LV316_HUMAN Loading...

Immunoglobulin lambda variable 3-16

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 A0A075B6K0, Species HUMAN (Homo sapiens, Human), Gene IGLV3-16, Length 115 aa.

						>LV316_HUMAN|A0A075B6K0|IGLV3-16
MAWIPLLLPLLTLCTGSEASYELTQPPSVSVSLGQMARITCSGEALPKKYAYWYQQKPGQFPVLVIYKDSERPSGIPERFSGSSSGTIVTLTISGVQAEDEADYYCLSADSSGTY
					

Structure Viewer

Loading PAE data...

(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	54.7	Low	61.7	Low	251 Å²	251	155.5 Å²	155.5	100%	1.236	83%	0.825	S	S	*	*				0	88.3	0	-73.7	-67.4	-141.5	0	0	108.2
2	A	59.6	Low	62.1	Low	100 Å²	100	152 Å²	152	83%	0.826	81%	0.814	S	S	*	*			trans	-136.4	114.5	170.6	0	0	0	0	0	105.4
3	W	57.5	Low	62.3	Low	247 Å²	247	151.2 Å²	151.2	94%	0.936	81%	0.808	S	S	*	*			trans	-87.2	119.5	-171.4	-158.6	-23	0	0	0	108.5	P5	W3-P5 WeakPolarHBondContact O-CD 3.29Å
4	I	70.4	Confident	62.4	Low	137 Å²	137	149.5 Å²	149.5	70%	0.703	81%	0.812	S	S	*	*			trans	-82.2	113.1	170.3	-64.1	166.3	0	0	0	107.4	L6	I4-L6 PolarHBondContact O-N 3.49Å; I4-L6 VanDerWaalsContact O-N 3.13Å
5	P	60.8	Low	62.3	Low	108 Å²	108	147.7 Å²	147.7	70%	0.701	81%	0.808	S	S	*	*			trans	-62.5	108.6	161.6	14.7	-26.8	0	0	0	110.8	W3 L7	W3-P5 WeakPolarHBondContact O-CD 3.29Å; P5-L7 PolarHBondContact O-N 3.07Å
6	L	60.2	Low	62	Low	152 Å²	152	142.6 Å²	142.6	80%	0.796	80%	0.8	S	S	*	*			trans	-65.4	107	164.9	-98.6	114.9	0	0	0	109	I4	I4-L6 PolarHBondContact O-N 3.49Å; I4-L6 VanDerWaalsContact O-N 3.13Å
7	L	60.3	Low	62	Low	165 Å²	165	140.9 Å²	140.9	86%	0.864	80%	0.8	S	S	*	*			trans	-84.8	104	162.9	-76.5	157.8	0	0	0	107.8	P5	P5-L7 PolarHBondContact O-N 3.07Å
8	L	64.7	Low	61.6	Low	149 Å²	149	143.1 Å²	143.1	78%	0.78	80%	0.802	S	S	*	*			trans	-71.8	131	167.4	-86.6	127.3	0	0	0	109.2	L10	L8-L10 PolarHBondContact O-N 3.47Å
9	P	63.1	Low	61.5	Low	102 Å²	102	140.2 Å²	140.2	66%	0.662	80%	0.799	S	S	*	*			trans	-73.4	118.4	171.7	30.8	-28.8	0	0	0	107.8	L11	P9-L11 VanDerWaalsContact C-N 3.33Å; P9-L11 PolarHBondContact O-N 3.35Å
10	L	65.1	Low	61.6	Low	155 Å²	155	137.7 Å²	137.7	81%	0.812	79%	0.79	S	S	*	*			trans	-71	91.4	170.5	-168.5	74.4	0	0	0	107.9	L8 T12	L8-L10 PolarHBondContact O-N 3.47Å; L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 HydrophobicContact CD2-CG2 4.34Å; L10-T12 HydrophobicContact CG-CG2 4.42Å; L10-T12 PolarHBondContact O-N 3.32Å; L10-T12 VanDerWaalsContact O-N 3.08Å
11	L	62.7	Low	62.4	Low	145 Å²	145	135.7 Å²	135.7	76%	0.759	77%	0.77	S	S	*	*			trans	-76.4	84.1	168.9	-81.7	151	0	0	0	108.4	P9 L13	P9-L11 VanDerWaalsContact C-N 3.33Å; P9-L11 PolarHBondContact O-N 3.35Å; L11-L13 PolarHBondContact O-N 3.21Å; L11-L13 VanDerWaalsContact O-N 3.12Å
12	T	66.2	Low	64	Low	113 Å²	113	130.7 Å²	130.7	69%	0.693	74%	0.744	S	S	*	*			trans	-71.6	96.2	166.4	20.6	0	0	0	0	109.1	L10 C14	L10-T12 VanDerWaalsContact C-N 3.3Å; L10-T12 HydrophobicContact CD2-CG2 4.34Å; L10-T12 HydrophobicContact CG-CG2 4.42Å; L10-T12 PolarHBondContact O-N 3.32Å; L10-T12 VanDerWaalsContact O-N 3.08Å; T12-C14 PolarHBondContact O-N 2.96Å; T12-C14 VanDerWaalsContact O-N 3.14Å
13	L	64.8	Low	65.8	Low	141 Å²	141	128.4 Å²	128.4	74%	0.738	72%	0.718	S	S	*	*			trans	-68.5	102.6	163.9	-108	71.5	0	0	0	108.2	L11 T15	L11-L13 PolarHBondContact O-N 3.21Å; L11-L13 VanDerWaalsContact O-N 3.12Å; L13-T15 VanDerWaalsContact C-N 3.26Å; L13-T15 PolarHBondContact O-N 2.91Å
14	C	63.1	Low	67.6	Low	128 Å²	128	120.8 Å²	120.8	87%	0.865	70%	0.698	S	S	*	*			trans	-70.8	88.1	159	-85.8	0	0	0	0	108.2	T12 G16	T12-C14 PolarHBondContact O-N 2.96Å; T12-C14 VanDerWaalsContact O-N 3.14Å; C14-G16 PolarHBondContact O-N 2.82Å
15	T	62.1	Low	69	Low	122 Å²	122	117 Å²	117	75%	0.748	68%	0.678	S	S	*	*			trans	-74.6	84.6	158.3	39.9	0	0	0	0	107.8	L13 S17	L13-T15 VanDerWaalsContact C-N 3.26Å; L13-T15 PolarHBondContact O-N 2.91Å; T15-S17 PolarHBondContact O-N 3.01Å
16	G	57.4	Low	70.7	Confident	66 Å²	66	114 Å²	114	68%	0.68	66%	0.659	S	S	*	*			trans	-65.8	111.1	161.5	0	0	0	0	0	108.1	C14 E18	C14-G16 PolarHBondContact O-N 2.82Å; G16-E18 PolarHBondContact O-N 2.87Å
17	S	61	Low	72.5	Confident	115 Å²	115	113.4 Å²	113.4	80%	0.804	66%	0.664	S	S	*	*			trans	-83	92.4	166.6	-177.3	0	0	0	0	107.1	T15 A19	T15-S17 PolarHBondContact O-N 3.01Å; S17-A19 PolarHBondContact O-N 3.43Å; S17-A19 VanDerWaalsContact O-N 3.07Å
18	E	55.8	Low	74.3	Confident	179 Å²	179	109.9 Å²	109.9	84%	0.836	65%	0.652	S	S	*	*			trans	-63.7	106	164.8	-70.2	-65.2	142.8	0	0	107.4	G16 S20	G16-E18 PolarHBondContact O-N 2.87Å; E18-S20 PolarHBondContact O-N 2.91Å; E18-S20 VanDerWaalsContact O-N 3.09Å
19	A	59.8	Low	75.9	Confident	89 Å²	89	105.8 Å²	105.8	74%	0.736	63%	0.633	S	S	*	*			trans	-72.5	101	174.9	0	0	0	0	0	108.6	S17 Y21	S17-A19 PolarHBondContact O-N 3.43Å; S17-A19 VanDerWaalsContact O-N 3.07Å; A19-Y21 PolarHBondContact O-N 2.95Å
20	S	63.8	Low	77.5	Confident	89 Å²	89	106.2 Å²	106.2	62%	0.622	64%	0.639	S	S	*	*			trans	-62.3	122.2	166.2	176.5	0	0	0	0	108.7	E18 E22	E18-S20 PolarHBondContact O-N 2.91Å; E18-S20 VanDerWaalsContact O-N 3.09Å; S20-E22 PolarHBondContact O-N 3.4Å; S20-E22 WeakPolarHBondContact OG-CG 3.47Å
21	Y	76.5	Confident	79	Confident	97 Å²	97	101.6 Å²	101.6	38%	0.38	62%	0.617	S	S	.	*			trans	-83.8	98.8	169.8	57.7	-89.8	0	0	0	108.1	A19 A45 Y115	A19-Y21 PolarHBondContact O-N 2.95Å; Y21-A45 HydrophobicContact CD2-CB 4.21Å; Y21-A45 HydrophobicContact CG-CB 4.11Å; Y21-Y115 PolarHBondContact OH-OXT 2.89Å
22	E	90.2	Very high	80.7	Confident	146 Å²	146	98.4 Å²	98.4	68%	0.682	61%	0.607	S	S	*	*			trans	-87.3	139.4	178.2	-64.5	-168	163.7	0	0	111.1	S20	S20-E22 PolarHBondContact O-N 3.4Å; S20-E22 WeakPolarHBondContact OG-CG 3.47Å
23	L	95.5	Very high	82.3	Confident	52 Å²	52	98.8 Å²	98.8	27%	0.272	60%	0.604	S	S	.	*			trans	-103.2	134	170.4	-62.4	178.6	0	0	0	108.7	S42 L46 C106	L23-S42 CarbonylContact C-O 3.57Å; L23-S42 WeakPolarHBondContact CA-O 3.49Å; L23-L46 HydrophobicContact CD2-CD1 4.12Å; L23-L46 HydrophobicContact CD2-CD2 4.09Å; L23-L46 HydrophobicContact CD2-CG 3.98Å; L23-C106 WeakPolarHBondContact CD1-O 3.03Å
24	T	97.2	Very high	83.9	Confident	86 Å²	86	94.8 Å²	94.8	53%	0.528	60%	0.597	S	S	.	*	B	Isolated β-bridge	trans	-115.8	132.2	178.6	-57.1	0	0	0	0	110.3	C41 S42	T24-C41 CarbonylContact O-C 3.5Å; T24-C41 VanDerWaalsContact O-CA 3.31Å; T24-C41 WeakPolarHBondContact O-CA 3.36Å; T24-S42 PolarHBondContact N-O 2.78Å; T24-S42 PolarHBondContact O-N 2.87Å
25	Q	98	Very high	85.5	Confident	58 Å²	58	93.7 Å²	93.7	27%	0.271	58%	0.579	S	S	.	*			trans	-125.7	154.8	175.7	-75	-179.9	-122.5	0	0	110.3	C41 Y104 C106	Q25-C41 HydrophobicContact CG-CB 3.9Å; Q25-Y104 PolarHBondContact NE2-O 3.11Å; Q25-C106 HydrophobicContact CG-CB 4.26Å
26	P	98	Very high	87.3	Confident	46 Å²	46	93.1 Å²	93.1	30%	0.299	57%	0.569	S	S	.	*			trans	-62	144.5	167.3	28.7	-33.6	0	0	0	109.5	S28 V29 T40	P26-S28 PolarHBondContact O-N 3.28Å; P26-V29 HydrophobicContact CG-CG2 3.93Å; P26-T40 WeakPolarHBondContact CD-O 3.38Å
27	P	97.5	Very high	89.2	Confident	139 Å²	139	90.3 Å²	90.3	90%	0.903	54%	0.539	S	S	*	.	S	Bend	trans	-67	-26.9	-177.8	27.2	-35.3	0	0	0	112.9
28	S	97.6	Very high	91	Very high	90 Å²	90	91.6 Å²	91.6	63%	0.629	53%	0.527	S	S	*	.			trans	-157.3	156.2	174.2	62.3	0	0	0	0	111.2	P26	P26-S28 PolarHBondContact O-N 3.28Å
29	V	97.8	Very high	93	Very high	63 Å²	63	83.9 Å²	83.9	38%	0.382	49%	0.491	S	S	.	.			trans	-133.6	130	169.4	177.9	0	0	0	0	107.1	P26 V31 I39	P26-V29 HydrophobicContact CG-CG2 3.93Å; V29-V31 HydrophobicContact CG1-CG1 4.42Å; V29-I39 HydrophobicContact CB-CG1 4.5Å; V29-I39 HydrophobicContact CG2-CG1 4.25Å
30	S	97.4	Very high	94.9	Very high	112 Å²	112	82.5 Å²	82.5	78%	0.783	47%	0.474	S	S	*	.			trans	-127.8	130.6	178.9	-56.6	0	0	0	0	109.9
31	V	97.7	Very high	96.5	Very high	58 Å²	58	78.3 Å²	78.3	35%	0.352	44%	0.444	S	S	.	.			trans	-141.3	158.5	178.8	-61.5	0	0	0	0	110.2	V29 Q35 A37 V96	V29-V31 HydrophobicContact CG1-CG1 4.42Å; V31-Q35 HydrophobicContact CB-CB 4.42Å; V31-A37 HydrophobicContact CG1-CB 4.31Å; V31-A37 HydrophobicContact CG2-CB 3.92Å; V31-V96 HydrophobicContact CG2-CB 4.07Å; V31-V96 HydrophobicContact CG2-CG1 4.07Å; V31-V96 HydrophobicContact CG2-CG2 3.76Å
32	S	98.2	Very high	97.5	Very high	77 Å²	77	75.8 Å²	75.8	54%	0.538	44%	0.441	S	S	.	.			trans	-76.8	154	173.8	-57.9	0	0	0	0	111.3	G34 Q35	S32-G34 PolarHBondContact O-N 3.04Å; S32-Q35 VanDerWaalsContact CB-OE1 3.3Å; S32-Q35 VanDerWaalsContact N-OE1 3.08Å; S32-Q35 VanDerWaalsContact O-CB 3.29Å; S32-Q35 WeakPolarHBondContact O-CB 3.46Å; S32-Q35 PolarHBondContact O-N 2.8Å; S32-Q35 PolarHBondContact OG-OE1 2.94Å
33	L	98.3	Very high	97.8	Very high	122 Å²	122	69.2 Å²	69.2	64%	0.639	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	139	173.9	-62.8	178.8	0	0	0	111.2	Q35 V96 A98	L33-Q35 PolarHBondContact O-N 3.26Å; L33-V96 WeakPolarHBondContact CA-O 3.34Å; L33-A98 HydrophobicContact CD2-CB 4.42Å
34	G	98.3	Very high	97.7	Very high	56 Å²	56	74 Å²	74	58%	0.577	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-10.8	-176.1	0	0	0	0	0	114.9	S32 V96	S32-G34 PolarHBondContact O-N 3.04Å; G34-V96 PolarHBondContact N-O 2.88Å
35	Q	98.5	Very high	97.4	Very high	106 Å²	106	70.6 Å²	70.6	50%	0.495	41%	0.414	S	S	.	.	S	Bend	trans	-80.9	173.4	174.1	-61.2	-167.7	-63.2	0	0	111.9	V31 S32 L33 G95 V96	V31-Q35 HydrophobicContact CB-CB 4.42Å; S32-Q35 VanDerWaalsContact CB-OE1 3.3Å; S32-Q35 VanDerWaalsContact N-OE1 3.08Å; S32-Q35 VanDerWaalsContact O-CB 3.29Å; S32-Q35 WeakPolarHBondContact O-CB 3.46Å; S32-Q35 PolarHBondContact O-N 2.8Å; S32-Q35 PolarHBondContact OG-OE1 2.94Å; L33-Q35 PolarHBondContact O-N 3.26Å; Q35-G95 PolarHBondContact O-N 3.43Å; Q35-V96 WeakPolarHBondContact O-CG2 3.4Å; Q35-V96 PolarHBondContact O-N 3.34Å
36	M	98.5	Very high	97.2	Very high	110 Å²	110	68.2 Å²	68.2	54%	0.542	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-93	126.1	175.2	-177.8	-176.9	-67.2	0	0	110.1	R38 T92 I93	M36-R38 HydrophobicContact CG-CG 4.47Å; M36-R38 HydrophobicContact SD-CG 4.45Å; M36-T92 HydrophobicContact CE-CG2 4.47Å; M36-T92 HydrophobicContact CG-CG2 3.79Å; M36-T92 HydrophobicContact SD-CG2 3.8Å; M36-I93 WeakPolarHBondContact CA-O 3.11Å
37	A	98.4	Very high	97	Very high	7 Å²	7	69.7 Å²	69.7	6%	0.058	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	141.8	166.7	0	0	0	0	0	110.5	V31 T92 I93 V96	V31-A37 HydrophobicContact CG1-CB 4.31Å; V31-A37 HydrophobicContact CG2-CB 3.92Å; A37-T92 WeakPolarHBondContact O-CA 3.39Å; A37-I93 HydrophobicContact CB-CB 4.37Å; A37-I93 PolarHBondContact N-O 3.18Å; A37-I93 PolarHBondContact O-N 3.33Å; A37-V96 HydrophobicContact CB-CG2 3.73Å
38	R	98.4	Very high	96.7	Very high	142 Å²	142	72 Å²	72	54%	0.536	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.8	170.7	-64.8	178.3	71.1	101.2	1.6	108.6	M36 T90 L91 T92	M36-R38 HydrophobicContact CG-CG 4.47Å; M36-R38 HydrophobicContact SD-CG 4.45Å; R38-T90 HydrophobicContact CB-CG2 4.08Å; R38-T90 HydrophobicContact CG-CG2 4.5Å; R38-L91 WeakPolarHBondContact CA-O 3.23Å; R38-T92 HydrophobicContact CG-CG2 4.5Å
39	I	98.5	Very high	96.4	Very high	16 Å²	16	69.7 Å²	69.7	8%	0.082	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.5	176.9	-50.3	177.1	0	0	0	107.1	V29 W53 T90 L91 Y104	V29-I39 HydrophobicContact CB-CG1 4.5Å; V29-I39 HydrophobicContact CG2-CG1 4.25Å; I39-W53 HydrophobicContact CB-CH2 4.17Å; I39-W53 HydrophobicContact CB-CZ3 4.15Å; I39-W53 HydrophobicContact CG2-CH2 3.88Å; I39-W53 HydrophobicContact CG2-CZ3 3.73Å; I39-W53 VanDerWaalsContact O-CH2 3.29Å; I39-W53 WeakPolarHBondContact O-CH2 3.05Å; I39-T90 CarbonylContact O-C 3.56Å; I39-T90 VanDerWaalsContact O-CA 3.3Å; I39-T90 WeakPolarHBondContact O-CA 3.38Å; I39-L91 HydrophobicContact CB-CB 4.41Å; I39-L91 HydrophobicContact CD1-CD2 4.44Å; I39-L91 PolarHBondContact N-O 2.94Å; I39-L91 PolarHBondContact O-N 2.84Å; I39-Y104 HydrophobicContact CD1-CD1 4.26Å; I39-Y104 HydrophobicContact CD1-CD2 3.56Å; I39-Y104 HydrophobicContact CD1-CE2 4.15Å; I39-Y104 HydrophobicContact CD1-CG 3.6Å
40	T	98.5	Very high	96.3	Very high	61 Å²	61	71 Å²	71	37%	0.374	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147	-178.4	55.3	0	0	0	0	111.1	P26 I88 V89 T90	P26-T40 WeakPolarHBondContact CD-O 3.38Å; T40-I88 HydrophobicContact CG2-CG2 4.44Å; T40-V89 CarbonylContact C-O 3.54Å; T40-V89 WeakPolarHBondContact CA-O 3.37Å; T40-T90 HydrophobicContact CG2-CG2 4.31Å
41	C	98.2	Very high	96.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.6	172.4	167.1	0	0	0	0	108	T24 Q25 W53 I88 V89 C106	T24-C41 CarbonylContact O-C 3.5Å; T24-C41 VanDerWaalsContact O-CA 3.31Å; T24-C41 WeakPolarHBondContact O-CA 3.36Å; Q25-C41 HydrophobicContact CG-CB 3.9Å; C41-W53 HydrophobicContact CB-CH2 3.73Å; C41-W53 HydrophobicContact CB-CZ2 3.87Å; C41-I88 CarbonylContact O-C 3.14Å; C41-I88 WeakPolarHBondContact O-CA 3.28Å; C41-V89 HydrophobicContact CB-CG2 3.69Å; C41-V89 PolarHBondContact N-O 2.87Å; C41-V89 PolarHBondContact O-N 3.37Å; C41-C106 HydrophobicContact CB-CB 3.34Å; C41-C106 WeakPolarHBondContact CB-SG 2.98Å; C41-C106 WeakPolarHBondContact SG-CB 3.35Å; C41-C106 CovalentContact SG-SG 2.04Å; C41-C106 PolarHBondContact SG-SG 2.55Å
42	S	97.7	Very high	96.2	Very high	45 Å²	45	64.2 Å²	64.2	32%	0.315	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.7	-179.7	60.4	0	0	0	0	111.9	L23 T24 T87	L23-S42 CarbonylContact C-O 3.57Å; L23-S42 WeakPolarHBondContact CA-O 3.49Å; T24-S42 PolarHBondContact N-O 2.78Å; T24-S42 PolarHBondContact O-N 2.87Å; S42-T87 CarbonylContact C-O 3.55Å; S42-T87 WeakPolarHBondContact CA-O 3.5Å
43	G	95.5	Very high	96.2	Very high	8 Å²	8	60.6 Å²	60.6	8%	0.082	31%	0.311	C	S	.	.			trans	178.5	145.8	177.2	0	0	0	0	0	113.3	A45 L46 T87	G43-A45 PolarHBondContact O-N 2.98Å; G43-L46 WeakPolarHBondContact O-CB 3.37Å; G43-L46 PolarHBondContact O-N 2.89Å; G43-T87 PolarHBondContact N-O 2.84Å; G43-T87 WeakPolarHBondContact O-CB 2.92Å
44	E	93.3	Very high	96.2	Very high	151 Å²	151	57.8 Å²	57.8	71%	0.706	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.2	-173.5	-65.6	-58.3	128.6	0	0	113.9	P47	E44-P47 WeakPolarHBondContact O-CD 3Å
45	A	90.9	Very high	96.2	Very high	15 Å²	15	56.3 Å²	56.3	12%	0.124	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-20.1	178	0	0	0	0	0	113.5	Y21 G43 P47 K48 K49	Y21-A45 HydrophobicContact CD2-CB 4.21Å; Y21-A45 HydrophobicContact CG-CB 4.11Å; G43-A45 PolarHBondContact O-N 2.98Å; A45-P47 VanDerWaalsContact C-CD 3.42Å; A45-K48 PolarHBondContact O-N 3.12Å; A45-K49 HydrophobicContact CB-CD 4.32Å; A45-K49 PolarHBondContact O-N 2.86Å; A45-K49 VanDerWaalsContact O-N 3.15Å
46	L	93.3	Very high	96.2	Very high	8 Å²	8	54 Å²	54	4%	0.042	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.5	-34.1	-174.6	-67.6	168.4	0	0	0	114.5	L23 G43 K48 A51 T87 V89	L23-L46 HydrophobicContact CD2-CD1 4.12Å; L23-L46 HydrophobicContact CD2-CD2 4.09Å; L23-L46 HydrophobicContact CD2-CG 3.98Å; G43-L46 WeakPolarHBondContact O-CB 3.37Å; G43-L46 PolarHBondContact O-N 2.89Å; L46-K48 PolarHBondContact O-N 2.88Å; L46-A51 HydrophobicContact CD2-CB 4.1Å; L46-T87 WeakPolarHBondContact CD1-O 3.4Å; L46-V89 HydrophobicContact CB-CG1 4.43Å; L46-V89 HydrophobicContact CD1-CG1 4.14Å; L46-V89 HydrophobicContact CD1-CG2 4.04Å; L46-V89 HydrophobicContact CD2-CG1 4.09Å; L46-V89 HydrophobicContact CD2-CG2 4.18Å; L46-V89 HydrophobicContact CG-CG1 4.46Å
47	P	93.5	Very high	96.1	Very high	78 Å²	78	51.3 Å²	51.3	51%	0.506	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-67	-17	174.6	-20.4	31.7	0	0	0	114.4	E44 A45 T87	E44-P47 WeakPolarHBondContact O-CD 3Å; A45-P47 VanDerWaalsContact C-CD 3.42Å; P47-T87 HydrophobicContact CG-CG2 3.74Å
48	K	91.9	Very high	96.1	Very high	187 Å²	187	56.5 Å²	56.5	81%	0.813	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-112.2	-6	-173.9	-60.7	177.8	-176.3	171.5	0	113	A45 L46	A45-K48 PolarHBondContact O-N 3.12Å; L46-K48 PolarHBondContact O-N 2.88Å
49	K	92.4	Very high	96	Very high	42 Å²	42	54.2 Å²	54.2	18%	0.183	30%	0.299	C	S	.	.	S	Bend	trans	-135.7	164	-174.6	-73.5	-169.4	174.3	-168.9	0	108.5	A45 S108 Y115	A45-K49 HydrophobicContact CB-CD 4.32Å; A45-K49 PolarHBondContact O-N 2.86Å; A45-K49 VanDerWaalsContact O-N 3.15Å; K49-S108 WeakPolarHBondContact CB-OG 3.26Å; K49-Y115 PolarHBondContact NZ-OXT 2.83Å
50	Y	94.2	Very high	95.9	Very high	91 Å²	91	58.6 Å²	58.6	36%	0.357	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	146.1	171.4	-72	-67.2	0	0	0	111	K68 D69 S108 A109	Y50-K68 HydrophobicContact CD1-CB 3.8Å; Y50-K68 HydrophobicContact CD1-CG 3.98Å; Y50-K68 HydrophobicContact CD2-CG 4.21Å; Y50-K68 HydrophobicContact CE1-CB 4.15Å; Y50-K68 HydrophobicContact CE1-CG 4.3Å; Y50-K68 HydrophobicContact CG-CB 4.2Å; Y50-K68 HydrophobicContact CG-CG 3.93Å; Y50-D69 WeakPolarHBondContact CD1-OD2 3.38Å; Y50-S108 WeakPolarHBondContact O-CA 3.39Å; Y50-A109 WeakPolarHBondContact CB-O 3.2Å; Y50-A109 PolarHBondContact N-O 2.89Å; Y50-A109 PolarHBondContact O-N 2.71Å
51	A	95.8	Very high	95.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	145.2	165.4	0	0	0	0	0	112.3	L46 K68 D69 V89 L107	L46-A51 HydrophobicContact CD2-CB 4.1Å; A51-K68 PolarHBondContact O-N 2.8Å; A51-D69 VanDerWaalsContact CB-OD1 3.28Å; A51-D69 WeakPolarHBondContact CB-OD1 3.46Å; A51-D69 PolarHBondContact N-OD1 3.39Å; A51-D69 PolarHBondContact O-N 2.97Å; A51-V89 HydrophobicContact CB-CB 3.94Å; A51-V89 HydrophobicContact CB-CG1 3.69Å; A51-V89 HydrophobicContact CB-CG2 3.74Å; A51-L107 CarbonylContact C-O 3.53Å; A51-L107 WeakPolarHBondContact CA-O 3.3Å
52	Y	97.1	Very high	95.8	Very high	27 Å²	27	66.4 Å²	66.4	11%	0.106	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.4	173.7	-61.4	-108.1	0	0	0	108.2	L64 I66 C106 L107 A109	Y52-L64 HydrophobicContact CD1-CD1 3.96Å; Y52-I66 CarbonylContact C-O 3.56Å; Y52-I66 WeakPolarHBondContact CA-O 3.29Å; Y52-C106 WeakPolarHBondContact O-CA 3.4Å; Y52-L107 PolarHBondContact N-O 2.9Å; Y52-L107 PolarHBondContact O-N 2.79Å; Y52-A109 HydrophobicContact CD2-CB 4.33Å; Y52-A109 HydrophobicContact CE2-CB 3.92Å
53	W	98.3	Very high	95.8	Very high	1 Å²	1	66.9 Å²	66.9	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.8	176.5	-70.6	91.1	0	0	0	109.9	I39 C41 V65 I66 V89 L91 Y105 C106	I39-W53 HydrophobicContact CB-CH2 4.17Å; I39-W53 HydrophobicContact CB-CZ3 4.15Å; I39-W53 HydrophobicContact CG2-CH2 3.88Å; I39-W53 HydrophobicContact CG2-CZ3 3.73Å; I39-W53 VanDerWaalsContact O-CH2 3.29Å; I39-W53 WeakPolarHBondContact O-CH2 3.05Å; C41-W53 HydrophobicContact CB-CH2 3.73Å; C41-W53 HydrophobicContact CB-CZ2 3.87Å; W53-V65 HydrophobicContact CB-CG2 3.66Å; W53-V65 VanDerWaalsContact O-CG2 3.28Å; W53-V65 WeakPolarHBondContact O-CG2 3.29Å; W53-V65 PolarHBondContact O-N 2.82Å; W53-I66 HydrophobicContact CB-CB 4.11Å; W53-I66 HydrophobicContact CG-CB 4.43Å; W53-I66 PolarHBondContact N-O 2.82Å; W53-I66 PolarHBondContact O-N 3.48Å; W53-V89 HydrophobicContact CZ2-CG2 4Å; W53-L91 HydrophobicContact CB-CD1 4.28Å; W53-L91 HydrophobicContact CB-CD2 4.28Å; W53-L91 HydrophobicContact CD2-CB 3.56Å; W53-L91 HydrophobicContact CD2-CD2 4.12Å; W53-L91 HydrophobicContact CD2-CG 4.29Å; W53-L91 HydrophobicContact CE3-CB 3.8Å; W53-L91 HydrophobicContact CE3-CD2 3.9Å; W53-L91 HydrophobicContact CE3-CG 4.46Å; W53-L91 HydrophobicContact CG-CB 4.02Å; W53-L91 HydrophobicContact CG-CD1 4.16Å; W53-L91 HydrophobicContact CG-CD2 4.3Å; W53-L91 HydrophobicContact CG-CG 4.4Å; W53-L91 HydrophobicContact CH2-CB 4.08Å; W53-L91 HydrophobicContact CZ2-CB 3.86Å; W53-L91 HydrophobicContact CZ3-CB 4.06Å; W53-Y105 CarbonylContact C-O 3.59Å; W53-Y105 WeakPolarHBondContact CA-O 3.4Å; W53-C106 HydrophobicContact CE3-CB 4.27Å; W53-C106 HydrophobicContact CH2-CB 4.15Å; W53-C106 HydrophobicContact CZ2-CB 4.41Å; W53-C106 HydrophobicContact CZ3-CB 4.07Å
54	Y	98.1	Very high	95.9	Very high	62 Å²	62	68.9 Å²	68.9	24%	0.243	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.6	175.2	-67.1	-97.6	0	0	0	110.2	P62 V63 L64 Y104 Y105 L107	Y54-P62 HydrophobicContact CD1-CB 4.21Å; Y54-V63 CarbonylContact C-O 3.51Å; Y54-V63 VanDerWaalsContact CA-O 3.23Å; Y54-V63 WeakPolarHBondContact CA-O 3.32Å; Y54-L64 HydrophobicContact CD1-CB 4.16Å; Y54-L64 HydrophobicContact CD1-CD1 4.46Å; Y54-L64 HydrophobicContact CD2-CD1 4.46Å; Y54-L64 HydrophobicContact CE1-CB 3.85Å; Y54-L64 HydrophobicContact CE1-CD1 4Å; Y54-L64 HydrophobicContact CE2-CD1 3.98Å; Y54-Y104 CarbonylContact O-C 3.59Å; Y54-Y104 WeakPolarHBondContact O-CA 3.26Å; Y54-Y105 PolarHBondContact N-O 2.61Å; Y54-Y105 PolarHBondContact O-N 2.78Å; Y54-L107 HydrophobicContact CE2-CB 4.27Å; Y54-L107 HydrophobicContact CE2-CD2 4.01Å
55	Q	98.5	Very high	96.2	Very high	26 Å²	26	61.7 Å²	61.7	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.2	170.1	-175.2	-172.3	44.2	0	0	108.8	P62 V63 V65 A102 Y104	Q55-P62 WeakPolarHBondContact O-CA 3.38Å; Q55-V63 PolarHBondContact N-O 3.12Å; Q55-V63 PolarHBondContact O-N 3.5Å; Q55-V65 HydrophobicContact CB-CG1 3.68Å; Q55-A102 HydrophobicContact CG-CB 3.38Å; Q55-Y104 HydrophobicContact CB-CD1 4.16Å; Q55-Y104 HydrophobicContact CB-CE1 3.82Å; Q55-Y104 HydrophobicContact CG-CD1 4.34Å; Q55-Y104 HydrophobicContact CG-CE1 3.73Å; Q55-Y104 PolarHBondContact NE2-OH 2.97Å
56	Q	98.4	Very high	96.5	Very high	56 Å²	56	61 Å²	61	26%	0.262	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	115.2	173.4	-172.4	178.4	18.5	0	0	110.3	Q60 P62 A102 D103 Y105	Q56-Q60 WeakPolarHBondContact CG-O 2.94Å; Q56-Q60 PolarHBondContact NE2-O 3.02Å; Q56-Q60 VanDerWaalsContact NE2-O 3.12Å; Q56-P62 HydrophobicContact CB-CB 4.44Å; Q56-P62 HydrophobicContact CB-CG 4.29Å; Q56-P62 HydrophobicContact CG-CG 4.22Å; Q56-A102 WeakPolarHBondContact O-CA 3.49Å; Q56-A102 WeakPolarHBondContact O-CB 3.4Å; Q56-D103 HydrophobicContact CB-CB 4.41Å; Q56-D103 PolarHBondContact N-O 3.02Å; Q56-D103 PolarHBondContact O-N 3.08Å; Q56-Y105 HydrophobicContact CB-CD2 4.37Å; Q56-Y105 HydrophobicContact CB-CE2 3.82Å; Q56-Y105 VanDerWaalsContact OE1-CE2 3.28Å; Q56-Y105 PolarHBondContact OE1-OH 3.3Å
57	K	97.6	Very high	96.7	Very high	55 Å²	55	63.6 Å²	63.6	24%	0.239	33%	0.334	C	S	.	.			trans	-84.7	154.9	172.8	-66.6	-179.2	178.7	-170.3	0	110.5	G59 Q60 E99 A102	K57-G59 PolarHBondContact O-N 3.29Å; K57-Q60 HydrophobicContact CB-CB 4.21Å; K57-Q60 HydrophobicContact CB-CG 4.17Å; K57-Q60 PolarHBondContact O-N 3.43Å; K57-E99 WeakPolarHBondContact CE-O 3.31Å; K57-E99 PolarHBondContact NZ-O 2.83Å; K57-A102 HydrophobicContact CG-CB 4.11Å
58	P	97	Very high	96.8	Very high	116 Å²	116	63.3 Å²	63.3	75%	0.753	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	124	176.8	-28.2	35.5	0	0	0	112.3	Q60	P58-Q60 VanDerWaalsContact C-N 3.26Å; P58-Q60 PolarHBondContact O-N 3.48Å
59	G	96.9	Very high	97	Very high	93 Å²	93	56.1 Å²	56.1	96%	0.959	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	7.4	-179.9	0	0	0	0	0	115.7	K57	K57-G59 PolarHBondContact O-N 3.29Å
60	Q	97	Very high	97.2	Very high	108 Å²	108	57.8 Å²	57.8	51%	0.505	31%	0.312	S	S	.	.	S	Bend	trans	-111	160.7	177.7	-59.9	-172.7	2.2	0	0	111.6	Q56 K57 P58	Q56-Q60 WeakPolarHBondContact CG-O 2.94Å; Q56-Q60 PolarHBondContact NE2-O 3.02Å; Q56-Q60 VanDerWaalsContact NE2-O 3.12Å; K57-Q60 HydrophobicContact CB-CB 4.21Å; K57-Q60 HydrophobicContact CB-CG 4.17Å; K57-Q60 PolarHBondContact O-N 3.43Å; P58-Q60 VanDerWaalsContact C-N 3.26Å; P58-Q60 PolarHBondContact O-N 3.48Å
61	F	96.8	Very high	97.4	Very high	163 Å²	163	57.3 Å²	57.3	72%	0.715	31%	0.313	S	S	*	.			trans	-75.8	152	171.1	58.3	-91.3	0	0	0	110.6	V63	F61-V63 HydrophobicContact CD2-CG2 4.18Å; F61-V63 HydrophobicContact CE2-CG2 3.86Å; F61-V63 PolarHBondContact O-N 2.93Å
62	P	97.5	Very high	97.4	Very high	62 Å²	62	61.6 Å²	61.6	40%	0.403	33%	0.33	S	S	.	.			trans	-61.3	134.3	175	-23.3	33.6	0	0	0	112.8	Y54 Q55 Q56	Y54-P62 HydrophobicContact CD1-CB 4.21Å; Q55-P62 WeakPolarHBondContact O-CA 3.38Å; Q56-P62 HydrophobicContact CB-CB 4.44Å; Q56-P62 HydrophobicContact CB-CG 4.29Å; Q56-P62 HydrophobicContact CG-CG 4.22Å
63	V	97.8	Very high	97.4	Very high	55 Å²	55	61.9 Å²	61.9	33%	0.333	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.2	177.6	178.1	0	0	0	0	109.6	Y54 Q55 F61 V65 I76	Y54-V63 CarbonylContact C-O 3.51Å; Y54-V63 VanDerWaalsContact CA-O 3.23Å; Y54-V63 WeakPolarHBondContact CA-O 3.32Å; Q55-V63 PolarHBondContact N-O 3.12Å; Q55-V63 PolarHBondContact O-N 3.5Å; F61-V63 HydrophobicContact CD2-CG2 4.18Å; F61-V63 HydrophobicContact CE2-CG2 3.86Å; F61-V63 PolarHBondContact O-N 2.93Å; V63-V65 PolarHBondContact O-N 2.84Å; V63-I76 HydrophobicContact CG1-CD1 4.39Å
64	L	97.9	Very high	97.4	Very high	50 Å²	50	68.1 Å²	68.1	26%	0.262	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	123.2	176.4	-178.7	66.9	0	0	0	110.6	Y52 Y54 I66 Y67 P73	Y52-L64 HydrophobicContact CD1-CD1 3.96Å; Y54-L64 HydrophobicContact CD1-CB 4.16Å; Y54-L64 HydrophobicContact CD1-CD1 4.46Å; Y54-L64 HydrophobicContact CD2-CD1 4.46Å; Y54-L64 HydrophobicContact CE1-CB 3.85Å; Y54-L64 HydrophobicContact CE1-CD1 4Å; Y54-L64 HydrophobicContact CE2-CD1 3.98Å; L64-I66 VanDerWaalsContact CD1-O 3.26Å; L64-I66 WeakPolarHBondContact CD1-O 3.47Å; L64-Y67 HydrophobicContact CD2-CD1 4.5Å; L64-P73 HydrophobicContact CD2-CG 4.06Å; L64-P73 HydrophobicContact CG-CG 4.02Å
65	V	98.3	Very high	97.3	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.006	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-33.8	179.2	-62.8	0	0	0	0	113.3	W53 Q55 V63 P73 I76 F80 L91	W53-V65 HydrophobicContact CB-CG2 3.66Å; W53-V65 VanDerWaalsContact O-CG2 3.28Å; W53-V65 WeakPolarHBondContact O-CG2 3.29Å; W53-V65 PolarHBondContact O-N 2.82Å; Q55-V65 HydrophobicContact CB-CG1 3.68Å; V63-V65 PolarHBondContact O-N 2.84Å; V65-P73 VanDerWaalsContact O-CD 3.29Å; V65-P73 WeakPolarHBondContact O-CD 3.31Å; V65-I76 HydrophobicContact CB-CG2 4.23Å; V65-I76 HydrophobicContact CG1-CD1 4.28Å; V65-F80 HydrophobicContact CB-CD1 4.44Å; V65-L91 HydrophobicContact CG2-CD1 4.3Å; V65-L91 HydrophobicContact CG2-CD2 4.27Å
66	I	98.4	Very high	97.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.6	173.5	-60.5	-66.4	0	0	0	108.5	Y52 W53 L64 E71 R72 L91	Y52-I66 CarbonylContact C-O 3.56Å; Y52-I66 WeakPolarHBondContact CA-O 3.29Å; W53-I66 HydrophobicContact CB-CB 4.11Å; W53-I66 HydrophobicContact CG-CB 4.43Å; W53-I66 PolarHBondContact N-O 2.82Å; W53-I66 PolarHBondContact O-N 3.48Å; L64-I66 VanDerWaalsContact CD1-O 3.26Å; L64-I66 WeakPolarHBondContact CD1-O 3.47Å; I66-E71 CarbonylContact C-O 3.59Å; I66-E71 VanDerWaalsContact CA-O 3.31Å; I66-E71 WeakPolarHBondContact CA-O 3.46Å; I66-R72 HydrophobicContact CD1-CB 4.1Å; I66-R72 HydrophobicContact CD1-CG 4.45Å; I66-L91 HydrophobicContact CG1-CD1 3.58Å
67	Y	96.5	Very high	97.3	Very high	63 Å²	63	68.4 Å²	68.4	25%	0.247	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-129.9	160.4	172.3	69.6	-81.9	0	0	0	110.5	L64 D69 S70 E71 P73	L64-Y67 HydrophobicContact CD2-CD1 4.5Å; Y67-D69 PolarHBondContact O-N 2.78Å; Y67-S70 PolarHBondContact O-N 3.02Å; Y67-E71 HydrophobicContact CD1-CB 3.92Å; Y67-E71 VanDerWaalsContact CD1-O 3.32Å; Y67-E71 WeakPolarHBondContact CD1-O 3.2Å; Y67-E71 HydrophobicContact CD2-CB 3.94Å; Y67-E71 HydrophobicContact CE1-CB 3.52Å; Y67-E71 HydrophobicContact CE2-CB 3.52Å; Y67-E71 VanDerWaalsContact CE2-CD 3.41Å; Y67-E71 HydrophobicContact CE2-CG 4.06Å; Y67-E71 WeakPolarHBondContact CE2-OE2 3.4Å; Y67-E71 HydrophobicContact CG-CB 4.11Å; Y67-E71 PolarHBondContact N-O 3.1Å; Y67-E71 WeakPolarHBondContact O-CA 3.36Å; Y67-E71 WeakPolarHBondContact O-CB 3.32Å; Y67-E71 PolarHBondContact O-N 3.1Å; Y67-E71 PolarHBondContact OH-OE2 3.41Å; Y67-P73 HydrophobicContact CD1-CG 3.8Å; Y67-P73 HydrophobicContact CE1-CG 4.09Å
68	K	95.7	Very high	97.3	Very high	72 Å²	72	73.9 Å²	73.9	31%	0.313	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	50.8	178.9	-69.1	175.2	-177.8	-179.6	0	112	Y50 A51 S70 E71	Y50-K68 HydrophobicContact CD1-CB 3.8Å; Y50-K68 HydrophobicContact CD1-CG 3.98Å; Y50-K68 HydrophobicContact CD2-CG 4.21Å; Y50-K68 HydrophobicContact CE1-CB 4.15Å; Y50-K68 HydrophobicContact CE1-CG 4.3Å; Y50-K68 HydrophobicContact CG-CB 4.2Å; Y50-K68 HydrophobicContact CG-CG 3.93Å; A51-K68 PolarHBondContact O-N 2.8Å; K68-S70 PolarHBondContact O-N 3.3Å; K68-E71 HydrophobicContact CB-CG 4.39Å; K68-E71 VanDerWaalsContact CD-OE1 3.26Å; K68-E71 WeakPolarHBondContact CD-OE1 3.32Å
69	D	96.3	Very high	97.3	Very high	35 Å²	35	70.1 Å²	70.1	19%	0.187	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	-34.8	178.6	-58.5	-48.2	0	0	0	117.2	Y50 A51 Y67 G82 S83 S84	Y50-D69 WeakPolarHBondContact CD1-OD2 3.38Å; A51-D69 VanDerWaalsContact CB-OD1 3.28Å; A51-D69 WeakPolarHBondContact CB-OD1 3.46Å; A51-D69 PolarHBondContact N-OD1 3.39Å; A51-D69 PolarHBondContact O-N 2.97Å; Y67-D69 PolarHBondContact O-N 2.78Å; D69-G82 CarbonylContact O-C 3.59Å; D69-G82 VanDerWaalsContact O-CA 3.24Å; D69-G82 WeakPolarHBondContact O-CA 3.38Å; D69-S83 PolarHBondContact O-N 2.85Å; D69-S84 WeakPolarHBondContact CB-OG 3.42Å; D69-S84 PolarHBondContact OD1-OG 3.42Å; D69-S84 VanDerWaalsContact OD1-OG 3.13Å
70	S	97.4	Very high	97.4	Very high	78 Å²	78	65.9 Å²	65.9	55%	0.545	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.8	-10.5	-169.3	61.5	0	0	0	0	114.9	Y67 K68	Y67-S70 PolarHBondContact O-N 3.02Å; K68-S70 PolarHBondContact O-N 3.3Å
71	E	97.3	Very high	97.5	Very high	80 Å²	80	63.3 Å²	63.3	37%	0.374	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-79	141.8	-179.4	-60.3	-176.7	-128.2	0	0	110.4	I66 Y67 K68	I66-E71 CarbonylContact C-O 3.59Å; I66-E71 VanDerWaalsContact CA-O 3.31Å; I66-E71 WeakPolarHBondContact CA-O 3.46Å; Y67-E71 HydrophobicContact CD1-CB 3.92Å; Y67-E71 VanDerWaalsContact CD1-O 3.32Å; Y67-E71 WeakPolarHBondContact CD1-O 3.2Å; Y67-E71 HydrophobicContact CD2-CB 3.94Å; Y67-E71 HydrophobicContact CE1-CB 3.52Å; Y67-E71 HydrophobicContact CE2-CB 3.52Å; Y67-E71 VanDerWaalsContact CE2-CD 3.41Å; Y67-E71 HydrophobicContact CE2-CG 4.06Å; Y67-E71 WeakPolarHBondContact CE2-OE2 3.4Å; Y67-E71 HydrophobicContact CG-CB 4.11Å; Y67-E71 PolarHBondContact N-O 3.1Å; Y67-E71 WeakPolarHBondContact O-CA 3.36Å; Y67-E71 WeakPolarHBondContact O-CB 3.32Å; Y67-E71 PolarHBondContact O-N 3.1Å; Y67-E71 PolarHBondContact OH-OE2 3.41Å; K68-E71 HydrophobicContact CB-CG 4.39Å; K68-E71 VanDerWaalsContact CD-OE1 3.26Å; K68-E71 WeakPolarHBondContact CD-OE1 3.32Å
72	R	97.4	Very high	97.6	Very high	91 Å²	91	56.1 Å²	56.1	34%	0.343	33%	0.325	S	S	.	.			trans	-117.1	124.9	-175.3	179.4	156.7	39.2	88.6	6.4	110.1	I66 I76 P77 E78 F80	I66-R72 HydrophobicContact CD1-CB 4.1Å; I66-R72 HydrophobicContact CD1-CG 4.45Å; R72-I76 HydrophobicContact CG-CB 3.59Å; R72-I76 HydrophobicContact CG-CG1 4.46Å; R72-I76 HydrophobicContact CG-CG2 3.78Å; R72-I76 PolarHBondContact NH1-O 3.21Å; R72-P77 WeakPolarHBondContact CD-O 3.45Å; R72-P77 PolarHBondContact NH1-O 2.04Å; R72-E78 VanDerWaalsContact CZ-CA 3.45Å; R72-E78 VanDerWaalsContact NH1-CA 3.25Å; R72-F80 WeakPolarHBondContact CD-O 3.24Å; R72-F80 PolarHBondContact NE-O 3.32Å
73	P	97.2	Very high	97.6	Very high	33 Å²	33	55.5 Å²	55.5	21%	0.214	32%	0.323	C	S	.	.			trans	-60.9	156.1	175.7	-22.1	33.9	0	0	0	112.1	L64 V65 Y67 I76	L64-P73 HydrophobicContact CD2-CG 4.06Å; L64-P73 HydrophobicContact CG-CG 4.02Å; V65-P73 VanDerWaalsContact O-CD 3.29Å; V65-P73 WeakPolarHBondContact O-CD 3.31Å; Y67-P73 HydrophobicContact CD1-CG 3.8Å; Y67-P73 HydrophobicContact CE1-CG 4.09Å; P73-I76 HydrophobicContact CB-CG1 4.14Å; P73-I76 HydrophobicContact CG-CG1 4.35Å; P73-I76 PolarHBondContact O-N 3.24Å
74	S	97.4	Very high	97.6	Very high	131 Å²	131	55.8 Å²	55.8	92%	0.916	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	140.4	171.7	-174.8	0	0	0	0	110.9	I76	S74-I76 VanDerWaalsContact C-N 3.32Å
75	G	97	Very high	97.5	Very high	75 Å²	75	58 Å²	58	77%	0.773	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-10.5	-178.7	0	0	0	0	0	115.1
76	I	97.7	Very high	97.4	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.138	37%	0.374	C	S	.	.	S	Bend	trans	-84.4	127.5	173.6	-54.6	-57.7	0	0	0	109.9	V63 V65 R72 P73 S74 F80	V63-I76 HydrophobicContact CG1-CD1 4.39Å; V65-I76 HydrophobicContact CB-CG2 4.23Å; V65-I76 HydrophobicContact CG1-CD1 4.28Å; R72-I76 HydrophobicContact CG-CB 3.59Å; R72-I76 HydrophobicContact CG-CG1 4.46Å; R72-I76 HydrophobicContact CG-CG2 3.78Å; R72-I76 PolarHBondContact NH1-O 3.21Å; P73-I76 HydrophobicContact CB-CG1 4.14Å; P73-I76 HydrophobicContact CG-CG1 4.35Å; P73-I76 PolarHBondContact O-N 3.24Å; S74-I76 VanDerWaalsContact C-N 3.32Å; I76-F80 HydrophobicContact CG2-CB 3.99Å; I76-F80 HydrophobicContact CG2-CD2 4.01Å; I76-F80 HydrophobicContact CG2-CG 4.08Å
77	P	97.8	Very high	97.3	Very high	49 Å²	49	62.9 Å²	62.9	32%	0.318	39%	0.388	S	S	.	.			trans	-56.6	149.3	-176.8	-29	36.8	0	0	0	114.9	R72 R79 F80	R72-P77 WeakPolarHBondContact CD-O 3.45Å; R72-P77 PolarHBondContact NH1-O 2.04Å; P77-R79 HydrophobicContact CB-CG 3.75Å; P77-R79 PolarHBondContact O-N 2.88Å; P77-R79 VanDerWaalsContact O-N 3.1Å; P77-F80 HydrophobicContact CB-CD2 4.15Å; P77-F80 HydrophobicContact CB-CE2 4.41Å; P77-F80 HydrophobicContact CG-CD2 4.44Å; P77-F80 HydrophobicContact CG-CE2 4.36Å; P77-F80 PolarHBondContact O-N 3.32Å; P77-F80 VanDerWaalsContact O-N 3.1Å
78	E	97.7	Very high	97.4	Very high	170 Å²	170	63.6 Å²	63.6	79%	0.794	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.4	-179.9	-65.5	-172	160.3	0	0	115.5	R72 F80	R72-E78 VanDerWaalsContact CZ-CA 3.45Å; R72-E78 VanDerWaalsContact NH1-CA 3.25Å; E78-F80 PolarHBondContact O-N 3.33Å
79	R	98.3	Very high	97.5	Very high	36 Å²	36	60.3 Å²	60.3	14%	0.136	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.8	172.9	54	171.5	-168.7	-86.1	4.7	114.4	P77 I93 S94 E99 D100	P77-R79 HydrophobicContact CB-CG 3.75Å; P77-R79 PolarHBondContact O-N 2.88Å; P77-R79 VanDerWaalsContact O-N 3.1Å; R79-I93 HydrophobicContact CG-CG2 4.34Å; R79-I93 WeakPolarHBondContact O-CA 3.28Å; R79-S94 WeakPolarHBondContact CA-OG 3.34Å; R79-S94 WeakPolarHBondContact CB-O 3.2Å; R79-S94 PolarHBondContact O-N 2.98Å; R79-S94 PolarHBondContact O-OG 2.98Å; R79-E99 IonicContact CZ-OE1 3.69Å; R79-E99 IonicContact NH1-OE1 3.01Å; R79-E99 IonicContact NH2-OE1 3.53Å; R79-E99 PolarHBondContact NH2-OE1 2.83Å; R79-D100 IonicContact CZ-OD1 3.47Å; R79-D100 IonicContact CZ-OD2 3.32Å; R79-D100 IonicContact NE-OD1 3.69Å; R79-D100 PolarHBondContact NE-OD1 3.38Å; R79-D100 VanDerWaalsContact NE-OD1 3.12Å; R79-D100 IonicContact NE-OD2 3.12Å; R79-D100 PolarHBondContact NE-OD2 2.6Å; R79-D100 IonicContact NH2-OD1 2.8Å; R79-D100 PolarHBondContact NH2-OD1 3.07Å; R79-D100 IonicContact NH2-OD2 2.71Å
80	F	98.6	Very high	97.6	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.018	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.4	179.2	-70.5	-94.1	0	0	0	110.9	V65 R72 I76 P77 E78 L91 T92 I93 D100 Y104	V65-F80 HydrophobicContact CB-CD1 4.44Å; R72-F80 WeakPolarHBondContact CD-O 3.24Å; R72-F80 PolarHBondContact NE-O 3.32Å; I76-F80 HydrophobicContact CG2-CB 3.99Å; I76-F80 HydrophobicContact CG2-CD2 4.01Å; I76-F80 HydrophobicContact CG2-CG 4.08Å; P77-F80 HydrophobicContact CB-CD2 4.15Å; P77-F80 HydrophobicContact CB-CE2 4.41Å; P77-F80 HydrophobicContact CG-CD2 4.44Å; P77-F80 HydrophobicContact CG-CE2 4.36Å; P77-F80 PolarHBondContact O-N 3.32Å; P77-F80 VanDerWaalsContact O-N 3.1Å; E78-F80 PolarHBondContact O-N 3.33Å; F80-L91 HydrophobicContact CD1-CD1 4.32Å; F80-T92 WeakPolarHBondContact CA-O 3.32Å; F80-I93 HydrophobicContact CD1-CD1 4.14Å; F80-I93 HydrophobicContact CD1-CG1 3.76Å; F80-I93 HydrophobicContact CD1-CG2 4.47Å; F80-I93 HydrophobicContact CE1-CB 4.48Å; F80-I93 HydrophobicContact CE1-CD1 3.47Å; F80-I93 VanDerWaalsContact CE1-CD1 3.47Å; F80-I93 HydrophobicContact CE1-CG1 3.6Å; F80-I93 HydrophobicContact CE1-CG2 4.13Å; F80-I93 HydrophobicContact CE2-CG2 4.38Å; F80-I93 HydrophobicContact CZ-CD1 4.12Å; F80-I93 HydrophobicContact CZ-CG1 4.36Å; F80-I93 HydrophobicContact CZ-CG2 4.07Å; F80-D100 VanDerWaalsContact CZ-OD1 3.29Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.44Å; F80-Y104 HydrophobicContact CE1-CE1 4.01Å
81	S	98.6	Very high	97.7	Very high	54 Å²	54	55.5 Å²	55.5	38%	0.378	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.1	174.6	54.2	0	0	0	0	111.3	T92	S81-T92 PolarHBondContact N-O 3.15Å; S81-T92 PolarHBondContact O-N 2.95Å; S81-T92 WeakPolarHBondContact OG-CB 3.36Å; S81-T92 PolarHBondContact OG-O 3.09Å
82	G	98.5	Very high	97.8	Very high	13 Å²	13	52.3 Å²	52.3	13%	0.134	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	153.7	173.5	0	0	0	0	0	111.9	D69 T90	D69-G82 CarbonylContact O-C 3.59Å; D69-G82 VanDerWaalsContact O-CA 3.24Å; D69-G82 WeakPolarHBondContact O-CA 3.38Å; G82-T90 WeakPolarHBondContact CA-O 3.5Å
83	S	98.1	Very high	97.8	Very high	49 Å²	49	48.1 Å²	48.1	34%	0.343	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.9	174.3	57.6	0	0	0	0	110.7	D69 V89 T90	D69-S83 PolarHBondContact O-N 2.85Å; S83-V89 CarbonylContact O-C 3.56Å; S83-V89 VanDerWaalsContact O-CA 3.32Å; S83-V89 WeakPolarHBondContact O-CA 3.39Å; S83-T90 PolarHBondContact N-O 2.92Å; S83-T90 PolarHBondContact O-N 2.82Å; S83-T90 PolarHBondContact OG-O 2.82Å
84	S	97	Very high	97.9	Very high	60 Å²	60	49.2 Å²	49.2	42%	0.42	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.3	-178	-56.5	0	0	0	0	110.7	D69 V89	D69-S84 WeakPolarHBondContact CB-OG 3.42Å; D69-S84 PolarHBondContact OD1-OG 3.42Å; D69-S84 VanDerWaalsContact OD1-OG 3.13Å; S84-V89 WeakPolarHBondContact OG-CG1 3.29Å
85	S	96.8	Very high	97.9	Very high	97 Å²	97	44.4 Å²	44.4	68%	0.678	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.5	108.1	176.5	-169.4	0	0	0	0	110	T87 I88	S85-T87 PolarHBondContact O-N 3.21Å; S85-I88 PolarHBondContact N-O 2.79Å; S85-I88 PolarHBondContact O-N 3.13Å
86	G	96	Very high	98	Very high	57 Å²	57	41.7 Å²	41.7	59%	0.588	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	-125.4	-175.7	0	0	0	0	0	111.4	I88	G86-I88 VanDerWaalsContact C-N 3.27Å; G86-I88 PolarHBondContact O-N 2.89Å
87	T	96.4	Very high	98	Very high	47 Å²	47	44.7 Å²	44.7	29%	0.288	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	14.6	178.3	54.2	0	0	0	0	113.1	S42 G43 L46 P47 S85	S42-T87 CarbonylContact C-O 3.55Å; S42-T87 WeakPolarHBondContact CA-O 3.5Å; G43-T87 PolarHBondContact N-O 2.84Å; G43-T87 WeakPolarHBondContact O-CB 2.92Å; L46-T87 WeakPolarHBondContact CD1-O 3.4Å; P47-T87 HydrophobicContact CG-CG2 3.74Å; S85-T87 PolarHBondContact O-N 3.21Å
88	I	98.1	Very high	98	Very high	78 Å²	78	45.6 Å²	45.6	40%	0.4	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.4	-178.5	-57.7	175.3	0	0	0	109.6	T40 C41 S85 G86	T40-I88 HydrophobicContact CG2-CG2 4.44Å; C41-I88 CarbonylContact O-C 3.14Å; C41-I88 WeakPolarHBondContact O-CA 3.28Å; S85-I88 PolarHBondContact N-O 2.79Å; S85-I88 PolarHBondContact O-N 3.13Å; G86-I88 VanDerWaalsContact C-N 3.27Å; G86-I88 PolarHBondContact O-N 2.89Å
89	V	98.2	Very high	97.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147	168.1	-59.3	0	0	0	0	110.1	T40 C41 L46 A51 W53 S83 S84	T40-V89 CarbonylContact C-O 3.54Å; T40-V89 WeakPolarHBondContact CA-O 3.37Å; C41-V89 HydrophobicContact CB-CG2 3.69Å; C41-V89 PolarHBondContact N-O 2.87Å; C41-V89 PolarHBondContact O-N 3.37Å; L46-V89 HydrophobicContact CB-CG1 4.43Å; L46-V89 HydrophobicContact CD1-CG1 4.14Å; L46-V89 HydrophobicContact CD1-CG2 4.04Å; L46-V89 HydrophobicContact CD2-CG1 4.09Å; L46-V89 HydrophobicContact CD2-CG2 4.18Å; L46-V89 HydrophobicContact CG-CG1 4.46Å; A51-V89 HydrophobicContact CB-CB 3.94Å; A51-V89 HydrophobicContact CB-CG1 3.69Å; A51-V89 HydrophobicContact CB-CG2 3.74Å; W53-V89 HydrophobicContact CZ2-CG2 4Å; S83-V89 CarbonylContact O-C 3.56Å; S83-V89 VanDerWaalsContact O-CA 3.32Å; S83-V89 WeakPolarHBondContact O-CA 3.39Å; S84-V89 WeakPolarHBondContact OG-CG1 3.29Å
90	T	98.7	Very high	97.9	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.08	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.5	-175.5	-54.1	0	0	0	0	110.4	R38 I39 T40 G82 S83	R38-T90 HydrophobicContact CB-CG2 4.08Å; R38-T90 HydrophobicContact CG-CG2 4.5Å; I39-T90 CarbonylContact O-C 3.56Å; I39-T90 VanDerWaalsContact O-CA 3.3Å; I39-T90 WeakPolarHBondContact O-CA 3.38Å; T40-T90 HydrophobicContact CG2-CG2 4.31Å; G82-T90 WeakPolarHBondContact CA-O 3.5Å; S83-T90 PolarHBondContact N-O 2.92Å; S83-T90 PolarHBondContact O-N 2.82Å; S83-T90 PolarHBondContact OG-O 2.82Å
91	L	98.8	Very high	97.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.1	161.7	-178.2	66.2	0	0	0	109	R38 I39 W53 V65 I66 F80 I93 Y104	R38-L91 WeakPolarHBondContact CA-O 3.23Å; I39-L91 HydrophobicContact CB-CB 4.41Å; I39-L91 HydrophobicContact CD1-CD2 4.44Å; I39-L91 PolarHBondContact N-O 2.94Å; I39-L91 PolarHBondContact O-N 2.84Å; W53-L91 HydrophobicContact CB-CD1 4.28Å; W53-L91 HydrophobicContact CB-CD2 4.28Å; W53-L91 HydrophobicContact CD2-CB 3.56Å; W53-L91 HydrophobicContact CD2-CD2 4.12Å; W53-L91 HydrophobicContact CD2-CG 4.29Å; W53-L91 HydrophobicContact CE3-CB 3.8Å; W53-L91 HydrophobicContact CE3-CD2 3.9Å; W53-L91 HydrophobicContact CE3-CG 4.46Å; W53-L91 HydrophobicContact CG-CB 4.02Å; W53-L91 HydrophobicContact CG-CD1 4.16Å; W53-L91 HydrophobicContact CG-CD2 4.3Å; W53-L91 HydrophobicContact CG-CG 4.4Å; W53-L91 HydrophobicContact CH2-CB 4.08Å; W53-L91 HydrophobicContact CZ2-CB 3.86Å; W53-L91 HydrophobicContact CZ3-CB 4.06Å; V65-L91 HydrophobicContact CG2-CD1 4.3Å; V65-L91 HydrophobicContact CG2-CD2 4.27Å; I66-L91 HydrophobicContact CG1-CD1 3.58Å; F80-L91 HydrophobicContact CD1-CD1 4.32Å; L91-I93 HydrophobicContact CG-CG1 4.43Å; L91-Y104 HydrophobicContact CD2-CD1 3.47Å; L91-Y104 VanDerWaalsContact CD2-CD1 3.47Å; L91-Y104 HydrophobicContact CD2-CE1 3.77Å; L91-Y104 HydrophobicContact CD2-CG 4.31Å
92	T	98.7	Very high	97.9	Very high	13 Å²	13	46.4 Å²	46.4	8%	0.08	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.4	175	-57.9	0	0	0	0	109.5	M36 A37 R38 F80 S81	M36-T92 HydrophobicContact CE-CG2 4.47Å; M36-T92 HydrophobicContact CG-CG2 3.79Å; M36-T92 HydrophobicContact SD-CG2 3.8Å; A37-T92 WeakPolarHBondContact O-CA 3.39Å; R38-T92 HydrophobicContact CG-CG2 4.5Å; F80-T92 WeakPolarHBondContact CA-O 3.32Å; S81-T92 PolarHBondContact N-O 3.15Å; S81-T92 PolarHBondContact O-N 2.95Å; S81-T92 WeakPolarHBondContact OG-CB 3.36Å; S81-T92 PolarHBondContact OG-O 3.09Å
93	I	98.7	Very high	97.9	Very high	3 Å²	3	50.2 Å²	50.2	2%	0.015	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	109.3	174.4	-47	174.5	0	0	0	107.1	M36 A37 R79 F80 L91 V96 Y104	M36-I93 WeakPolarHBondContact CA-O 3.11Å; A37-I93 HydrophobicContact CB-CB 4.37Å; A37-I93 PolarHBondContact N-O 3.18Å; A37-I93 PolarHBondContact O-N 3.33Å; R79-I93 HydrophobicContact CG-CG2 4.34Å; R79-I93 WeakPolarHBondContact O-CA 3.28Å; F80-I93 HydrophobicContact CD1-CD1 4.14Å; F80-I93 HydrophobicContact CD1-CG1 3.76Å; F80-I93 HydrophobicContact CD1-CG2 4.47Å; F80-I93 HydrophobicContact CE1-CB 4.48Å; F80-I93 HydrophobicContact CE1-CD1 3.47Å; F80-I93 VanDerWaalsContact CE1-CD1 3.47Å; F80-I93 HydrophobicContact CE1-CG1 3.6Å; F80-I93 HydrophobicContact CE1-CG2 4.13Å; F80-I93 HydrophobicContact CE2-CG2 4.38Å; F80-I93 HydrophobicContact CZ-CD1 4.12Å; F80-I93 HydrophobicContact CZ-CG1 4.36Å; F80-I93 HydrophobicContact CZ-CG2 4.07Å; L91-I93 HydrophobicContact CG-CG1 4.43Å; I93-V96 HydrophobicContact CB-CG2 4.14Å; I93-V96 HydrophobicContact CG2-CG2 4.04Å; I93-Y104 HydrophobicContact CD1-CE1 4.03Å; I93-Y104 HydrophobicContact CD1-CE2 4.3Å; I93-Y104 WeakPolarHBondContact CD1-OH 3.45Å
94	S	98.4	Very high	97.9	Very high	55 Å²	55	49.1 Å²	49.1	39%	0.385	30%	0.303	S	S	.	.	S	Bend	trans	-88.1	130.9	178.3	59	0	0	0	0	111.5	R79	R79-S94 WeakPolarHBondContact CA-OG 3.34Å; R79-S94 WeakPolarHBondContact CB-O 3.2Å; R79-S94 PolarHBondContact O-N 2.98Å; R79-S94 PolarHBondContact O-OG 2.98Å
95	G	98.4	Very high	97.9	Very high	30 Å²	30	51.2 Å²	51.2	31%	0.309	30%	0.302	S	S	.	.	S	Bend	trans	65.7	57.2	-179.9	0	0	0	0	0	112.1	Q35 Q97	Q35-G95 PolarHBondContact O-N 3.43Å; G95-Q97 WeakPolarHBondContact O-CG 3.32Å; G95-Q97 PolarHBondContact O-N 3.21Å
96	V	98.5	Very high	98	Very high	18 Å²	18	47.3 Å²	47.3	11%	0.109	28%	0.275	C	S	.	.			trans	-50.4	132.9	-178.7	166.9	0	0	0	0	111.5	V31 L33 G34 Q35 A37 I93 D100	V31-V96 HydrophobicContact CG2-CB 4.07Å; V31-V96 HydrophobicContact CG2-CG1 4.07Å; V31-V96 HydrophobicContact CG2-CG2 3.76Å; L33-V96 WeakPolarHBondContact CA-O 3.34Å; G34-V96 PolarHBondContact N-O 2.88Å; Q35-V96 WeakPolarHBondContact O-CG2 3.4Å; Q35-V96 PolarHBondContact O-N 3.34Å; A37-V96 HydrophobicContact CB-CG2 3.73Å; I93-V96 HydrophobicContact CB-CG2 4.14Å; I93-V96 HydrophobicContact CG2-CG2 4.04Å; V96-D100 HydrophobicContact CG1-CB 4.3Å
97	Q	98.3	Very high	97.9	Very high	90 Å²	90	46.8 Å²	46.8	42%	0.421	26%	0.258	S	S	.	.			trans	-113.4	165.8	179	-52.1	-169.3	21.9	0	0	110.5	G95 E99 D100	G95-Q97 WeakPolarHBondContact O-CG 3.32Å; G95-Q97 PolarHBondContact O-N 3.21Å; Q97-E99 VanDerWaalsContact CB-CD 3.42Å; Q97-E99 WeakPolarHBondContact CB-OE1 3.35Å; Q97-E99 WeakPolarHBondContact CB-OE2 3.34Å; Q97-E99 PolarHBondContact O-N 3.21Å; Q97-E99 PolarHBondContact OE1-OE1 2.85Å; Q97-D100 PolarHBondContact N-OD2 3.12Å; Q97-D100 WeakPolarHBondContact O-CB 3.39Å; Q97-D100 PolarHBondContact O-N 2.85Å
98	A	97.4	Very high	97.8	Very high	69 Å²	69	44.5 Å²	44.5	57%	0.57	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-62.2	-31.9	-177	0	0	0	0	0	112.1	L33 D100 E101	L33-A98 HydrophobicContact CD2-CB 4.42Å; A98-D100 PolarHBondContact O-N 3.24Å; A98-E101 PolarHBondContact O-N 3.14Å
99	E	96.6	Very high	97.5	Very high	76 Å²	76	40.9 Å²	40.9	36%	0.355	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-74.7	-3.8	177	75.2	-83.2	-172.3	0	0	114.7	K57 R79 Q97 E101	K57-E99 WeakPolarHBondContact CE-O 3.31Å; K57-E99 PolarHBondContact NZ-O 2.83Å; R79-E99 IonicContact CZ-OE1 3.69Å; R79-E99 IonicContact NH1-OE1 3.01Å; R79-E99 IonicContact NH2-OE1 3.53Å; R79-E99 PolarHBondContact NH2-OE1 2.83Å; Q97-E99 VanDerWaalsContact CB-CD 3.42Å; Q97-E99 WeakPolarHBondContact CB-OE1 3.35Å; Q97-E99 WeakPolarHBondContact CB-OE2 3.34Å; Q97-E99 PolarHBondContact O-N 3.21Å; Q97-E99 PolarHBondContact OE1-OE1 2.85Å; E99-E101 VanDerWaalsContact C-N 3.31Å
100	D	97.8	Very high	96.9	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.053	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-84.1	-7.4	175	-61.6	-34.1	0	0	0	112.3	R79 F80 V96 Q97 A98 A102 Y104	R79-D100 IonicContact CZ-OD1 3.47Å; R79-D100 IonicContact CZ-OD2 3.32Å; R79-D100 IonicContact NE-OD1 3.69Å; R79-D100 PolarHBondContact NE-OD1 3.38Å; R79-D100 VanDerWaalsContact NE-OD1 3.12Å; R79-D100 IonicContact NE-OD2 3.12Å; R79-D100 PolarHBondContact NE-OD2 2.6Å; R79-D100 IonicContact NH2-OD1 2.8Å; R79-D100 PolarHBondContact NH2-OD1 3.07Å; R79-D100 IonicContact NH2-OD2 2.71Å; F80-D100 VanDerWaalsContact CZ-OD1 3.29Å; F80-D100 WeakPolarHBondContact CZ-OD1 3.44Å; V96-D100 HydrophobicContact CG1-CB 4.3Å; Q97-D100 PolarHBondContact N-OD2 3.12Å; Q97-D100 WeakPolarHBondContact O-CB 3.39Å; Q97-D100 PolarHBondContact O-N 2.85Å; A98-D100 PolarHBondContact O-N 3.24Å; D100-A102 PolarHBondContact O-N 3.31Å; D100-A102 VanDerWaalsContact O-N 3.11Å; D100-Y104 WeakPolarHBondContact O-CE2 3.5Å; D100-Y104 PolarHBondContact O-OH 3.06Å
101	E	98	Very high	95.7	Very high	170 Å²	170	46.7 Å²	46.7	79%	0.794	26%	0.263	S	S	*	.			trans	-66.1	110.2	172.8	-171.2	173.4	177.5	0	0	110.5	A98 E99	A98-E101 PolarHBondContact O-N 3.14Å; E99-E101 VanDerWaalsContact C-N 3.31Å
102	A	98.2	Very high	94.3	Very high	25 Å²	25	50.8 Å²	50.8	21%	0.207	29%	0.292	C	S	.	.	S	Bend	trans	-166.7	164.8	-172.6	0	0	0	0	0	110.9	Q55 Q56 K57 D100 Y104	Q55-A102 HydrophobicContact CG-CB 3.38Å; Q56-A102 WeakPolarHBondContact O-CA 3.49Å; Q56-A102 WeakPolarHBondContact O-CB 3.4Å; K57-A102 HydrophobicContact CG-CB 4.11Å; D100-A102 PolarHBondContact O-N 3.31Å; D100-A102 VanDerWaalsContact O-N 3.11Å; A102-Y104 HydrophobicContact CB-CD2 4.44Å; A102-Y104 HydrophobicContact CB-CE2 3.96Å; A102-Y104 WeakPolarHBondContact O-CD2 3.44Å
103	D	98.4	Very high	92.4	Very high	93 Å²	93	51.7 Å²	51.7	50%	0.497	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	136.6	161.8	-62.5	-42.9	0	0	0	109.3	Q56 Y105	Q56-D103 HydrophobicContact CB-CB 4.41Å; Q56-D103 PolarHBondContact N-O 3.02Å; Q56-D103 PolarHBondContact O-N 3.08Å; D103-Y105 HydrophobicContact CB-CE2 3.62Å
104	Y	98.6	Very high	90.1	Very high	26 Å²	26	55 Å²	55	10%	0.102	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.1	178.6	-72.7	-90.3	0	0	0	110.5	Q25 I39 Y54 Q55 F80 L91 I93 D100 A102	Q25-Y104 PolarHBondContact NE2-O 3.11Å; I39-Y104 HydrophobicContact CD1-CD1 4.26Å; I39-Y104 HydrophobicContact CD1-CD2 3.56Å; I39-Y104 HydrophobicContact CD1-CE2 4.15Å; I39-Y104 HydrophobicContact CD1-CG 3.6Å; Y54-Y104 CarbonylContact O-C 3.59Å; Y54-Y104 WeakPolarHBondContact O-CA 3.26Å; Q55-Y104 HydrophobicContact CB-CD1 4.16Å; Q55-Y104 HydrophobicContact CB-CE1 3.82Å; Q55-Y104 HydrophobicContact CG-CD1 4.34Å; Q55-Y104 HydrophobicContact CG-CE1 3.73Å; Q55-Y104 PolarHBondContact NE2-OH 2.97Å; F80-Y104 HydrophobicContact CE1-CE1 4.01Å; L91-Y104 HydrophobicContact CD2-CD1 3.47Å; L91-Y104 VanDerWaalsContact CD2-CD1 3.47Å; L91-Y104 HydrophobicContact CD2-CE1 3.77Å; L91-Y104 HydrophobicContact CD2-CG 4.31Å; I93-Y104 HydrophobicContact CD1-CE1 4.03Å; I93-Y104 HydrophobicContact CD1-CE2 4.3Å; I93-Y104 WeakPolarHBondContact CD1-OH 3.45Å; D100-Y104 WeakPolarHBondContact O-CE2 3.5Å; D100-Y104 PolarHBondContact O-OH 3.06Å; A102-Y104 HydrophobicContact CB-CD2 4.44Å; A102-Y104 HydrophobicContact CB-CE2 3.96Å; A102-Y104 WeakPolarHBondContact O-CD2 3.44Å
105	Y	97.9	Very high	87.9	Confident	104 Å²	104	61.4 Å²	61.4	41%	0.408	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.6	-177.1	-57.3	-80.9	0	0	0	111.1	W53 Y54 Q56 D103	W53-Y105 CarbonylContact C-O 3.59Å; W53-Y105 WeakPolarHBondContact CA-O 3.4Å; Y54-Y105 PolarHBondContact N-O 2.61Å; Y54-Y105 PolarHBondContact O-N 2.78Å; Q56-Y105 HydrophobicContact CB-CD2 4.37Å; Q56-Y105 HydrophobicContact CB-CE2 3.82Å; Q56-Y105 VanDerWaalsContact OE1-CE2 3.28Å; Q56-Y105 PolarHBondContact OE1-OH 3.3Å; D103-Y105 HydrophobicContact CB-CE2 3.62Å
106	C	97.3	Very high	87.3	Confident	14 Å²	14	63 Å²	63	10%	0.095	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.1	171.3	174.8	0	0	0	0	109.8	L23 Q25 C41 Y52 W53	L23-C106 WeakPolarHBondContact CD1-O 3.03Å; Q25-C106 HydrophobicContact CG-CB 4.26Å; C41-C106 HydrophobicContact CB-CB 3.34Å; C41-C106 WeakPolarHBondContact CB-SG 2.98Å; C41-C106 WeakPolarHBondContact SG-CB 3.35Å; C41-C106 CovalentContact SG-SG 2.04Å; C41-C106 PolarHBondContact SG-SG 2.55Å; Y52-C106 WeakPolarHBondContact O-CA 3.4Å; W53-C106 HydrophobicContact CE3-CB 4.27Å; W53-C106 HydrophobicContact CH2-CB 4.15Å; W53-C106 HydrophobicContact CZ2-CB 4.41Å; W53-C106 HydrophobicContact CZ3-CB 4.07Å
107	L	95.2	Very high	86.8	Confident	46 Å²	46	65.3 Å²	65.3	24%	0.241	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.4	174.9	175	75.1	0	0	0	109.1	A51 Y52 Y54 Y115	A51-L107 CarbonylContact C-O 3.53Å; A51-L107 WeakPolarHBondContact CA-O 3.3Å; Y52-L107 PolarHBondContact N-O 2.9Å; Y52-L107 PolarHBondContact O-N 2.79Å; Y54-L107 HydrophobicContact CE2-CB 4.27Å; Y54-L107 HydrophobicContact CE2-CD2 4.01Å; L107-Y115 HydrophobicContact CD1-CD1 4.26Å; L107-Y115 HydrophobicContact CD1-CE1 3.99Å; L107-Y115 HydrophobicContact CD2-CE1 4.03Å
108	S	94.1	Very high	86.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.1	173.5	-175.1	0	0	0	0	109.9	K49 Y50	K49-S108 WeakPolarHBondContact CB-OG 3.26Å; Y50-S108 WeakPolarHBondContact O-CA 3.39Å
109	A	91.4	Very high	85.5	Confident	2 Å²	2	63.6 Å²	63.6	2%	0.017	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.4	-179	0	0	0	0	0	111.2	Y50 Y52	Y50-A109 WeakPolarHBondContact CB-O 3.2Å; Y50-A109 PolarHBondContact N-O 2.89Å; Y50-A109 PolarHBondContact O-N 2.71Å; Y52-A109 HydrophobicContact CD2-CB 4.33Å; Y52-A109 HydrophobicContact CE2-CB 3.92Å
110	D	85	Confident	84.8	Confident	51 Å²	51	62.9 Å²	62.9	27%	0.273	34%	0.337	S	S	.	.			trans	-72.1	175.9	170.1	61	26.4	0	0	0	111.9	S112 G113 T114	D110-S112 PolarHBondContact O-N 2.79Å; D110-S112 VanDerWaalsContact O-N 3.16Å; D110-S112 WeakPolarHBondContact OD1-CA 3.47Å; D110-S112 PolarHBondContact OD1-N 2.89Å; D110-S112 VanDerWaalsContact OD1-N 3.08Å; D110-S112 PolarHBondContact OD1-OG 2.79Å; D110-S112 PolarHBondContact OD2-OG 3.16Å; D110-G113 PolarHBondContact O-N 3.28Å; D110-G113 PolarHBondContact OD1-N 3.08Å; D110-T114 PolarHBondContact OD1-N 3.01Å; D110-T114 PolarHBondContact OD1-OG1 2.99Å; D110-T114 PolarHBondContact OD2-OG1 3.21Å
111	S	73.2	Confident	83.9	Confident	85 Å²	85	66.4 Å²	66.4	59%	0.594	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.2	179	49.9	0	0	0	0	114.2	G113	S111-G113 VanDerWaalsContact C-N 3.29Å
112	S	70.8	Confident	82.9	Confident	87 Å²	87	59 Å²	59	61%	0.608	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.9	176.1	27.6	0	0	0	0	112.8	D110 T114	D110-S112 PolarHBondContact O-N 2.79Å; D110-S112 VanDerWaalsContact O-N 3.16Å; D110-S112 WeakPolarHBondContact OD1-CA 3.47Å; D110-S112 PolarHBondContact OD1-N 2.89Å; D110-S112 VanDerWaalsContact OD1-N 3.08Å; D110-S112 PolarHBondContact OD1-OG 2.79Å; D110-S112 PolarHBondContact OD2-OG 3.16Å; S112-T114 PolarHBondContact OG-OG1 3.13Å
113	G	57.8	Low	81.7	Confident	31 Å²	31	61.6 Å²	61.6	32%	0.32	33%	0.334	S	S	.	.			trans	70.6	20.3	-172.5	0	0	0	0	0	112.6	D110 S111 Y115	D110-G113 PolarHBondContact O-N 3.28Å; D110-G113 PolarHBondContact OD1-N 3.08Å; S111-G113 VanDerWaalsContact C-N 3.29Å; G113-Y115 WeakPolarHBondContact O-CE2 3.05Å
114	T	51.5	Low	80.3	Confident	74 Å²	74	59 Å²	59	45%	0.454	32%	0.321	S	S	.	.			trans	-87.5	133.5	174.9	34.3	0	0	0	0	110.3	D110 S112	D110-T114 PolarHBondContact OD1-N 3.01Å; D110-T114 PolarHBondContact OD1-OG1 2.99Å; D110-T114 PolarHBondContact OD2-OG1 3.21Å; S112-T114 PolarHBondContact OG-OG1 3.13Å
115	Y	51	Low	78.7	Confident	188 Å²	188	62 Å²	62	74%	0.737	34%	0.341	S	S	*	.			trans	-86.7	0	-171.6	-54.6	-87.3	0	0	0	111	Y21 K49 L107 G113	Y21-Y115 PolarHBondContact OH-OXT 2.89Å; K49-Y115 PolarHBondContact NZ-OXT 2.83Å; L107-Y115 HydrophobicContact CD1-CD1 4.26Å; L107-Y115 HydrophobicContact CD1-CE1 3.99Å; L107-Y115 HydrophobicContact CD2-CE1 4.03Å; G113-Y115 WeakPolarHBondContact O-CE2 3.05Å

Retrieved 115 of 115 residues in 64.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).