LV460_HUMAN Loading...

Immunoglobulin lambda variable 4-60

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 A0A075B6I1, Species HUMAN (Homo sapiens, Human), Gene IGLV4-60, Length 120 aa.

						>LV460_HUMAN|A0A075B6I1|IGLV4-60
MAWTPLLLLFPLLLHCTGSLSQPVLTQSSSASASLGSSVKLTCTLSSGHSSYIIAWHQQQPGKAPRYLMKLEGSGSYNKGSGVPDRFSGSSSGADRYLTISNLQFEDEADYYCETWDSNT
					

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	49.5	Very low	55.6	Low	253 Å²	253	161.5 Å²	161.5	100%	1.246	85%	0.85	S	S	*	*				0	105.5	0	-66.2	-179.2	-135.5	0	0	106.3
2	A	53.2	Low	55.9	Low	80 Å²	80	161.6 Å²	161.6	66%	0.661	85%	0.85	S	S	*	*			trans	-129.9	147.4	-162	0	0	0	0	0	109.4
3	W	53.2	Low	56.2	Low	243 Å²	243	161.2 Å²	161.2	92%	0.92	85%	0.848	S	S	*	*			trans	89.7	87.2	156.3	-52.2	-7.4	0	0	0	117.6
4	T	61.4	Low	56.5	Low	146 Å²	146	160.9 Å²	160.9	90%	0.896	85%	0.846	S	S	*	*			trans	-102.4	100.9	141.6	12.2	0	0	0	0	107.9
5	P	53.9	Low	56.3	Low	93 Å²	93	161.4 Å²	161.4	60%	0.604	84%	0.842	S	S	*	*			trans	-71.2	136.3	-177.5	24.6	-30.3	0	0	0	112.4	L7	P5-L7 VanDerWaalsContact C-N 3.34Å; P5-L7 HydrophobicContact CB-CD1 4.17Å; P5-L7 HydrophobicContact CB-CG 4.34Å; P5-L7 HydrophobicContact CG-CD1 4.08Å; P5-L7 PolarHBondContact O-N 3.24Å
6	L	57	Low	56.5	Low	174 Å²	174	159.7 Å²	159.7	91%	0.911	85%	0.845	S	S	*	*			trans	-55.8	77.2	175.7	-156.7	92.9	0	0	0	111.8
7	L	57	Low	56.8	Low	139 Å²	139	157.8 Å²	157.8	73%	0.728	84%	0.842	S	S	*	*			trans	-129.4	29.7	-169.5	-77.4	175	0	0	0	115.7	P5	P5-L7 VanDerWaalsContact C-N 3.34Å; P5-L7 HydrophobicContact CB-CD1 4.17Å; P5-L7 HydrophobicContact CB-CG 4.34Å; P5-L7 HydrophobicContact CG-CD1 4.08Å; P5-L7 PolarHBondContact O-N 3.24Å
8	L	56.1	Low	56.7	Low	175 Å²	175	153.2 Å²	153.2	92%	0.916	84%	0.838	S	S	*	*			trans	-136.4	34.7	179.8	-69.4	172	0	0	0	115.2
9	L	55.7	Low	57.1	Low	161 Å²	161	151.3 Å²	151.3	84%	0.843	84%	0.837	S	S	*	*			trans	-117.1	18.5	176.4	-91.6	155.8	0	0	0	114.8
10	F	59.4	Low	57.7	Low	192 Å²	192	152.4 Å²	152.4	84%	0.842	84%	0.84	S	S	*	*			trans	-131.8	98	175.7	-110.4	-103.4	0	0	0	107.3
11	P	55.3	Low	58.6	Low	121 Å²	121	149 Å²	149	79%	0.786	83%	0.827	S	S	*	*				-152.1	101	75.7	35.3	-12.8	0	0	0	113.5
12	L	59.5	Low	60.5	Low	162 Å²	162	144.6 Å²	144.6	85%	0.848	80%	0.804	S	S	*	*			trans	-104	15.4	173	-159	66.2	0	0	0	113.7
13	L	59.6	Low	62.4	Low	157 Å²	157	142.3 Å²	142.3	82%	0.822	78%	0.782	S	S	*	*			trans	-122.8	33.2	-169.4	-78.7	155.2	0	0	0	114.3
14	L	59.8	Low	64.4	Low	156 Å²	156	135 Å²	135	82%	0.817	76%	0.764	S	S	*	*			trans	-114.6	55.8	176.5	-144.6	79.4	0	0	0	112.7
15	H	54.6	Low	66.1	Low	169 Å²	169	130.4 Å²	130.4	78%	0.782	73%	0.734	S	S	*	*			trans	-137	62.4	168.8	-62.6	98	0	0	0	110.4	T17	H15-T17 VanDerWaalsContact C-N 3.35Å; H15-T17 PolarHBondContact O-N 2.58Å
16	C	59.6	Low	68.2	Low	134 Å²	134	130.3 Å²	130.3	91%	0.905	73%	0.731	S	S	*	*			trans	-88	86.4	155	-78	0	0	0	0	107.3	G18	C16-G18 PolarHBondContact O-N 3.49Å
17	T	60.9	Low	70.1	Confident	128 Å²	128	125.2 Å²	125.2	79%	0.785	70%	0.703	S	S	*	*			trans	-58.8	119.5	160.3	35.2	0	0	0	0	107.4	H15 S19	H15-T17 VanDerWaalsContact C-N 3.35Å; H15-T17 PolarHBondContact O-N 2.58Å; T17-S19 PolarHBondContact O-N 3.05Å
18	G	55.9	Low	71.8	Confident	74 Å²	74	122.1 Å²	122.1	76%	0.763	69%	0.693	S	S	*	*			trans	-54.6	113.9	177.9	0	0	0	0	0	109.9	C16 L20	C16-G18 PolarHBondContact O-N 3.49Å; G18-L20 PolarHBondContact O-N 3.22Å
19	S	63.9	Low	73.6	Confident	117 Å²	117	119.9 Å²	119.9	82%	0.818	69%	0.692	S	S	*	*			trans	-77.2	112.3	170.2	-174.9	0	0	0	0	107.3	T17 S21	T17-S19 PolarHBondContact O-N 3.05Å; S19-S21 PolarHBondContact O-N 3.32Å; S19-S21 VanDerWaalsContact O-N 3.12Å
20	L	68.3	Low	75.5	Confident	173 Å²	173	116.7 Å²	116.7	91%	0.906	68%	0.683	S	S	*	*			trans	-68.2	104.4	167.7	-76.8	145	0	0	0	107.1	G18	G18-L20 PolarHBondContact O-N 3.22Å
21	S	77.5	Confident	77.3	Confident	82 Å²	82	109.9 Å²	109.9	57%	0.573	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-69.2	132.2	174.6	179.7	0	0	0	0	109.1	S19 H49	S19-S21 PolarHBondContact O-N 3.32Å; S19-S21 VanDerWaalsContact O-N 3.12Å; S21-H49 PolarHBondContact O-NE2 2.91Å
22	Q	88.6	Confident	79.2	Confident	161 Å²	161	109.7 Å²	109.7	75%	0.752	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-68.8	140.6	171.2	-170.7	174.4	-10.6	0	0	109.4	V24	Q22-V24 PolarHBondContact O-N 3.25Å
23	P	92.6	Very high	81	Confident	32 Å²	32	104 Å²	104	21%	0.208	64%	0.64	C	S	.	*	P	Polyproline II helix	trans	-60.3	137.4	174.8	26.4	-37.2	0	0	0	110.5	H49 Y52 T115	P23-H49 HydrophobicContact CB-CB 4.39Å; P23-Y52 HydrophobicContact CB-CD1 4.25Å; P23-Y52 HydrophobicContact CB-CE1 4.21Å; P23-Y52 HydrophobicContact CG-CD1 4.17Å; P23-Y52 HydrophobicContact CG-CE1 3.83Å; P23-T115 HydrophobicContact CB-CG2 3.75Å; P23-T115 HydrophobicContact CG-CG2 3.72Å
24	V	95.6	Very high	82.8	Confident	88 Å²	88	100.9 Å²	100.9	53%	0.533	63%	0.632	S	S	.	*			trans	-114.4	135.3	173.5	179.2	0	0	0	0	108	Q22 L45 S46	Q22-V24 PolarHBondContact O-N 3.25Å; V24-L45 CarbonylContact O-C 3.54Å; V24-S46 PolarHBondContact N-OG 3.1Å; V24-S46 PolarHBondContact O-N 2.92Å
25	L	97.2	Very high	84.7	Confident	51 Å²	51	97.8 Å²	97.8	27%	0.267	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.2	132.2	177.7	-59.1	-178.8	0	0	0	110.1	T44 L45 I54 C113 T115	L25-T44 WeakPolarHBondContact CA-O 3.25Å; L25-L45 HydrophobicContact CD2-CD2 3.99Å; L25-L45 HydrophobicContact CD2-CG 3.77Å; L25-I54 HydrophobicContact CD1-CD1 3.95Å; L25-I54 HydrophobicContact CD2-CD1 3.67Å; L25-I54 HydrophobicContact CG-CD1 4.47Å; L25-C113 HydrophobicContact CD1-CB 4.36Å; L25-C113 WeakPolarHBondContact CD1-O 3.46Å; L25-T115 HydrophobicContact CD1-CG2 3.94Å; L25-T115 HydrophobicContact CD2-CG2 3.83Å; L25-T115 HydrophobicContact CG-CG2 4Å
26	T	97.5	Very high	86.7	Confident	90 Å²	90	91.9 Å²	91.9	55%	0.552	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-117	124.4	173.6	-54.9	0	0	0	0	109.1	C43 T44	T26-C43 WeakPolarHBondContact O-CA 3.22Å; T26-T44 PolarHBondContact N-O 3.12Å; T26-T44 PolarHBondContact O-N 3.27Å
27	Q	97.7	Very high	88.6	Confident	68 Å²	68	87.4 Å²	87.4	32%	0.318	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.5	152.6	175	-69.4	-173.9	-111.3	0	0	110.9	T42 C43 Y111 C113	Q27-T42 WeakPolarHBondContact CA-O 3.36Å; Q27-C43 HydrophobicContact CG-CB 4.18Å; Q27-Y111 PolarHBondContact NE2-O 3.35Å; Q27-C113 WeakPolarHBondContact CG-SG 3.4Å; Q27-C113 PolarHBondContact OE1-SG 2.96Å; Q27-C113 VanDerWaalsContact OE1-SG 3.37Å
28	S	92.6	Very high	90.3	Very high	73 Å²	73	85 Å²	85	51%	0.51	56%	0.559	S	S	.	*			trans	-61.6	136.7	164.5	-52	0	0	0	0	109.5	S30	S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 2.9Å
29	S	94.6	Very high	92.3	Very high	129 Å²	129	82.4 Å²	82.4	90%	0.902	53%	0.528	S	S	*	.	S	Bend	trans	-67.2	-28.3	-175.6	56.3	0	0	0	0	113.7
30	S	95.8	Very high	93.9	Very high	93 Å²	93	81.9 Å²	81.9	65%	0.65	51%	0.511	S	S	*	.			trans	-159.8	160.6	176.1	58.4	0	0	0	0	110.6	S28	S28-S30 VanDerWaalsContact C-N 3.28Å; S28-S30 PolarHBondContact O-N 2.9Å
31	A	96.1	Very high	95.4	Very high	50 Å²	50	74.7 Å²	74.7	41%	0.413	47%	0.473	S	S	.	.			trans	-143.2	148.8	167.7	0	0	0	0	0	108.8	V39 L41	A31-V39 HydrophobicContact CB-CG2 3.67Å; A31-L41 HydrophobicContact CB-CD2 3.51Å
32	S	95.9	Very high	96.3	Very high	117 Å²	117	72.3 Å²	72.3	82%	0.818	46%	0.455	S	S	*	.			trans	-140.7	140.6	179.5	-54.3	0	0	0	0	109.9
33	A	97.2	Very high	96.8	Very high	42 Å²	42	64.6 Å²	64.6	35%	0.347	42%	0.419	S	S	.	.			trans	-154.3	158	177.6	0	0	0	0	0	109.9	S37 V39 L103	A33-S37 WeakPolarHBondContact CB-OG 3.46Å; A33-V39 HydrophobicContact CB-CB 3.99Å; A33-V39 HydrophobicContact CB-CG2 4.46Å; A33-L103 HydrophobicContact CB-CD2 4.1Å
34	S	98	Very high	97	Very high	92 Å²	92	65.4 Å²	65.4	64%	0.643	42%	0.423	S	S	*	.			trans	-75.3	154	177.7	-56	0	0	0	0	111.5	G36 S37	S34-G36 PolarHBondContact O-N 2.84Å; S34-S37 PolarHBondContact N-OG 3.22Å; S34-S37 VanDerWaalsContact O-CB 3.28Å; S34-S37 WeakPolarHBondContact O-CB 3.47Å; S34-S37 PolarHBondContact O-N 3.32Å; S34-S37 PolarHBondContact O-OG 2.87Å
35	L	98.1	Very high	97.1	Very high	91 Å²	91	61.5 Å²	61.5	48%	0.476	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	140.9	172.5	-63.6	167.7	0	0	0	111.1	S37 L103 F105	L35-S37 PolarHBondContact O-N 3.29Å; L35-L103 WeakPolarHBondContact CA-O 3.28Å; L35-F105 HydrophobicContact CD1-CD1 4.15Å; L35-F105 HydrophobicContact CD1-CD2 4.03Å; L35-F105 HydrophobicContact CD1-CE1 3.56Å; L35-F105 HydrophobicContact CD1-CE2 3.41Å; L35-F105 VanDerWaalsContact CD1-CE2 3.41Å; L35-F105 HydrophobicContact CD1-CG 4.38Å; L35-F105 HydrophobicContact CD1-CZ 3.16Å; L35-F105 HydrophobicContact CD2-CD1 4.22Å; L35-F105 HydrophobicContact CD2-CD2 4.21Å; L35-F105 HydrophobicContact CD2-CE1 4.44Å; L35-F105 HydrophobicContact CD2-CE2 4.43Å; L35-F105 HydrophobicContact CD2-CG 4.12Å; L35-F105 HydrophobicContact CG-CZ 4.44Å
36	G	98.1	Very high	97	Very high	44 Å²	44	60.5 Å²	60.5	45%	0.454	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-11.9	-175.2	0	0	0	0	0	115.1	S34 N102 L103	S34-G36 PolarHBondContact O-N 2.84Å; G36-N102 WeakPolarHBondContact CA-OD1 3.46Å; G36-L103 PolarHBondContact N-O 3.2Å
37	S	98.1	Very high	96.7	Very high	41 Å²	41	61.6 Å²	61.6	29%	0.287	41%	0.409	S	S	.	.	S	Bend	trans	-84	-175	173.7	78.4	0	0	0	0	112	A33 S34 L35 N102 L103	A33-S37 WeakPolarHBondContact CB-OG 3.46Å; S34-S37 PolarHBondContact N-OG 3.22Å; S34-S37 VanDerWaalsContact O-CB 3.28Å; S34-S37 WeakPolarHBondContact O-CB 3.47Å; S34-S37 PolarHBondContact O-N 3.32Å; S34-S37 PolarHBondContact O-OG 2.87Å; L35-S37 PolarHBondContact O-N 3.29Å; S37-N102 PolarHBondContact O-N 3.43Å; S37-N102 VanDerWaalsContact O-N 3.12Å; S37-L103 WeakPolarHBondContact O-CB 3.34Å; S37-L103 PolarHBondContact O-N 2.98Å
38	S	97.9	Very high	96.3	Very high	78 Å²	78	61.9 Å²	61.9	55%	0.545	43%	0.43	S	S	.	.			trans	-113.2	138.6	177.4	-60.7	0	0	0	0	110.8	I100	S38-I100 CarbonylContact C-O 3.56Å; S38-I100 VanDerWaalsContact CA-O 3.25Å; S38-I100 WeakPolarHBondContact CA-O 3.36Å
39	V	98	Very high	96.3	Very high	19 Å²	19	59.2 Å²	59.2	12%	0.115	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.5	171.2	65.8	0	0	0	0	109.9	A31 A33 L41 T99 I100 L103	A31-V39 HydrophobicContact CB-CG2 3.67Å; A33-V39 HydrophobicContact CB-CB 3.99Å; A33-V39 HydrophobicContact CB-CG2 4.46Å; V39-L41 HydrophobicContact CG2-CD2 4.27Å; V39-T99 WeakPolarHBondContact O-CA 3.5Å; V39-I100 HydrophobicContact CG1-CB 3.96Å; V39-I100 HydrophobicContact CG1-CD1 4.22Å; V39-I100 HydrophobicContact CG1-CG1 4.31Å; V39-I100 PolarHBondContact N-O 2.83Å; V39-I100 PolarHBondContact O-N 3.26Å; V39-L103 HydrophobicContact CG1-CD1 3.91Å
40	K	97.6	Very high	96.2	Very high	106 Å²	106	56.2 Å²	56.2	46%	0.461	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.9	179.1	-175.9	177.1	177.8	-174.1	0	109.6	Y97 L98	K40-Y97 HydrophobicContact CD-CD1 4.39Å; K40-Y97 HydrophobicContact CD-CG 4.43Å; K40-Y97 HydrophobicContact CG-CD1 4.45Å; K40-L98 CarbonylContact C-O 3.49Å; K40-L98 WeakPolarHBondContact CA-O 3.48Å
41	L	98.2	Very high	96	Very high	22 Å²	22	54.7 Å²	54.7	12%	0.115	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	146.2	175.2	-54.3	-177.8	0	0	0	109.7	A31 V39 W56 Y97 L98 Y111	A31-L41 HydrophobicContact CB-CD2 3.51Å; V39-L41 HydrophobicContact CG2-CD2 4.27Å; L41-W56 HydrophobicContact CB-CH2 3.92Å; L41-W56 HydrophobicContact CB-CZ3 4.17Å; L41-W56 HydrophobicContact CD1-CZ3 4.5Å; L41-Y97 WeakPolarHBondContact O-CA 3.4Å; L41-L98 HydrophobicContact CB-CB 4.43Å; L41-L98 HydrophobicContact CD1-CD2 4.39Å; L41-L98 PolarHBondContact N-O 3.08Å; L41-L98 PolarHBondContact O-N 3.41Å; L41-Y111 VanDerWaalsContact CD1-CB 3.48Å; L41-Y111 HydrophobicContact CD1-CD1 3.89Å; L41-Y111 HydrophobicContact CD1-CD2 3.7Å; L41-Y111 HydrophobicContact CD1-CE2 4.39Å; L41-Y111 HydrophobicContact CD1-CG 3.41Å; L41-Y111 VanDerWaalsContact CD1-CG 3.41Å
42	T	97.8	Very high	95.9	Very high	31 Å²	31	54.4 Å²	54.4	19%	0.19	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	135.8	-178.6	-54.3	0	0	0	0	110.3	Q27 D95 Y97	Q27-T42 WeakPolarHBondContact CA-O 3.36Å; T42-D95 HydrophobicContact CG2-CB 4.41Å; T42-Y97 HydrophobicContact CG2-CD1 3.82Å; T42-Y97 HydrophobicContact CG2-CE1 3.54Å; T42-Y97 WeakPolarHBondContact OG1-CD1 3.3Å; T42-Y97 WeakPolarHBondContact OG1-CE1 3.37Å
43	C	97.9	Very high	96	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.8	166.2	178.9	0	0	0	0	108.6	T26 Q27 W56 R96 C113	T26-C43 WeakPolarHBondContact O-CA 3.22Å; Q27-C43 HydrophobicContact CG-CB 4.18Å; C43-W56 HydrophobicContact CB-CH2 3.74Å; C43-W56 HydrophobicContact CB-CZ2 3.7Å; C43-R96 PolarHBondContact N-O 2.81Å; C43-R96 PolarHBondContact O-N 2.81Å; C43-C113 HydrophobicContact CB-CB 3.52Å; C43-C113 WeakPolarHBondContact CB-SG 3.4Å; C43-C113 WeakPolarHBondContact SG-CB 3.37Å; C43-C113 CovalentContact SG-SG 2.03Å; C43-C113 PolarHBondContact SG-SG 3.12Å
44	T	97.4	Very high	96	Very high	48 Å²	48	47.1 Å²	47.1	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.5	-177.3	-58.8	0	0	0	0	109.7	L25 T26 D95	L25-T44 WeakPolarHBondContact CA-O 3.25Å; T26-T44 PolarHBondContact N-O 3.12Å; T26-T44 PolarHBondContact O-N 3.27Å; T44-D95 VanDerWaalsContact CB-OD1 3.32Å; T44-D95 WeakPolarHBondContact CB-OD1 3.36Å; T44-D95 WeakPolarHBondContact CG2-OD1 3.43Å; T44-D95 PolarHBondContact OG1-OD1 3.36Å
45	L	96.8	Very high	96	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	147.4	172.3	-69.4	114.6	0	0	0	111.2	V24 L25 H49 Y52 I54 A94 R96 T115	V24-L45 CarbonylContact O-C 3.54Å; L25-L45 HydrophobicContact CD2-CD2 3.99Å; L25-L45 HydrophobicContact CD2-CG 3.77Å; L45-H49 HydrophobicContact CB-CB 4.28Å; L45-H49 HydrophobicContact CD2-CB 3.87Å; L45-Y52 HydrophobicContact CD2-CG 4.43Å; L45-I54 HydrophobicContact CD1-CD1 4.34Å; L45-I54 HydrophobicContact CD1-CG1 3.98Å; L45-I54 HydrophobicContact CD2-CD1 4.46Å; L45-I54 HydrophobicContact CG-CD1 4.39Å; L45-A94 HydrophobicContact CB-CB 4.38Å; L45-A94 VanDerWaalsContact CD1-O 3.24Å; L45-A94 WeakPolarHBondContact CD1-O 3.34Å; L45-A94 PolarHBondContact N-O 2.92Å; L45-A94 WeakPolarHBondContact O-CB 3.41Å; L45-R96 HydrophobicContact CD1-CG 3.89Å; L45-T115 HydrophobicContact CD2-CG2 4.41Å; L45-T115 WeakPolarHBondContact CD2-OG1 3.23Å
46	S	94.9	Very high	96	Very high	31 Å²	31	38.5 Å²	38.5	22%	0.217	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-61.3	154.4	167.6	59	0	0	0	0	111.6	V24 G48 H49	V24-S46 PolarHBondContact N-OG 3.1Å; V24-S46 PolarHBondContact O-N 2.92Å; S46-G48 PolarHBondContact O-N 3.31Å; S46-H49 PolarHBondContact O-N 3Å; S46-H49 PolarHBondContact O-ND1 3.25Å; S46-H49 VanDerWaalsContact O-ND1 3.16Å; S46-H49 PolarHBondContact OG-CE1 2.8Å; S46-H49 PolarHBondContact OG-ND1 2.98Å
47	S	91.3	Very high	96	Very high	113 Å²	113	38 Å²	38	79%	0.79	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	140.2	179.1	56.1	0	0	0	0	112.4	H49	S47-H49 PolarHBondContact O-ND1 2.9Å
48	G	90	Very high	96	Very high	74 Å²	74	36.3 Å²	36.3	76%	0.763	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.4	-9.3	179.6	0	0	0	0	0	114.9	S46	S46-G48 PolarHBondContact O-N 3.31Å
49	H	92.6	Very high	96	Very high	16 Å²	16	35.3 Å²	35.3	7%	0.074	22%	0.219	C	C	.	.			trans	-109.7	20.5	-176.5	-52.6	92.4	0	0	0	113	S21 P23 L45 S46 S47 S51 Y52	S21-H49 PolarHBondContact O-NE2 2.91Å; P23-H49 HydrophobicContact CB-CB 4.39Å; L45-H49 HydrophobicContact CB-CB 4.28Å; L45-H49 HydrophobicContact CD2-CB 3.87Å; S46-H49 PolarHBondContact O-N 3Å; S46-H49 PolarHBondContact O-ND1 3.25Å; S46-H49 VanDerWaalsContact O-ND1 3.16Å; S46-H49 PolarHBondContact OG-CE1 2.8Å; S46-H49 PolarHBondContact OG-ND1 2.98Å; S47-H49 PolarHBondContact O-ND1 2.9Å; H49-S51 PolarHBondContact O-N 3.18Å; H49-S51 VanDerWaalsContact O-N 3.12Å; H49-Y52 HydrophobicContact CB-CD1 4.37Å; H49-Y52 HydrophobicContact CB-CD2 3.92Å; H49-Y52 HydrophobicContact CB-CE2 4.34Å; H49-Y52 HydrophobicContact CB-CG 3.97Å; H49-Y52 AromaticContact CD2-CE1 3.88Å; H49-Y52 AromaticContact CD2-CE2 3.78Å; H49-Y52 AromaticContact CD2-CZ 3.6Å; H49-Y52 VanDerWaalsContact O-CB 3.27Å; H49-Y52 WeakPolarHBondContact O-CB 3.44Å; H49-Y52 PolarHBondContact O-N 2.81Å
50	S	92	Very high	96	Very high	66 Å²	66	36.6 Å²	36.6	46%	0.462	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.1	-175.6	59.4	0	0	0	0	114.1	Y52 R96	S50-Y52 VanDerWaalsContact C-N 3.34Å; S50-R96 PolarHBondContact O-NH2 3.43Å
51	S	92.5	Very high	96	Very high	61 Å²	61	37 Å²	37	43%	0.427	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-14.8	172.8	55.4	0	0	0	0	113.4	H49	H49-S51 PolarHBondContact O-N 3.18Å; H49-S51 VanDerWaalsContact O-N 3.12Å
52	Y	94.8	Very high	95.9	Very high	44 Å²	44	40.3 Å²	40.3	17%	0.173	28%	0.277	C	S	.	.			trans	-67.4	153.1	-174.3	-79.1	-137.6	0	0	0	111.1	P23 L45 H49 S50 R96 T115 W116 D117	P23-Y52 HydrophobicContact CB-CD1 4.25Å; P23-Y52 HydrophobicContact CB-CE1 4.21Å; P23-Y52 HydrophobicContact CG-CD1 4.17Å; P23-Y52 HydrophobicContact CG-CE1 3.83Å; L45-Y52 HydrophobicContact CD2-CG 4.43Å; H49-Y52 HydrophobicContact CB-CD1 4.37Å; H49-Y52 HydrophobicContact CB-CD2 3.92Å; H49-Y52 HydrophobicContact CB-CE2 4.34Å; H49-Y52 HydrophobicContact CB-CG 3.97Å; H49-Y52 AromaticContact CD2-CE1 3.88Å; H49-Y52 AromaticContact CD2-CE2 3.78Å; H49-Y52 AromaticContact CD2-CZ 3.6Å; H49-Y52 VanDerWaalsContact O-CB 3.27Å; H49-Y52 WeakPolarHBondContact O-CB 3.44Å; H49-Y52 PolarHBondContact O-N 2.81Å; S50-Y52 VanDerWaalsContact C-N 3.34Å; Y52-R96 PolarHBondContact O-NH2 2.89Å; Y52-T115 WeakPolarHBondContact CB-OG1 3.44Å; Y52-T115 HydrophobicContact CD1-CG2 4.46Å; Y52-W116 WeakPolarHBondContact CB-O 3.22Å; Y52-W116 VanDerWaalsContact CD1-C 3.41Å; Y52-W116 WeakPolarHBondContact CD1-O 3.25Å; Y52-D117 HydrophobicContact CE1-CB 4.11Å; Y52-D117 HydrophobicContact CE2-CB 4.12Å
53	I	96.2	Very high	95.8	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.036	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	144.4	178.8	-57.4	-176.6	0	0	0	108.3	K70 T115 W116	I53-K70 VanDerWaalsContact CD1-CE 3.48Å; I53-K70 HydrophobicContact CG2-CD 4.13Å; I53-K70 HydrophobicContact CG2-CG 3.47Å; I53-K70 VanDerWaalsContact CG2-CG 3.47Å; I53-T115 VanDerWaalsContact O-CA 3.23Å; I53-T115 WeakPolarHBondContact O-CA 3.4Å; I53-T115 WeakPolarHBondContact O-CB 3.38Å; I53-T115 PolarHBondContact O-OG1 3.44Å; I53-W116 HydrophobicContact CB-CD2 4.19Å; I53-W116 HydrophobicContact CB-CH2 4.49Å; I53-W116 HydrophobicContact CB-CZ2 3.99Å; I53-W116 HydrophobicContact CG2-CD2 4.4Å; I53-W116 HydrophobicContact CG2-CH2 3.7Å; I53-W116 HydrophobicContact CG2-CZ2 3.38Å; I53-W116 HydrophobicContact CG2-CZ3 4.34Å; I53-W116 PolarHBondContact N-O 2.78Å; I53-W116 PolarHBondContact O-N 2.91Å
54	I	97.7	Very high	95.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.8	167.9	-74.5	-65.8	0	0	0	110.2	L25 L45 K70 L71 R96 C113 E114	L25-I54 HydrophobicContact CD1-CD1 3.95Å; L25-I54 HydrophobicContact CD2-CD1 3.67Å; L25-I54 HydrophobicContact CG-CD1 4.47Å; L45-I54 HydrophobicContact CD1-CD1 4.34Å; L45-I54 HydrophobicContact CD1-CG1 3.98Å; L45-I54 HydrophobicContact CD2-CD1 4.46Å; L45-I54 HydrophobicContact CG-CD1 4.39Å; I54-K70 CarbonylContact O-C 3.57Å; I54-K70 WeakPolarHBondContact O-CA 3.31Å; I54-L71 PolarHBondContact N-O 3.04Å; I54-L71 PolarHBondContact O-N 2.74Å; I54-R96 HydrophobicContact CB-CB 4.07Å; I54-R96 HydrophobicContact CB-CG 3.85Å; I54-R96 HydrophobicContact CG1-CB 3.9Å; I54-R96 HydrophobicContact CG1-CG 3.46Å; I54-R96 VanDerWaalsContact CG1-CG 3.46Å; I54-R96 HydrophobicContact CG2-CB 4.22Å; I54-C113 HydrophobicContact CD1-CB 4.31Å; I54-C113 HydrophobicContact CG2-CB 3.87Å; I54-E114 CarbonylContact C-O 3.58Å; I54-E114 VanDerWaalsContact CA-O 3.27Å; I54-E114 WeakPolarHBondContact CA-O 3.42Å; I54-E114 WeakPolarHBondContact CD1-O 3.27Å
55	A	98.1	Very high	95.8	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	138.4	159.4	0	0	0	0	0	110.8	Y67 M69 C113 E114 W116	A55-Y67 HydrophobicContact CB-CD2 4.32Å; A55-Y67 HydrophobicContact CB-CE2 4.01Å; A55-M69 CarbonylContact C-O 3.57Å; A55-M69 VanDerWaalsContact CA-O 3.23Å; A55-M69 WeakPolarHBondContact CA-O 3.25Å; A55-C113 VanDerWaalsContact O-CA 3.3Å; A55-C113 WeakPolarHBondContact O-CA 3.03Å; A55-E114 HydrophobicContact CB-CB 4.49Å; A55-E114 PolarHBondContact N-O 2.92Å; A55-E114 PolarHBondContact O-N 3.02Å; A55-W116 HydrophobicContact CB-CH2 3.75Å; A55-W116 HydrophobicContact CB-CZ3 3.54Å
56	W	98.5	Very high	95.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.7	168.3	-75	98.7	0	0	0	110.5	L41 C43 L68 M69 L98 C113	L41-W56 HydrophobicContact CB-CH2 3.92Å; L41-W56 HydrophobicContact CB-CZ3 4.17Å; L41-W56 HydrophobicContact CD1-CZ3 4.5Å; C43-W56 HydrophobicContact CB-CH2 3.74Å; C43-W56 HydrophobicContact CB-CZ2 3.7Å; W56-L68 HydrophobicContact CB-CB 4.35Å; W56-L68 WeakPolarHBondContact O-CB 3.26Å; W56-L68 PolarHBondContact O-N 3.47Å; W56-M69 PolarHBondContact N-O 3.34Å; W56-M69 PolarHBondContact O-N 3.03Å; W56-L98 HydrophobicContact CB-CD2 4.29Å; W56-L98 HydrophobicContact CD2-CB 3.67Å; W56-L98 HydrophobicContact CD2-CD2 4.11Å; W56-L98 HydrophobicContact CD2-CG 4.46Å; W56-L98 HydrophobicContact CE3-CB 4.16Å; W56-L98 HydrophobicContact CE3-CD2 4.13Å; W56-L98 HydrophobicContact CG-CB 4Å; W56-L98 HydrophobicContact CG-CD2 4.19Å; W56-L98 HydrophobicContact CH2-CB 4.37Å; W56-L98 HydrophobicContact CZ2-CB 3.92Å; W56-L98 HydrophobicContact CZ3-CB 4.48Å; W56-C113 HydrophobicContact CE3-CB 4.42Å; W56-C113 HydrophobicContact CZ3-CB 4.38Å
57	H	98.3	Very high	96	Very high	34 Å²	34	57.1 Å²	57.1	16%	0.157	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.1	174.9	-62.5	89.2	0	0	0	110.1	P65 R66 Y67 Y111 Y112 E114	H57-P65 HydrophobicContact CB-CB 4.45Å; H57-R66 CarbonylContact C-O 3.58Å; H57-R66 VanDerWaalsContact CA-O 3.26Å; H57-R66 WeakPolarHBondContact CA-O 3.43Å; H57-Y67 AromaticContact NE2-CD2 3.91Å; H57-Y111 VanDerWaalsContact O-CA 3.31Å; H57-Y111 WeakPolarHBondContact O-CA 3.06Å; H57-Y112 PolarHBondContact N-O 3.04Å; H57-Y112 PolarHBondContact O-N 3.12Å; H57-E114 IonicContact CE1-OE2 3.24Å; H57-E114 PolarHBondContact CE1-OE2 3.23Å; H57-E114 VanDerWaalsContact CE1-OE2 3.24Å
58	Q	98.3	Very high	96.3	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.023	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.4	173.6	-178.1	-171	40.7	0	0	109.2	P65 R66 L68 A109 D110 Y111	Q58-P65 WeakPolarHBondContact O-CA 3.38Å; Q58-R66 HydrophobicContact CB-CG 4.05Å; Q58-R66 PolarHBondContact N-O 2.67Å; Q58-R66 WeakPolarHBondContact O-CG 3.45Å; Q58-R66 PolarHBondContact O-N 2.96Å; Q58-L68 HydrophobicContact CB-CD1 3.72Å; Q58-L68 HydrophobicContact CB-CD2 4.02Å; Q58-L68 HydrophobicContact CB-CG 3.85Å; Q58-A109 HydrophobicContact CG-CB 3.49Å; Q58-A109 VanDerWaalsContact CG-CB 3.49Å; Q58-D110 CarbonylContact C-O 3.6Å; Q58-D110 WeakPolarHBondContact CA-O 3.27Å; Q58-Y111 HydrophobicContact CB-CD1 4.24Å; Q58-Y111 HydrophobicContact CB-CE1 3.98Å; Q58-Y111 HydrophobicContact CG-CD1 4.42Å; Q58-Y111 HydrophobicContact CG-CE1 3.87Å; Q58-Y111 PolarHBondContact NE2-OH 3.28Å
59	Q	98.1	Very high	96.7	Very high	56 Å²	56	48.2 Å²	48.2	26%	0.262	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	108.8	174.8	-172.2	174.7	14	0	0	110.1	K63 P65 A109 D110 Y112	Q59-K63 WeakPolarHBondContact CG-O 3.25Å; Q59-K63 PolarHBondContact NE2-O 2.82Å; Q59-P65 HydrophobicContact CB-CG 4.36Å; Q59-P65 HydrophobicContact CG-CG 4.28Å; Q59-A109 WeakPolarHBondContact O-CB 3.46Å; Q59-D110 HydrophobicContact CB-CB 4.41Å; Q59-D110 PolarHBondContact N-O 2.97Å; Q59-D110 PolarHBondContact O-N 2.94Å; Q59-Y112 HydrophobicContact CB-CD2 4.4Å; Q59-Y112 HydrophobicContact CB-CE2 3.87Å
60	Q	97.1	Very high	96.9	Very high	46 Å²	46	50.4 Å²	50.4	22%	0.215	29%	0.293	C	S	.	.			trans	-78.2	154.3	170.1	-72	176.1	-16.2	0	0	110.3	G62 K63 E106 A109	Q60-G62 PolarHBondContact O-N 2.95Å; Q60-K63 HydrophobicContact CB-CB 4.41Å; Q60-K63 HydrophobicContact CB-CD 4.12Å; Q60-K63 HydrophobicContact CB-CG 4.37Å; Q60-K63 PolarHBondContact O-N 2.84Å; Q60-E106 PolarHBondContact NE2-O 3.49Å; Q60-A109 HydrophobicContact CG-CB 4.07Å
61	P	96.7	Very high	97.2	Very high	116 Å²	116	47.2 Å²	47.2	75%	0.753	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	127.1	177.1	-28.5	35.6	0	0	0	112.6	K63	P61-K63 VanDerWaalsContact C-N 3.25Å; P61-K63 PolarHBondContact O-N 2.77Å
62	G	96.9	Very high	97.4	Very high	91 Å²	91	47.6 Å²	47.6	94%	0.938	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	6.6	179	0	0	0	0	0	115.8	Q60	Q60-G62 PolarHBondContact O-N 2.95Å
63	K	96.9	Very high	97.3	Very high	125 Å²	125	47 Å²	47	54%	0.543	27%	0.273	S	S	.	.	S	Bend	trans	-111.1	157.6	176.3	-60.2	-169.4	-172.9	168.3	0	111.5	Q59 Q60 P61	Q59-K63 WeakPolarHBondContact CG-O 3.25Å; Q59-K63 PolarHBondContact NE2-O 2.82Å; Q60-K63 HydrophobicContact CB-CB 4.41Å; Q60-K63 HydrophobicContact CB-CD 4.12Å; Q60-K63 HydrophobicContact CB-CG 4.37Å; Q60-K63 PolarHBondContact O-N 2.84Å; P61-K63 VanDerWaalsContact C-N 3.25Å; P61-K63 PolarHBondContact O-N 2.77Å
64	A	97	Very high	97.2	Very high	81 Å²	81	51.2 Å²	51.2	67%	0.669	30%	0.303	S	S	*	.			trans	-69.2	151.4	168.5	0	0	0	0	0	110.4	R66	A64-R66 PolarHBondContact O-N 3.4Å
65	P	97.1	Very high	97.1	Very high	73 Å²	73	52.2 Å²	52.2	47%	0.474	31%	0.313	S	S	.	.			trans	-55.2	133.3	170.7	-24.5	34.1	0	0	0	111.5	H57 Q58 Q59	H57-P65 HydrophobicContact CB-CB 4.45Å; Q58-P65 WeakPolarHBondContact O-CA 3.38Å; Q59-P65 HydrophobicContact CB-CG 4.36Å; Q59-P65 HydrophobicContact CG-CG 4.28Å
66	R	97.4	Very high	97.1	Very high	99 Å²	99	54.5 Å²	54.5	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	141.7	170.7	67.5	174.5	-70.5	-149.5	7.3	110.4	H57 Q58 A64 L68 G82	H57-R66 CarbonylContact C-O 3.58Å; H57-R66 VanDerWaalsContact CA-O 3.26Å; H57-R66 WeakPolarHBondContact CA-O 3.43Å; Q58-R66 HydrophobicContact CB-CG 4.05Å; Q58-R66 PolarHBondContact N-O 2.67Å; Q58-R66 WeakPolarHBondContact O-CG 3.45Å; Q58-R66 PolarHBondContact O-N 2.96Å; A64-R66 PolarHBondContact O-N 3.4Å; R66-L68 HydrophobicContact CG-CD2 4.45Å; R66-G82 PolarHBondContact NH2-O 3.3Å
67	Y	98.3	Very high	97	Very high	91 Å²	91	58.5 Å²	58.5	36%	0.357	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.6	172.6	173.6	-97	0	0	0	111.1	A55 H57 K70	A55-Y67 HydrophobicContact CB-CD2 4.32Å; A55-Y67 HydrophobicContact CB-CE2 4.01Å; H57-Y67 AromaticContact NE2-CD2 3.91Å; Y67-K70 HydrophobicContact CE2-CB 4.46Å; Y67-K70 WeakPolarHBondContact OH-CB 3.49Å; Y67-K70 PolarHBondContact OH-N 3.1Å
68	L	98.4	Very high	97	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-51.8	175.4	-66.7	-174.5	0	0	0	112.8	W56 Q58 R66 K79 G80 V83 F87 L98 Y111	W56-L68 HydrophobicContact CB-CB 4.35Å; W56-L68 WeakPolarHBondContact O-CB 3.26Å; W56-L68 PolarHBondContact O-N 3.47Å; Q58-L68 HydrophobicContact CB-CD1 3.72Å; Q58-L68 HydrophobicContact CB-CD2 4.02Å; Q58-L68 HydrophobicContact CB-CG 3.85Å; R66-L68 HydrophobicContact CG-CD2 4.45Å; L68-K79 CarbonylContact O-C 3.57Å; L68-K79 WeakPolarHBondContact O-CA 3.5Å; L68-G80 PolarHBondContact O-N 2.83Å; L68-V83 HydrophobicContact CD2-CG1 4.37Å; L68-V83 HydrophobicContact CD2-CG2 3.99Å; L68-V83 WeakPolarHBondContact O-CG2 3.46Å; L68-F87 HydrophobicContact CD1-CD1 3.88Å; L68-F87 HydrophobicContact CD1-CE1 3.69Å; L68-F87 HydrophobicContact CD2-CE1 4.46Å; L68-L98 HydrophobicContact CD1-CD2 3.99Å; L68-Y111 HydrophobicContact CD1-CD1 4.03Å; L68-Y111 HydrophobicContact CD1-CE1 3.69Å
69	M	98.1	Very high	97	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	144.6	-165.4	-178.1	178.4	-68.7	0	0	111.9	A55 W56 Y77 N78 K79 G89	A55-M69 CarbonylContact C-O 3.57Å; A55-M69 VanDerWaalsContact CA-O 3.23Å; A55-M69 WeakPolarHBondContact CA-O 3.25Å; W56-M69 PolarHBondContact N-O 3.34Å; W56-M69 PolarHBondContact O-N 3.03Å; M69-Y77 HydrophobicContact CE-CD2 3.36Å; M69-Y77 HydrophobicContact CE-CE2 3.56Å; M69-Y77 HydrophobicContact CE-CG 4.07Å; M69-Y77 HydrophobicContact CG-CD2 4.06Å; M69-Y77 HydrophobicContact CG-CG 4.25Å; M69-Y77 HydrophobicContact SD-CD1 4.38Å; M69-Y77 HydrophobicContact SD-CD2 3.54Å; M69-Y77 VanDerWaalsContact SD-CD2 3.54Å; M69-Y77 HydrophobicContact SD-CE2 4.23Å; M69-Y77 HydrophobicContact SD-CG 3.62Å; M69-N78 VanDerWaalsContact CA-O 3.32Å; M69-N78 WeakPolarHBondContact CA-O 3.5Å; M69-K79 HydrophobicContact CE-CD 4.44Å; M69-K79 HydrophobicContact CE-CG 3.77Å; M69-G89 VanDerWaalsContact SD-CA 3.56Å; M69-G89 PolarHBondContact SD-N 3.02Å
70	K	97.6	Very high	97	Very high	61 Å²	61	62.5 Å²	62.5	27%	0.265	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.1	166	172.5	-171.3	178.5	-170	0	108	I53 I54 Y67 Y77 N78 W116	I53-K70 VanDerWaalsContact CD1-CE 3.48Å; I53-K70 HydrophobicContact CG2-CD 4.13Å; I53-K70 HydrophobicContact CG2-CG 3.47Å; I53-K70 VanDerWaalsContact CG2-CG 3.47Å; I54-K70 CarbonylContact O-C 3.57Å; I54-K70 WeakPolarHBondContact O-CA 3.31Å; Y67-K70 HydrophobicContact CE2-CB 4.46Å; Y67-K70 WeakPolarHBondContact OH-CB 3.49Å; Y67-K70 PolarHBondContact OH-N 3.1Å; K70-Y77 CarbonylContact O-C 3.53Å; K70-Y77 WeakPolarHBondContact O-CA 3.47Å; K70-Y77 WeakPolarHBondContact O-CB 3.32Å; K70-N78 PolarHBondContact N-O 3.09Å; K70-N78 PolarHBondContact O-N 3.16Å; K70-W116 HydrophobicContact CD-CZ2 4.2Å; K70-W116 HydrophobicContact CG-CH2 4.29Å; K70-W116 HydrophobicContact CG-CZ2 4.21Å
71	L	97.4	Very high	96.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.3	-176.1	-179	68.6	0	0	0	110	I54 Y77 S90 S91 R96	I54-L71 PolarHBondContact N-O 3.04Å; I54-L71 PolarHBondContact O-N 2.74Å; L71-Y77 HydrophobicContact CD1-CD1 4.17Å; L71-Y77 HydrophobicContact CD1-CG 4.39Å; L71-S90 WeakPolarHBondContact CD2-O 3.32Å; L71-S91 WeakPolarHBondContact CG-OG 3.03Å; L71-R96 HydrophobicContact CD2-CB 3.82Å; L71-R96 HydrophobicContact CD2-CG 4.24Å
72	E	96.1	Very high	97	Very high	69 Å²	69	63.8 Å²	63.8	32%	0.322	40%	0.397	S	S	.	.			trans	-93.6	165.5	-179.9	-61	-177.6	-177.5	0	0	112	S74 G75 S76 S91	E72-S74 PolarHBondContact O-N 2.83Å; E72-G75 PolarHBondContact O-N 2.86Å; E72-S76 WeakPolarHBondContact CB-OG 3.4Å; E72-S76 VanDerWaalsContact CD-OG 3.27Å; E72-S76 PolarHBondContact N-O 2.64Å; E72-S76 PolarHBondContact OE2-OG 2.84Å; E72-S91 PolarHBondContact O-OG 2.79Å
73	G	94	Very high	97	Very high	32 Å²	32	60.1 Å²	60.1	33%	0.33	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.9	175.1	0	0	0	0	0	114.4	G75	G73-G75 VanDerWaalsContact C-N 3.25Å; G73-G75 PolarHBondContact O-N 3.04Å
74	S	94.5	Very high	97.1	Very high	94 Å²	94	56.2 Å²	56.2	66%	0.657	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.6	174.1	63	0	0	0	0	113.8	E72 S76	E72-S74 PolarHBondContact O-N 2.83Å; S74-S76 PolarHBondContact OG-N 3.11Å; S74-S76 PolarHBondContact OG-OG 2.8Å
75	G	95.4	Very high	97.1	Very high	21 Å²	21	59.3 Å²	59.3	22%	0.216	35%	0.348	C	S	.	.	S	Bend	trans	89.5	-2.8	-170.8	0	0	0	0	0	114.3	E72 G73	E72-G75 PolarHBondContact O-N 2.86Å; G73-G75 VanDerWaalsContact C-N 3.25Å; G73-G75 PolarHBondContact O-N 3.04Å
76	S	96.9	Very high	97.2	Very high	51 Å²	51	58.4 Å²	58.4	36%	0.357	34%	0.335	S	S	.	.			trans	-66.1	146	168.9	68.3	0	0	0	0	110.4	E72 S74	E72-S76 WeakPolarHBondContact CB-OG 3.4Å; E72-S76 VanDerWaalsContact CD-OG 3.27Å; E72-S76 PolarHBondContact N-O 2.64Å; E72-S76 PolarHBondContact OE2-OG 2.84Å; S74-S76 PolarHBondContact OG-N 3.11Å; S74-S76 PolarHBondContact OG-OG 2.8Å
77	Y	97.5	Very high	97.2	Very high	84 Å²	84	53.7 Å²	53.7	33%	0.329	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	155.8	177.9	63.8	-94.5	0	0	0	113.7	M69 K70 L71 K79 G89	M69-Y77 HydrophobicContact CE-CD2 3.36Å; M69-Y77 HydrophobicContact CE-CE2 3.56Å; M69-Y77 HydrophobicContact CE-CG 4.07Å; M69-Y77 HydrophobicContact CG-CD2 4.06Å; M69-Y77 HydrophobicContact CG-CG 4.25Å; M69-Y77 HydrophobicContact SD-CD1 4.38Å; M69-Y77 HydrophobicContact SD-CD2 3.54Å; M69-Y77 VanDerWaalsContact SD-CD2 3.54Å; M69-Y77 HydrophobicContact SD-CE2 4.23Å; M69-Y77 HydrophobicContact SD-CG 3.62Å; K70-Y77 CarbonylContact O-C 3.53Å; K70-Y77 WeakPolarHBondContact O-CA 3.47Å; K70-Y77 WeakPolarHBondContact O-CB 3.32Å; L71-Y77 HydrophobicContact CD1-CD1 4.17Å; L71-Y77 HydrophobicContact CD1-CG 4.39Å; Y77-K79 HydrophobicContact CD2-CG 4.34Å; Y77-K79 HydrophobicContact CE2-CG 4.27Å; Y77-G89 WeakPolarHBondContact CD1-O 3.48Å; Y77-G89 VanDerWaalsContact CE1-O 3.26Å; Y77-G89 WeakPolarHBondContact CE1-O 2.97Å
78	N	97.3	Very high	97.2	Very high	102 Å²	102	51.1 Å²	51.1	55%	0.545	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.8	173.2	-65.3	-70.1	0	0	0	109.4	M69 K70	M69-N78 VanDerWaalsContact CA-O 3.32Å; M69-N78 WeakPolarHBondContact CA-O 3.5Å; K70-N78 PolarHBondContact N-O 3.09Å; K70-N78 PolarHBondContact O-N 3.16Å
79	K	98.2	Very high	97.2	Very high	63 Å²	63	51.6 Å²	51.6	27%	0.274	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.3	177.5	-65.3	-179.6	-159.7	-176.8	0	110.8	L68 M69 Y77 V83 D85 F87	L68-K79 CarbonylContact O-C 3.57Å; L68-K79 WeakPolarHBondContact O-CA 3.5Å; M69-K79 HydrophobicContact CE-CD 4.44Å; M69-K79 HydrophobicContact CE-CG 3.77Å; Y77-K79 HydrophobicContact CD2-CG 4.34Å; Y77-K79 HydrophobicContact CE2-CG 4.27Å; K79-V83 HydrophobicContact CB-CB 4.14Å; K79-V83 HydrophobicContact CB-CG1 4.34Å; K79-V83 HydrophobicContact CD-CG1 4.24Å; K79-V83 HydrophobicContact CG-CG1 4.37Å; K79-D85 VanDerWaalsContact NZ-CA 3.33Å; K79-D85 PolarHBondContact NZ-O 2.9Å; K79-D85 VanDerWaalsContact NZ-O 3.09Å; K79-D85 IonicContact NZ-OD1 3.4Å; K79-D85 PolarHBondContact NZ-OD1 3.37Å; K79-F87 WeakPolarHBondContact CE-O 3.22Å; K79-F87 PolarHBondContact NZ-O 3.13Å
80	G	97.6	Very high	97.2	Very high	13 Å²	13	53.6 Å²	53.6	13%	0.134	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.3	163.2	166.6	0	0	0	0	0	112	L68 G82 V83	L68-G80 PolarHBondContact O-N 2.83Å; G80-G82 PolarHBondContact O-N 3.34Å; G80-V83 WeakPolarHBondContact O-CB 3.28Å; G80-V83 WeakPolarHBondContact O-CG2 3.35Å; G80-V83 PolarHBondContact O-N 3.32Å
81	S	96.8	Very high	97.2	Very high	126 Å²	126	52 Å²	52	88%	0.881	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	135.5	175.8	-173	0	0	0	0	111.3	V83	S81-V83 VanDerWaalsContact C-N 3.26Å; S81-V83 PolarHBondContact O-N 3.44Å
82	G	97.1	Very high	97.1	Very high	64 Å²	64	55.6 Å²	55.6	66%	0.66	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	17.4	179.2	0	0	0	0	0	114.9	R66 G80	R66-G82 PolarHBondContact NH2-O 3.3Å; G80-G82 PolarHBondContact O-N 3.34Å
83	V	97.9	Very high	97	Very high	13 Å²	13	55 Å²	55	8%	0.079	37%	0.366	C	S	.	.			trans	-86.2	120.8	173	176.3	0	0	0	0	108.9	L68 K79 G80 S81 F87	L68-V83 HydrophobicContact CD2-CG1 4.37Å; L68-V83 HydrophobicContact CD2-CG2 3.99Å; L68-V83 WeakPolarHBondContact O-CG2 3.46Å; K79-V83 HydrophobicContact CB-CB 4.14Å; K79-V83 HydrophobicContact CB-CG1 4.34Å; K79-V83 HydrophobicContact CD-CG1 4.24Å; K79-V83 HydrophobicContact CG-CG1 4.37Å; G80-V83 WeakPolarHBondContact O-CB 3.28Å; G80-V83 WeakPolarHBondContact O-CG2 3.35Å; G80-V83 PolarHBondContact O-N 3.32Å; S81-V83 VanDerWaalsContact C-N 3.26Å; S81-V83 PolarHBondContact O-N 3.44Å; V83-F87 HydrophobicContact CG1-CB 3.86Å; V83-F87 HydrophobicContact CG1-CD2 4.26Å; V83-F87 HydrophobicContact CG1-CG 3.97Å
84	P	97.9	Very high	97	Very high	43 Å²	43	55 Å²	55	28%	0.279	36%	0.363	S	S	.	.			trans	-63.8	156	-174.2	-24.7	35.6	0	0	0	114	R86 F87	P84-R86 HydrophobicContact CB-CG 4.23Å; P84-R86 VanDerWaalsContact CB-NH1 3.32Å; P84-R86 VanDerWaalsContact CG-NH1 3.33Å; P84-R86 PolarHBondContact O-N 2.84Å; P84-R86 VanDerWaalsContact O-N 3.1Å; P84-F87 HydrophobicContact CB-CD2 4.22Å; P84-F87 HydrophobicContact CB-CE2 4.47Å; P84-F87 HydrophobicContact CG-CD2 4.38Å; P84-F87 HydrophobicContact CG-CE2 4.26Å; P84-F87 PolarHBondContact O-N 3.4Å; P84-F87 VanDerWaalsContact O-N 3.11Å
85	D	97.8	Very high	97.1	Very high	146 Å²	146	52.5 Å²	52.5	78%	0.781	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.3	-177.2	-79.4	-31.7	0	0	0	114.8	K79 F87	K79-D85 VanDerWaalsContact NZ-CA 3.33Å; K79-D85 PolarHBondContact NZ-O 2.9Å; K79-D85 VanDerWaalsContact NZ-O 3.09Å; K79-D85 IonicContact NZ-OD1 3.4Å; K79-D85 PolarHBondContact NZ-OD1 3.37Å; D85-F87 PolarHBondContact O-N 2.03Å; D85-F87 VanDerWaalsContact O-N 3.16Å
86	R	98.3	Very high	97.2	Very high	54 Å²	54	51.5 Å²	51.5	20%	0.204	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.8	176.4	84.7	-179	170.5	-95.6	1.3	114.4	P84 I100 S101 D107	P84-R86 HydrophobicContact CB-CG 4.23Å; P84-R86 VanDerWaalsContact CB-NH1 3.32Å; P84-R86 VanDerWaalsContact CG-NH1 3.33Å; P84-R86 PolarHBondContact O-N 2.84Å; P84-R86 VanDerWaalsContact O-N 3.1Å; R86-I100 HydrophobicContact CG-CG2 4.12Å; R86-I100 WeakPolarHBondContact O-CA 3.36Å; R86-S101 WeakPolarHBondContact CA-OG 3.24Å; R86-S101 VanDerWaalsContact CB-O 3.22Å; R86-S101 WeakPolarHBondContact CB-O 3.45Å; R86-S101 VanDerWaalsContact CD-O 3.25Å; R86-S101 WeakPolarHBondContact CD-O 3.21Å; R86-S101 WeakPolarHBondContact CG-O 3.17Å; R86-S101 PolarHBondContact O-N 3.42Å; R86-S101 PolarHBondContact O-OG 2.75Å; R86-D107 IonicContact CZ-OD1 3.42Å; R86-D107 IonicContact CZ-OD2 3.47Å; R86-D107 IonicContact NE-OD1 2.83Å; R86-D107 PolarHBondContact NE-OD1 2.91Å; R86-D107 IonicContact NE-OD2 3.47Å; R86-D107 PolarHBondContact NE-OD2 3.02Å; R86-D107 VanDerWaalsContact NH2-CG 3.33Å; R86-D107 IonicContact NH2-OD1 3.26Å; R86-D107 PolarHBondContact NH2-OD1 2.85Å; R86-D107 IonicContact NH2-OD2 2.67Å; R86-D107 PolarHBondContact NH2-OD2 3.32Å
87	F	98.5	Very high	97.3	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	128	173.5	-70.7	-107.8	0	0	0	110	L68 K79 V83 P84 D85 L98 T99 I100 D107 Y111	L68-F87 HydrophobicContact CD1-CD1 3.88Å; L68-F87 HydrophobicContact CD1-CE1 3.69Å; L68-F87 HydrophobicContact CD2-CE1 4.46Å; K79-F87 WeakPolarHBondContact CE-O 3.22Å; K79-F87 PolarHBondContact NZ-O 3.13Å; V83-F87 HydrophobicContact CG1-CB 3.86Å; V83-F87 HydrophobicContact CG1-CD2 4.26Å; V83-F87 HydrophobicContact CG1-CG 3.97Å; P84-F87 HydrophobicContact CB-CD2 4.22Å; P84-F87 HydrophobicContact CB-CE2 4.47Å; P84-F87 HydrophobicContact CG-CD2 4.38Å; P84-F87 HydrophobicContact CG-CE2 4.26Å; P84-F87 PolarHBondContact O-N 3.4Å; P84-F87 VanDerWaalsContact O-N 3.11Å; D85-F87 PolarHBondContact O-N 2.03Å; D85-F87 VanDerWaalsContact O-N 3.16Å; F87-L98 HydrophobicContact CD1-CD1 4.12Å; F87-L98 HydrophobicContact CD1-CD2 4.46Å; F87-T99 CarbonylContact C-O 3.59Å; F87-T99 WeakPolarHBondContact CA-O 3.45Å; F87-I100 HydrophobicContact CD1-CD1 4.3Å; F87-I100 HydrophobicContact CD1-CG1 3.92Å; F87-I100 HydrophobicContact CE1-CD1 3.66Å; F87-I100 HydrophobicContact CE1-CG1 3.77Å; F87-I100 HydrophobicContact CE1-CG2 4.37Å; F87-I100 HydrophobicContact CE2-CG2 4.18Å; F87-I100 HydrophobicContact CZ-CD1 4.12Å; F87-I100 HydrophobicContact CZ-CG1 4.32Å; F87-I100 HydrophobicContact CZ-CG2 4.1Å; F87-D107 VanDerWaalsContact CZ-OD1 3.25Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.47Å; F87-Y111 HydrophobicContact CE1-CE1 4.16Å
88	S	98.4	Very high	97.3	Very high	36 Å²	36	46.6 Å²	46.6	25%	0.252	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.2	179.5	57.4	0	0	0	0	111.8	T99	S88-T99 PolarHBondContact N-O 3.24Å; S88-T99 PolarHBondContact O-N 3.43Å; S88-T99 WeakPolarHBondContact OG-CB 3.37Å; S88-T99 PolarHBondContact OG-O 2.85Å
89	G	98.1	Very high	97.4	Very high	10 Å²	10	43.2 Å²	43.2	10%	0.103	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.4	178.6	0	0	0	0	0	112.2	M69 Y77 Y97	M69-G89 VanDerWaalsContact SD-CA 3.56Å; M69-G89 PolarHBondContact SD-N 3.02Å; Y77-G89 WeakPolarHBondContact CD1-O 3.48Å; Y77-G89 VanDerWaalsContact CE1-O 3.26Å; Y77-G89 WeakPolarHBondContact CE1-O 2.97Å; G89-Y97 WeakPolarHBondContact CA-O 2.98Å
90	S	97.9	Very high	97.4	Very high	42 Å²	42	40.2 Å²	40.2	29%	0.294	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	153.6	167.6	57.8	0	0	0	0	110.9	L71 Y97	L71-S90 WeakPolarHBondContact CD2-O 3.32Å; S90-Y97 PolarHBondContact N-O 2.98Å; S90-Y97 WeakPolarHBondContact O-CD2 3.26Å; S90-Y97 PolarHBondContact O-N 2.86Å
91	S	96.9	Very high	97.4	Very high	29 Å²	29	41.8 Å²	41.8	20%	0.203	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144.8	-175.9	-57.9	0	0	0	0	110.7	L71 E72 D95 R96	L71-S91 WeakPolarHBondContact CG-OG 3.03Å; E72-S91 PolarHBondContact O-OG 2.79Å; S91-D95 WeakPolarHBondContact CA-O 3.46Å; S91-R96 WeakPolarHBondContact OG-CD 3.45Å
92	S	95.6	Very high	97.5	Very high	74 Å²	74	40.1 Å²	40.1	52%	0.517	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	109.2	171	-169.3	0	0	0	0	110.2	A94 D95	S92-A94 PolarHBondContact O-N 3.49Å; S92-A94 VanDerWaalsContact O-N 3.13Å; S92-D95 PolarHBondContact N-O 2.95Å; S92-D95 WeakPolarHBondContact O-CB 3.47Å; S92-D95 PolarHBondContact O-N 2.85Å
93	G	94.1	Very high	97.5	Very high	56 Å²	56	38.2 Å²	38.2	58%	0.577	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	-117.9	-175.8	0	0	0	0	0	112.3	D95 R96	G93-D95 VanDerWaalsContact C-N 3.34Å; G93-R96 PolarHBondContact O-NH1 2.81Å
94	A	95	Very high	97.5	Very high	33 Å²	33	40.5 Å²	40.5	27%	0.273	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.7	176.8	0	0	0	0	0	113.7	L45 S92	L45-A94 HydrophobicContact CB-CB 4.38Å; L45-A94 VanDerWaalsContact CD1-O 3.24Å; L45-A94 WeakPolarHBondContact CD1-O 3.34Å; L45-A94 PolarHBondContact N-O 2.92Å; L45-A94 WeakPolarHBondContact O-CB 3.41Å; S92-A94 PolarHBondContact O-N 3.49Å; S92-A94 VanDerWaalsContact O-N 3.13Å
95	D	96.9	Very high	97.5	Very high	41 Å²	41	45.5 Å²	45.5	22%	0.219	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	145.3	179.9	-66.5	-16.9	0	0	0	111.9	T42 T44 S91 S92 G93 Y97	T42-D95 HydrophobicContact CG2-CB 4.41Å; T44-D95 VanDerWaalsContact CB-OD1 3.32Å; T44-D95 WeakPolarHBondContact CB-OD1 3.36Å; T44-D95 WeakPolarHBondContact CG2-OD1 3.43Å; T44-D95 PolarHBondContact OG1-OD1 3.36Å; S91-D95 WeakPolarHBondContact CA-O 3.46Å; S92-D95 PolarHBondContact N-O 2.95Å; S92-D95 WeakPolarHBondContact O-CB 3.47Å; S92-D95 PolarHBondContact O-N 2.85Å; G93-D95 VanDerWaalsContact C-N 3.34Å; D95-Y97 HydrophobicContact CB-CE1 3.82Å; D95-Y97 HydrophobicContact CB-CE2 3.93Å; D95-Y97 VanDerWaalsContact CB-CZ 3.4Å; D95-Y97 VanDerWaalsContact CB-OH 3.28Å; D95-Y97 WeakPolarHBondContact CB-OH 3.4Å; D95-Y97 PolarHBondContact OD2-OH 3.07Å
96	R	97	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.6	172.1	-65	-61.9	-174.2	-81.7	-10.8	108	C43 L45 S50 Y52 I54 L71 S91 G93	C43-R96 PolarHBondContact N-O 2.81Å; C43-R96 PolarHBondContact O-N 2.81Å; L45-R96 HydrophobicContact CD1-CG 3.89Å; S50-R96 PolarHBondContact O-NH2 3.43Å; Y52-R96 PolarHBondContact O-NH2 2.89Å; I54-R96 HydrophobicContact CB-CB 4.07Å; I54-R96 HydrophobicContact CB-CG 3.85Å; I54-R96 HydrophobicContact CG1-CB 3.9Å; I54-R96 HydrophobicContact CG1-CG 3.46Å; I54-R96 VanDerWaalsContact CG1-CG 3.46Å; I54-R96 HydrophobicContact CG2-CB 4.22Å; L71-R96 HydrophobicContact CD2-CB 3.82Å; L71-R96 HydrophobicContact CD2-CG 4.24Å; S91-R96 WeakPolarHBondContact OG-CD 3.45Å; G93-R96 PolarHBondContact O-NH1 2.81Å
97	Y	98	Very high	97.4	Very high	33 Å²	33	41.7 Å²	41.7	13%	0.129	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133	-174.6	-49.7	-72.8	0	0	0	111.3	K40 L41 T42 G89 S90 D95	K40-Y97 HydrophobicContact CD-CD1 4.39Å; K40-Y97 HydrophobicContact CD-CG 4.43Å; K40-Y97 HydrophobicContact CG-CD1 4.45Å; L41-Y97 WeakPolarHBondContact O-CA 3.4Å; T42-Y97 HydrophobicContact CG2-CD1 3.82Å; T42-Y97 HydrophobicContact CG2-CE1 3.54Å; T42-Y97 WeakPolarHBondContact OG1-CD1 3.3Å; T42-Y97 WeakPolarHBondContact OG1-CE1 3.37Å; G89-Y97 WeakPolarHBondContact CA-O 2.98Å; S90-Y97 PolarHBondContact N-O 2.98Å; S90-Y97 WeakPolarHBondContact O-CD2 3.26Å; S90-Y97 PolarHBondContact O-N 2.86Å; D95-Y97 HydrophobicContact CB-CE1 3.82Å; D95-Y97 HydrophobicContact CB-CE2 3.93Å; D95-Y97 VanDerWaalsContact CB-CZ 3.4Å; D95-Y97 VanDerWaalsContact CB-OH 3.28Å; D95-Y97 WeakPolarHBondContact CB-OH 3.4Å; D95-Y97 PolarHBondContact OD2-OH 3.07Å
98	L	98.4	Very high	97.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.6	164.2	175.5	66.4	0	0	0	108.4	K40 L41 W56 L68 F87 I100 Y111	K40-L98 CarbonylContact C-O 3.49Å; K40-L98 WeakPolarHBondContact CA-O 3.48Å; L41-L98 HydrophobicContact CB-CB 4.43Å; L41-L98 HydrophobicContact CD1-CD2 4.39Å; L41-L98 PolarHBondContact N-O 3.08Å; L41-L98 PolarHBondContact O-N 3.41Å; W56-L98 HydrophobicContact CB-CD2 4.29Å; W56-L98 HydrophobicContact CD2-CB 3.67Å; W56-L98 HydrophobicContact CD2-CD2 4.11Å; W56-L98 HydrophobicContact CD2-CG 4.46Å; W56-L98 HydrophobicContact CE3-CB 4.16Å; W56-L98 HydrophobicContact CE3-CD2 4.13Å; W56-L98 HydrophobicContact CG-CB 4Å; W56-L98 HydrophobicContact CG-CD2 4.19Å; W56-L98 HydrophobicContact CH2-CB 4.37Å; W56-L98 HydrophobicContact CZ2-CB 3.92Å; W56-L98 HydrophobicContact CZ3-CB 4.48Å; L68-L98 HydrophobicContact CD1-CD2 3.99Å; F87-L98 HydrophobicContact CD1-CD1 4.12Å; F87-L98 HydrophobicContact CD1-CD2 4.46Å; L98-I100 HydrophobicContact CG-CG1 4.38Å; L98-Y111 HydrophobicContact CD2-CD1 3.69Å; L98-Y111 HydrophobicContact CD2-CE1 3.88Å
99	T	98.3	Very high	97.3	Very high	30 Å²	30	48.7 Å²	48.7	18%	0.184	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.1	174.3	-55.1	0	0	0	0	109.5	V39 F87 S88	V39-T99 WeakPolarHBondContact O-CA 3.5Å; F87-T99 CarbonylContact C-O 3.59Å; F87-T99 WeakPolarHBondContact CA-O 3.45Å; S88-T99 PolarHBondContact N-O 3.24Å; S88-T99 PolarHBondContact O-N 3.43Å; S88-T99 WeakPolarHBondContact OG-CB 3.37Å; S88-T99 PolarHBondContact OG-O 2.85Å
100	I	98.4	Very high	97.3	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	108.8	173.8	-48.3	174.2	0	0	0	106.3	S38 V39 R86 F87 L98 L103 Y111	S38-I100 CarbonylContact C-O 3.56Å; S38-I100 VanDerWaalsContact CA-O 3.25Å; S38-I100 WeakPolarHBondContact CA-O 3.36Å; V39-I100 HydrophobicContact CG1-CB 3.96Å; V39-I100 HydrophobicContact CG1-CD1 4.22Å; V39-I100 HydrophobicContact CG1-CG1 4.31Å; V39-I100 PolarHBondContact N-O 2.83Å; V39-I100 PolarHBondContact O-N 3.26Å; R86-I100 HydrophobicContact CG-CG2 4.12Å; R86-I100 WeakPolarHBondContact O-CA 3.36Å; F87-I100 HydrophobicContact CD1-CD1 4.3Å; F87-I100 HydrophobicContact CD1-CG1 3.92Å; F87-I100 HydrophobicContact CE1-CD1 3.66Å; F87-I100 HydrophobicContact CE1-CG1 3.77Å; F87-I100 HydrophobicContact CE1-CG2 4.37Å; F87-I100 HydrophobicContact CE2-CG2 4.18Å; F87-I100 HydrophobicContact CZ-CD1 4.12Å; F87-I100 HydrophobicContact CZ-CG1 4.32Å; F87-I100 HydrophobicContact CZ-CG2 4.1Å; L98-I100 HydrophobicContact CG-CG1 4.38Å; I100-L103 HydrophobicContact CB-CD1 4.38Å; I100-L103 HydrophobicContact CG2-CD1 3.99Å; I100-Y111 HydrophobicContact CD1-CE1 3.84Å; I100-Y111 HydrophobicContact CD1-CE2 4.35Å; I100-Y111 VanDerWaalsContact CD1-OH 3.25Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.26Å
101	S	98.4	Very high	97.3	Very high	45 Å²	45	52.2 Å²	52.2	32%	0.315	29%	0.291	S	S	.	.			trans	-85.9	160.2	172.4	62.2	0	0	0	0	110.7	R86 L103	R86-S101 WeakPolarHBondContact CA-OG 3.24Å; R86-S101 VanDerWaalsContact CB-O 3.22Å; R86-S101 WeakPolarHBondContact CB-O 3.45Å; R86-S101 VanDerWaalsContact CD-O 3.25Å; R86-S101 WeakPolarHBondContact CD-O 3.21Å; R86-S101 WeakPolarHBondContact CG-O 3.17Å; R86-S101 PolarHBondContact O-N 3.42Å; R86-S101 PolarHBondContact O-OG 2.75Å; S101-L103 VanDerWaalsContact C-N 3.34Å; S101-L103 PolarHBondContact O-N 2.98Å
102	N	98.3	Very high	97.4	Very high	91 Å²	91	55.5 Å²	55.5	49%	0.487	30%	0.3	S	S	.	.	S	Bend	trans	47.1	55.2	178.6	-173	33.6	0	0	0	112.6	G36 S37 Q104	G36-N102 WeakPolarHBondContact CA-OD1 3.46Å; S37-N102 PolarHBondContact O-N 3.43Å; S37-N102 VanDerWaalsContact O-N 3.12Å; N102-Q104 PolarHBondContact ND2-NE2 2.72Å; N102-Q104 WeakPolarHBondContact O-CG 3.42Å; N102-Q104 PolarHBondContact O-N 3.26Å; N102-Q104 PolarHBondContact O-NE2 2.88Å; N102-Q104 PolarHBondContact OD1-NE2 2.96Å
103	L	98.3	Very high	97.4	Very high	24 Å²	24	52.8 Å²	52.8	13%	0.126	28%	0.281	C	S	.	.			trans	-53.2	131.4	-172.9	-170.4	70	0	0	0	112	A33 L35 G36 S37 V39 I100 S101 D107	A33-L103 HydrophobicContact CB-CD2 4.1Å; L35-L103 WeakPolarHBondContact CA-O 3.28Å; G36-L103 PolarHBondContact N-O 3.2Å; S37-L103 WeakPolarHBondContact O-CB 3.34Å; S37-L103 PolarHBondContact O-N 2.98Å; V39-L103 HydrophobicContact CG1-CD1 3.91Å; I100-L103 HydrophobicContact CB-CD1 4.38Å; I100-L103 HydrophobicContact CG2-CD1 3.99Å; S101-L103 VanDerWaalsContact C-N 3.34Å; S101-L103 PolarHBondContact O-N 2.98Å; L103-D107 HydrophobicContact CD1-CB 3.49Å; L103-D107 VanDerWaalsContact CD1-CB 3.49Å; L103-D107 HydrophobicContact CG-CB 4.39Å
104	Q	98	Very high	97.6	Very high	62 Å²	62	55.2 Å²	55.2	29%	0.29	28%	0.277	S	S	.	.			trans	-113.6	166.3	179.4	-56.8	-59.1	-47.3	0	0	111.7	N102 E106 D107	N102-Q104 PolarHBondContact ND2-NE2 2.72Å; N102-Q104 WeakPolarHBondContact O-CG 3.42Å; N102-Q104 PolarHBondContact O-N 3.26Å; N102-Q104 PolarHBondContact O-NE2 2.88Å; N102-Q104 PolarHBondContact OD1-NE2 2.96Å; Q104-E106 VanDerWaalsContact CB-OE2 3.22Å; Q104-E106 WeakPolarHBondContact CB-OE2 3.23Å; Q104-E106 PolarHBondContact O-N 2.92Å; Q104-D107 PolarHBondContact N-OD2 2.78Å; Q104-D107 WeakPolarHBondContact O-CB 3.44Å; Q104-D107 PolarHBondContact O-N 2.93Å; Q104-D107 VanDerWaalsContact O-N 3.08Å
105	F	96.4	Very high	97.7	Very high	148 Å²	148	55 Å²	55	65%	0.649	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-59.7	-33.2	177.8	-73.1	-79.9	0	0	0	112.7	L35 D107 E108	L35-F105 HydrophobicContact CD1-CD1 4.15Å; L35-F105 HydrophobicContact CD1-CD2 4.03Å; L35-F105 HydrophobicContact CD1-CE1 3.56Å; L35-F105 HydrophobicContact CD1-CE2 3.41Å; L35-F105 VanDerWaalsContact CD1-CE2 3.41Å; L35-F105 HydrophobicContact CD1-CG 4.38Å; L35-F105 HydrophobicContact CD1-CZ 3.16Å; L35-F105 HydrophobicContact CD2-CD1 4.22Å; L35-F105 HydrophobicContact CD2-CD2 4.21Å; L35-F105 HydrophobicContact CD2-CE1 4.44Å; L35-F105 HydrophobicContact CD2-CE2 4.43Å; L35-F105 HydrophobicContact CD2-CG 4.12Å; L35-F105 HydrophobicContact CG-CZ 4.44Å; F105-D107 PolarHBondContact O-N 2.79Å; F105-E108 PolarHBondContact O-N 2.96Å
106	E	96.3	Very high	97.6	Very high	112 Å²	112	56.8 Å²	56.8	52%	0.523	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-73.7	-9.4	-179.9	-49	77	-154.9	0	0	113.3	Q60 Q104 E108	Q60-E106 PolarHBondContact NE2-O 3.49Å; Q104-E106 VanDerWaalsContact CB-OE2 3.22Å; Q104-E106 WeakPolarHBondContact CB-OE2 3.23Å; Q104-E106 PolarHBondContact O-N 2.92Å; E106-E108 VanDerWaalsContact C-N 3.31Å
107	D	97.5	Very high	97.3	Very high	7 Å²	7	59 Å²	59	4%	0.037	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-83.7	-7.9	177	-61.7	-35.5	0	0	0	112.5	R86 F87 L103 Q104 F105 A109 Y111	R86-D107 IonicContact CZ-OD1 3.42Å; R86-D107 IonicContact CZ-OD2 3.47Å; R86-D107 IonicContact NE-OD1 2.83Å; R86-D107 PolarHBondContact NE-OD1 2.91Å; R86-D107 IonicContact NE-OD2 3.47Å; R86-D107 PolarHBondContact NE-OD2 3.02Å; R86-D107 VanDerWaalsContact NH2-CG 3.33Å; R86-D107 IonicContact NH2-OD1 3.26Å; R86-D107 PolarHBondContact NH2-OD1 2.85Å; R86-D107 IonicContact NH2-OD2 2.67Å; R86-D107 PolarHBondContact NH2-OD2 3.32Å; F87-D107 VanDerWaalsContact CZ-OD1 3.25Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.47Å; L103-D107 HydrophobicContact CD1-CB 3.49Å; L103-D107 VanDerWaalsContact CD1-CB 3.49Å; L103-D107 HydrophobicContact CG-CB 4.39Å; Q104-D107 PolarHBondContact N-OD2 2.78Å; Q104-D107 WeakPolarHBondContact O-CB 3.44Å; Q104-D107 PolarHBondContact O-N 2.93Å; Q104-D107 VanDerWaalsContact O-N 3.08Å; F105-D107 PolarHBondContact O-N 2.79Å; D107-A109 PolarHBondContact O-N 3.19Å; D107-A109 VanDerWaalsContact O-N 3.1Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 3.16Å
108	E	97.6	Very high	96.8	Very high	159 Å²	159	59.9 Å²	59.9	74%	0.743	30%	0.299	S	S	*	.			trans	-70	106.5	171.9	-169.9	172.9	179.6	0	0	110.1	F105 E106	F105-E108 PolarHBondContact O-N 2.96Å; E106-E108 VanDerWaalsContact C-N 3.31Å
109	A	97.8	Very high	95.9	Very high	26 Å²	26	66.5 Å²	66.5	22%	0.215	33%	0.334	C	S	.	.	S	Bend	trans	-164.3	165.5	-172.4	0	0	0	0	0	111	Q58 Q59 Q60 D107 Y111	Q58-A109 HydrophobicContact CG-CB 3.49Å; Q58-A109 VanDerWaalsContact CG-CB 3.49Å; Q59-A109 WeakPolarHBondContact O-CB 3.46Å; Q60-A109 HydrophobicContact CG-CB 4.07Å; D107-A109 PolarHBondContact O-N 3.19Å; D107-A109 VanDerWaalsContact O-N 3.1Å; A109-Y111 HydrophobicContact CB-CD2 4.44Å; A109-Y111 HydrophobicContact CB-CE2 3.91Å; A109-Y111 VanDerWaalsContact O-CD2 3.26Å; A109-Y111 WeakPolarHBondContact O-CD2 3.43Å; A109-Y111 WeakPolarHBondContact O-CE2 3.08Å
110	D	97.9	Very high	94	Very high	95 Å²	95	72.5 Å²	72.5	51%	0.508	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	140.5	162.4	-66.7	-49.2	0	0	0	109.8	Q58 Q59 Y112	Q58-D110 CarbonylContact C-O 3.6Å; Q58-D110 WeakPolarHBondContact CA-O 3.27Å; Q59-D110 HydrophobicContact CB-CB 4.41Å; Q59-D110 PolarHBondContact N-O 2.97Å; Q59-D110 PolarHBondContact O-N 2.94Å; D110-Y112 HydrophobicContact CB-CE2 3.64Å; D110-Y112 WeakPolarHBondContact CB-OH 3.37Å
111	Y	98.3	Very high	93.8	Very high	30 Å²	30	76.1 Å²	76.1	12%	0.118	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.3	-179.8	-72.3	-96.5	0	0	0	110.2	Q27 L41 H57 Q58 L68 F87 L98 I100 D107 A109	Q27-Y111 PolarHBondContact NE2-O 3.35Å; L41-Y111 VanDerWaalsContact CD1-CB 3.48Å; L41-Y111 HydrophobicContact CD1-CD1 3.89Å; L41-Y111 HydrophobicContact CD1-CD2 3.7Å; L41-Y111 HydrophobicContact CD1-CE2 4.39Å; L41-Y111 HydrophobicContact CD1-CG 3.41Å; L41-Y111 VanDerWaalsContact CD1-CG 3.41Å; H57-Y111 VanDerWaalsContact O-CA 3.31Å; H57-Y111 WeakPolarHBondContact O-CA 3.06Å; Q58-Y111 HydrophobicContact CB-CD1 4.24Å; Q58-Y111 HydrophobicContact CB-CE1 3.98Å; Q58-Y111 HydrophobicContact CG-CD1 4.42Å; Q58-Y111 HydrophobicContact CG-CE1 3.87Å; Q58-Y111 PolarHBondContact NE2-OH 3.28Å; L68-Y111 HydrophobicContact CD1-CD1 4.03Å; L68-Y111 HydrophobicContact CD1-CE1 3.69Å; F87-Y111 HydrophobicContact CE1-CE1 4.16Å; L98-Y111 HydrophobicContact CD2-CD1 3.69Å; L98-Y111 HydrophobicContact CD2-CE1 3.88Å; I100-Y111 HydrophobicContact CD1-CE1 3.84Å; I100-Y111 HydrophobicContact CD1-CE2 4.35Å; I100-Y111 VanDerWaalsContact CD1-OH 3.25Å; I100-Y111 WeakPolarHBondContact CD1-OH 3.26Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 3.16Å; A109-Y111 HydrophobicContact CB-CD2 4.44Å; A109-Y111 HydrophobicContact CB-CE2 3.91Å; A109-Y111 VanDerWaalsContact O-CD2 3.26Å; A109-Y111 WeakPolarHBondContact O-CD2 3.43Å; A109-Y111 WeakPolarHBondContact O-CE2 3.08Å
112	Y	98	Very high	93.5	Very high	99 Å²	99	77.7 Å²	77.7	39%	0.388	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.3	-175.7	-56.7	-75.5	0	0	0	111.2	H57 Q59 D110	H57-Y112 PolarHBondContact N-O 3.04Å; H57-Y112 PolarHBondContact O-N 3.12Å; Q59-Y112 HydrophobicContact CB-CD2 4.4Å; Q59-Y112 HydrophobicContact CB-CE2 3.87Å; D110-Y112 HydrophobicContact CB-CE2 3.64Å; D110-Y112 WeakPolarHBondContact CB-OH 3.37Å
113	C	97.5	Very high	93.2	Very high	17 Å²	17	76.9 Å²	76.9	12%	0.115	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	142.5	168	62.8	0	0	0	0	112.1	L25 Q27 C43 I54 A55 W56	L25-C113 HydrophobicContact CD1-CB 4.36Å; L25-C113 WeakPolarHBondContact CD1-O 3.46Å; Q27-C113 WeakPolarHBondContact CG-SG 3.4Å; Q27-C113 PolarHBondContact OE1-SG 2.96Å; Q27-C113 VanDerWaalsContact OE1-SG 3.37Å; C43-C113 HydrophobicContact CB-CB 3.52Å; C43-C113 WeakPolarHBondContact CB-SG 3.4Å; C43-C113 WeakPolarHBondContact SG-CB 3.37Å; C43-C113 CovalentContact SG-SG 2.03Å; C43-C113 PolarHBondContact SG-SG 3.12Å; I54-C113 HydrophobicContact CD1-CB 4.31Å; I54-C113 HydrophobicContact CG2-CB 3.87Å; A55-C113 VanDerWaalsContact O-CA 3.3Å; A55-C113 WeakPolarHBondContact O-CA 3.03Å; W56-C113 HydrophobicContact CE3-CB 4.42Å; W56-C113 HydrophobicContact CZ3-CB 4.38Å
114	E	96.9	Very high	93	Very high	107 Å²	107	80.1 Å²	80.1	50%	0.5	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.4	173.9	174.8	-176.8	-160.9	0	0	108.6	I54 A55 H57	I54-E114 CarbonylContact C-O 3.58Å; I54-E114 VanDerWaalsContact CA-O 3.27Å; I54-E114 WeakPolarHBondContact CA-O 3.42Å; I54-E114 WeakPolarHBondContact CD1-O 3.27Å; A55-E114 HydrophobicContact CB-CB 4.49Å; A55-E114 PolarHBondContact N-O 2.92Å; A55-E114 PolarHBondContact O-N 3.02Å; H57-E114 IonicContact CE1-OE2 3.24Å; H57-E114 PolarHBondContact CE1-OE2 3.23Å; H57-E114 VanDerWaalsContact CE1-OE2 3.24Å
115	T	96.7	Very high	92.6	Very high	27 Å²	27	81.2 Å²	81.2	17%	0.166	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.3	-178.2	-161.7	0	0	0	0	114.4	P23 L25 L45 Y52 I53	P23-T115 HydrophobicContact CB-CG2 3.75Å; P23-T115 HydrophobicContact CG-CG2 3.72Å; L25-T115 HydrophobicContact CD1-CG2 3.94Å; L25-T115 HydrophobicContact CD2-CG2 3.83Å; L25-T115 HydrophobicContact CG-CG2 4Å; L45-T115 HydrophobicContact CD2-CG2 4.41Å; L45-T115 WeakPolarHBondContact CD2-OG1 3.23Å; Y52-T115 WeakPolarHBondContact CB-OG1 3.44Å; Y52-T115 HydrophobicContact CD1-CG2 4.46Å; I53-T115 VanDerWaalsContact O-CA 3.23Å; I53-T115 WeakPolarHBondContact O-CA 3.4Å; I53-T115 WeakPolarHBondContact O-CB 3.38Å; I53-T115 PolarHBondContact O-OG1 3.44Å
116	W	95.1	Very high	92.4	Very high	79 Å²	79	76.7 Å²	76.7	30%	0.299	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	163.8	170.5	64.1	101.1	0	0	0	111.1	Y52 I53 A55 K70	Y52-W116 WeakPolarHBondContact CB-O 3.22Å; Y52-W116 VanDerWaalsContact CD1-C 3.41Å; Y52-W116 WeakPolarHBondContact CD1-O 3.25Å; I53-W116 HydrophobicContact CB-CD2 4.19Å; I53-W116 HydrophobicContact CB-CH2 4.49Å; I53-W116 HydrophobicContact CB-CZ2 3.99Å; I53-W116 HydrophobicContact CG2-CD2 4.4Å; I53-W116 HydrophobicContact CG2-CH2 3.7Å; I53-W116 HydrophobicContact CG2-CZ2 3.38Å; I53-W116 HydrophobicContact CG2-CZ3 4.34Å; I53-W116 PolarHBondContact N-O 2.78Å; I53-W116 PolarHBondContact O-N 2.91Å; A55-W116 HydrophobicContact CB-CH2 3.75Å; A55-W116 HydrophobicContact CB-CZ3 3.54Å; K70-W116 HydrophobicContact CD-CZ2 4.2Å; K70-W116 HydrophobicContact CG-CH2 4.29Å; K70-W116 HydrophobicContact CG-CZ2 4.21Å
117	D	92.1	Very high	92.1	Very high	48 Å²	48	74.2 Å²	74.2	26%	0.257	39%	0.385	S	S	.	.			trans	-66.2	135.7	177.2	-169.6	-18.9	0	0	0	110.5	Y52 N119 T120	Y52-D117 HydrophobicContact CE1-CB 4.11Å; Y52-D117 HydrophobicContact CE2-CB 4.12Å; D117-N119 PolarHBondContact O-N 3.26Å; D117-N119 PolarHBondContact OD1-N 3.34Å; D117-N119 PolarHBondContact OD1-ND2 3.02Å; D117-T120 PolarHBondContact O-N 3.4Å; D117-T120 PolarHBondContact O-OG1 2.89Å
118	S	86.8	Confident	91.7	Very high	50 Å²	50	79.4 Å²	79.4	35%	0.35	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17	174.6	57.1	0	0	0	0	114.4	T120	S118-T120 PolarHBondContact O-N 3.37Å
119	N	79.8	Confident	91.2	Very high	139 Å²	139	72.8 Å²	72.8	74%	0.743	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	6.5	179.5	-60.5	-50.9	0	0	0	114	D117	D117-N119 PolarHBondContact O-N 3.26Å; D117-N119 PolarHBondContact OD1-N 3.34Å; D117-N119 PolarHBondContact OD1-ND2 3.02Å
120	T	57.6	Low	90.6	Very high	156 Å²	156	77 Å²	77	96%	0.957	40%	0.4	S	S	*	.			trans	-98.1	0	175.4	-14.1	0	0	0	0	110.7	D117 S118	D117-T120 PolarHBondContact O-N 3.4Å; D117-T120 PolarHBondContact O-OG1 2.89Å; S118-T120 PolarHBondContact O-N 3.37Å

Retrieved 120 of 120 residues in 77.2 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).