	0.467	S	S	*	.	S	Bend	trans	-84.9	-5.7	177	58.7	0	0	0	0	113.5	T113	S111-T113 VanDerWaalsContact C-N 3.32Å
112	S	71.9	Confident	83.7	Confident	95 Å²	95	81.4 Å²	81.4	66%	0.664	45%	0.447	S	S	*	.	S	Bend	trans	-76.8	-20.1	-177.5	68.8	0	0	0	0	113.2	D110 A114	D110-S112 VanDerWaalsContact C-N 3.32Å; D110-S112 VanDerWaalsContact OD1-CB 3.29Å; D110-S112 WeakPolarHBondContact OD1-CB 3.42Å; D110-S112 PolarHBondContact OD1-N 3.4Å; D110-S112 PolarHBondContact OD1-OG 3.41Å; S112-A114 PolarHBondContact O-N 3.47Å
113	T	62.1	Low	82.6	Confident	97 Å²	97	86.2 Å²	86.2	60%	0.595	47%	0.47	S	S	*	.	S	Bend	trans	-82.4	95.1	170.7	47.8	0	0	0	0	109.3	D110 S111 H115	D110-T113 PolarHBondContact O-OG1 3.14Å; S111-T113 VanDerWaalsContact C-N 3.32Å; T113-H115 PolarHBondContact O-N 2.96Å
114	A	56.3	Low	81.2	Confident	98 Å²	98	85.8 Å²	85.8	81%	0.81	47%	0.468	S	S	*	.			trans	-57.3	122.7	158.9	0	0	0	0	0	107.8	S112	S112-A114 PolarHBondContact O-N 3.47Å
115	H	46.6	Very low	79.7	Confident	244 Å²	244	91.6 Å²	91.6	100%	1.13	50%	0.503	S	S	*	.			trans	-71.8	0	172.5	-111.2	-67.2	0	0	0	110.9	T113	T113-H115 PolarHBondContact O-N 2.96Å

Retrieved 115 of 115 residues in 61.6 ms (Link to these results)

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