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Immunoglobulin lambda variable 3-22

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 A0A075B6J6, Species HUMAN (Homo sapiens, Human), Gene IGLV3-22, Length 115 aa.

						>LV322_HUMAN|A0A075B6J6|IGLV3-22
MAWATLLLPLLNLYTGSVASYELTQLPSVSVSPGQTARITCSGDVLGENYADWYQQKPGQAPELVIYEDSERYPGIPERFSGSTSGNTTTLTISRVLTEDEADYYCLSGDEDNPS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.9	Low	57.5	Low	232 Å²	232	151.1 Å²	151.1	100%	1.143	83%	0.834	S	S	*	*				0	111.3	0	-63.5	-167	-135	0	0	106.9	W3	M1-W3 VanDerWaalsContact O-CD1 3.24Å
2	A	52.3	Low	57.9	Low	111 Å²	111	149.7 Å²	149.7	92%	0.917	83%	0.825	S	S	*	*			trans	-93.1	122.3	-176.2	0	0	0	0	0	109.2
3	W	50.5	Low	58.4	Low	222 Å²	222	149.1 Å²	149.1	84%	0.841	82%	0.818	S	S	*	*			trans	-103	115	-178.8	23.2	-62.4	0	0	0	106.9	M1 T5	M1-W3 VanDerWaalsContact O-CD1 3.24Å; W3-T5 PolarHBondContact O-N 2.7Å
4	A	56.3	Low	58.7	Low	98 Å²	98	154.8 Å²	154.8	81%	0.81	82%	0.824	S	S	*	*			trans	-78.2	113.6	176.7	0	0	0	0	0	109.1	L6	A4-L6 PolarHBondContact O-N 3.45Å
5	T	56.8	Low	59.1	Low	119 Å²	119	152.8 Å²	152.8	73%	0.73	82%	0.82	S	S	*	*			trans	-77.6	107.7	167.1	32.8	0	0	0	0	109.2	W3 L7	W3-T5 PolarHBondContact O-N 2.7Å; T5-L7 PolarHBondContact O-N 3.09Å
6	L	56.1	Low	59.2	Low	164 Å²	164	147.2 Å²	147.2	86%	0.859	81%	0.81	S	S	*	*			trans	-78.8	107.6	168.4	-86.3	151.6	0	0	0	108.9	A4	A4-L6 PolarHBondContact O-N 3.45Å
7	L	59.4	Low	59.8	Low	162 Å²	162	145.7 Å²	145.7	85%	0.848	81%	0.812	S	S	*	*			trans	-87.7	109.5	166.5	-75.9	158.4	0	0	0	108.1	T5	T5-L7 PolarHBondContact O-N 3.09Å
8	L	61.8	Low	60	Low	153 Å²	153	145.1 Å²	145.1	80%	0.801	81%	0.813	S	S	*	*			trans	-79	132.3	166.2	-94.4	119	0	0	0	109.3	L10	L8-L10 PolarHBondContact O-N 3.44Å
9	P	61.7	Low	60.3	Low	104 Å²	104	141.6 Å²	141.6	68%	0.675	80%	0.804	S	S	*	*			trans	-75.5	122.9	173	31.1	-28.8	0	0	0	108.7	L11	P9-L11 PolarHBondContact O-N 3.42Å; P9-L11 VanDerWaalsContact O-N 3.15Å
10	L	62.9	Low	60.7	Low	152 Å²	152	138.9 Å²	138.9	80%	0.796	79%	0.794	S	S	*	*			trans	-68.1	106.2	165.1	-87.5	92.2	0	0	0	108.3	L8 N12	L8-L10 PolarHBondContact O-N 3.44Å; L10-N12 PolarHBondContact O-N 3.14Å
11	L	61.8	Low	61.4	Low	145 Å²	145	140.7 Å²	140.7	76%	0.759	79%	0.789	S	S	*	*			trans	-72.7	102.4	160	-96.4	95.3	0	0	0	108.1	P9 L13	P9-L11 PolarHBondContact O-N 3.42Å; P9-L11 VanDerWaalsContact O-N 3.15Å; L11-L13 PolarHBondContact O-N 2.83Å
12	N	62.7	Low	63.1	Low	134 Å²	134	136.5 Å²	136.5	72%	0.717	77%	0.767	S	S	*	*			trans	-73.8	101.7	162.3	-76.5	-41.1	0	0	0	108.1	L10 Y14	L10-N12 PolarHBondContact O-N 3.14Å; N12-Y14 PolarHBondContact O-N 3.05Å
13	L	64.1	Low	65.1	Low	142 Å²	142	133.8 Å²	133.8	74%	0.743	74%	0.736	S	S	*	*			trans	-72.7	109.3	161.3	-85.7	102.9	0	0	0	107.8	L11 T15	L11-L13 PolarHBondContact O-N 2.83Å; L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 PolarHBondContact O-N 3.48Å
14	Y	62.9	Low	67.2	Low	229 Å²	229	127.7 Å²	127.7	90%	0.898	72%	0.724	S	S	*	*			trans	-71.5	92.5	163.8	-109.6	-98.4	0	0	0	108	N12 G16	N12-Y14 PolarHBondContact O-N 3.05Å; Y14-G16 VanDerWaalsContact C-N 3.34Å; Y14-G16 PolarHBondContact O-N 3.43Å; Y14-G16 VanDerWaalsContact O-N 3.16Å
15	T	64.7	Low	69.1	Low	125 Å²	125	125.8 Å²	125.8	77%	0.767	70%	0.698	S	S	*	*			trans	-77.4	90.6	163.2	43.3	0	0	0	0	107.7	L13 S17	L13-T15 VanDerWaalsContact C-N 3.33Å; L13-T15 PolarHBondContact O-N 3.48Å; T15-S17 PolarHBondContact O-N 3.37Å
16	G	60.9	Low	70.9	Confident	63 Å²	63	125 Å²	125	65%	0.649	69%	0.689	S	S	*	*			trans	-65.4	122.1	164.2	0	0	0	0	0	109	Y14 V18	Y14-G16 VanDerWaalsContact C-N 3.34Å; Y14-G16 PolarHBondContact O-N 3.43Å; Y14-G16 VanDerWaalsContact O-N 3.16Å; G16-V18 PolarHBondContact O-N 3.11Å
17	S	69.2	Low	72.7	Confident	122 Å²	122	123.5 Å²	123.5	85%	0.853	69%	0.689	S	S	*	*			trans	-73.5	114.2	168.8	-171.1	0	0	0	0	107.8	T15	T15-S17 PolarHBondContact O-N 3.37Å
18	V	63.9	Low	74.5	Confident	135 Å²	135	120.5 Å²	120.5	82%	0.818	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-76.9	121.5	163.4	-69.1	0	0	0	0	107.2	G16	G16-V18 PolarHBondContact O-N 3.11Å
19	A	64.3	Low	76.2	Confident	78 Å²	78	116.1 Å²	116.1	65%	0.645	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-74.9	122.1	167.7	0	0	0	0	0	107.5
20	S	68.3	Low	77.8	Confident	87 Å²	87	116.8 Å²	116.8	61%	0.608	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-94.4	123	169.1	55.1	0	0	0	0	108.7	E22	S20-E22 PolarHBondContact O-N 3.1Å
21	Y	76.8	Confident	79.5	Confident	178 Å²	178	111.8 Å²	111.8	70%	0.698	64%	0.644	S	S	*	*			trans	-79.8	109	167.5	-52.7	-76.8	0	0	0	107.3	V45	Y21-V45 HydrophobicContact CD1-CB 4.08Å; Y21-V45 HydrophobicContact CD1-CG2 4.36Å; Y21-V45 HydrophobicContact CG-CB 4.29Å; Y21-V45 HydrophobicContact CG-CG2 4.44Å
22	E	88.8	Confident	81.2	Confident	144 Å²	144	108.4 Å²	108.4	67%	0.673	63%	0.632	S	S	*	*			trans	-97.6	131.9	-179.7	-65.7	-166.8	146.5	0	0	110.2	S20	S20-E22 PolarHBondContact O-N 3.1Å
23	L	93.8	Very high	82.8	Confident	53 Å²	53	106.6 Å²	106.6	28%	0.277	63%	0.628	S	S	.	*			trans	-102.4	131.6	169.8	-63.4	-176.4	0	0	0	108.7	V45 L46 C106	L23-V45 HydrophobicContact CD2-CG1 4Å; L23-L46 HydrophobicContact CD2-CD1 3.93Å; L23-L46 HydrophobicContact CD2-CD2 4.08Å; L23-L46 HydrophobicContact CD2-CG 3.76Å; L23-C106 HydrophobicContact CD1-CB 4.49Å
24	T	95	Very high	84.4	Confident	95 Å²	95	102.2 Å²	102.2	58%	0.583	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.1	131.2	-179.2	-58.8	0	0	0	0	110.2	C41 S42	T24-C41 CarbonylContact O-C 3.59Å; T24-C41 WeakPolarHBondContact O-CA 3.26Å; T24-S42 PolarHBondContact N-O 2.84Å; T24-S42 PolarHBondContact O-N 3.36Å
25	Q	95.7	Very high	86.1	Confident	57 Å²	57	96.4 Å²	96.4	27%	0.266	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.5	160.8	174.7	-64.1	-167.8	92.4	0	0	110.8	C41 W53 Y104	Q25-C41 HydrophobicContact CG-CB 3.7Å; Q25-W53 VanDerWaalsContact OE1-CZ3 3.29Å; Q25-Y104 PolarHBondContact NE2-O 3.23Å
26	L	94.2	Very high	87.7	Confident	103 Å²	103	93.6 Å²	93.6	54%	0.539	58%	0.581	S	S	.	*			trans	-64.9	140.3	164	-72	174.9	0	0	0	109.6	S28 V29	L26-S28 PolarHBondContact O-N 3.05Å; L26-V29 HydrophobicContact CD1-CG2 4.46Å
27	P	94.9	Very high	89.5	Confident	133 Å²	133	91 Å²	91	86%	0.864	55%	0.553	S	S	*	*	S	Bend	trans	-66.1	-26.2	-177.5	26	-34.9	0	0	0	113
28	S	96	Very high	90.9	Very high	98 Å²	98	92.7 Å²	92.7	69%	0.685	54%	0.541	S	S	*	.			trans	-160	154.1	173.6	62.6	0	0	0	0	111.9	L26	L26-S28 PolarHBondContact O-N 3.05Å
29	V	96.9	Very high	92.5	Very high	62 Å²	62	87.1 Å²	87.1	38%	0.376	51%	0.507	S	S	.	.			trans	-130.4	129.8	169.9	177.1	0	0	0	0	107.1	L26 V31 A37 I39	L26-V29 HydrophobicContact CD1-CG2 4.46Å; V29-V31 HydrophobicContact CG1-CG1 4.48Å; V29-A37 HydrophobicContact CG1-CB 4.39Å; V29-I39 HydrophobicContact CG2-CG1 4.32Å
30	S	96.7	Very high	94.1	Very high	117 Å²	117	85.7 Å²	85.7	82%	0.818	49%	0.49	S	S	*	.			trans	-129.1	131.9	178.9	-171.5	0	0	0	0	110.2
31	V	97.5	Very high	95.5	Very high	48 Å²	48	81.5 Å²	81.5	29%	0.291	46%	0.461	S	S	.	.			trans	-141.3	157.2	179	-60.3	0	0	0	0	109.8	V29 Q35 A37 V96	V29-V31 HydrophobicContact CG1-CG1 4.48Å; V31-Q35 HydrophobicContact CB-CB 4.15Å; V31-A37 HydrophobicContact CG1-CB 4.31Å; V31-A37 HydrophobicContact CG2-CB 3.98Å; V31-V96 HydrophobicContact CG2-CB 4.01Å; V31-V96 HydrophobicContact CG2-CG1 4.03Å; V31-V96 HydrophobicContact CG2-CG2 3.82Å
32	S	97.4	Very high	96.5	Very high	73 Å²	73	75.2 Å²	75.2	51%	0.51	44%	0.443	S	S	.	.			trans	-75.8	149.9	172.7	-61.4	0	0	0	0	110.9	G34 Q35	S32-G34 PolarHBondContact O-N 2.89Å; S32-Q35 VanDerWaalsContact O-CB 3.27Å; S32-Q35 WeakPolarHBondContact O-CB 3.49Å; S32-Q35 WeakPolarHBondContact O-CG 3.37Å; S32-Q35 PolarHBondContact O-N 3.34Å
33	P	97.5	Very high	96.8	Very high	96 Å²	96	68.9 Å²	68.9	62%	0.623	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	138.3	173.3	-27.9	35.3	0	0	0	112.4	Q35 V96	P33-Q35 VanDerWaalsContact C-N 3.3Å; P33-Q35 PolarHBondContact O-N 3.26Å; P33-V96 CarbonylContact C-O 3.54Å; P33-V96 WeakPolarHBondContact CA-O 2.93Å
34	G	98	Very high	96.7	Very high	51 Å²	51	72.7 Å²	72.7	53%	0.526	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-13.5	-175.5	0	0	0	0	0	115.1	S32 V96	S32-G34 PolarHBondContact O-N 2.89Å; G34-V96 PolarHBondContact N-O 3.3Å
35	Q	98.5	Very high	96.6	Very high	106 Å²	106	69.4 Å²	69.4	50%	0.495	42%	0.416	S	S	.	.	S	Bend	trans	-78.8	178	172.1	-61.6	-169.9	-61.3	0	0	111.7	V31 S32 P33 R95 V96	V31-Q35 HydrophobicContact CB-CB 4.15Å; S32-Q35 VanDerWaalsContact O-CB 3.27Å; S32-Q35 WeakPolarHBondContact O-CB 3.49Å; S32-Q35 WeakPolarHBondContact O-CG 3.37Å; S32-Q35 PolarHBondContact O-N 3.34Å; P33-Q35 VanDerWaalsContact C-N 3.3Å; P33-Q35 PolarHBondContact O-N 3.26Å; Q35-R95 WeakPolarHBondContact O-CA 3.49Å; Q35-R95 PolarHBondContact O-N 3.08Å; Q35-R95 VanDerWaalsContact O-N 3.14Å; Q35-V96 WeakPolarHBondContact O-CG2 3.04Å; Q35-V96 PolarHBondContact O-N 3.45Å
36	T	98.5	Very high	96.5	Very high	66 Å²	66	66.9 Å²	66.9	41%	0.405	41%	0.405	S	S	.	.			trans	-104.6	123.8	175.5	-60	0	0	0	0	109.5	T92 I93	T36-T92 HydrophobicContact CG2-CG2 3.66Å; T36-I93 CarbonylContact C-O 3.6Å; T36-I93 WeakPolarHBondContact CA-O 3.38Å
37	A	98.3	Very high	96.3	Very high	8 Å²	8	63.8 Å²	63.8	7%	0.066	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.9	167.9	0	0	0	0	0	110.1	V29 V31 T92 I93 V96	V29-A37 HydrophobicContact CG1-CB 4.39Å; V31-A37 HydrophobicContact CG1-CB 4.31Å; V31-A37 HydrophobicContact CG2-CB 3.98Å; A37-T92 WeakPolarHBondContact O-CA 3.38Å; A37-I93 HydrophobicContact CB-CB 4.43Å; A37-I93 PolarHBondContact N-O 3.27Å; A37-I93 PolarHBondContact O-N 2.89Å; A37-V96 HydrophobicContact CB-CG2 3.79Å
38	R	98.2	Very high	96.1	Very high	158 Å²	158	65 Å²	65	60%	0.596	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.9	170	-74.6	-172.9	160.5	94.1	1.2	108.5	T90 L91 T92	R38-T90 HydrophobicContact CB-CG2 4.19Å; R38-T90 HydrophobicContact CG-CG2 4.37Å; R38-L91 WeakPolarHBondContact CA-O 3.32Å; R38-T92 HydrophobicContact CG-CG2 4.36Å
39	I	98.3	Very high	95.9	Very high	18 Å²	18	61.6 Å²	61.6	9%	0.092	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.6	178.4	-50.4	177.8	0	0	0	106.4	V29 W53 T90 L91 Y104	V29-I39 HydrophobicContact CG2-CG1 4.32Å; I39-W53 HydrophobicContact CB-CH2 4.08Å; I39-W53 HydrophobicContact CB-CZ3 4.14Å; I39-W53 HydrophobicContact CG2-CH2 3.83Å; I39-W53 HydrophobicContact CG2-CZ3 3.75Å; I39-W53 WeakPolarHBondContact O-CH2 3.4Å; I39-T90 CarbonylContact O-C 3.58Å; I39-T90 VanDerWaalsContact O-CA 3.26Å; I39-T90 WeakPolarHBondContact O-CA 3.45Å; I39-L91 HydrophobicContact CB-CB 4.39Å; I39-L91 HydrophobicContact CD1-CD2 4.44Å; I39-L91 PolarHBondContact N-O 2.85Å; I39-L91 PolarHBondContact O-N 3.48Å; I39-Y104 HydrophobicContact CD1-CD1 4.29Å; I39-Y104 HydrophobicContact CD1-CD2 3.51Å; I39-Y104 HydrophobicContact CD1-CE2 4.12Å; I39-Y104 HydrophobicContact CD1-CG 3.59Å
40	T	97.9	Very high	95.8	Very high	48 Å²	48	61.8 Å²	61.8	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.8	-177.3	55.9	0	0	0	0	110.3	T89 T90	T40-T89 WeakPolarHBondContact CA-O 3.26Å; T40-T90 HydrophobicContact CG2-CG2 4.22Å
41	C	97.5	Very high	95.7	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.4	172	171.9	0	0	0	0	109.4	T24 Q25 W53 T88 T89 C106	T24-C41 CarbonylContact O-C 3.59Å; T24-C41 WeakPolarHBondContact O-CA 3.26Å; Q25-C41 HydrophobicContact CG-CB 3.7Å; C41-W53 HydrophobicContact CB-CH2 3.91Å; C41-W53 HydrophobicContact CB-CZ2 4.12Å; C41-T88 CarbonylContact O-C 3.54Å; C41-T88 VanDerWaalsContact O-CA 3.29Å; C41-T88 WeakPolarHBondContact O-CA 3.32Å; C41-T89 HydrophobicContact CB-CG2 3.69Å; C41-T89 PolarHBondContact N-O 3.46Å; C41-T89 PolarHBondContact O-N 2.88Å; C41-C106 HydrophobicContact CB-CB 3.37Å; C41-C106 WeakPolarHBondContact CB-SG 3.42Å; C41-C106 WeakPolarHBondContact SG-CB 3.4Å; C41-C106 CovalentContact SG-SG 2.01Å; C41-C106 PolarHBondContact SG-SG 3.38Å
42	S	97.1	Very high	95.7	Very high	46 Å²	46	54 Å²	54	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.7	-177.6	-57.5	0	0	0	0	111	T24 N87 T88	T24-S42 PolarHBondContact N-O 2.84Å; T24-S42 PolarHBondContact O-N 3.36Å; S42-N87 WeakPolarHBondContact CA-O 3.39Å; S42-T88 WeakPolarHBondContact OG-CG2 3.34Å; S42-T88 PolarHBondContact OG-OG1 2.88Å
43	G	95	Very high	95.7	Very high	10 Å²	10	50.5 Å²	50.5	10%	0.103	28%	0.284	C	S	.	.			trans	178.6	147.5	174.8	0	0	0	0	0	110.5	V45 L46 N87	G43-V45 PolarHBondContact O-N 2.99Å; G43-L46 WeakPolarHBondContact O-CB 3.32Å; G43-L46 PolarHBondContact O-N 3.22Å; G43-N87 PolarHBondContact N-O 2.66Å; G43-N87 WeakPolarHBondContact O-CB 3.49Å
44	D	92.6	Very high	95.8	Very high	133 Å²	133	48.8 Å²	48.8	71%	0.711	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-60.8	-33.5	-168.7	-69.8	-30	0	0	0	113.4	L46 G47 N87	D44-L46 PolarHBondContact O-N 2.84Å; D44-G47 PolarHBondContact O-N 2.66Å; D44-N87 WeakPolarHBondContact CA-ND2 3.33Å; D44-N87 PolarHBondContact OD1-ND2 2.88Å
45	V	91.7	Very high	95.8	Very high	26 Å²	26	47.2 Å²	47.2	16%	0.158	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64.2	-26.5	179.4	68.6	0	0	0	0	113	Y21 L23 G43 G47 E48 N49	Y21-V45 HydrophobicContact CD1-CB 4.08Å; Y21-V45 HydrophobicContact CD1-CG2 4.36Å; Y21-V45 HydrophobicContact CG-CB 4.29Å; Y21-V45 HydrophobicContact CG-CG2 4.44Å; L23-V45 HydrophobicContact CD2-CG1 4Å; G43-V45 PolarHBondContact O-N 2.99Å; V45-G47 PolarHBondContact O-N 3.03Å; V45-G47 VanDerWaalsContact O-N 3.15Å; V45-E48 PolarHBondContact O-N 3.27Å; V45-N49 HydrophobicContact CG2-CB 4.46Å; V45-N49 WeakPolarHBondContact CG2-ND2 3.41Å; V45-N49 WeakPolarHBondContact O-CB 3.35Å; V45-N49 PolarHBondContact O-N 3.21Å
46	L	93.1	Very high	95.8	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-68.5	-12.4	180	-61.9	176.9	0	0	0	113.5	L23 G43 D44 E48 A51 T89	L23-L46 HydrophobicContact CD2-CD1 3.93Å; L23-L46 HydrophobicContact CD2-CD2 4.08Å; L23-L46 HydrophobicContact CD2-CG 3.76Å; G43-L46 WeakPolarHBondContact O-CB 3.32Å; G43-L46 PolarHBondContact O-N 3.22Å; D44-L46 PolarHBondContact O-N 2.84Å; L46-E48 VanDerWaalsContact C-N 3.28Å; L46-A51 HydrophobicContact CD2-CB 4.02Å; L46-T89 HydrophobicContact CD1-CG2 3.95Å
47	G	90.9	Very high	95.7	Very high	39 Å²	39	44.7 Å²	44.7	40%	0.402	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-76.6	-16.1	176	0	0	0	0	0	114	D44 V45 N87	D44-G47 PolarHBondContact O-N 2.66Å; V45-G47 PolarHBondContact O-N 3.03Å; V45-G47 VanDerWaalsContact O-N 3.15Å; G47-N87 WeakPolarHBondContact CA-OD1 3.46Å
48	E	90.2	Very high	95.6	Very high	159 Å²	159	50.1 Å²	50.1	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	-1.6	-175.1	-59.7	-178	174.8	0	0	112.6	V45 L46	V45-E48 PolarHBondContact O-N 3.27Å; L46-E48 VanDerWaalsContact C-N 3.28Å
49	N	92.7	Very high	95.6	Very high	26 Å²	26	47 Å²	47	14%	0.139	28%	0.278	C	S	.	.	S	Bend	trans	-136.6	157.5	-172.2	-85.2	-7.7	0	0	0	110.7	V45 S108 G109 D110	V45-N49 HydrophobicContact CG2-CB 4.46Å; V45-N49 WeakPolarHBondContact CG2-ND2 3.41Å; V45-N49 WeakPolarHBondContact O-CB 3.35Å; V45-N49 PolarHBondContact O-N 3.21Å; N49-S108 WeakPolarHBondContact CB-OG 3.47Å; N49-S108 PolarHBondContact ND2-OG 3.29Å; N49-G109 VanDerWaalsContact CB-O 3.23Å; N49-G109 WeakPolarHBondContact CB-O 3.22Å; N49-D110 PolarHBondContact ND2-OD1 3.21Å
50	Y	94.3	Very high	95.5	Very high	65 Å²	65	50.8 Å²	50.8	26%	0.255	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	153.2	170.3	-68.9	-48.7	0	0	0	112	E68 D69 S108 G109 E111 P114	Y50-E68 HydrophobicContact CD1-CB 4.4Å; Y50-E68 HydrophobicContact CD2-CG 3.92Å; Y50-E68 HydrophobicContact CE2-CG 4.12Å; Y50-E68 HydrophobicContact CG-CB 4.36Å; Y50-E68 HydrophobicContact CG-CG 4.23Å; Y50-D69 WeakPolarHBondContact CD1-OD2 3.46Å; Y50-S108 CarbonylContact O-C 3.51Å; Y50-S108 WeakPolarHBondContact O-CA 3.45Å; Y50-G109 PolarHBondContact N-O 3.22Å; Y50-G109 PolarHBondContact O-N 3.36Å; Y50-E111 HydrophobicContact CD1-CG 4.19Å; Y50-E111 HydrophobicContact CD2-CB 4.3Å; Y50-E111 HydrophobicContact CD2-CG 3.98Å; Y50-E111 HydrophobicContact CE1-CG 4.09Å; Y50-E111 HydrophobicContact CE2-CB 4.02Å; Y50-E111 HydrophobicContact CE2-CG 3.88Å; Y50-E111 HydrophobicContact CG-CG 4.12Å; Y50-P114 HydrophobicContact CD2-CB 4.42Å; Y50-P114 HydrophobicContact CE2-CB 4.46Å
51	A	95.6	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.1	169	0	0	0	0	0	112.2	L46 D69 T89 L107	L46-A51 HydrophobicContact CD2-CB 4.02Å; A51-D69 VanDerWaalsContact CB-OD1 3.32Å; A51-D69 WeakPolarHBondContact CB-OD1 3.25Å; A51-D69 PolarHBondContact N-OD1 2.96Å; A51-D69 WeakPolarHBondContact O-CA 3.41Å; A51-D69 PolarHBondContact O-N 2.78Å; A51-T89 HydrophobicContact CB-CG2 3.72Å; A51-T89 WeakPolarHBondContact CB-OG1 3.44Å; A51-L107 WeakPolarHBondContact CA-O 3.3Å
52	D	96.6	Very high	95.5	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.011	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	150.5	170.7	-61.1	-19.9	0	0	0	110	Y54 L64 I66 Y67 E68 C106 L107 S115	D52-Y54 HydrophobicContact CB-CE2 3.92Å; D52-L64 HydrophobicContact CB-CD1 4.08Å; D52-I66 CarbonylContact C-O 3.58Å; D52-I66 WeakPolarHBondContact CA-O 3.22Å; D52-Y67 WeakPolarHBondContact OD1-CA 3.43Å; D52-E68 PolarHBondContact OD1-N 2.84Å; D52-E68 VanDerWaalsContact OD1-N 3.07Å; D52-C106 CarbonylContact O-C 3.59Å; D52-C106 VanDerWaalsContact O-CA 3.26Å; D52-C106 WeakPolarHBondContact O-CA 3.44Å; D52-L107 HydrophobicContact CB-CB 4.45Å; D52-L107 PolarHBondContact N-O 3.04Å; D52-L107 PolarHBondContact O-N 3.16Å; D52-S115 PolarHBondContact OD2-OG 3.42Å
53	W	98.1	Very high	95.5	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.8	176.2	-73.8	89.8	0	0	0	111	Q25 I39 C41 V65 I66 T89 L91 Y105 C106	Q25-W53 VanDerWaalsContact OE1-CZ3 3.29Å; I39-W53 HydrophobicContact CB-CH2 4.08Å; I39-W53 HydrophobicContact CB-CZ3 4.14Å; I39-W53 HydrophobicContact CG2-CH2 3.83Å; I39-W53 HydrophobicContact CG2-CZ3 3.75Å; I39-W53 WeakPolarHBondContact O-CH2 3.4Å; C41-W53 HydrophobicContact CB-CH2 3.91Å; C41-W53 HydrophobicContact CB-CZ2 4.12Å; W53-V65 WeakPolarHBondContact O-CA 3.26Å; W53-V65 WeakPolarHBondContact O-CB 3.42Å; W53-V65 PolarHBondContact O-N 2.96Å; W53-I66 HydrophobicContact CB-CB 4.09Å; W53-I66 HydrophobicContact CB-CG1 4.46Å; W53-I66 HydrophobicContact CG-CB 4.49Å; W53-I66 PolarHBondContact N-O 3.07Å; W53-I66 PolarHBondContact O-N 2.88Å; W53-T89 HydrophobicContact CZ2-CG2 3.67Å; W53-T89 PolarHBondContact NE1-OG1 2.98Å; W53-L91 HydrophobicContact CB-CD1 4.3Å; W53-L91 HydrophobicContact CB-CD2 4.43Å; W53-L91 HydrophobicContact CD2-CB 3.54Å; W53-L91 HydrophobicContact CD2-CD2 4.2Å; W53-L91 HydrophobicContact CD2-CG 4.3Å; W53-L91 HydrophobicContact CE3-CB 3.75Å; W53-L91 HydrophobicContact CE3-CD2 3.93Å; W53-L91 HydrophobicContact CE3-CG 4.42Å; W53-L91 HydrophobicContact CG-CB 4.04Å; W53-L91 HydrophobicContact CG-CD1 4.18Å; W53-L91 HydrophobicContact CG-CD2 4.43Å; W53-L91 HydrophobicContact CG-CG 4.46Å; W53-L91 HydrophobicContact CH2-CB 3.99Å; W53-L91 HydrophobicContact CZ2-CB 3.79Å; W53-L91 HydrophobicContact CZ3-CB 3.97Å; W53-Y105 CarbonylContact C-O 3.23Å; W53-Y105 WeakPolarHBondContact CA-O 3.33Å; W53-C106 HydrophobicContact CD2-CB 4.47Å; W53-C106 HydrophobicContact CE3-CB 4.38Å; W53-C106 HydrophobicContact CH2-CB 4.35Å; W53-C106 HydrophobicContact CZ2-CB 4.44Å; W53-C106 HydrophobicContact CZ3-CB 4.32Å
54	Y	98	Very high	95.6	Very high	60 Å²	60	59.2 Å²	59.2	24%	0.235	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.4	175.9	-66.3	-97.1	0	0	0	110.9	D52 P62 E63 L64 Y104 Y105 L107	D52-Y54 HydrophobicContact CB-CE2 3.92Å; Y54-P62 HydrophobicContact CD1-CB 4.3Å; Y54-E63 CarbonylContact C-O 3.02Å; Y54-E63 WeakPolarHBondContact CA-O 3.48Å; Y54-L64 HydrophobicContact CD1-CB 4.27Å; Y54-L64 HydrophobicContact CD1-CD1 4.42Å; Y54-L64 HydrophobicContact CE1-CB 3.95Å; Y54-L64 HydrophobicContact CE1-CD1 3.97Å; Y54-L64 HydrophobicContact CE2-CD1 4.08Å; Y54-Y104 WeakPolarHBondContact O-CA 3.5Å; Y54-Y105 PolarHBondContact N-O 3.22Å; Y54-Y105 PolarHBondContact O-N 2.92Å; Y54-L107 HydrophobicContact CD2-CB 4.43Å; Y54-L107 HydrophobicContact CE2-CB 4.04Å; Y54-L107 HydrophobicContact CE2-CD2 4.08Å
55	Q	98.3	Very high	95.9	Very high	17 Å²	17	53 Å²	53	8%	0.079	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	133.1	170.4	178	-175.8	71.1	0	0	109.2	P62 E63 V65 A102 Y104	Q55-P62 CarbonylContact O-C 3.52Å; Q55-P62 WeakPolarHBondContact O-CA 3.41Å; Q55-E63 PolarHBondContact N-O 3.17Å; Q55-E63 PolarHBondContact O-N 2.84Å; Q55-V65 HydrophobicContact CB-CG2 3.47Å; Q55-V65 VanDerWaalsContact CB-CG2 3.47Å; Q55-A102 HydrophobicContact CG-CB 3.46Å; Q55-A102 VanDerWaalsContact CG-CB 3.46Å; Q55-Y104 HydrophobicContact CB-CD1 4.13Å; Q55-Y104 HydrophobicContact CB-CE1 3.87Å; Q55-Y104 HydrophobicContact CG-CD1 4.4Å; Q55-Y104 HydrophobicContact CG-CE1 3.84Å; Q55-Y104 PolarHBondContact NE2-OH 3.35Å
56	Q	98.2	Very high	96.2	Very high	55 Å²	55	51.7 Å²	51.7	26%	0.257	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	112	171.8	-173.9	176.2	23.8	0	0	110.4	Q60 P62 A102 D103 Y105	Q56-Q60 WeakPolarHBondContact CG-O 3.27Å; Q56-Q60 PolarHBondContact NE2-O 2.65Å; Q56-P62 HydrophobicContact CB-CB 4.46Å; Q56-P62 HydrophobicContact CB-CG 4.31Å; Q56-P62 HydrophobicContact CG-CG 4.33Å; Q56-A102 WeakPolarHBondContact O-CB 3.23Å; Q56-D103 HydrophobicContact CB-CB 4.39Å; Q56-D103 PolarHBondContact N-O 2.93Å; Q56-D103 PolarHBondContact O-N 2.81Å; Q56-Y105 HydrophobicContact CB-CD2 4.44Å; Q56-Y105 HydrophobicContact CB-CE2 3.83Å; Q56-Y105 PolarHBondContact OE1-OH 3.49Å
57	K	97.3	Very high	96.3	Very high	65 Å²	65	54.4 Å²	54.4	28%	0.283	31%	0.312	S	S	.	.			trans	-82.6	156.6	171.8	-66.7	-179.8	178.1	-179.4	0	110.8	G59 Q60 E99 A102	K57-G59 PolarHBondContact O-N 2.98Å; K57-G59 VanDerWaalsContact O-N 3.13Å; K57-Q60 HydrophobicContact CB-CB 4.35Å; K57-Q60 HydrophobicContact CB-CG 4.32Å; K57-Q60 PolarHBondContact O-N 2.93Å; K57-E99 VanDerWaalsContact CE-O 3.25Å; K57-E99 WeakPolarHBondContact CE-O 3.32Å; K57-E99 PolarHBondContact NZ-O 2.8Å; K57-A102 HydrophobicContact CG-CB 4.09Å
58	P	96.9	Very high	96.6	Very high	121 Å²	121	55.3 Å²	55.3	79%	0.786	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	121	179.1	-28.5	35.7	0	0	0	112.8	Q60	P58-Q60 VanDerWaalsContact C-N 3.3Å; P58-Q60 PolarHBondContact O-N 2.78Å
59	G	96.9	Very high	96.8	Very high	92 Å²	92	49.2 Å²	49.2	95%	0.948	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	8	178.9	0	0	0	0	0	115.6	K57	K57-G59 PolarHBondContact O-N 2.98Å; K57-G59 VanDerWaalsContact O-N 3.13Å
60	Q	97.1	Very high	97	Very high	99 Å²	99	51.3 Å²	51.3	46%	0.463	30%	0.295	S	S	.	.	S	Bend	trans	-108.5	160.5	176.6	-61.5	-171.9	-26.9	0	0	111.3	Q56 K57 P58	Q56-Q60 WeakPolarHBondContact CG-O 3.27Å; Q56-Q60 PolarHBondContact NE2-O 2.65Å; K57-Q60 HydrophobicContact CB-CB 4.35Å; K57-Q60 HydrophobicContact CB-CG 4.32Å; K57-Q60 PolarHBondContact O-N 2.93Å; P58-Q60 VanDerWaalsContact C-N 3.3Å; P58-Q60 PolarHBondContact O-N 2.78Å
61	A	97.1	Very high	97.2	Very high	73 Å²	73	52.8 Å²	52.8	60%	0.603	30%	0.304	S	S	*	.			trans	-73.2	154.4	168.6	0	0	0	0	0	109.8
62	P	97.3	Very high	97.3	Very high	67 Å²	67	57.3 Å²	57.3	44%	0.435	32%	0.322	S	S	.	.			trans	-60	136	171.1	-22.5	33.7	0	0	0	111.9	Y54 Q55 Q56	Y54-P62 HydrophobicContact CD1-CB 4.3Å; Q55-P62 CarbonylContact O-C 3.52Å; Q55-P62 WeakPolarHBondContact O-CA 3.41Å; Q56-P62 HydrophobicContact CB-CB 4.46Å; Q56-P62 HydrophobicContact CB-CG 4.31Å; Q56-P62 HydrophobicContact CG-CG 4.33Å
63	E	97.5	Very high	97.3	Very high	111 Å²	111	62.9 Å²	62.9	52%	0.519	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.1	175.9	-66.1	-175.5	177.1	0	0	110.3	Y54 Q55	Y54-E63 CarbonylContact C-O 3.02Å; Y54-E63 WeakPolarHBondContact CA-O 3.48Å; Q55-E63 PolarHBondContact N-O 3.17Å; Q55-E63 PolarHBondContact O-N 2.84Å
64	L	97.6	Very high	97.2	Very high	30 Å²	30	68 Å²	68	16%	0.157	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.2	178.8	-176.6	60.7	0	0	0	110.5	D52 Y54 I66 Y73	D52-L64 HydrophobicContact CB-CD1 4.08Å; Y54-L64 HydrophobicContact CD1-CB 4.27Å; Y54-L64 HydrophobicContact CD1-CD1 4.42Å; Y54-L64 HydrophobicContact CE1-CB 3.95Å; Y54-L64 HydrophobicContact CE1-CD1 3.97Å; Y54-L64 HydrophobicContact CE2-CD1 4.08Å; L64-I66 VanDerWaalsContact CD1-O 3.31Å; L64-I66 WeakPolarHBondContact CD1-O 3.27Å; L64-Y73 HydrophobicContact CB-CD2 4.4Å; L64-Y73 HydrophobicContact CB-CG 4.43Å; L64-Y73 HydrophobicContact CD2-CD2 3.65Å; L64-Y73 HydrophobicContact CD2-CE2 4.02Å; L64-Y73 HydrophobicContact CD2-CG 4.4Å; L64-Y73 HydrophobicContact CG-CD2 4.1Å; L64-Y73 HydrophobicContact CG-CG 4.38Å; L64-Y73 WeakPolarHBondContact O-CB 2.99Å
65	V	98.1	Very high	97.2	Very high	1 Å²	1	69 Å²	69	1%	0.006	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-54.7	-176.7	-177.4	0	0	0	0	111	W53 Q55 Y73 I76 F80 L91	W53-V65 WeakPolarHBondContact O-CA 3.26Å; W53-V65 WeakPolarHBondContact O-CB 3.42Å; W53-V65 PolarHBondContact O-N 2.96Å; Q55-V65 HydrophobicContact CB-CG2 3.47Å; Q55-V65 VanDerWaalsContact CB-CG2 3.47Å; V65-Y73 PolarHBondContact O-N 2.81Å; V65-I76 HydrophobicContact CG1-CD1 4.45Å; V65-I76 HydrophobicContact CG1-CG2 3.67Å; V65-I76 HydrophobicContact CG2-CD1 4.36Å; V65-F80 HydrophobicContact CG1-CB 4.21Å; V65-F80 HydrophobicContact CG1-CD1 3.59Å; V65-F80 HydrophobicContact CG1-CE1 4.23Å; V65-F80 HydrophobicContact CG1-CG 4.08Å; V65-L91 HydrophobicContact CG1-CD1 4.46Å
66	I	98.3	Very high	97.2	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.7	175.1	-54	-63.4	0	0	0	107.3	D52 W53 L64 E71 R72 L91	D52-I66 CarbonylContact C-O 3.58Å; D52-I66 WeakPolarHBondContact CA-O 3.22Å; W53-I66 HydrophobicContact CB-CB 4.09Å; W53-I66 HydrophobicContact CB-CG1 4.46Å; W53-I66 HydrophobicContact CG-CB 4.49Å; W53-I66 PolarHBondContact N-O 3.07Å; W53-I66 PolarHBondContact O-N 2.88Å; L64-I66 VanDerWaalsContact CD1-O 3.31Å; L64-I66 WeakPolarHBondContact CD1-O 3.27Å; I66-E71 CarbonylContact C-O 3.58Å; I66-E71 VanDerWaalsContact CA-O 3.23Å; I66-E71 WeakPolarHBondContact CA-O 3.37Å; I66-E71 WeakPolarHBondContact CG2-O 3.48Å; I66-R72 HydrophobicContact CD1-CB 3.87Å; I66-R72 HydrophobicContact CD1-CG 4.15Å; I66-L91 HydrophobicContact CG1-CD1 3.63Å
67	Y	96.2	Very high	97.1	Very high	61 Å²	61	69.1 Å²	69.1	24%	0.239	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	164.8	170.1	70.3	-77.2	0	0	0	109.8	D52 D69 S70 E71	D52-Y67 WeakPolarHBondContact OD1-CA 3.43Å; Y67-D69 VanDerWaalsContact C-N 3.26Å; Y67-D69 PolarHBondContact O-N 3.31Å; Y67-S70 PolarHBondContact O-N 3.18Å; Y67-E71 HydrophobicContact CD1-CB 3.82Å; Y67-E71 VanDerWaalsContact CD1-O 3.22Å; Y67-E71 WeakPolarHBondContact CD1-O 3.39Å; Y67-E71 HydrophobicContact CD2-CB 4.14Å; Y67-E71 HydrophobicContact CE1-CB 3.43Å; Y67-E71 VanDerWaalsContact CE1-CB 3.43Å; Y67-E71 HydrophobicContact CE2-CB 3.76Å; Y67-E71 HydrophobicContact CE2-CG 4.29Å; Y67-E71 HydrophobicContact CG-CB 4.15Å; Y67-E71 PolarHBondContact N-O 2.78Å; Y67-E71 WeakPolarHBondContact O-CA 3.41Å; Y67-E71 WeakPolarHBondContact O-CB 3.44Å; Y67-E71 PolarHBondContact O-N 2.91Å
68	E	95.5	Very high	97.2	Very high	57 Å²	57	73.6 Å²	73.6	27%	0.266	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	48.5	177.5	-72.5	176.5	-145.8	0	0	112.3	Y50 D52 S70 E71 P114	Y50-E68 HydrophobicContact CD1-CB 4.4Å; Y50-E68 HydrophobicContact CD2-CG 3.92Å; Y50-E68 HydrophobicContact CE2-CG 4.12Å; Y50-E68 HydrophobicContact CG-CB 4.36Å; Y50-E68 HydrophobicContact CG-CG 4.23Å; D52-E68 PolarHBondContact OD1-N 2.84Å; D52-E68 VanDerWaalsContact OD1-N 3.07Å; E68-S70 PolarHBondContact O-N 3.32Å; E68-E71 HydrophobicContact CB-CG 4.34Å; E68-P114 HydrophobicContact CG-CB 3.71Å; E68-P114 WeakPolarHBondContact OE1-CB 3.23Å
69	D	96.1	Very high	97.2	Very high	32 Å²	32	69.1 Å²	69.1	17%	0.171	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	-33.5	-177.9	-62.6	-43.7	0	0	0	117.6	Y50 A51 Y67 G82 S83 T84	Y50-D69 WeakPolarHBondContact CD1-OD2 3.46Å; A51-D69 VanDerWaalsContact CB-OD1 3.32Å; A51-D69 WeakPolarHBondContact CB-OD1 3.25Å; A51-D69 PolarHBondContact N-OD1 2.96Å; A51-D69 WeakPolarHBondContact O-CA 3.41Å; A51-D69 PolarHBondContact O-N 2.78Å; Y67-D69 VanDerWaalsContact C-N 3.26Å; Y67-D69 PolarHBondContact O-N 3.31Å; D69-G82 CarbonylContact O-C 3.47Å; D69-G82 VanDerWaalsContact O-CA 3.27Å; D69-G82 WeakPolarHBondContact O-CA 3.49Å; D69-S83 PolarHBondContact O-N 3.19Å; D69-T84 VanDerWaalsContact CG-OG1 3.28Å; D69-T84 WeakPolarHBondContact OD1-CB 3.44Å; D69-T84 PolarHBondContact OD1-OG1 2.78Å
70	S	97	Very high	97.3	Very high	69 Å²	69	64.9 Å²	64.9	48%	0.483	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.8	-13.3	-166.9	66.2	0	0	0	0	115.1	Y67 E68 R72	Y67-S70 PolarHBondContact O-N 3.18Å; E68-S70 PolarHBondContact O-N 3.32Å; S70-R72 PolarHBondContact O-N 2.86Å
71	E	97	Very high	97.4	Very high	96 Å²	96	62.8 Å²	62.8	45%	0.449	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	125.5	-179.6	-65.6	-59.7	153.4	0	0	110.4	I66 Y67 E68	I66-E71 CarbonylContact C-O 3.58Å; I66-E71 VanDerWaalsContact CA-O 3.23Å; I66-E71 WeakPolarHBondContact CA-O 3.37Å; I66-E71 WeakPolarHBondContact CG2-O 3.48Å; Y67-E71 HydrophobicContact CD1-CB 3.82Å; Y67-E71 VanDerWaalsContact CD1-O 3.22Å; Y67-E71 WeakPolarHBondContact CD1-O 3.39Å; Y67-E71 HydrophobicContact CD2-CB 4.14Å; Y67-E71 HydrophobicContact CE1-CB 3.43Å; Y67-E71 VanDerWaalsContact CE1-CB 3.43Å; Y67-E71 HydrophobicContact CE2-CB 3.76Å; Y67-E71 HydrophobicContact CE2-CG 4.29Å; Y67-E71 HydrophobicContact CG-CB 4.15Å; Y67-E71 PolarHBondContact N-O 2.78Å; Y67-E71 WeakPolarHBondContact O-CA 3.41Å; Y67-E71 WeakPolarHBondContact O-CB 3.44Å; Y67-E71 PolarHBondContact O-N 2.91Å; E68-E71 HydrophobicContact CB-CG 4.34Å
72	R	97.8	Very high	97.4	Very high	96 Å²	96	59.9 Å²	59.9	36%	0.362	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.8	-174.4	176	159.4	32.8	92.3	6.3	110.4	I66 S70 I76 P77 F80	I66-R72 HydrophobicContact CD1-CB 3.87Å; I66-R72 HydrophobicContact CD1-CG 4.15Å; S70-R72 PolarHBondContact O-N 2.86Å; R72-I76 HydrophobicContact CG-CB 3.69Å; R72-I76 HydrophobicContact CG-CG2 3.77Å; R72-I76 PolarHBondContact NH1-O 2.94Å; R72-P77 WeakPolarHBondContact CD-O 3.27Å; R72-F80 WeakPolarHBondContact CD-O 3.2Å; R72-F80 PolarHBondContact NE-O 3.06Å; R72-F80 VanDerWaalsContact NE-O 3.1Å
73	Y	97.2	Very high	97.5	Very high	119 Å²	119	59.4 Å²	59.4	47%	0.467	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-61.8	141.6	-177.8	-162.7	-100.1	0	0	0	111.4	L64 V65 G75 I76	L64-Y73 HydrophobicContact CB-CD2 4.4Å; L64-Y73 HydrophobicContact CB-CG 4.43Å; L64-Y73 HydrophobicContact CD2-CD2 3.65Å; L64-Y73 HydrophobicContact CD2-CE2 4.02Å; L64-Y73 HydrophobicContact CD2-CG 4.4Å; L64-Y73 HydrophobicContact CG-CD2 4.1Å; L64-Y73 HydrophobicContact CG-CG 4.38Å; L64-Y73 WeakPolarHBondContact O-CB 2.99Å; V65-Y73 PolarHBondContact O-N 2.81Å; Y73-G75 PolarHBondContact O-N 2.79Å; Y73-I76 VanDerWaalsContact O-CB 3.27Å; Y73-I76 WeakPolarHBondContact O-CB 3.17Å; Y73-I76 VanDerWaalsContact O-CG1 3.26Å; Y73-I76 WeakPolarHBondContact O-CG1 3.31Å; Y73-I76 PolarHBondContact O-N 3.02Å; Y73-I76 VanDerWaalsContact O-N 3.11Å
74	P	97	Very high	97.4	Very high	106 Å²	106	56.3 Å²	56.3	69%	0.688	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	133.4	-179.6	-27.7	35.8	0	0	0	113	I76	P74-I76 VanDerWaalsContact C-N 3.34Å
75	G	97	Very high	97.3	Very high	83 Å²	83	59.7 Å²	59.7	86%	0.856	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-13	-177.3	0	0	0	0	0	114.2	Y73	Y73-G75 PolarHBondContact O-N 2.79Å
76	I	97.6	Very high	97.2	Very high	25 Å²	25	62 Å²	62	13%	0.128	37%	0.366	C	S	.	.	S	Bend	trans	-76.7	129.6	174.5	-57.8	-64.1	0	0	0	110.3	V65 R72 Y73 P74 F80	V65-I76 HydrophobicContact CG1-CD1 4.45Å; V65-I76 HydrophobicContact CG1-CG2 3.67Å; V65-I76 HydrophobicContact CG2-CD1 4.36Å; R72-I76 HydrophobicContact CG-CB 3.69Å; R72-I76 HydrophobicContact CG-CG2 3.77Å; R72-I76 PolarHBondContact NH1-O 2.94Å; Y73-I76 VanDerWaalsContact O-CB 3.27Å; Y73-I76 WeakPolarHBondContact O-CB 3.17Å; Y73-I76 VanDerWaalsContact O-CG1 3.26Å; Y73-I76 WeakPolarHBondContact O-CG1 3.31Å; Y73-I76 PolarHBondContact O-N 3.02Å; Y73-I76 VanDerWaalsContact O-N 3.11Å; P74-I76 VanDerWaalsContact C-N 3.34Å; I76-F80 HydrophobicContact CG2-CB 3.82Å; I76-F80 HydrophobicContact CG2-CD2 4.02Å; I76-F80 HydrophobicContact CG2-CG 3.93Å
77	P	97.8	Very high	97.1	Very high	48 Å²	48	65.2 Å²	65.2	31%	0.312	38%	0.383	S	S	.	.			trans	-59.1	146.4	-177.4	-27.1	36.4	0	0	0	114.1	R72 R79 F80	R72-P77 WeakPolarHBondContact CD-O 3.27Å; P77-R79 HydrophobicContact CB-CG 4.13Å; P77-R79 VanDerWaalsContact CB-NH1 3.28Å; P77-R79 PolarHBondContact O-N 2.97Å; P77-F80 HydrophobicContact CB-CD2 4.21Å; P77-F80 HydrophobicContact CB-CE2 4.44Å; P77-F80 HydrophobicContact CG-CD2 4.49Å; P77-F80 HydrophobicContact CG-CE2 4.38Å; P77-F80 PolarHBondContact O-N 3.44Å
78	E	97.8	Very high	97.1	Very high	160 Å²	160	64.5 Å²	64.5	75%	0.748	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-11.6	178.5	-67	-177.5	170	0	0	115.8	F80	E78-F80 PolarHBondContact O-N 3.13Å
79	R	98.3	Very high	97.2	Very high	26 Å²	26	61.8 Å²	61.8	10%	0.098	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-18.5	176.8	78.1	-179.4	168	-93.8	-2.2	113.2	P77 I93 S94 E99 D100	P77-R79 HydrophobicContact CB-CG 4.13Å; P77-R79 VanDerWaalsContact CB-NH1 3.28Å; P77-R79 PolarHBondContact O-N 2.97Å; R79-I93 HydrophobicContact CG-CG2 4.17Å; R79-S94 WeakPolarHBondContact CA-OG 3.26Å; R79-S94 VanDerWaalsContact CB-O 3.26Å; R79-S94 WeakPolarHBondContact CB-O 3.39Å; R79-S94 WeakPolarHBondContact CD-O 3.38Å; R79-S94 PolarHBondContact O-N 3.04Å; R79-S94 PolarHBondContact O-OG 3.4Å; R79-S94 VanDerWaalsContact O-OG 3.09Å; R79-E99 IonicContact CZ-OE1 2.99Å; R79-E99 IonicContact NH1-OE1 3.22Å; R79-E99 PolarHBondContact NH1-OE1 3.27Å; R79-E99 IonicContact NH2-OE1 3.34Å; R79-E99 PolarHBondContact NH2-OE1 3.15Å; R79-D100 IonicContact CZ-OD1 3.46Å; R79-D100 IonicContact CZ-OD2 2.7Å; R79-D100 IonicContact NE-OD1 3.71Å; R79-D100 PolarHBondContact NE-OD1 3.19Å; R79-D100 IonicContact NE-OD2 3.45Å; R79-D100 PolarHBondContact NE-OD2 3.44Å; R79-D100 IonicContact NH2-OD1 2.66Å; R79-D100 PolarHBondContact NH2-OD1 3.19Å; R79-D100 IonicContact NH2-OD2 3.7Å
80	F	98.6	Very high	97.3	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.018	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	138.8	177.5	-69.5	-102.6	0	0	0	111.2	V65 R72 I76 P77 E78 L91 T92 I93 D100 Y104	V65-F80 HydrophobicContact CG1-CB 4.21Å; V65-F80 HydrophobicContact CG1-CD1 3.59Å; V65-F80 HydrophobicContact CG1-CE1 4.23Å; V65-F80 HydrophobicContact CG1-CG 4.08Å; R72-F80 WeakPolarHBondContact CD-O 3.2Å; R72-F80 PolarHBondContact NE-O 3.06Å; R72-F80 VanDerWaalsContact NE-O 3.1Å; I76-F80 HydrophobicContact CG2-CB 3.82Å; I76-F80 HydrophobicContact CG2-CD2 4.02Å; I76-F80 HydrophobicContact CG2-CG 3.93Å; P77-F80 HydrophobicContact CB-CD2 4.21Å; P77-F80 HydrophobicContact CB-CE2 4.44Å; P77-F80 HydrophobicContact CG-CD2 4.49Å; P77-F80 HydrophobicContact CG-CE2 4.38Å; P77-F80 PolarHBondContact O-N 3.44Å; E78-F80 PolarHBondContact O-N 3.13Å; F80-L91 HydrophobicContact CD1-CD1 4.39Å; F80-T92 CarbonylContact C-O 3.51Å; F80-T92 WeakPolarHBondContact CA-O 3.42Å; F80-I93 HydrophobicContact CD1-CB 4.5Å; F80-I93 HydrophobicContact CD1-CD1 4.04Å; F80-I93 HydrophobicContact CD1-CG1 3.68Å; F80-I93 HydrophobicContact CD1-CG2 4.29Å; F80-I93 HydrophobicContact CD2-CG2 4.41Å; F80-I93 HydrophobicContact CE1-CB 4.4Å; F80-I93 HydrophobicContact CE1-CD1 3.43Å; F80-I93 VanDerWaalsContact CE1-CD1 3.43Å; F80-I93 HydrophobicContact CE1-CG1 3.59Å; F80-I93 HydrophobicContact CE1-CG2 3.97Å; F80-I93 HydrophobicContact CE2-CG2 4.1Å; F80-I93 HydrophobicContact CG-CG1 4.49Å; F80-I93 HydrophobicContact CG-CG2 4.49Å; F80-I93 HydrophobicContact CZ-CD1 4.1Å; F80-I93 HydrophobicContact CZ-CG1 4.33Å; F80-I93 HydrophobicContact CZ-CG2 3.86Å; F80-D100 VanDerWaalsContact CZ-OD1 3.3Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.34Å; F80-Y104 HydrophobicContact CE1-CE1 4.04Å
81	S	98.6	Very high	97.4	Very high	55 Å²	55	58.1 Å²	58.1	39%	0.385	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	143.1	176.1	50.6	0	0	0	0	110.3	T92	S81-T92 PolarHBondContact N-O 2.81Å; S81-T92 PolarHBondContact O-N 2.75Å; S81-T92 PolarHBondContact OG-O 2.9Å
82	G	98.2	Very high	97.5	Very high	11 Å²	11	54.4 Å²	54.4	11%	0.113	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	160.2	171	0	0	0	0	0	112.2	D69 T90	D69-G82 CarbonylContact O-C 3.47Å; D69-G82 VanDerWaalsContact O-CA 3.27Å; D69-G82 WeakPolarHBondContact O-CA 3.49Å; G82-T90 WeakPolarHBondContact CA-O 3.4Å
83	S	97.6	Very high	97.5	Very high	58 Å²	58	50 Å²	50	41%	0.406	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	141.3	171.1	59.7	0	0	0	0	110.2	D69 T89 T90	D69-S83 PolarHBondContact O-N 3.19Å; S83-T89 CarbonylContact O-C 3.54Å; S83-T89 WeakPolarHBondContact O-CA 3.4Å; S83-T89 PolarHBondContact O-OG1 2.01Å; S83-T90 PolarHBondContact N-O 3.49Å; S83-T90 PolarHBondContact O-N 2.84Å
84	T	96.4	Very high	97.6	Very high	45 Å²	45	46 Å²	46	28%	0.276	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141	175.6	-62.2	0	0	0	0	110.6	D69 G86 T88 T89	D69-T84 VanDerWaalsContact CG-OG1 3.28Å; D69-T84 WeakPolarHBondContact OD1-CB 3.44Å; D69-T84 PolarHBondContact OD1-OG1 2.78Å; T84-G86 WeakPolarHBondContact CG2-O 3.37Å; T84-T88 WeakPolarHBondContact CA-O 3.47Å; T84-T89 WeakPolarHBondContact OG1-CB 3.49Å; T84-T89 PolarHBondContact OG1-OG1 3.21Å
85	S	95.7	Very high	97.7	Very high	102 Å²	102	48.4 Å²	48.4	71%	0.713	30%	0.301	S	S	*	.			trans	-142.7	101	178	171	0	0	0	0	109.7	N87 T88	S85-N87 PolarHBondContact O-N 2.87Å; S85-T88 PolarHBondContact N-O 2.91Å; S85-T88 PolarHBondContact O-N 2.66Å
86	G	95.4	Very high	97.7	Very high	50 Å²	50	45.4 Å²	45.4	52%	0.515	27%	0.266	S	S	.	.	S	Bend	trans	58.5	-134.8	-170	0	0	0	0	0	109.9	T84 T88	T84-G86 WeakPolarHBondContact CG2-O 3.37Å; G86-T88 PolarHBondContact O-N 2.87Å
87	N	96	Very high	97.7	Very high	67 Å²	67	47.9 Å²	47.9	36%	0.358	28%	0.279	S	S	.	.	S	Bend	trans	-83	28.2	-174.6	-58.7	12.1	0	0	0	112.6	S42 G43 D44 G47 S85	S42-N87 WeakPolarHBondContact CA-O 3.39Å; G43-N87 PolarHBondContact N-O 2.66Å; G43-N87 WeakPolarHBondContact O-CB 3.49Å; D44-N87 WeakPolarHBondContact CA-ND2 3.33Å; D44-N87 PolarHBondContact OD1-ND2 2.88Å; G47-N87 WeakPolarHBondContact CA-OD1 3.46Å; S85-N87 PolarHBondContact O-N 2.87Å
88	T	97.5	Very high	97.7	Very high	45 Å²	45	50.9 Å²	50.9	28%	0.276	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	122	-176.6	-61.7	0	0	0	0	111.3	C41 S42 T84 S85 G86	C41-T88 CarbonylContact O-C 3.54Å; C41-T88 VanDerWaalsContact O-CA 3.29Å; C41-T88 WeakPolarHBondContact O-CA 3.32Å; S42-T88 WeakPolarHBondContact OG-CG2 3.34Å; S42-T88 PolarHBondContact OG-OG1 2.88Å; T84-T88 WeakPolarHBondContact CA-O 3.47Å; S85-T88 PolarHBondContact N-O 2.91Å; S85-T88 PolarHBondContact O-N 2.66Å; G86-T88 PolarHBondContact O-N 2.87Å
89	T	97.8	Very high	97.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.4	170.8	-173.2	0	0	0	0	110.4	T40 C41 L46 A51 W53 S83 T84 C106	T40-T89 WeakPolarHBondContact CA-O 3.26Å; C41-T89 HydrophobicContact CB-CG2 3.69Å; C41-T89 PolarHBondContact N-O 3.46Å; C41-T89 PolarHBondContact O-N 2.88Å; L46-T89 HydrophobicContact CD1-CG2 3.95Å; A51-T89 HydrophobicContact CB-CG2 3.72Å; A51-T89 WeakPolarHBondContact CB-OG1 3.44Å; W53-T89 HydrophobicContact CZ2-CG2 3.67Å; W53-T89 PolarHBondContact NE1-OG1 2.98Å; S83-T89 CarbonylContact O-C 3.54Å; S83-T89 WeakPolarHBondContact O-CA 3.4Å; S83-T89 PolarHBondContact O-OG1 2.01Å; T84-T89 WeakPolarHBondContact OG1-CB 3.49Å; T84-T89 PolarHBondContact OG1-OG1 3.21Å; T89-C106 HydrophobicContact CG2-CB 4.23Å
90	T	98.4	Very high	97.5	Very high	25 Å²	25	47.4 Å²	47.4	15%	0.153	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	120.7	179.9	-56.4	0	0	0	0	110.5	R38 I39 T40 G82 S83	R38-T90 HydrophobicContact CB-CG2 4.19Å; R38-T90 HydrophobicContact CG-CG2 4.37Å; I39-T90 CarbonylContact O-C 3.58Å; I39-T90 VanDerWaalsContact O-CA 3.26Å; I39-T90 WeakPolarHBondContact O-CA 3.45Å; T40-T90 HydrophobicContact CG2-CG2 4.22Å; G82-T90 WeakPolarHBondContact CA-O 3.4Å; S83-T90 PolarHBondContact N-O 3.49Å; S83-T90 PolarHBondContact O-N 2.84Å
91	L	98.7	Very high	97.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.6	163.8	-176.4	66.2	0	0	0	109.2	R38 I39 W53 V65 I66 F80 I93 Y104	R38-L91 WeakPolarHBondContact CA-O 3.32Å; I39-L91 HydrophobicContact CB-CB 4.39Å; I39-L91 HydrophobicContact CD1-CD2 4.44Å; I39-L91 PolarHBondContact N-O 2.85Å; I39-L91 PolarHBondContact O-N 3.48Å; W53-L91 HydrophobicContact CB-CD1 4.3Å; W53-L91 HydrophobicContact CB-CD2 4.43Å; W53-L91 HydrophobicContact CD2-CB 3.54Å; W53-L91 HydrophobicContact CD2-CD2 4.2Å; W53-L91 HydrophobicContact CD2-CG 4.3Å; W53-L91 HydrophobicContact CE3-CB 3.75Å; W53-L91 HydrophobicContact CE3-CD2 3.93Å; W53-L91 HydrophobicContact CE3-CG 4.42Å; W53-L91 HydrophobicContact CG-CB 4.04Å; W53-L91 HydrophobicContact CG-CD1 4.18Å; W53-L91 HydrophobicContact CG-CD2 4.43Å; W53-L91 HydrophobicContact CG-CG 4.46Å; W53-L91 HydrophobicContact CH2-CB 3.99Å; W53-L91 HydrophobicContact CZ2-CB 3.79Å; W53-L91 HydrophobicContact CZ3-CB 3.97Å; V65-L91 HydrophobicContact CG1-CD1 4.46Å; I66-L91 HydrophobicContact CG1-CD1 3.63Å; F80-L91 HydrophobicContact CD1-CD1 4.39Å; L91-I93 HydrophobicContact CD2-CD1 4.37Å; L91-I93 HydrophobicContact CD2-CG1 4.42Å; L91-I93 HydrophobicContact CG-CG1 4.27Å; L91-Y104 HydrophobicContact CD2-CD1 3.49Å; L91-Y104 VanDerWaalsContact CD2-CD1 3.49Å; L91-Y104 HydrophobicContact CD2-CE1 3.87Å; L91-Y104 HydrophobicContact CD2-CG 4.27Å
92	T	98.6	Very high	97.5	Very high	18 Å²	18	53.3 Å²	53.3	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.8	174.2	-60.7	0	0	0	0	109.9	T36 A37 R38 F80 S81	T36-T92 HydrophobicContact CG2-CG2 3.66Å; A37-T92 WeakPolarHBondContact O-CA 3.38Å; R38-T92 HydrophobicContact CG-CG2 4.36Å; F80-T92 CarbonylContact C-O 3.51Å; F80-T92 WeakPolarHBondContact CA-O 3.42Å; S81-T92 PolarHBondContact N-O 2.81Å; S81-T92 PolarHBondContact O-N 2.75Å; S81-T92 PolarHBondContact OG-O 2.9Å
93	I	98.6	Very high	97.5	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	103.3	174.2	-46.1	174.8	0	0	0	107.3	T36 A37 R79 F80 L91 V96 Y104	T36-I93 CarbonylContact C-O 3.6Å; T36-I93 WeakPolarHBondContact CA-O 3.38Å; A37-I93 HydrophobicContact CB-CB 4.43Å; A37-I93 PolarHBondContact N-O 3.27Å; A37-I93 PolarHBondContact O-N 2.89Å; R79-I93 HydrophobicContact CG-CG2 4.17Å; F80-I93 HydrophobicContact CD1-CB 4.5Å; F80-I93 HydrophobicContact CD1-CD1 4.04Å; F80-I93 HydrophobicContact CD1-CG1 3.68Å; F80-I93 HydrophobicContact CD1-CG2 4.29Å; F80-I93 HydrophobicContact CD2-CG2 4.41Å; F80-I93 HydrophobicContact CE1-CB 4.4Å; F80-I93 HydrophobicContact CE1-CD1 3.43Å; F80-I93 VanDerWaalsContact CE1-CD1 3.43Å; F80-I93 HydrophobicContact CE1-CG1 3.59Å; F80-I93 HydrophobicContact CE1-CG2 3.97Å; F80-I93 HydrophobicContact CE2-CG2 4.1Å; F80-I93 HydrophobicContact CG-CG1 4.49Å; F80-I93 HydrophobicContact CG-CG2 4.49Å; F80-I93 HydrophobicContact CZ-CD1 4.1Å; F80-I93 HydrophobicContact CZ-CG1 4.33Å; F80-I93 HydrophobicContact CZ-CG2 3.86Å; L91-I93 HydrophobicContact CD2-CD1 4.37Å; L91-I93 HydrophobicContact CD2-CG1 4.42Å; L91-I93 HydrophobicContact CG-CG1 4.27Å; I93-V96 HydrophobicContact CB-CG2 4.08Å; I93-V96 HydrophobicContact CG2-CG2 3.96Å; I93-V96 WeakPolarHBondContact O-CG2 3.46Å; I93-Y104 HydrophobicContact CD1-CE1 3.92Å; I93-Y104 HydrophobicContact CD1-CE2 4.27Å; I93-Y104 WeakPolarHBondContact CD1-OH 3.34Å
94	S	98.5	Very high	97.5	Very high	35 Å²	35	55.9 Å²	55.9	25%	0.245	31%	0.312	C	S	.	.	S	Bend	trans	-77.5	152.6	174.4	64.6	0	0	0	0	110.8	R79 V96	R79-S94 WeakPolarHBondContact CA-OG 3.26Å; R79-S94 VanDerWaalsContact CB-O 3.26Å; R79-S94 WeakPolarHBondContact CB-O 3.39Å; R79-S94 WeakPolarHBondContact CD-O 3.38Å; R79-S94 PolarHBondContact O-N 3.04Å; R79-S94 PolarHBondContact O-OG 3.4Å; R79-S94 VanDerWaalsContact O-OG 3.09Å; S94-V96 VanDerWaalsContact C-N 3.31Å; S94-V96 PolarHBondContact O-N 2.91Å
95	R	98.3	Very high	97.5	Very high	156 Å²	156	58.1 Å²	58.1	59%	0.589	32%	0.316	S	S	*	.	S	Bend	trans	48.2	51.5	174.9	-63.1	175.6	-77.3	124.7	-5.4	112.7	Q35 L97	Q35-R95 WeakPolarHBondContact O-CA 3.49Å; Q35-R95 PolarHBondContact O-N 3.08Å; Q35-R95 VanDerWaalsContact O-N 3.14Å; R95-L97 PolarHBondContact O-N 3.21Å
96	V	98.4	Very high	97.6	Very high	19 Å²	19	54 Å²	54	12%	0.115	29%	0.287	C	S	.	.			trans	-50.3	134.1	-175.6	170.8	0	0	0	0	111.2	V31 P33 G34 Q35 A37 I93 S94 D100	V31-V96 HydrophobicContact CG2-CB 4.01Å; V31-V96 HydrophobicContact CG2-CG1 4.03Å; V31-V96 HydrophobicContact CG2-CG2 3.82Å; P33-V96 CarbonylContact C-O 3.54Å; P33-V96 WeakPolarHBondContact CA-O 2.93Å; G34-V96 PolarHBondContact N-O 3.3Å; Q35-V96 WeakPolarHBondContact O-CG2 3.04Å; Q35-V96 PolarHBondContact O-N 3.45Å; A37-V96 HydrophobicContact CB-CG2 3.79Å; I93-V96 HydrophobicContact CB-CG2 4.08Å; I93-V96 HydrophobicContact CG2-CG2 3.96Å; I93-V96 WeakPolarHBondContact O-CG2 3.46Å; S94-V96 VanDerWaalsContact C-N 3.31Å; S94-V96 PolarHBondContact O-N 2.91Å; V96-D100 HydrophobicContact CG1-CB 4.25Å
97	L	97.8	Very high	97.6	Very high	78 Å²	78	55.7 Å²	55.7	41%	0.408	28%	0.284	S	S	.	.			trans	-109.3	162.1	176.1	-58.6	-178.3	0	0	0	110.4	R95 E99 D100	R95-L97 PolarHBondContact O-N 3.21Å; L97-E99 HydrophobicContact CB-CG 3.75Å; L97-E99 HydrophobicContact CD1-CG 4.22Å; L97-E99 WeakPolarHBondContact CD1-OE1 3.29Å; L97-E99 PolarHBondContact O-N 3.21Å; L97-D100 PolarHBondContact N-OD2 3.19Å; L97-D100 WeakPolarHBondContact O-CB 3.34Å; L97-D100 PolarHBondContact O-N 3.06Å
98	T	96	Very high	97.5	Very high	111 Å²	111	53.8 Å²	53.8	68%	0.681	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-59.3	-29.5	175.1	-52	0	0	0	0	112.4	D100 E101	T98-D100 PolarHBondContact O-N 3.29Å; T98-E101 PolarHBondContact O-N 3.33Å
99	E	96	Very high	97	Very high	106 Å²	106	52.5 Å²	52.5	50%	0.495	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-70.2	-10.4	176.4	62.5	175.8	-161.4	0	0	114.8	K57 R79 L97 E101	K57-E99 VanDerWaalsContact CE-O 3.25Å; K57-E99 WeakPolarHBondContact CE-O 3.32Å; K57-E99 PolarHBondContact NZ-O 2.8Å; R79-E99 IonicContact CZ-OE1 2.99Å; R79-E99 IonicContact NH1-OE1 3.22Å; R79-E99 PolarHBondContact NH1-OE1 3.27Å; R79-E99 IonicContact NH2-OE1 3.34Å; R79-E99 PolarHBondContact NH2-OE1 3.15Å; L97-E99 HydrophobicContact CB-CG 3.75Å; L97-E99 HydrophobicContact CD1-CG 4.22Å; L97-E99 WeakPolarHBondContact CD1-OE1 3.29Å; L97-E99 PolarHBondContact O-N 3.21Å; E99-E101 VanDerWaalsContact C-N 3.32Å
100	D	97.5	Very high	96.2	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-86.8	-2.8	178.1	-60.4	-34.5	0	0	0	112.3	R79 F80 V96 L97 T98 A102 Y104	R79-D100 IonicContact CZ-OD1 3.46Å; R79-D100 IonicContact CZ-OD2 2.7Å; R79-D100 IonicContact NE-OD1 3.71Å; R79-D100 PolarHBondContact NE-OD1 3.19Å; R79-D100 IonicContact NE-OD2 3.45Å; R79-D100 PolarHBondContact NE-OD2 3.44Å; R79-D100 IonicContact NH2-OD1 2.66Å; R79-D100 PolarHBondContact NH2-OD1 3.19Å; R79-D100 IonicContact NH2-OD2 3.7Å; F80-D100 VanDerWaalsContact CZ-OD1 3.3Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.34Å; V96-D100 HydrophobicContact CG1-CB 4.25Å; L97-D100 PolarHBondContact N-OD2 3.19Å; L97-D100 WeakPolarHBondContact O-CB 3.34Å; L97-D100 PolarHBondContact O-N 3.06Å; T98-D100 PolarHBondContact O-N 3.29Å; D100-A102 PolarHBondContact O-N 3.04Å; D100-Y104 WeakPolarHBondContact O-CE2 3.41Å; D100-Y104 PolarHBondContact O-OH 3.37Å
101	E	97.5	Very high	95.1	Very high	158 Å²	158	60.8 Å²	60.8	74%	0.738	31%	0.311	S	S	*	.			trans	-67.7	110.6	173.5	-171.8	175.5	171	0	0	110.1	T98 E99	T98-E101 PolarHBondContact O-N 3.33Å; E99-E101 VanDerWaalsContact C-N 3.32Å
102	A	98	Very high	93.8	Very high	24 Å²	24	68.6 Å²	68.6	20%	0.198	35%	0.353	C	S	.	.	S	Bend	trans	-164.6	165.2	-173.9	0	0	0	0	0	110.1	Q55 Q56 K57 D100 Y104	Q55-A102 HydrophobicContact CG-CB 3.46Å; Q55-A102 VanDerWaalsContact CG-CB 3.46Å; Q56-A102 WeakPolarHBondContact O-CB 3.23Å; K57-A102 HydrophobicContact CG-CB 4.09Å; D100-A102 PolarHBondContact O-N 3.04Å; A102-Y104 HydrophobicContact CB-CD2 4.45Å; A102-Y104 HydrophobicContact CB-CE2 3.88Å; A102-Y104 VanDerWaalsContact O-CD2 3.32Å; A102-Y104 WeakPolarHBondContact O-CD2 3.43Å; A102-Y104 WeakPolarHBondContact O-CE2 3.38Å
103	D	98.1	Very high	92.2	Very high	96 Å²	96	73.6 Å²	73.6	51%	0.513	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	138.7	162	-64.4	-47.2	0	0	0	109	Q56 Y105	Q56-D103 HydrophobicContact CB-CB 4.39Å; Q56-D103 PolarHBondContact N-O 2.93Å; Q56-D103 PolarHBondContact O-N 2.81Å; D103-Y105 HydrophobicContact CB-CE2 3.71Å; D103-Y105 WeakPolarHBondContact CB-OH 3.17Å
104	Y	98.2	Very high	90.4	Very high	27 Å²	27	76 Å²	76	11%	0.106	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.6	179.1	-67.8	-91.8	0	0	0	110.2	Q25 I39 Y54 Q55 F80 L91 I93 D100 A102	Q25-Y104 PolarHBondContact NE2-O 3.23Å; I39-Y104 HydrophobicContact CD1-CD1 4.29Å; I39-Y104 HydrophobicContact CD1-CD2 3.51Å; I39-Y104 HydrophobicContact CD1-CE2 4.12Å; I39-Y104 HydrophobicContact CD1-CG 3.59Å; Y54-Y104 WeakPolarHBondContact O-CA 3.5Å; Q55-Y104 HydrophobicContact CB-CD1 4.13Å; Q55-Y104 HydrophobicContact CB-CE1 3.87Å; Q55-Y104 HydrophobicContact CG-CD1 4.4Å; Q55-Y104 HydrophobicContact CG-CE1 3.84Å; Q55-Y104 PolarHBondContact NE2-OH 3.35Å; F80-Y104 HydrophobicContact CE1-CE1 4.04Å; L91-Y104 HydrophobicContact CD2-CD1 3.49Å; L91-Y104 VanDerWaalsContact CD2-CD1 3.49Å; L91-Y104 HydrophobicContact CD2-CE1 3.87Å; L91-Y104 HydrophobicContact CD2-CG 4.27Å; I93-Y104 HydrophobicContact CD1-CE1 3.92Å; I93-Y104 HydrophobicContact CD1-CE2 4.27Å; I93-Y104 WeakPolarHBondContact CD1-OH 3.34Å; D100-Y104 WeakPolarHBondContact O-CE2 3.41Å; D100-Y104 PolarHBondContact O-OH 3.37Å; A102-Y104 HydrophobicContact CB-CD2 4.45Å; A102-Y104 HydrophobicContact CB-CE2 3.88Å; A102-Y104 VanDerWaalsContact O-CD2 3.32Å; A102-Y104 WeakPolarHBondContact O-CD2 3.43Å; A102-Y104 WeakPolarHBondContact O-CE2 3.38Å
105	Y	97.3	Very high	88.5	Confident	92 Å²	92	79.5 Å²	79.5	36%	0.361	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.6	-176.4	-54.7	-76.7	0	0	0	110.4	W53 Y54 Q56 D103	W53-Y105 CarbonylContact C-O 3.23Å; W53-Y105 WeakPolarHBondContact CA-O 3.33Å; Y54-Y105 PolarHBondContact N-O 3.22Å; Y54-Y105 PolarHBondContact O-N 2.92Å; Q56-Y105 HydrophobicContact CB-CD2 4.44Å; Q56-Y105 HydrophobicContact CB-CE2 3.83Å; Q56-Y105 PolarHBondContact OE1-OH 3.49Å; D103-Y105 HydrophobicContact CB-CE2 3.71Å; D103-Y105 WeakPolarHBondContact CB-OH 3.17Å
106	C	96.8	Very high	88	Confident	15 Å²	15	75.7 Å²	75.7	10%	0.101	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	147.3	165	56.6	0	0	0	0	110.3	L23 C41 D52 W53 T89	L23-C106 HydrophobicContact CD1-CB 4.49Å; C41-C106 HydrophobicContact CB-CB 3.37Å; C41-C106 WeakPolarHBondContact CB-SG 3.42Å; C41-C106 WeakPolarHBondContact SG-CB 3.4Å; C41-C106 CovalentContact SG-SG 2.01Å; C41-C106 PolarHBondContact SG-SG 3.38Å; D52-C106 CarbonylContact O-C 3.59Å; D52-C106 VanDerWaalsContact O-CA 3.26Å; D52-C106 WeakPolarHBondContact O-CA 3.44Å; W53-C106 HydrophobicContact CD2-CB 4.47Å; W53-C106 HydrophobicContact CE3-CB 4.38Å; W53-C106 HydrophobicContact CH2-CB 4.35Å; W53-C106 HydrophobicContact CZ2-CB 4.44Å; W53-C106 HydrophobicContact CZ3-CB 4.32Å; T89-C106 HydrophobicContact CG2-CB 4.23Å
107	L	95	Very high	87.4	Confident	86 Å²	86	78.6 Å²	78.6	45%	0.45	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.8	169.4	-172.1	69.9	0	0	0	108.7	A51 D52 Y54	A51-L107 WeakPolarHBondContact CA-O 3.3Å; D52-L107 HydrophobicContact CB-CB 4.45Å; D52-L107 PolarHBondContact N-O 3.04Å; D52-L107 PolarHBondContact O-N 3.16Å; Y54-L107 HydrophobicContact CD2-CB 4.43Å; Y54-L107 HydrophobicContact CE2-CB 4.04Å; Y54-L107 HydrophobicContact CE2-CD2 4.08Å
108	S	93.8	Very high	86.8	Confident	28 Å²	28	78.7 Å²	78.7	20%	0.196	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130	168.1	179.8	0	0	0	0	109.2	N49 Y50	N49-S108 WeakPolarHBondContact CB-OG 3.47Å; N49-S108 PolarHBondContact ND2-OG 3.29Å; Y50-S108 CarbonylContact O-C 3.51Å; Y50-S108 WeakPolarHBondContact O-CA 3.45Å
109	G	87.2	Confident	86.3	Confident	17 Å²	17	76.8 Å²	76.8	18%	0.175	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.8	173.9	0	0	0	0	0	110.9	N49 Y50 E111	N49-G109 VanDerWaalsContact CB-O 3.23Å; N49-G109 WeakPolarHBondContact CB-O 3.22Å; Y50-G109 PolarHBondContact N-O 3.22Å; Y50-G109 PolarHBondContact O-N 3.36Å; G109-E111 PolarHBondContact O-N 3.15Å
110	D	80.8	Confident	85.7	Confident	103 Å²	103	74.9 Å²	74.9	55%	0.551	41%	0.408	S	S	*	.			trans	-64.9	132	-178.3	-66.9	-25.2	0	0	0	111	N49 D112 N113	N49-D110 PolarHBondContact ND2-OD1 3.21Å; D110-D112 PolarHBondContact O-N 3.42Å; D110-N113 CarbonylContact O-C 3.52Å; D110-N113 VanDerWaalsContact O-C 3.23Å; D110-N113 PolarHBondContact O-N 3.41Å; D110-N113 VanDerWaalsContact O-N 3.08Å
111	E	75.3	Confident	84.9	Confident	96 Å²	96	79.5 Å²	79.5	45%	0.449	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32	177.6	-81	-179.6	-172.9	0	0	112.9	Y50 G109 N113	Y50-E111 HydrophobicContact CD1-CG 4.19Å; Y50-E111 HydrophobicContact CD2-CB 4.3Å; Y50-E111 HydrophobicContact CD2-CG 3.98Å; Y50-E111 HydrophobicContact CE1-CG 4.09Å; Y50-E111 HydrophobicContact CE2-CB 4.02Å; Y50-E111 HydrophobicContact CE2-CG 3.88Å; Y50-E111 HydrophobicContact CG-CG 4.12Å; G109-E111 PolarHBondContact O-N 3.15Å; E111-N113 VanDerWaalsContact C-N 3.26Å; E111-N113 PolarHBondContact O-N 3.4Å
112	D	71.9	Confident	84	Confident	165 Å²	165	73.9 Å²	73.9	88%	0.882	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.1	-179.2	-71.6	-39.9	0	0	0	113.4	D110	D110-D112 PolarHBondContact O-N 3.42Å
113	N	66	Low	82.9	Confident	123 Å²	123	77.7 Å²	77.7	66%	0.658	43%	0.427	S	S	*	.	S	Bend	trans	-146.3	76.5	178.6	-173.7	74	0	0	0	110.3	D110 E111	D110-N113 CarbonylContact O-C 3.52Å; D110-N113 VanDerWaalsContact O-C 3.23Å; D110-N113 PolarHBondContact O-N 3.41Å; D110-N113 VanDerWaalsContact O-N 3.08Å; E111-N113 VanDerWaalsContact C-N 3.26Å; E111-N113 PolarHBondContact O-N 3.4Å
114	P	60.8	Low	81.7	Confident	55 Å²	55	76.2 Å²	76.2	36%	0.357	42%	0.42	S	S	.	.			trans	-58.2	146.9	176.1	22	-30.7	0	0	0	111.5	Y50 E68	Y50-P114 HydrophobicContact CD2-CB 4.42Å; Y50-P114 HydrophobicContact CE2-CB 4.46Å; E68-P114 HydrophobicContact CG-CB 3.71Å; E68-P114 WeakPolarHBondContact OE1-CB 3.23Å
115	S	57	Low	80.2	Confident	107 Å²	107	80.6 Å²	80.6	75%	0.748	45%	0.448	S	S	*	.			trans	-70.9	0	-172.9	49.5	0	0	0	0	114.8	D52	D52-S115 PolarHBondContact OD2-OG 3.42Å

Retrieved 115 of 115 residues in 86.1 ms (Link to these results)

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