LV312_HUMAN Loading...

Immunoglobulin lambda variable 3-12

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 A0A075B6K2, Species HUMAN (Homo sapiens, Human), Gene IGLV3-12, Length 115 aa.

						>LV312_HUMAN|A0A075B6K2|IGLV3-12
MAWTPLLLSLLAHCTGSATSYELTQPHSVSVATAQMARITCGGNNIGSKAVHWYQQKPGQDPVLVIYSDSNRPSGIPERFSGSNPGNTATLTISRIEAGDEADYYCQVWDSSSDH
					

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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	48.8	Very low	57.7	Low	244 Å²	244	154 Å²	154	100%	1.202	83%	0.831	S	S	*	*				0	137.3	0	-71.8	178.7	-161.4	0	0	107.7
2	A	56.1	Low	58.2	Low	92 Å²	92	148.8 Å²	148.8	76%	0.76	83%	0.825	S	S	*	*			trans	62.7	133.6	-176.8	0	0	0	0	0	116.4
3	W	54.7	Low	58.4	Low	252 Å²	252	148 Å²	148	96%	0.955	81%	0.811	S	S	*	*			cis	-159.7	157.1	-27.3	-111.2	-22.3	0	0	0	106.8
4	T	59.2	Low	58.6	Low	127 Å²	127	147.2 Å²	147.2	78%	0.779	82%	0.819	S	S	*	*			trans	-70.1	157	-156.1	2	0	0	0	0	116
5	P	54.9	Low	59.2	Low	113 Å²	113	145.7 Å²	145.7	73%	0.734	82%	0.816	S	S	*	*			trans	-86.6	150.1	-179.1	35.6	-27.2	0	0	0	111.4
6	L	58.3	Low	59.3	Low	154 Å²	154	141.1 Å²	141.1	81%	0.806	81%	0.81	S	S	*	*			trans	-128.9	79.2	176.9	-125.9	126.2	0	0	0	110.5	L8	L6-L8 HydrophobicContact CD2-CD1 3.79Å
7	L	58.3	Low	59.9	Low	173 Å²	173	139.6 Å²	139.6	91%	0.906	81%	0.811	S	S	*	*			trans	-82.5	106.4	155.5	-111.2	90.8	0	0	0	106.6
8	L	61.7	Low	60.3	Low	146 Å²	146	137.5 Å²	137.5	76%	0.764	81%	0.812	S	S	*	*			trans	-100.7	103	168.2	-132	81.3	0	0	0	108.2	L6 L10	L6-L8 HydrophobicContact CD2-CD1 3.79Å; L8-L10 PolarHBondContact O-N 3.15Å
9	S	59.1	Low	60.8	Low	102 Å²	102	137.4 Å²	137.4	71%	0.713	81%	0.813	S	S	*	*			trans	-67.6	111.2	172.7	30.4	0	0	0	0	110	L11	S9-L11 PolarHBondContact O-N 3.24Å; S9-L11 VanDerWaalsContact O-N 3.11Å
10	L	59	Low	61.8	Low	164 Å²	164	134.8 Å²	134.8	86%	0.859	80%	0.802	S	S	*	*			trans	-81.8	81.6	176.1	-151.3	89.8	0	0	0	109.8	L8 A12	L8-L10 PolarHBondContact O-N 3.15Å; L10-A12 PolarHBondContact O-N 2.96Å
11	L	64.5	Low	62.9	Low	127 Å²	127	132.9 Å²	132.9	67%	0.665	78%	0.782	S	S	*	*			trans	-82.5	91.1	164.1	-83.1	130.6	0	0	0	108.6	S9 H13	S9-L11 PolarHBondContact O-N 3.24Å; S9-L11 VanDerWaalsContact O-N 3.11Å; L11-H13 VanDerWaalsContact CB-CE1 3.42Å; L11-H13 WeakPolarHBondContact CB-CE1 3.36Å; L11-H13 PolarHBondContact O-N 2.96Å; L11-H13 VanDerWaalsContact O-N 3.09Å; L11-H13 PolarHBondContact O-ND1 3.23Å
12	A	63.8	Low	64.9	Low	92 Å²	92	127.7 Å²	127.7	76%	0.76	75%	0.754	S	S	*	*			trans	-69.2	99.2	169	0	0	0	0	0	108.9	L10	L10-A12 PolarHBondContact O-N 2.96Å
13	H	60.5	Low	66.7	Low	138 Å²	138	126 Å²	126	64%	0.639	73%	0.732	S	S	*	*			trans	-85.5	111.8	174.9	-65.7	78.8	0	0	0	108.7	L11 T15	L11-H13 VanDerWaalsContact CB-CE1 3.42Å; L11-H13 WeakPolarHBondContact CB-CE1 3.36Å; L11-H13 PolarHBondContact O-N 2.96Å; L11-H13 VanDerWaalsContact O-N 3.09Å; L11-H13 PolarHBondContact O-ND1 3.23Å; H13-T15 PolarHBondContact O-N 3.15Å
14	C	61.4	Low	68.7	Low	137 Å²	137	118.2 Å²	118.2	93%	0.926	71%	0.713	S	S	*	*			trans	-71.6	83.3	162.8	-78.8	0	0	0	0	109	G16	C14-G16 VanDerWaalsContact C-N 3.27Å; C14-G16 PolarHBondContact O-N 2.87Å; C14-G16 VanDerWaalsContact O-N 3.12Å
15	T	67	Low	70.6	Confident	125 Å²	125	115.1 Å²	115.1	77%	0.767	69%	0.689	S	S	*	*			trans	-81	76.9	166.1	38.2	0	0	0	0	109.3	H13 S17	H13-T15 PolarHBondContact O-N 3.15Å; T15-S17 PolarHBondContact O-N 2.99Å
16	G	62.3	Low	72.6	Confident	71 Å²	71	112.6 Å²	112.6	73%	0.732	67%	0.673	S	S	*	*			trans	-71.6	112.4	164.8	0	0	0	0	0	109.5	C14 A18	C14-G16 VanDerWaalsContact C-N 3.27Å; C14-G16 PolarHBondContact O-N 2.87Å; C14-G16 VanDerWaalsContact O-N 3.12Å; G16-A18 PolarHBondContact O-N 2.89Å
17	S	68.6	Low	74.5	Confident	117 Å²	117	115 Å²	115	82%	0.818	68%	0.68	S	S	*	*			trans	-79.1	100.5	166.2	-75	0	0	0	0	108.9	T15 T19	T15-S17 PolarHBondContact O-N 2.99Å; S17-T19 PolarHBondContact O-N 2.8Å
18	A	66.9	Low	76.3	Confident	101 Å²	101	111.7 Å²	111.7	84%	0.835	67%	0.671	S	S	*	*			trans	-79.9	110.4	163.6	0	0	0	0	0	107.7	G16	G16-A18 PolarHBondContact O-N 2.89Å
19	T	70.5	Confident	78	Confident	136 Å²	136	108 Å²	108	83%	0.834	66%	0.655	S	S	*	*			trans	-86	116	167.6	47.3	0	0	0	0	107.8	S17	S17-T19 PolarHBondContact O-N 2.8Å
20	S	80	Confident	79.8	Confident	84 Å²	84	109.1 Å²	109.1	59%	0.587	66%	0.662	S	S	*	*			trans	-72.8	148.6	170.4	34.9	0	0	0	0	110	E22	S20-E22 PolarHBondContact O-N 3.29Å; S20-E22 PolarHBondContact OG-OE1 3.43Å
21	Y	85.2	Confident	81.6	Confident	96 Å²	96	103.4 Å²	103.4	38%	0.376	63%	0.634	S	S	.	*			trans	-73.1	113.1	166	-175.6	-89.2	0	0	0	108.3	L23 N44 V108	Y21-L23 HydrophobicContact CE1-CD2 3.63Å; Y21-L23 HydrophobicContact CE1-CG 4.08Å; Y21-N44 HydrophobicContact CE2-CB 4.33Å; Y21-N44 WeakPolarHBondContact CE2-O 3.3Å; Y21-N44 PolarHBondContact OH-O 3.1Å; Y21-V108 HydrophobicContact CD1-CG2 4.2Å; Y21-V108 HydrophobicContact CE1-CG2 3.53Å
22	E	90.8	Very high	83.1	Confident	134 Å²	134	100 Å²	100	63%	0.626	63%	0.625	S	S	*	*			trans	-108.3	137.8	-176.9	-61.4	-158.9	160	0	0	112.1	S20	S20-E22 PolarHBondContact O-N 3.29Å; S20-E22 PolarHBondContact OG-OE1 3.43Å
23	L	95	Very high	84.6	Confident	56 Å²	56	100.7 Å²	100.7	29%	0.293	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	143.1	168.2	-64.7	176.9	0	0	0	108.7	Y21 G42 I46 V108	Y21-L23 HydrophobicContact CE1-CD2 3.63Å; Y21-L23 HydrophobicContact CE1-CG 4.08Å; L23-G42 CarbonylContact C-O 3.53Å; L23-G42 WeakPolarHBondContact CA-O 3.31Å; L23-I46 HydrophobicContact CD2-CD1 4Å; L23-V108 HydrophobicContact CD1-CG1 3.9Å; L23-V108 HydrophobicContact CD1-CG2 4.21Å; L23-V108 HydrophobicContact CD2-CG1 3.82Å; L23-V108 HydrophobicContact CD2-CG2 4.41Å; L23-V108 HydrophobicContact CG-CG1 4.47Å
24	T	96.5	Very high	86.3	Confident	90 Å²	90	97.4 Å²	97.4	55%	0.552	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.6	130.4	179.6	53	0	0	0	0	109.8	C41 G42	T24-C41 CarbonylContact O-C 3.54Å; T24-C41 WeakPolarHBondContact O-CA 3.05Å; T24-G42 PolarHBondContact N-O 3.34Å; T24-G42 PolarHBondContact O-N 2.62Å; T24-G42 PolarHBondContact OG1-O 3.14Å
25	Q	97.9	Very high	88.1	Confident	61 Å²	61	96.2 Å²	96.2	29%	0.285	60%	0.597	S	S	.	*			trans	-128.8	154.1	174.9	-68	-175.7	-114.9	0	0	109.2	H27 T40 C41 Y104 C106	Q25-H27 PolarHBondContact O-N 2.89Å; Q25-T40 WeakPolarHBondContact CG-O 3.41Å; Q25-C41 HydrophobicContact CG-CB 4.05Å; Q25-Y104 PolarHBondContact NE2-O 2.65Å; Q25-C106 VanDerWaalsContact CD-SG 3.57Å; Q25-C106 PolarHBondContact OE1-SG 3.29Å
26	P	97.9	Very high	89.6	Confident	60 Å²	60	95.3 Å²	95.3	39%	0.39	59%	0.586	S	S	.	*			trans	-56.9	138	166.2	-20.5	31.9	0	0	0	110.5	S28 V29 T40	P26-S28 PolarHBondContact O-N 2.92Å; P26-V29 HydrophobicContact CB-CG2 4.11Å; P26-V29 HydrophobicContact CG-CG2 4.44Å; P26-T40 VanDerWaalsContact CD-O 3.24Å; P26-T40 WeakPolarHBondContact CD-O 3.47Å
27	H	96.9	Very high	91.2	Very high	204 Å²	204	92.2 Å²	92.2	94%	0.944	55%	0.553	S	S	*	*	S	Bend	trans	-62.3	-31.9	179	-75.4	-72.1	0	0	0	113.4	Q25	Q25-H27 PolarHBondContact O-N 2.89Å
28	S	97.3	Very high	92.6	Very high	105 Å²	105	93.3 Å²	93.3	73%	0.734	54%	0.539	S	S	*	.			trans	-156.2	153.8	174.1	63	0	0	0	0	110.4	P26	P26-S28 PolarHBondContact O-N 2.92Å
29	V	97.1	Very high	94.1	Very high	69 Å²	69	89.3 Å²	89.3	42%	0.418	50%	0.504	S	S	.	.			trans	-134.2	125.8	173	-178.7	0	0	0	0	106.9	P26 V31 I39	P26-V29 HydrophobicContact CB-CG2 4.11Å; P26-V29 HydrophobicContact CG-CG2 4.44Å; V29-V31 HydrophobicContact CG1-CG2 3.91Å; V29-I39 HydrophobicContact CG2-CG1 4.39Å
30	S	96.6	Very high	95.5	Very high	124 Å²	124	85.4 Å²	85.4	87%	0.867	48%	0.48	S	S	*	.			trans	-119.4	127.3	177.8	-170.5	0	0	0	0	109.4
31	V	96.7	Very high	96.3	Very high	44 Å²	44	81.4 Å²	81.4	27%	0.267	45%	0.452	S	S	.	.			trans	-140.4	140	-173.2	179.3	0	0	0	0	108.2	V29 Q35 A37 I96	V29-V31 HydrophobicContact CG1-CG2 3.91Å; V31-Q35 HydrophobicContact CG1-CB 3.63Å; V31-A37 HydrophobicContact CB-CB 4.26Å; V31-A37 HydrophobicContact CG1-CB 4.37Å; V31-A37 HydrophobicContact CG2-CB 3.81Å; V31-I96 HydrophobicContact CB-CG1 4.38Å; V31-I96 HydrophobicContact CG1-CG1 4.15Å
32	A	96.5	Very high	96.9	Very high	56 Å²	56	77.5 Å²	77.5	46%	0.463	44%	0.44	S	S	.	.			trans	-71.1	152.7	178.6	0	0	0	0	0	111.4	Q35	A32-Q35 HydrophobicContact CB-CG 4.25Å; A32-Q35 WeakPolarHBondContact O-CB 3.5Å; A32-Q35 PolarHBondContact O-N 3.1Å; A32-Q35 VanDerWaalsContact O-N 3.15Å
33	T	95.6	Very high	97	Very high	106 Å²	106	71.8 Å²	71.8	65%	0.65	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	144	174.5	-46.2	0	0	0	0	111	Q35 I96	T33-Q35 PolarHBondContact O-N 3.31Å; T33-I96 WeakPolarHBondContact CG2-O 3.28Å
34	A	96.4	Very high	96.8	Very high	70 Å²	70	75.1 Å²	75.1	58%	0.579	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	2.7	-176.3	0	0	0	0	0	116.6	R95 I96	A34-R95 HydrophobicContact CB-CG 4.42Å; A34-I96 PolarHBondContact N-O 3.2Å
35	Q	97.7	Very high	96.5	Very high	111 Å²	111	75 Å²	75	52%	0.519	43%	0.431	S	S	.	.	S	Bend	trans	-92.1	168.3	169.5	-62.9	-174.8	-31.1	0	0	111.8	V31 A32 T33 R95 I96	V31-Q35 HydrophobicContact CG1-CB 3.63Å; A32-Q35 HydrophobicContact CB-CG 4.25Å; A32-Q35 WeakPolarHBondContact O-CB 3.5Å; A32-Q35 PolarHBondContact O-N 3.1Å; A32-Q35 VanDerWaalsContact O-N 3.15Å; T33-Q35 PolarHBondContact O-N 3.31Å; Q35-R95 WeakPolarHBondContact O-CA 3.37Å; Q35-I96 PolarHBondContact O-N 2.95Å
36	M	98.2	Very high	96.3	Very high	107 Å²	107	72 Å²	72	53%	0.527	42%	0.418	S	S	.	.			trans	-86.4	132	174.3	178.4	-176.3	-64.1	0	0	110.4	T92 I93	M36-T92 HydrophobicContact CG-CG2 3.97Å; M36-T92 HydrophobicContact SD-CG2 3.91Å; M36-I93 CarbonylContact C-O 3.59Å; M36-I93 VanDerWaalsContact CA-O 3.31Å; M36-I93 WeakPolarHBondContact CA-O 2.98Å
37	A	97.8	Very high	96.1	Very high	6 Å²	6	71.1 Å²	71.1	5%	0.05	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	148.2	169.2	0	0	0	0	0	111.4	V31 T92 I93 I96	V31-A37 HydrophobicContact CB-CB 4.26Å; V31-A37 HydrophobicContact CG1-CB 4.37Å; V31-A37 HydrophobicContact CG2-CB 3.81Å; A37-T92 WeakPolarHBondContact O-CA 3.44Å; A37-I93 HydrophobicContact CB-CB 4.44Å; A37-I93 PolarHBondContact N-O 3.09Å; A37-I93 PolarHBondContact O-N 3.39Å; A37-I96 HydrophobicContact CB-CD1 3.63Å; A37-I96 HydrophobicContact CB-CG1 3.74Å
38	R	98	Very high	95.9	Very high	139 Å²	139	63.9 Å²	63.9	53%	0.525	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.1	170.5	-60.5	-179.2	85.3	102.6	0.7	108.9	T90 L91	R38-T90 HydrophobicContact CB-CG2 4.08Å; R38-T90 HydrophobicContact CG-CG2 4.46Å; R38-L91 CarbonylContact C-O 3.52Å; R38-L91 WeakPolarHBondContact CA-O 3.23Å
39	I	98.3	Very high	95.7	Very high	18 Å²	18	61.1 Å²	61.1	9%	0.092	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.8	174.9	-56.7	169.5	0	0	0	106.8	V29 W53 T90 L91 Y104	V29-I39 HydrophobicContact CG2-CG1 4.39Å; I39-W53 HydrophobicContact CB-CH2 4.36Å; I39-W53 HydrophobicContact CB-CZ3 4.23Å; I39-W53 HydrophobicContact CG2-CH2 4Å; I39-W53 HydrophobicContact CG2-CZ3 3.72Å; I39-W53 WeakPolarHBondContact O-CH2 3.32Å; I39-T90 CarbonylContact O-C 3.55Å; I39-T90 VanDerWaalsContact O-CA 3.31Å; I39-T90 WeakPolarHBondContact O-CA 3.42Å; I39-L91 HydrophobicContact CB-CB 4.41Å; I39-L91 HydrophobicContact CD1-CD2 4.4Å; I39-L91 PolarHBondContact N-O 2.86Å; I39-L91 PolarHBondContact O-N 2.85Å; I39-Y104 HydrophobicContact CD1-CD1 4.16Å; I39-Y104 HydrophobicContact CD1-CD2 3.57Å; I39-Y104 HydrophobicContact CD1-CE2 4.13Å; I39-Y104 HydrophobicContact CD1-CG 3.57Å
40	T	98.3	Very high	95.6	Very high	54 Å²	54	58 Å²	58	33%	0.331	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.4	-177.1	53.9	0	0	0	0	111.5	Q25 P26 T88 A89	Q25-T40 WeakPolarHBondContact CG-O 3.41Å; P26-T40 VanDerWaalsContact CD-O 3.24Å; P26-T40 WeakPolarHBondContact CD-O 3.47Å; T40-T88 HydrophobicContact CG2-CG2 4.07Å; T40-A89 CarbonylContact C-O 3.5Å; T40-A89 VanDerWaalsContact CA-O 3.3Å; T40-A89 WeakPolarHBondContact CA-O 3.26Å
41	C	98	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	110.6	173.6	174.5	0	0	0	0	108.8	T24 Q25 W53 T88 A89 C106	T24-C41 CarbonylContact O-C 3.54Å; T24-C41 WeakPolarHBondContact O-CA 3.05Å; Q25-C41 HydrophobicContact CG-CB 4.05Å; C41-W53 HydrophobicContact CB-CH2 3.7Å; C41-W53 HydrophobicContact CB-CZ2 3.91Å; C41-T88 WeakPolarHBondContact O-CA 3.29Å; C41-A89 HydrophobicContact CB-CB 4.29Å; C41-A89 PolarHBondContact N-O 2.89Å; C41-A89 PolarHBondContact O-N 2.92Å; C41-C106 HydrophobicContact CB-CB 3.43Å; C41-C106 VanDerWaalsContact CB-CB 3.43Å; C41-C106 WeakPolarHBondContact CB-SG 3.31Å; C41-C106 WeakPolarHBondContact SG-CB 3.4Å; C41-C106 CovalentContact SG-SG 2.02Å; C41-C106 PolarHBondContact SG-SG 2.69Å
42	G	97	Very high	95.6	Very high	13 Å²	13	51.1 Å²	51.1	13%	0.134	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.7	178.6	0	0	0	0	0	111.2	L23 T24	L23-G42 CarbonylContact C-O 3.53Å; L23-G42 WeakPolarHBondContact CA-O 3.31Å; T24-G42 PolarHBondContact N-O 3.34Å; T24-G42 PolarHBondContact O-N 2.62Å; T24-G42 PolarHBondContact OG1-O 3.14Å
43	G	93.5	Very high	95.7	Very high	14 Å²	14	48.5 Å²	48.5	14%	0.144	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	156.1	176.8	0	0	0	0	0	111	N45 I46	G43-N45 PolarHBondContact O-N 2.93Å; G43-I46 WeakPolarHBondContact O-CG2 3.48Å
44	N	90.1	Very high	95.8	Very high	127 Å²	127	46.5 Å²	46.5	68%	0.679	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	126.3	174.9	-173.3	18.5	0	0	0	109.6	Y21 I46	Y21-N44 HydrophobicContact CE2-CB 4.33Å; Y21-N44 WeakPolarHBondContact CE2-O 3.3Å; Y21-N44 PolarHBondContact OH-O 3.1Å; N44-I46 PolarHBondContact O-N 2.82Å; N44-I46 VanDerWaalsContact O-N 3.09Å
45	N	90.7	Very high	95.9	Very high	86 Å²	86	44.3 Å²	44.3	46%	0.46	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	32.8	178	-164.1	41.1	0	0	0	113.9	G43 G47 S48 N87	G43-N45 PolarHBondContact O-N 2.93Å; N45-G47 VanDerWaalsContact C-N 3.27Å; N45-G47 PolarHBondContact O-N 2.75Å; N45-S48 PolarHBondContact ND2-OG 2.86Å; N45-S48 PolarHBondContact O-N 2.89Å; N45-S48 PolarHBondContact O-OG 2.68Å; N45-N87 WeakPolarHBondContact CA-OD1 3.4Å; N45-N87 PolarHBondContact N-OD1 3.32Å
46	I	93.9	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-65.3	-28.7	-179.5	-177.4	167.1	0	0	0	112.4	L23 G43 N44 S48 K49 V51 N84 N87 A89 V108	L23-I46 HydrophobicContact CD2-CD1 4Å; G43-I46 WeakPolarHBondContact O-CG2 3.48Å; N44-I46 PolarHBondContact O-N 2.82Å; N44-I46 VanDerWaalsContact O-N 3.09Å; I46-S48 PolarHBondContact O-N 2.88Å; I46-S48 VanDerWaalsContact O-N 3.16Å; I46-K49 WeakPolarHBondContact O-CB 3.43Å; I46-K49 PolarHBondContact O-N 3.18Å; I46-V51 HydrophobicContact CD1-CG2 3.87Å; I46-V51 HydrophobicContact CG1-CG2 3.72Å; I46-N84 PolarHBondContact O-ND2 3.23Å; I46-N87 VanDerWaalsContact CG2-CA 3.45Å; I46-N87 HydrophobicContact CG2-CB 4.38Å; I46-N87 VanDerWaalsContact CG2-O 3.26Å; I46-N87 WeakPolarHBondContact CG2-O 3.43Å; I46-A89 HydrophobicContact CD1-CB 3.96Å; I46-V108 HydrophobicContact CD1-CG1 3.52Å; I46-V108 HydrophobicContact CG1-CG1 3.61Å
47	G	93.2	Very high	95.9	Very high	40 Å²	40	39.7 Å²	39.7	41%	0.412	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-68	-10.3	177.8	0	0	0	0	0	115	N45 G86	N45-G47 VanDerWaalsContact C-N 3.27Å; N45-G47 PolarHBondContact O-N 2.75Å; G47-G86 WeakPolarHBondContact CA-O 3.39Å; G47-G86 PolarHBondContact N-O 3.33Å
48	S	92.3	Very high	95.9	Very high	53 Å²	53	45 Å²	45	37%	0.371	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-98.7	12.1	170.9	87.9	0	0	0	0	112.6	N45 I46 S111	N45-S48 PolarHBondContact ND2-OG 2.86Å; N45-S48 PolarHBondContact O-N 2.89Å; N45-S48 PolarHBondContact O-OG 2.68Å; I46-S48 PolarHBondContact O-N 2.88Å; I46-S48 VanDerWaalsContact O-N 3.16Å; S48-S111 PolarHBondContact O-OG 2.89Å
49	K	93.1	Very high	95.9	Very high	47 Å²	47	42.8 Å²	42.8	20%	0.204	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151	-178	-64.3	-171.3	-179.2	-168.5	0	109.1	I46 N84 V108 W109	I46-K49 WeakPolarHBondContact O-CB 3.43Å; I46-K49 PolarHBondContact O-N 3.18Å; K49-N84 PolarHBondContact O-ND2 2.92Å; K49-V108 HydrophobicContact CB-CB 4.15Å; K49-V108 HydrophobicContact CD-CB 3.82Å; K49-V108 HydrophobicContact CD-CG2 3.73Å; K49-W109 CarbonylContact C-O 3.56Å; K49-W109 WeakPolarHBondContact CA-O 3.12Å; K49-W109 VanDerWaalsContact CB-O 3.23Å; K49-W109 WeakPolarHBondContact CB-O 3.33Å
50	A	94.6	Very high	95.8	Very high	2 Å²	2	47 Å²	47	2%	0.017	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	134.1	168.6	0	0	0	0	0	109.4	V108 W109	A50-V108 CarbonylContact O-C 3.53Å; A50-V108 VanDerWaalsContact O-CA 3.32Å; A50-V108 WeakPolarHBondContact O-CA 3.29Å; A50-W109 PolarHBondContact N-O 3.36Å; A50-W109 PolarHBondContact O-N 3.49Å
51	V	96.5	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.2	176.9	-178.4	0	0	0	0	110.7	I46 S68 D69 N84 A89 C106 Q107 V108	I46-V51 HydrophobicContact CD1-CG2 3.87Å; I46-V51 HydrophobicContact CG1-CG2 3.72Å; V51-S68 PolarHBondContact O-N 3.24Å; V51-D69 WeakPolarHBondContact CB-OD1 3.36Å; V51-D69 PolarHBondContact N-OD1 3.21Å; V51-D69 PolarHBondContact O-N 2.86Å; V51-N84 HydrophobicContact CG2-CB 4.21Å; V51-N84 VanDerWaalsContact CG2-ND2 3.28Å; V51-N84 WeakPolarHBondContact CG2-ND2 3.34Å; V51-A89 HydrophobicContact CB-CB 4.19Å; V51-A89 HydrophobicContact CG1-CB 3.8Å; V51-A89 HydrophobicContact CG2-CB 3.78Å; V51-C106 HydrophobicContact CG1-CB 4.45Å; V51-Q107 WeakPolarHBondContact CA-O 3.34Å; V51-V108 HydrophobicContact CG2-CG1 4.17Å
52	H	97.4	Very high	95.8	Very high	25 Å²	25	54.2 Å²	54.2	12%	0.116	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	147.1	170	-54	-86.2	0	0	0	109.8	Y54 L64 I66 Y67 C106 Q107	H52-Y54 HydrophobicContact CB-CE2 3.84Å; H52-L64 HydrophobicContact CB-CD1 3.9Å; H52-I66 CarbonylContact C-O 3.56Å; H52-I66 VanDerWaalsContact CA-O 3.29Å; H52-I66 WeakPolarHBondContact CA-O 3.14Å; H52-Y67 VanDerWaalsContact ND1-CA 3.34Å; H52-Y67 WeakPolarHBondContact ND1-CA 3.31Å; H52-Y67 WeakPolarHBondContact ND1-CB 3.3Å; H52-C106 WeakPolarHBondContact O-CA 3.35Å; H52-Q107 HydrophobicContact CB-CB 4.32Å; H52-Q107 PolarHBondContact N-O 3.44Å; H52-Q107 PolarHBondContact O-N 2.95Å
53	W	98.6	Very high	95.9	Very high	1 Å²	1	57 Å²	57	0%	0.004	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.6	173.7	-69.7	90	0	0	0	110	I39 C41 V65 I66 A89 L91 Y105 C106	I39-W53 HydrophobicContact CB-CH2 4.36Å; I39-W53 HydrophobicContact CB-CZ3 4.23Å; I39-W53 HydrophobicContact CG2-CH2 4Å; I39-W53 HydrophobicContact CG2-CZ3 3.72Å; I39-W53 WeakPolarHBondContact O-CH2 3.32Å; C41-W53 HydrophobicContact CB-CH2 3.7Å; C41-W53 HydrophobicContact CB-CZ2 3.91Å; W53-V65 HydrophobicContact CB-CG2 3.74Å; W53-V65 VanDerWaalsContact O-CG2 3.29Å; W53-V65 WeakPolarHBondContact O-CG2 3.3Å; W53-V65 PolarHBondContact O-N 3.31Å; W53-I66 HydrophobicContact CB-CB 4.09Å; W53-I66 HydrophobicContact CG-CB 4.41Å; W53-I66 PolarHBondContact N-O 2.95Å; W53-I66 PolarHBondContact O-N 3.4Å; W53-A89 HydrophobicContact CZ2-CB 4.26Å; W53-L91 HydrophobicContact CB-CD1 4.23Å; W53-L91 HydrophobicContact CB-CD2 4.28Å; W53-L91 HydrophobicContact CD2-CB 3.54Å; W53-L91 HydrophobicContact CD2-CD1 4.47Å; W53-L91 HydrophobicContact CD2-CD2 4.12Å; W53-L91 HydrophobicContact CD2-CG 4.27Å; W53-L91 HydrophobicContact CE3-CB 3.76Å; W53-L91 HydrophobicContact CE3-CD2 3.9Å; W53-L91 HydrophobicContact CE3-CG 4.42Å; W53-L91 HydrophobicContact CG-CB 4.03Å; W53-L91 HydrophobicContact CG-CD1 4.09Å; W53-L91 HydrophobicContact CG-CD2 4.3Å; W53-L91 HydrophobicContact CG-CG 4.38Å; W53-L91 HydrophobicContact CH2-CB 4.04Å; W53-L91 HydrophobicContact CZ2-CB 3.87Å; W53-L91 VanDerWaalsContact CZ2-N 3.33Å; W53-L91 HydrophobicContact CZ3-CB 3.99Å; W53-Y105 WeakPolarHBondContact CA-O 3.02Å; W53-C106 HydrophobicContact CD2-CB 4.36Å; W53-C106 HydrophobicContact CE3-CB 4.18Å; W53-C106 HydrophobicContact CH2-CB 4.14Å; W53-C106 HydrophobicContact CZ2-CB 4.3Å; W53-C106 HydrophobicContact CZ3-CB 4.07Å
54	Y	98.5	Very high	96.1	Very high	64 Å²	64	58.9 Å²	58.9	25%	0.251	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.6	175.6	-62.8	-97.3	0	0	0	110.2	H52 P62 V63 L64 Y104 Y105 Q107	H52-Y54 HydrophobicContact CB-CE2 3.84Å; Y54-P62 HydrophobicContact CD1-CB 4.31Å; Y54-V63 CarbonylContact C-O 3.53Å; Y54-V63 VanDerWaalsContact CA-O 3.23Å; Y54-V63 WeakPolarHBondContact CA-O 3.44Å; Y54-L64 HydrophobicContact CD1-CB 4.15Å; Y54-L64 HydrophobicContact CD1-CD1 4.32Å; Y54-L64 HydrophobicContact CE1-CB 3.93Å; Y54-L64 HydrophobicContact CE1-CD1 3.85Å; Y54-L64 HydrophobicContact CE1-CG 4.48Å; Y54-L64 HydrophobicContact CE2-CD1 4.12Å; Y54-Y104 WeakPolarHBondContact O-CA 3.36Å; Y54-Y105 PolarHBondContact N-O 3.3Å; Y54-Y105 PolarHBondContact O-N 2.73Å; Y54-Q107 HydrophobicContact CE2-CB 3.96Å; Y54-Q107 VanDerWaalsContact CE2-OE1 3.23Å; Y54-Q107 PolarHBondContact OH-OE1 2.62Å
55	Q	98.5	Very high	96.5	Very high	24 Å²	24	52.9 Å²	52.9	11%	0.112	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.6	169.8	-177.7	-172.8	63	0	0	108.5	V63 V65 A102 Y104	Q55-V63 PolarHBondContact N-O 3.49Å; Q55-V63 PolarHBondContact O-N 2.96Å; Q55-V65 HydrophobicContact CB-CG1 3.63Å; Q55-A102 HydrophobicContact CG-CB 3.4Å; Q55-Y104 HydrophobicContact CB-CD1 4.21Å; Q55-Y104 HydrophobicContact CB-CE1 3.91Å; Q55-Y104 HydrophobicContact CG-CD1 4.41Å; Q55-Y104 HydrophobicContact CG-CE1 3.81Å; Q55-Y104 PolarHBondContact NE2-OH 3.25Å
56	Q	98.4	Very high	96.8	Very high	54 Å²	54	48.8 Å²	48.8	25%	0.252	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.5	173.9	-173.1	175.7	20.8	0	0	110.3	Q60 P62 A102 D103 Y105	Q56-Q60 VanDerWaalsContact CG-O 3.31Å; Q56-Q60 WeakPolarHBondContact CG-O 3.37Å; Q56-Q60 PolarHBondContact NE2-O 2.86Å; Q56-P62 HydrophobicContact CB-CB 4.4Å; Q56-P62 HydrophobicContact CB-CG 4.27Å; Q56-P62 HydrophobicContact CG-CG 4.2Å; Q56-A102 WeakPolarHBondContact O-CA 3.46Å; Q56-A102 VanDerWaalsContact O-CB 3.31Å; Q56-A102 WeakPolarHBondContact O-CB 3.43Å; Q56-D103 HydrophobicContact CB-CB 4.42Å; Q56-D103 PolarHBondContact N-O 2.83Å; Q56-D103 PolarHBondContact O-N 2.78Å; Q56-Y105 HydrophobicContact CB-CD2 4.47Å; Q56-Y105 HydrophobicContact CB-CE2 3.91Å
57	K	97.7	Very high	97	Very high	66 Å²	66	53 Å²	53	29%	0.287	31%	0.309	S	S	.	.			trans	-86	156.1	173.8	-68	179.8	177.7	-175.4	0	110.5	G59 Q60 G99 A102	K57-G59 PolarHBondContact O-N 3.24Å; K57-G59 VanDerWaalsContact O-N 3.15Å; K57-Q60 HydrophobicContact CB-CB 4.21Å; K57-Q60 HydrophobicContact CB-CG 4.19Å; K57-Q60 PolarHBondContact O-N 2.87Å; K57-G99 WeakPolarHBondContact CE-O 3.32Å; K57-G99 PolarHBondContact NZ-O 2.83Å; K57-A102 HydrophobicContact CG-CB 4.12Å
58	P	97.4	Very high	97.1	Very high	118 Å²	118	52.7 Å²	52.7	77%	0.766	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	122.3	177.6	-27.7	35.5	0	0	0	112.3	Q60	P58-Q60 VanDerWaalsContact C-N 3.28Å; P58-Q60 PolarHBondContact O-N 2.8Å
59	G	97.4	Very high	97.3	Very high	92 Å²	92	52.5 Å²	52.5	95%	0.948	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	12.1	179.6	0	0	0	0	0	115.5	K57	K57-G59 PolarHBondContact O-N 3.24Å; K57-G59 VanDerWaalsContact O-N 3.15Å
60	Q	97.6	Very high	97.5	Very high	107 Å²	107	53.7 Å²	53.7	50%	0.5	31%	0.31	S	S	.	.	S	Bend	trans	-114.9	158.3	176.3	-60.6	-171.6	-12	0	0	111.2	Q56 K57 P58	Q56-Q60 VanDerWaalsContact CG-O 3.31Å; Q56-Q60 WeakPolarHBondContact CG-O 3.37Å; Q56-Q60 PolarHBondContact NE2-O 2.86Å; K57-Q60 HydrophobicContact CB-CB 4.21Å; K57-Q60 HydrophobicContact CB-CG 4.19Å; K57-Q60 PolarHBondContact O-N 2.87Å; P58-Q60 VanDerWaalsContact C-N 3.28Å; P58-Q60 PolarHBondContact O-N 2.8Å
61	D	97.6	Very high	97.6	Very high	138 Å²	138	57 Å²	57	74%	0.738	33%	0.327	S	S	*	.			trans	-71.9	150	171.8	-63.4	-34.2	0	0	0	110.6	V63	D61-V63 PolarHBondContact O-N 3.15Å
62	P	97.9	Very high	97.6	Very high	67 Å²	67	60.2 Å²	60.2	44%	0.435	34%	0.339	S	S	.	.			trans	-59.1	132.5	173.5	-23.2	33.4	0	0	0	112.5	Y54 Q56	Y54-P62 HydrophobicContact CD1-CB 4.31Å; Q56-P62 HydrophobicContact CB-CB 4.4Å; Q56-P62 HydrophobicContact CB-CG 4.27Å; Q56-P62 HydrophobicContact CG-CG 4.2Å
63	V	98	Very high	97.6	Very high	73 Å²	73	60.7 Å²	60.7	44%	0.442	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.2	177.3	178.7	0	0	0	0	109.7	Y54 Q55 D61 V65 I76	Y54-V63 CarbonylContact C-O 3.53Å; Y54-V63 VanDerWaalsContact CA-O 3.23Å; Y54-V63 WeakPolarHBondContact CA-O 3.44Å; Q55-V63 PolarHBondContact N-O 3.49Å; Q55-V63 PolarHBondContact O-N 2.96Å; D61-V63 PolarHBondContact O-N 3.15Å; V63-V65 PolarHBondContact O-N 2.83Å; V63-I76 HydrophobicContact CG1-CD1 4.43Å
64	L	98.3	Very high	97.6	Very high	53 Å²	53	66.9 Å²	66.9	28%	0.277	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	123.2	174.8	-176.1	67.2	0	0	0	110.4	H52 Y54 I66 P73	H52-L64 HydrophobicContact CB-CD1 3.9Å; Y54-L64 HydrophobicContact CD1-CB 4.15Å; Y54-L64 HydrophobicContact CD1-CD1 4.32Å; Y54-L64 HydrophobicContact CE1-CB 3.93Å; Y54-L64 HydrophobicContact CE1-CD1 3.85Å; Y54-L64 HydrophobicContact CE1-CG 4.48Å; Y54-L64 HydrophobicContact CE2-CD1 4.12Å; L64-I66 VanDerWaalsContact CD1-O 3.26Å; L64-I66 WeakPolarHBondContact CD1-O 3.29Å; L64-P73 HydrophobicContact CB-CG 4.38Å; L64-P73 HydrophobicContact CD2-CG 3.98Å; L64-P73 HydrophobicContact CG-CG 3.92Å
65	V	98.4	Very high	97.5	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.006	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-31.7	179	-63	0	0	0	0	113.2	W53 Q55 V63 R72 P73 I76 L91	W53-V65 HydrophobicContact CB-CG2 3.74Å; W53-V65 VanDerWaalsContact O-CG2 3.29Å; W53-V65 WeakPolarHBondContact O-CG2 3.3Å; W53-V65 PolarHBondContact O-N 3.31Å; Q55-V65 HydrophobicContact CB-CG1 3.63Å; V63-V65 PolarHBondContact O-N 2.83Å; V65-R72 WeakPolarHBondContact O-CG 3.31Å; V65-P73 WeakPolarHBondContact O-CD 3.42Å; V65-I76 HydrophobicContact CB-CG2 4.24Å; V65-I76 HydrophobicContact CG1-CD1 4.22Å; V65-L91 HydrophobicContact CG2-CD1 4.43Å; V65-L91 HydrophobicContact CG2-CD2 4.4Å
66	I	98.5	Very high	97.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.6	172.3	-59.7	-68.2	0	0	0	108.7	H52 W53 L64 N71 R72 F80 L91	H52-I66 CarbonylContact C-O 3.56Å; H52-I66 VanDerWaalsContact CA-O 3.29Å; H52-I66 WeakPolarHBondContact CA-O 3.14Å; W53-I66 HydrophobicContact CB-CB 4.09Å; W53-I66 HydrophobicContact CG-CB 4.41Å; W53-I66 PolarHBondContact N-O 2.95Å; W53-I66 PolarHBondContact O-N 3.4Å; L64-I66 VanDerWaalsContact CD1-O 3.26Å; L64-I66 WeakPolarHBondContact CD1-O 3.29Å; I66-N71 CarbonylContact C-O 2.9Å; I66-N71 VanDerWaalsContact CA-O 3.29Å; I66-N71 WeakPolarHBondContact CA-O 3.31Å; I66-R72 HydrophobicContact CD1-CG 3.8Å; I66-F80 HydrophobicContact CD1-CB 4.48Å; I66-L91 HydrophobicContact CG1-CD1 3.62Å
67	Y	96.8	Very high	97.4	Very high	88 Å²	88	67.7 Å²	67.7	35%	0.345	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-132.1	156.9	172.3	72.3	-85.3	0	0	0	111.5	H52 D69 S70 N71 P73	H52-Y67 VanDerWaalsContact ND1-CA 3.34Å; H52-Y67 WeakPolarHBondContact ND1-CA 3.31Å; H52-Y67 WeakPolarHBondContact ND1-CB 3.3Å; Y67-D69 VanDerWaalsContact C-N 3.25Å; Y67-D69 PolarHBondContact O-N 2.94Å; Y67-S70 PolarHBondContact O-N 2.83Å; Y67-N71 HydrophobicContact CD1-CB 3.76Å; Y67-N71 WeakPolarHBondContact CD1-O 3.32Å; Y67-N71 HydrophobicContact CD2-CB 3.9Å; Y67-N71 HydrophobicContact CE1-CB 3.39Å; Y67-N71 HydrophobicContact CE2-CB 3.54Å; Y67-N71 HydrophobicContact CG-CB 4Å; Y67-N71 PolarHBondContact N-O 2.82Å; Y67-N71 WeakPolarHBondContact O-CB 3.46Å; Y67-N71 PolarHBondContact O-N 3.34Å; Y67-P73 HydrophobicContact CD1-CG 3.91Å; Y67-P73 HydrophobicContact CE1-CG 4.28Å
68	S	95.5	Very high	97.4	Very high	33 Å²	33	71.8 Å²	71.8	23%	0.231	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	54.3	179.8	-53.6	0	0	0	0	111.6	V51 S70	V51-S68 PolarHBondContact O-N 3.24Å; S68-S70 PolarHBondContact O-N 2.9Å
69	D	96	Very high	97.4	Very high	49 Å²	49	68 Å²	68	26%	0.262	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	-37	178.1	-52.8	-45.5	0	0	0	117.1	V51 Y67 G82 S83 N84	V51-D69 WeakPolarHBondContact CB-OD1 3.36Å; V51-D69 PolarHBondContact N-OD1 3.21Å; V51-D69 PolarHBondContact O-N 2.86Å; Y67-D69 VanDerWaalsContact C-N 3.25Å; Y67-D69 PolarHBondContact O-N 2.94Å; D69-G82 CarbonylContact O-C 3.56Å; D69-G82 WeakPolarHBondContact O-CA 3.39Å; D69-S83 PolarHBondContact O-N 2.82Å; D69-N84 HydrophobicContact CB-CB 4.11Å; D69-N84 VanDerWaalsContact OD1-CB 3.29Å; D69-N84 WeakPolarHBondContact OD1-CB 3.22Å; D69-N84 PolarHBondContact OD1-ND2 2.84Å
70	S	97	Very high	97.5	Very high	73 Å²	73	63.8 Å²	63.8	51%	0.51	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	-9.1	-168.6	62.1	0	0	0	0	115.6	Y67 S68	Y67-S70 PolarHBondContact O-N 2.83Å; S68-S70 PolarHBondContact O-N 2.9Å
71	N	97.1	Very high	97.5	Very high	71 Å²	71	61 Å²	61	38%	0.38	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-81.4	142.5	-178.9	-62	-43.7	0	0	0	111.4	I66 Y67	I66-N71 CarbonylContact C-O 2.9Å; I66-N71 VanDerWaalsContact CA-O 3.29Å; I66-N71 WeakPolarHBondContact CA-O 3.31Å; Y67-N71 HydrophobicContact CD1-CB 3.76Å; Y67-N71 WeakPolarHBondContact CD1-O 3.32Å; Y67-N71 HydrophobicContact CD2-CB 3.9Å; Y67-N71 HydrophobicContact CE1-CB 3.39Å; Y67-N71 HydrophobicContact CE2-CB 3.54Å; Y67-N71 HydrophobicContact CG-CB 4Å; Y67-N71 PolarHBondContact N-O 2.82Å; Y67-N71 WeakPolarHBondContact O-CB 3.46Å; Y67-N71 PolarHBondContact O-N 3.34Å
72	R	97.5	Very high	97.5	Very high	68 Å²	68	55 Å²	55	26%	0.257	33%	0.329	S	S	.	.			trans	-106.8	130	176.7	-120	-173.8	-43.6	-53.6	-4.9	110	V65 I66 I76 P77 E78 F80	V65-R72 WeakPolarHBondContact O-CG 3.31Å; I66-R72 HydrophobicContact CD1-CG 3.8Å; R72-I76 WeakPolarHBondContact CD-O 3.42Å; R72-I76 HydrophobicContact CG-CB 3.86Å; R72-I76 HydrophobicContact CG-CG2 3.74Å; R72-P77 VanDerWaalsContact CD-O 3.3Å; R72-P77 WeakPolarHBondContact CD-O 3.46Å; R72-E78 IonicContact CZ-OE2 3.68Å; R72-E78 IonicContact NE-OE1 3.94Å; R72-E78 IonicContact NE-OE2 3.92Å; R72-E78 IonicContact NH2-OE1 3.1Å; R72-E78 IonicContact NH2-OE2 3.54Å; R72-E78 PolarHBondContact NH2-OE2 2.84Å; R72-F80 VanDerWaalsContact CZ-O 3.31Å; R72-F80 PolarHBondContact NH1-O 3.4Å
73	P	97.5	Very high	97.5	Very high	34 Å²	34	53.8 Å²	53.8	22%	0.221	32%	0.321	C	S	.	.			trans	-60.7	156.7	165.2	-21.9	34.8	0	0	0	111.6	L64 V65 Y67 I76	L64-P73 HydrophobicContact CB-CG 4.38Å; L64-P73 HydrophobicContact CD2-CG 3.98Å; L64-P73 HydrophobicContact CG-CG 3.92Å; V65-P73 WeakPolarHBondContact O-CD 3.42Å; Y67-P73 HydrophobicContact CD1-CG 3.91Å; Y67-P73 HydrophobicContact CE1-CG 4.28Å; P73-I76 HydrophobicContact CB-CG1 4.11Å; P73-I76 HydrophobicContact CG-CG1 4.34Å; P73-I76 PolarHBondContact O-N 3.39Å
74	S	97.5	Very high	97.4	Very high	131 Å²	131	51.4 Å²	51.4	92%	0.916	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	140.9	174	-173	0	0	0	0	111.1	I76	S74-I76 VanDerWaalsContact C-N 3.3Å; S74-I76 PolarHBondContact O-N 2.83Å
75	G	96.9	Very high	97.1	Very high	76 Å²	76	53 Å²	53	78%	0.784	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-8.2	-179.4	0	0	0	0	0	115
76	I	97.5	Very high	96.7	Very high	32 Å²	32	55.5 Å²	55.5	16%	0.164	35%	0.346	C	S	.	.	S	Bend	trans	-81.4	131.4	172.7	-55.5	-55.6	0	0	0	109.7	V63 V65 R72 P73 S74 F80	V63-I76 HydrophobicContact CG1-CD1 4.43Å; V65-I76 HydrophobicContact CB-CG2 4.24Å; V65-I76 HydrophobicContact CG1-CD1 4.22Å; R72-I76 WeakPolarHBondContact CD-O 3.42Å; R72-I76 HydrophobicContact CG-CB 3.86Å; R72-I76 HydrophobicContact CG-CG2 3.74Å; P73-I76 HydrophobicContact CB-CG1 4.11Å; P73-I76 HydrophobicContact CG-CG1 4.34Å; P73-I76 PolarHBondContact O-N 3.39Å; S74-I76 VanDerWaalsContact C-N 3.3Å; S74-I76 PolarHBondContact O-N 2.83Å; I76-F80 HydrophobicContact CG2-CB 4.21Å; I76-F80 HydrophobicContact CG2-CD2 4.05Å; I76-F80 HydrophobicContact CG2-CG 4.23Å
77	P	97.4	Very high	96.4	Very high	51 Å²	51	59.9 Å²	59.9	33%	0.331	37%	0.369	S	S	.	.			trans	-60.7	143	-179.5	-27.7	37.1	0	0	0	114.2	R72 R79 F80	R72-P77 VanDerWaalsContact CD-O 3.3Å; R72-P77 WeakPolarHBondContact CD-O 3.46Å; P77-R79 HydrophobicContact CB-CG 3.88Å; P77-R79 PolarHBondContact O-N 3.43Å; P77-F80 HydrophobicContact CB-CD2 4.14Å; P77-F80 HydrophobicContact CB-CE2 4.35Å; P77-F80 HydrophobicContact CG-CD2 4.43Å; P77-F80 HydrophobicContact CG-CE2 4.27Å; P77-F80 PolarHBondContact O-N 3Å; P77-F80 VanDerWaalsContact O-N 3.14Å
78	E	97.4	Very high	96.4	Very high	153 Å²	153	58.5 Å²	58.5	72%	0.715	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.5	177.6	-67.7	-59.8	141.8	0	0	114.5	R72 F80	R72-E78 IonicContact CZ-OE2 3.68Å; R72-E78 IonicContact NE-OE1 3.94Å; R72-E78 IonicContact NE-OE2 3.92Å; R72-E78 IonicContact NH2-OE1 3.1Å; R72-E78 IonicContact NH2-OE2 3.54Å; R72-E78 PolarHBondContact NH2-OE2 2.84Å; E78-F80 PolarHBondContact O-N 3.06Å
79	R	98	Very high	96.5	Very high	37 Å²	37	57 Å²	57	14%	0.14	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.3	177.7	63	165.7	-176.8	-80.3	-2.4	113.5	P77 I93 S94 R95 E97 D100	P77-R79 HydrophobicContact CB-CG 3.88Å; P77-R79 PolarHBondContact O-N 3.43Å; R79-I93 HydrophobicContact CG-CG2 4.14Å; R79-I93 WeakPolarHBondContact O-CA 3.31Å; R79-S94 VanDerWaalsContact CA-OG 3.32Å; R79-S94 WeakPolarHBondContact CA-OG 3.24Å; R79-S94 WeakPolarHBondContact CB-OG 3.4Å; R79-S94 PolarHBondContact O-N 3.29Å; R79-S94 PolarHBondContact O-OG 2.83Å; R79-R95 WeakPolarHBondContact CD-O 3Å; R79-E97 IonicContact CZ-OE1 3.58Å; R79-E97 IonicContact CZ-OE2 2.99Å; R79-E97 VanDerWaalsContact CZ-OE2 3.26Å; R79-E97 IonicContact NH1-OE1 3.26Å; R79-E97 PolarHBondContact NH1-OE1 3.31Å; R79-E97 VanDerWaalsContact NH1-OE1 3.1Å; R79-E97 IonicContact NH1-OE2 3.36Å; R79-E97 PolarHBondContact NH1-OE2 2.85Å; R79-E97 IonicContact NH2-OE2 2.69Å; R79-E97 PolarHBondContact NH2-OE2 3.05Å; R79-D100 IonicContact CZ-OD1 3.61Å; R79-D100 IonicContact CZ-OD2 3.29Å; R79-D100 IonicContact NE-OD1 3.84Å; R79-D100 PolarHBondContact NE-OD1 3.32Å; R79-D100 IonicContact NE-OD2 3.43Å; R79-D100 PolarHBondContact NE-OD2 2.93Å; R79-D100 IonicContact NH2-OD1 2.8Å; R79-D100 PolarHBondContact NH2-OD1 2.87Å; R79-D100 IonicContact NH2-OD2 2.65Å
80	F	98.5	Very high	96.6	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.018	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	132.4	178.6	-71.3	-94.2	0	0	0	110.3	I66 R72 I76 P77 E78 L91 T92 I93 D100 Y104	I66-F80 HydrophobicContact CD1-CB 4.48Å; R72-F80 VanDerWaalsContact CZ-O 3.31Å; R72-F80 PolarHBondContact NH1-O 3.4Å; I76-F80 HydrophobicContact CG2-CB 4.21Å; I76-F80 HydrophobicContact CG2-CD2 4.05Å; I76-F80 HydrophobicContact CG2-CG 4.23Å; P77-F80 HydrophobicContact CB-CD2 4.14Å; P77-F80 HydrophobicContact CB-CE2 4.35Å; P77-F80 HydrophobicContact CG-CD2 4.43Å; P77-F80 HydrophobicContact CG-CE2 4.27Å; P77-F80 PolarHBondContact O-N 3Å; P77-F80 VanDerWaalsContact O-N 3.14Å; E78-F80 PolarHBondContact O-N 3.06Å; F80-L91 HydrophobicContact CD1-CD1 4.36Å; F80-T92 CarbonylContact C-O 3.51Å; F80-T92 WeakPolarHBondContact CA-O 3.03Å; F80-I93 HydrophobicContact CD1-CD1 4.03Å; F80-I93 HydrophobicContact CD1-CG1 3.71Å; F80-I93 HydrophobicContact CE1-CD1 3.44Å; F80-I93 VanDerWaalsContact CE1-CD1 3.44Å; F80-I93 HydrophobicContact CE1-CG1 3.66Å; F80-I93 HydrophobicContact CE1-CG2 4.4Å; F80-I93 HydrophobicContact CZ-CD1 4.12Å; F80-I93 HydrophobicContact CZ-CG1 4.45Å; F80-I93 HydrophobicContact CZ-CG2 4.42Å; F80-D100 VanDerWaalsContact CZ-OD1 3.29Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.37Å; F80-Y104 HydrophobicContact CE1-CE1 4.07Å
81	S	98.5	Very high	96.7	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	149.2	171.1	59.9	0	0	0	0	111.1	T92	S81-T92 PolarHBondContact N-O 2.93Å; S81-T92 PolarHBondContact O-N 3.35Å
82	G	98.2	Very high	96.8	Very high	12 Å²	12	49 Å²	49	12%	0.124	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	159.7	175.6	0	0	0	0	0	112.4	D69 T90	D69-G82 CarbonylContact O-C 3.56Å; D69-G82 WeakPolarHBondContact O-CA 3.39Å; G82-T90 CarbonylContact C-O 3.59Å; G82-T90 WeakPolarHBondContact CA-O 3.35Å
83	S	97.3	Very high	96.8	Very high	40 Å²	40	45.9 Å²	45.9	28%	0.28	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	151.5	170	59.5	0	0	0	0	109.6	D69 P85 A89 T90	D69-S83 PolarHBondContact O-N 2.82Å; S83-P85 VanDerWaalsContact C-CD 3.5Å; S83-A89 CarbonylContact O-C 3.57Å; S83-A89 VanDerWaalsContact O-CA 3.3Å; S83-A89 WeakPolarHBondContact O-CA 3.29Å; S83-T90 PolarHBondContact N-O 2.86Å; S83-T90 PolarHBondContact O-N 2.02Å; S83-T90 PolarHBondContact OG-O 2.89Å
84	N	95.7	Very high	96.8	Very high	24 Å²	24	47.1 Å²	47.1	13%	0.128	31%	0.31	C	S	.	.			trans	-134.2	59.3	178.2	-172.5	20	0	0	0	113	I46 K49 V51 D69 A89	I46-N84 PolarHBondContact O-ND2 3.23Å; K49-N84 PolarHBondContact O-ND2 2.92Å; V51-N84 HydrophobicContact CG2-CB 4.21Å; V51-N84 VanDerWaalsContact CG2-ND2 3.28Å; V51-N84 WeakPolarHBondContact CG2-ND2 3.34Å; D69-N84 HydrophobicContact CB-CB 4.11Å; D69-N84 VanDerWaalsContact OD1-CB 3.29Å; D69-N84 WeakPolarHBondContact OD1-CB 3.22Å; D69-N84 PolarHBondContact OD1-ND2 2.84Å; N84-A89 HydrophobicContact CB-CB 4.31Å
85	P	91.7	Very high	96.9	Very high	87 Å²	87	48.5 Å²	48.5	57%	0.565	30%	0.295	S	S	*	.			trans	-76.1	129.3	177.3	31.6	-34.3	0	0	0	111.8	S83 N87 T88	S83-P85 VanDerWaalsContact C-CD 3.5Å; P85-N87 PolarHBondContact O-N 2.97Å; P85-T88 WeakPolarHBondContact CD-O 3.29Å; P85-T88 PolarHBondContact O-N 3.16Å
86	G	89.6	Confident	96.9	Very high	53 Å²	53	46 Å²	46	55%	0.546	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	-123.4	171.4	0	0	0	0	0	112.7	G47	G47-G86 WeakPolarHBondContact CA-O 3.39Å; G47-G86 PolarHBondContact N-O 3.33Å
87	N	92.9	Very high	96.9	Very high	92 Å²	92	49 Å²	49	49%	0.492	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	21.9	-179.2	-73.8	-25.5	0	0	0	113.2	N45 I46 P85	N45-N87 WeakPolarHBondContact CA-OD1 3.4Å; N45-N87 PolarHBondContact N-OD1 3.32Å; I46-N87 VanDerWaalsContact CG2-CA 3.45Å; I46-N87 HydrophobicContact CG2-CB 4.38Å; I46-N87 VanDerWaalsContact CG2-O 3.26Å; I46-N87 WeakPolarHBondContact CG2-O 3.43Å; P85-N87 PolarHBondContact O-N 2.97Å
88	T	96.8	Very high	96.7	Very high	59 Å²	59	50.9 Å²	50.9	36%	0.362	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	110.7	-178.9	-56.2	0	0	0	0	111.3	T40 C41 P85	T40-T88 HydrophobicContact CG2-CG2 4.07Å; C41-T88 WeakPolarHBondContact O-CA 3.29Å; P85-T88 WeakPolarHBondContact CD-O 3.29Å; P85-T88 PolarHBondContact O-N 3.16Å
89	A	97.7	Very high	96.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	147.6	169.1	0	0	0	0	0	110.8	T40 C41 I46 V51 W53 S83 N84	T40-A89 CarbonylContact C-O 3.5Å; T40-A89 VanDerWaalsContact CA-O 3.3Å; T40-A89 WeakPolarHBondContact CA-O 3.26Å; C41-A89 HydrophobicContact CB-CB 4.29Å; C41-A89 PolarHBondContact N-O 2.89Å; C41-A89 PolarHBondContact O-N 2.92Å; I46-A89 HydrophobicContact CD1-CB 3.96Å; V51-A89 HydrophobicContact CB-CB 4.19Å; V51-A89 HydrophobicContact CG1-CB 3.8Å; V51-A89 HydrophobicContact CG2-CB 3.78Å; W53-A89 HydrophobicContact CZ2-CB 4.26Å; S83-A89 CarbonylContact O-C 3.57Å; S83-A89 VanDerWaalsContact O-CA 3.3Å; S83-A89 WeakPolarHBondContact O-CA 3.29Å; N84-A89 HydrophobicContact CB-CB 4.31Å
90	T	98.4	Very high	96.6	Very high	13 Å²	13	43.9 Å²	43.9	8%	0.08	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	123.4	179.4	-54.9	0	0	0	0	110.6	R38 I39 G82 S83	R38-T90 HydrophobicContact CB-CG2 4.08Å; R38-T90 HydrophobicContact CG-CG2 4.46Å; I39-T90 CarbonylContact O-C 3.55Å; I39-T90 VanDerWaalsContact O-CA 3.31Å; I39-T90 WeakPolarHBondContact O-CA 3.42Å; G82-T90 CarbonylContact C-O 3.59Å; G82-T90 WeakPolarHBondContact CA-O 3.35Å; S83-T90 PolarHBondContact N-O 2.86Å; S83-T90 PolarHBondContact O-N 2.02Å; S83-T90 PolarHBondContact OG-O 2.89Å
91	L	98.7	Very high	96.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.4	160.7	-178.6	66	0	0	0	108.7	R38 I39 W53 V65 I66 F80 Y104	R38-L91 CarbonylContact C-O 3.52Å; R38-L91 WeakPolarHBondContact CA-O 3.23Å; I39-L91 HydrophobicContact CB-CB 4.41Å; I39-L91 HydrophobicContact CD1-CD2 4.4Å; I39-L91 PolarHBondContact N-O 2.86Å; I39-L91 PolarHBondContact O-N 2.85Å; W53-L91 HydrophobicContact CB-CD1 4.23Å; W53-L91 HydrophobicContact CB-CD2 4.28Å; W53-L91 HydrophobicContact CD2-CB 3.54Å; W53-L91 HydrophobicContact CD2-CD1 4.47Å; W53-L91 HydrophobicContact CD2-CD2 4.12Å; W53-L91 HydrophobicContact CD2-CG 4.27Å; W53-L91 HydrophobicContact CE3-CB 3.76Å; W53-L91 HydrophobicContact CE3-CD2 3.9Å; W53-L91 HydrophobicContact CE3-CG 4.42Å; W53-L91 HydrophobicContact CG-CB 4.03Å; W53-L91 HydrophobicContact CG-CD1 4.09Å; W53-L91 HydrophobicContact CG-CD2 4.3Å; W53-L91 HydrophobicContact CG-CG 4.38Å; W53-L91 HydrophobicContact CH2-CB 4.04Å; W53-L91 HydrophobicContact CZ2-CB 3.87Å; W53-L91 VanDerWaalsContact CZ2-N 3.33Å; W53-L91 HydrophobicContact CZ3-CB 3.99Å; V65-L91 HydrophobicContact CG2-CD1 4.43Å; V65-L91 HydrophobicContact CG2-CD2 4.4Å; I66-L91 HydrophobicContact CG1-CD1 3.62Å; F80-L91 HydrophobicContact CD1-CD1 4.36Å; L91-Y104 HydrophobicContact CD2-CD1 3.57Å; L91-Y104 HydrophobicContact CD2-CE1 3.94Å; L91-Y104 HydrophobicContact CD2-CG 4.42Å
92	T	98.5	Very high	96.5	Very high	13 Å²	13	50.6 Å²	50.6	8%	0.08	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.9	175.8	-57.1	0	0	0	0	109.3	M36 A37 F80 S81	M36-T92 HydrophobicContact CG-CG2 3.97Å; M36-T92 HydrophobicContact SD-CG2 3.91Å; A37-T92 WeakPolarHBondContact O-CA 3.44Å; F80-T92 CarbonylContact C-O 3.51Å; F80-T92 WeakPolarHBondContact CA-O 3.03Å; S81-T92 PolarHBondContact N-O 2.93Å; S81-T92 PolarHBondContact O-N 3.35Å
93	I	98.4	Very high	96.5	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	103.3	170.6	-49.3	175.3	0	0	0	106.2	M36 A37 R79 F80 R95 I96 Y104	M36-I93 CarbonylContact C-O 3.59Å; M36-I93 VanDerWaalsContact CA-O 3.31Å; M36-I93 WeakPolarHBondContact CA-O 2.98Å; A37-I93 HydrophobicContact CB-CB 4.44Å; A37-I93 PolarHBondContact N-O 3.09Å; A37-I93 PolarHBondContact O-N 3.39Å; R79-I93 HydrophobicContact CG-CG2 4.14Å; R79-I93 WeakPolarHBondContact O-CA 3.31Å; F80-I93 HydrophobicContact CD1-CD1 4.03Å; F80-I93 HydrophobicContact CD1-CG1 3.71Å; F80-I93 HydrophobicContact CE1-CD1 3.44Å; F80-I93 VanDerWaalsContact CE1-CD1 3.44Å; F80-I93 HydrophobicContact CE1-CG1 3.66Å; F80-I93 HydrophobicContact CE1-CG2 4.4Å; F80-I93 HydrophobicContact CZ-CD1 4.12Å; F80-I93 HydrophobicContact CZ-CG1 4.45Å; F80-I93 HydrophobicContact CZ-CG2 4.42Å; I93-R95 PolarHBondContact O-N 3.23Å; I93-I96 HydrophobicContact CB-CD1 3.89Å; I93-I96 HydrophobicContact CD1-CD1 3.9Å; I93-I96 HydrophobicContact CG1-CD1 4.48Å; I93-I96 HydrophobicContact CG2-CD1 3.85Å; I93-Y104 HydrophobicContact CD1-CE1 4.17Å
94	S	98.1	Very high	96.6	Very high	60 Å²	60	54 Å²	54	42%	0.42	32%	0.316	S	S	.	.	S	Bend	trans	-63.9	-25.9	-170	55.8	0	0	0	0	114.1	R79	R79-S94 VanDerWaalsContact CA-OG 3.32Å; R79-S94 WeakPolarHBondContact CA-OG 3.24Å; R79-S94 WeakPolarHBondContact CB-OG 3.4Å; R79-S94 PolarHBondContact O-N 3.29Å; R79-S94 PolarHBondContact O-OG 2.83Å
95	R	97.8	Very high	96.7	Very high	159 Å²	159	57.5 Å²	57.5	60%	0.6	33%	0.328	S	S	*	.	S	Bend	trans	-147.7	106	177.2	-173.9	-175.2	-63.2	-168.1	0.5	110	A34 Q35 R79 I93	A34-R95 HydrophobicContact CB-CG 4.42Å; Q35-R95 WeakPolarHBondContact O-CA 3.37Å; R79-R95 WeakPolarHBondContact CD-O 3Å; I93-R95 PolarHBondContact O-N 3.23Å
96	I	97.6	Very high	97	Very high	25 Å²	25	54 Å²	54	13%	0.128	31%	0.306	C	S	.	.			trans	-67	132.4	178.1	-70.8	-68.8	0	0	0	111.4	V31 T33 A34 Q35 A37 I93 D100	V31-I96 HydrophobicContact CB-CG1 4.38Å; V31-I96 HydrophobicContact CG1-CG1 4.15Å; T33-I96 WeakPolarHBondContact CG2-O 3.28Å; A34-I96 PolarHBondContact N-O 3.2Å; Q35-I96 PolarHBondContact O-N 2.95Å; A37-I96 HydrophobicContact CB-CD1 3.63Å; A37-I96 HydrophobicContact CB-CG1 3.74Å; I93-I96 HydrophobicContact CB-CD1 3.89Å; I93-I96 HydrophobicContact CD1-CD1 3.9Å; I93-I96 HydrophobicContact CG1-CD1 4.48Å; I93-I96 HydrophobicContact CG2-CD1 3.85Å; I96-D100 HydrophobicContact CD1-CB 4.04Å
97	E	97.4	Very high	97.3	Very high	93 Å²	93	55.2 Å²	55.2	44%	0.435	30%	0.297	S	S	.	.			trans	-116.1	160.9	171.7	-68.2	168.9	-164.4	0	0	110.3	R79 G99 D100	R79-E97 IonicContact CZ-OE1 3.58Å; R79-E97 IonicContact CZ-OE2 2.99Å; R79-E97 VanDerWaalsContact CZ-OE2 3.26Å; R79-E97 IonicContact NH1-OE1 3.26Å; R79-E97 PolarHBondContact NH1-OE1 3.31Å; R79-E97 VanDerWaalsContact NH1-OE1 3.1Å; R79-E97 IonicContact NH1-OE2 3.36Å; R79-E97 PolarHBondContact NH1-OE2 2.85Å; R79-E97 IonicContact NH2-OE2 2.69Å; R79-E97 PolarHBondContact NH2-OE2 3.05Å; E97-G99 PolarHBondContact O-N 3.37Å; E97-G99 VanDerWaalsContact O-N 3.1Å; E97-D100 PolarHBondContact N-OD2 2.81Å; E97-D100 VanDerWaalsContact O-CB 3.31Å; E97-D100 WeakPolarHBondContact O-CB 3.41Å; E97-D100 PolarHBondContact O-N 3.23Å
98	A	94	Very high	97.3	Very high	91 Å²	91	52 Å²	52	75%	0.752	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-58.3	-27.6	179	0	0	0	0	0	113.2	D100	A98-D100 PolarHBondContact O-N 2.97Å
99	G	94.8	Very high	97	Very high	36 Å²	36	55.1 Å²	55.1	37%	0.371	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-75.5	-0.8	176.3	0	0	0	0	0	115.1	K57 E97	K57-G99 WeakPolarHBondContact CE-O 3.32Å; K57-G99 PolarHBondContact NZ-O 2.83Å; E97-G99 PolarHBondContact O-N 3.37Å; E97-G99 VanDerWaalsContact O-N 3.1Å
100	D	97.3	Very high	96.4	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.037	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-92.8	-4.9	179.1	-63.7	-31.5	0	0	0	113.3	R79 F80 I96 E97 A98 A102 Y104	R79-D100 IonicContact CZ-OD1 3.61Å; R79-D100 IonicContact CZ-OD2 3.29Å; R79-D100 IonicContact NE-OD1 3.84Å; R79-D100 PolarHBondContact NE-OD1 3.32Å; R79-D100 IonicContact NE-OD2 3.43Å; R79-D100 PolarHBondContact NE-OD2 2.93Å; R79-D100 IonicContact NH2-OD1 2.8Å; R79-D100 PolarHBondContact NH2-OD1 2.87Å; R79-D100 IonicContact NH2-OD2 2.65Å; F80-D100 VanDerWaalsContact CZ-OD1 3.29Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.37Å; I96-D100 HydrophobicContact CD1-CB 4.04Å; E97-D100 PolarHBondContact N-OD2 2.81Å; E97-D100 VanDerWaalsContact O-CB 3.31Å; E97-D100 WeakPolarHBondContact O-CB 3.41Å; E97-D100 PolarHBondContact O-N 3.23Å; A98-D100 PolarHBondContact O-N 2.97Å; D100-A102 PolarHBondContact O-N 2.71Å; D100-Y104 WeakPolarHBondContact O-CE2 3.42Å; D100-Y104 PolarHBondContact O-OH 3.2Å
101	E	97.4	Very high	95.2	Very high	171 Å²	171	61.7 Å²	61.7	80%	0.799	33%	0.325	S	S	*	.			trans	-68.1	110.4	172.2	-171.9	174.6	176	0	0	110
102	A	98	Very high	93.8	Very high	24 Å²	24	66.5 Å²	66.5	20%	0.198	36%	0.359	C	S	.	.	S	Bend	trans	-167.8	164	-171.9	0	0	0	0	0	110.2	Q55 Q56 K57 D100 Y104	Q55-A102 HydrophobicContact CG-CB 3.4Å; Q56-A102 WeakPolarHBondContact O-CA 3.46Å; Q56-A102 VanDerWaalsContact O-CB 3.31Å; Q56-A102 WeakPolarHBondContact O-CB 3.43Å; K57-A102 HydrophobicContact CG-CB 4.12Å; D100-A102 PolarHBondContact O-N 2.71Å; A102-Y104 HydrophobicContact CB-CD2 4.42Å; A102-Y104 HydrophobicContact CB-CE2 3.89Å; A102-Y104 VanDerWaalsContact O-CD2 3.31Å; A102-Y104 WeakPolarHBondContact O-CD2 3.23Å; A102-Y104 WeakPolarHBondContact O-CE2 3.33Å
103	D	98.3	Very high	92.1	Very high	95 Å²	95	67.8 Å²	67.8	51%	0.508	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.9	161.3	-65.7	-45.7	0	0	0	109.4	Q56 Y105	Q56-D103 HydrophobicContact CB-CB 4.42Å; Q56-D103 PolarHBondContact N-O 2.83Å; Q56-D103 PolarHBondContact O-N 2.78Å; D103-Y105 HydrophobicContact CB-CE2 3.69Å; D103-Y105 WeakPolarHBondContact CB-OH 3.26Å
104	Y	98.5	Very high	90.1	Very high	30 Å²	30	71.4 Å²	71.4	12%	0.118	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.8	-179.7	-70.4	-92.8	0	0	0	110.7	Q25 I39 Y54 Q55 F80 L91 I93 D100 A102	Q25-Y104 PolarHBondContact NE2-O 2.65Å; I39-Y104 HydrophobicContact CD1-CD1 4.16Å; I39-Y104 HydrophobicContact CD1-CD2 3.57Å; I39-Y104 HydrophobicContact CD1-CE2 4.13Å; I39-Y104 HydrophobicContact CD1-CG 3.57Å; Y54-Y104 WeakPolarHBondContact O-CA 3.36Å; Q55-Y104 HydrophobicContact CB-CD1 4.21Å; Q55-Y104 HydrophobicContact CB-CE1 3.91Å; Q55-Y104 HydrophobicContact CG-CD1 4.41Å; Q55-Y104 HydrophobicContact CG-CE1 3.81Å; Q55-Y104 PolarHBondContact NE2-OH 3.25Å; F80-Y104 HydrophobicContact CE1-CE1 4.07Å; L91-Y104 HydrophobicContact CD2-CD1 3.57Å; L91-Y104 HydrophobicContact CD2-CE1 3.94Å; L91-Y104 HydrophobicContact CD2-CG 4.42Å; I93-Y104 HydrophobicContact CD1-CE1 4.17Å; D100-Y104 WeakPolarHBondContact O-CE2 3.42Å; D100-Y104 PolarHBondContact O-OH 3.2Å; A102-Y104 HydrophobicContact CB-CD2 4.42Å; A102-Y104 HydrophobicContact CB-CE2 3.89Å; A102-Y104 VanDerWaalsContact O-CD2 3.31Å; A102-Y104 WeakPolarHBondContact O-CD2 3.23Å; A102-Y104 WeakPolarHBondContact O-CE2 3.33Å
105	Y	98.1	Very high	87.4	Confident	97 Å²	97	80.8 Å²	80.8	38%	0.38	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.7	-176.6	-55.5	-76.6	0	0	0	110.9	W53 Y54 Q56 D103	W53-Y105 WeakPolarHBondContact CA-O 3.02Å; Y54-Y105 PolarHBondContact N-O 3.3Å; Y54-Y105 PolarHBondContact O-N 2.73Å; Q56-Y105 HydrophobicContact CB-CD2 4.47Å; Q56-Y105 HydrophobicContact CB-CE2 3.91Å; D103-Y105 HydrophobicContact CB-CE2 3.69Å; D103-Y105 WeakPolarHBondContact CB-OH 3.26Å
106	C	97.6	Very high	86.8	Confident	14 Å²	14	76.9 Å²	76.9	10%	0.095	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	142.9	166.1	62.9	0	0	0	0	111	Q25 C41 V51 H52 W53	Q25-C106 VanDerWaalsContact CD-SG 3.57Å; Q25-C106 PolarHBondContact OE1-SG 3.29Å; C41-C106 HydrophobicContact CB-CB 3.43Å; C41-C106 VanDerWaalsContact CB-CB 3.43Å; C41-C106 WeakPolarHBondContact CB-SG 3.31Å; C41-C106 WeakPolarHBondContact SG-CB 3.4Å; C41-C106 CovalentContact SG-SG 2.02Å; C41-C106 PolarHBondContact SG-SG 2.69Å; V51-C106 HydrophobicContact CG1-CB 4.45Å; H52-C106 WeakPolarHBondContact O-CA 3.35Å; W53-C106 HydrophobicContact CD2-CB 4.36Å; W53-C106 HydrophobicContact CE3-CB 4.18Å; W53-C106 HydrophobicContact CH2-CB 4.14Å; W53-C106 HydrophobicContact CZ2-CB 4.3Å; W53-C106 HydrophobicContact CZ3-CB 4.07Å
107	Q	96	Very high	86.3	Confident	77 Å²	77	79.6 Å²	79.6	36%	0.36	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.9	169.1	179.2	-171.3	15.6	0	0	108.1	V51 H52 Y54	V51-Q107 WeakPolarHBondContact CA-O 3.34Å; H52-Q107 HydrophobicContact CB-CB 4.32Å; H52-Q107 PolarHBondContact N-O 3.44Å; H52-Q107 PolarHBondContact O-N 2.95Å; Y54-Q107 HydrophobicContact CE2-CB 3.96Å; Y54-Q107 VanDerWaalsContact CE2-OE1 3.23Å; Y54-Q107 PolarHBondContact OH-OE1 2.62Å
108	V	94.6	Very high	85.7	Confident	24 Å²	24	78.9 Å²	78.9	15%	0.145	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.2	172.1	-59.1	0	0	0	0	111	Y21 L23 I46 K49 A50 V51	Y21-V108 HydrophobicContact CD1-CG2 4.2Å; Y21-V108 HydrophobicContact CE1-CG2 3.53Å; L23-V108 HydrophobicContact CD1-CG1 3.9Å; L23-V108 HydrophobicContact CD1-CG2 4.21Å; L23-V108 HydrophobicContact CD2-CG1 3.82Å; L23-V108 HydrophobicContact CD2-CG2 4.41Å; L23-V108 HydrophobicContact CG-CG1 4.47Å; I46-V108 HydrophobicContact CD1-CG1 3.52Å; I46-V108 HydrophobicContact CG1-CG1 3.61Å; K49-V108 HydrophobicContact CB-CB 4.15Å; K49-V108 HydrophobicContact CD-CB 3.82Å; K49-V108 HydrophobicContact CD-CG2 3.73Å; A50-V108 CarbonylContact O-C 3.53Å; A50-V108 VanDerWaalsContact O-CA 3.32Å; A50-V108 WeakPolarHBondContact O-CA 3.29Å; V51-V108 HydrophobicContact CG2-CG1 4.17Å
109	W	89.6	Confident	85.2	Confident	126 Å²	126	78.2 Å²	78.2	48%	0.477	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.6	174.6	-170.3	-106.1	0	0	0	110.5	K49 A50 S111 S113 D114	K49-W109 CarbonylContact C-O 3.56Å; K49-W109 WeakPolarHBondContact CA-O 3.12Å; K49-W109 VanDerWaalsContact CB-O 3.23Å; K49-W109 WeakPolarHBondContact CB-O 3.33Å; A50-W109 PolarHBondContact N-O 3.36Å; A50-W109 PolarHBondContact O-N 3.49Å; W109-S111 PolarHBondContact O-N 3.12Å; W109-S113 PolarHBondContact NE1-OG 3.46Å; W109-D114 VanDerWaalsContact CD1-OD1 3.28Å
110	D	84.6	Confident	84.6	Confident	88 Å²	88	80.8 Å²	80.8	47%	0.471	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	115.4	175.5	-167.7	-37.4	0	0	0	108.9	S112 S113	D110-S112 PolarHBondContact O-N 3.09Å; D110-S112 WeakPolarHBondContact OD1-CB 3.42Å; D110-S112 PolarHBondContact OD1-N 3.27Å; D110-S112 PolarHBondContact OD1-OG 3.11Å; D110-S113 PolarHBondContact O-N 3.3Å; D110-S113 PolarHBondContact O-OG 3.32Å
111	S	73.1	Confident	83.7	Confident	63 Å²	63	85.7 Å²	85.7	44%	0.441	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-63.2	-15.8	-176.4	59.2	0	0	0	0	113	S48 W109 S113	S48-S111 PolarHBondContact O-OG 2.89Å; W109-S111 PolarHBondContact O-N 3.12Å; S111-S113 PolarHBondContact O-N 2.97Å
112	S	70.2	Confident	82.7	Confident	100 Å²	100	79.6 Å²	79.6	70%	0.699	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-71.8	-11.7	173	66.3	0	0	0	0	113.6	D110	D110-S112 PolarHBondContact O-N 3.09Å; D110-S112 WeakPolarHBondContact OD1-CB 3.42Å; D110-S112 PolarHBondContact OD1-N 3.27Å; D110-S112 PolarHBondContact OD1-OG 3.11Å
113	S	63.3	Low	81.6	Confident	41 Å²	41	83.9 Å²	83.9	29%	0.287	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-114.6	15.8	-176.4	54.8	0	0	0	0	114.2	W109 D110 S111 H115	W109-S113 PolarHBondContact NE1-OG 3.46Å; D110-S113 PolarHBondContact O-N 3.3Å; D110-S113 PolarHBondContact O-OG 3.32Å; S111-S113 PolarHBondContact O-N 2.97Å; S113-H115 PolarHBondContact O-N 3.31Å
114	D	55	Low	80.2	Confident	78 Å²	78	83 Å²	83	42%	0.417	42%	0.424	S	S	.	.			trans	-74.3	102.9	169.5	-70.7	-18.6	0	0	0	109	W109	W109-D114 VanDerWaalsContact CD1-OD1 3.28Å
115	H	41.4	Very low	78.5	Confident	258 Å²	258	87.8 Å²	87.8	100%	1.194	45%	0.451	S	S	*	.			trans	-88.7	0	172.3	-75.7	-32.2	0	0	0	112	S113	S113-H115 PolarHBondContact O-N 3.31Å

Retrieved 115 of 115 residues in 126.5 ms (Link to these results)

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