LV218_HUMAN Loading...

Immunoglobulin lambda variable 2-18

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 A0A075B6J9, Species HUMAN (Homo sapiens, Human), Gene IGLV2-18, Length 118 aa.

						>LV218_HUMAN|A0A075B6J9|IGLV2-18
MAWALLLLTLLTQGTGSWAQSALTQPPSVSGSPGQSVTISCTGTSSDVGSYNRVSWYQQPPGTAPKLMIYEVSNRPSGVPDRFSGSKSGNTASLTISGLQAEDEADYYCSLYTSSSTF
					

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	50.9	Low	58	Low	249 Å²	249	155.4 Å²	155.4	100%	1.227	84%	0.837	S	S	*	*				0	99.5	0	-61.1	-79.4	-129.1	0	0	106.6
2	A	54.1	Low	58.2	Low	104 Å²	104	152.6 Å²	152.6	86%	0.86	83%	0.83	S	S	*	*			cis	-138.3	142.5	8.1	0	0	0	0	0	107.7
3	W	48.5	Very low	58.3	Low	244 Å²	244	153.9 Å²	153.9	92%	0.924	83%	0.827	S	S	*	*			trans	-88.9	122.6	174.8	-115.7	-23.8	0	0	0	108.2
4	A	64.8	Low	57.5	Low	90 Å²	90	148.5 Å²	148.5	74%	0.744	83%	0.826	S	S	*	*			trans	-113.5	98	161.4	0	0	0	0	0	107.1	L6	A4-L6 PolarHBondContact O-N 2.99Å
5	L	58.4	Low	57.3	Low	141 Å²	141	146.5 Å²	146.5	74%	0.738	82%	0.819	S	S	*	*			trans	-76.1	102.8	168.6	-72.5	167.4	0	0	0	107.4	L7	L5-L7 PolarHBondContact O-N 3.39Å
6	L	56.5	Low	56.7	Low	153 Å²	153	141.4 Å²	141.4	80%	0.801	81%	0.809	S	S	*	*			trans	-71.8	104.7	166.9	-110.1	112.4	0	0	0	108.4	A4 L8	A4-L6 PolarHBondContact O-N 2.99Å; L6-L8 HydrophobicContact CD2-CD1 4.19Å; L6-L8 PolarHBondContact O-N 3.36Å
7	L	61.9	Low	56.5	Low	159 Å²	159	139.6 Å²	139.6	83%	0.832	81%	0.807	S	S	*	*			trans	-78.1	104.9	164.2	-92.2	126.6	0	0	0	108.4	L5 T9	L5-L7 PolarHBondContact O-N 3.39Å; L7-T9 PolarHBondContact O-N 3.17Å
8	L	58	Low	55.9	Low	150 Å²	150	145.8 Å²	145.8	79%	0.785	82%	0.815	S	S	*	*			trans	-78.2	109.3	164.1	-114	85.7	0	0	0	108.5	L6 L10	L6-L8 HydrophobicContact CD2-CD1 4.19Å; L6-L8 PolarHBondContact O-N 3.36Å; L8-L10 PolarHBondContact O-N 2.88Å
9	T	63	Low	55.9	Low	117 Å²	117	142.9 Å²	142.9	72%	0.718	81%	0.812	S	S	*	*			trans	-70.1	107.1	165.9	47.6	0	0	0	0	108.8	L7 L11	L7-T9 PolarHBondContact O-N 3.17Å; T9-L11 PolarHBondContact O-N 2.9Å; T9-L11 VanDerWaalsContact O-N 3.08Å
10	L	61.4	Low	55.8	Low	153 Å²	153	144.9 Å²	144.9	80%	0.801	81%	0.814	S	S	*	*			trans	-72.6	98.3	172.3	-164.6	69.8	0	0	0	108.6	L8 T12	L8-L10 PolarHBondContact O-N 2.88Å; L10-T12 VanDerWaalsContact C-N 3.32Å; L10-T12 HydrophobicContact CD2-CG2 4.27Å; L10-T12 HydrophobicContact CG-CG2 4.39Å; L10-T12 PolarHBondContact O-N 2.93Å
11	L	60.6	Low	56	Low	149 Å²	149	140.5 Å²	140.5	78%	0.78	79%	0.793	S	S	*	*			trans	-68.5	91.6	165.9	-78.6	150.3	0	0	0	107.7	T9 Q13	T9-L11 PolarHBondContact O-N 2.9Å; T9-L11 VanDerWaalsContact O-N 3.08Å; L11-Q13 PolarHBondContact O-N 3.43Å
12	T	60.9	Low	57.4	Low	122 Å²	122	132.2 Å²	132.2	75%	0.748	76%	0.764	S	S	*	*			trans	-69.2	98.5	167	52.1	0	0	0	0	107.6	L10 G14	L10-T12 VanDerWaalsContact C-N 3.32Å; L10-T12 HydrophobicContact CD2-CG2 4.27Å; L10-T12 HydrophobicContact CG-CG2 4.39Å; L10-T12 PolarHBondContact O-N 2.93Å; T12-G14 PolarHBondContact O-N 2.9Å
13	Q	58.5	Low	59.1	Low	170 Å²	170	129.5 Å²	129.5	79%	0.794	74%	0.735	S	S	*	*			trans	-64.1	107.9	171	-59.6	-167.9	12.1	0	0	107.5	L11 T15	L11-Q13 PolarHBondContact O-N 3.43Å; Q13-T15 PolarHBondContact O-N 3.26Å
14	G	47.6	Very low	61.4	Low	78 Å²	78	122.2 Å²	122.2	80%	0.804	72%	0.717	S	S	*	*			trans	-65.1	88.7	165.4	0	0	0	0	0	108.3	T12 G16	T12-G14 PolarHBondContact O-N 2.9Å; G14-G16 VanDerWaalsContact C-N 3.31Å; G14-G16 PolarHBondContact O-N 3.12Å
15	T	54.7	Low	62.9	Low	119 Å²	119	120.7 Å²	120.7	73%	0.73	70%	0.695	S	S	*	*			trans	-67.7	99.3	161	44.8	0	0	0	0	106	Q13 S17	Q13-T15 PolarHBondContact O-N 3.26Å; T15-S17 PolarHBondContact O-N 3.32Å
16	G	47.4	Very low	64.8	Low	64 Å²	64	116.1 Å²	116.1	66%	0.66	67%	0.673	S	S	*	*			trans	-51.3	109.5	171.5	0	0	0	0	0	109.1	G14 W18	G14-G16 VanDerWaalsContact C-N 3.31Å; G14-G16 PolarHBondContact O-N 3.12Å; G16-W18 PolarHBondContact O-N 3.34Å
17	S	53	Low	66.7	Low	111 Å²	111	115.4 Å²	115.4	78%	0.776	68%	0.678	S	S	*	*			trans	-65.4	120.2	166.3	-74.2	0	0	0	0	107.2	T15 A19	T15-S17 PolarHBondContact O-N 3.32Å; S17-A19 PolarHBondContact O-N 3.3Å
18	W	46.8	Very low	68.4	Low	252 Å²	252	112.5 Å²	112.5	96%	0.955	67%	0.671	S	S	*	*			trans	-63.8	82.1	160.4	-60.7	91	0	0	0	107.2	G16 Q20	G16-W18 PolarHBondContact O-N 3.34Å; W18-Q20 PolarHBondContact O-N 2.94Å
19	A	55	Low	70.3	Confident	90 Å²	90	108.5 Å²	108.5	74%	0.744	65%	0.652	S	S	*	*			trans	-66.4	105.8	173.6	0	0	0	0	0	106.7	S17 S21	S17-A19 PolarHBondContact O-N 3.3Å; A19-S21 PolarHBondContact O-N 3.13Å
20	Q	54.9	Low	72	Confident	182 Å²	182	108.3 Å²	108.3	85%	0.85	66%	0.656	S	S	*	*			trans	-52	134.9	165.9	-174.2	167.4	-69.4	0	0	107.6	W18 A22	W18-Q20 PolarHBondContact O-N 2.94Å; Q20-A22 PolarHBondContact O-N 2.88Å
21	S	60	Low	73.7	Confident	53 Å²	53	102.8 Å²	102.8	37%	0.371	64%	0.636	S	S	.	*			trans	-52	111.1	-175.3	-172.5	0	0	0	0	110.4	A19 T44 D47	A19-S21 PolarHBondContact O-N 3.13Å; S21-T44 WeakPolarHBondContact OG-CG2 3.39Å; S21-D47 WeakPolarHBondContact CB-OD2 3.47Å; S21-D47 PolarHBondContact OG-OD2 2.89Å
22	A	78.7	Confident	75.5	Confident	75 Å²	75	99 Å²	99	62%	0.62	62%	0.622	S	S	*	*			trans	-91	118.2	-175.1	0	0	0	0	0	108.3	Q20 T24	Q20-A22 PolarHBondContact O-N 2.88Å; A22-T24 PolarHBondContact O-N 2.98Å
23	L	91.5	Very high	77.2	Confident	48 Å²	48	99 Å²	99	25%	0.251	62%	0.624	S	S	.	*			trans	-61.5	130.9	167.4	-66.3	177.2	0	0	0	109	V48 L111	L23-V48 HydrophobicContact CD2-CG2 3.54Å; L23-L111 HydrophobicContact CD1-CB 4.38Å; L23-L111 HydrophobicContact CD1-CD1 4.04Å; L23-L111 HydrophobicContact CD1-CG 3.93Å; L23-L111 HydrophobicContact CD2-CD1 3.69Å; L23-L111 HydrophobicContact CD2-CG 4.39Å; L23-L111 HydrophobicContact CG-CD1 4.25Å
24	T	95	Very high	79.1	Confident	90 Å²	90	93.5 Å²	93.5	55%	0.552	61%	0.613	S	S	*	*	B	Isolated β-bridge	trans	-105.9	126.3	-178.9	-57.2	0	0	0	0	110	A22 C41 T42	A22-T24 PolarHBondContact O-N 2.98Å; T24-C41 WeakPolarHBondContact O-CA 3.39Å; T24-T42 PolarHBondContact N-O 3.11Å; T24-T42 PolarHBondContact O-N 2.74Å
25	Q	97.2	Very high	81.5	Confident	59 Å²	59	94.7 Å²	94.7	28%	0.276	60%	0.598	S	S	.	*			trans	-120.8	154.9	174.4	-76.7	178.6	-138.3	0	0	110.6	C41 Y107 C109	Q25-C41 HydrophobicContact CG-CB 4.23Å; Q25-Y107 PolarHBondContact NE2-O 2.84Å; Q25-C109 PolarHBondContact OE1-SG 3.31Å
26	P	97.7	Very high	83.6	Confident	44 Å²	44	92.4 Å²	92.4	29%	0.286	59%	0.587	S	S	.	*			trans	-62.3	146.7	166.6	29.1	-34.4	0	0	0	109.8	S28 V29 I39 S40	P26-S28 PolarHBondContact O-N 3.29Å; P26-V29 HydrophobicContact CB-CG2 4.35Å; P26-V29 HydrophobicContact CG-CG2 3.73Å; P26-I39 HydrophobicContact CG-CG2 4.34Å; P26-S40 WeakPolarHBondContact CD-O 3.28Å
27	P	97.2	Very high	86	Confident	138 Å²	138	90.2 Å²	90.2	90%	0.896	56%	0.561	S	S	*	*	S	Bend	trans	-68.4	-24.7	-178.7	28	-35.5	0	0	0	112.9
28	S	97.5	Very high	88.2	Confident	98 Å²	98	88.4 Å²	88.4	69%	0.685	55%	0.545	S	S	*	.			trans	-158.5	156.1	172.8	57.8	0	0	0	0	110.4	P26	P26-S28 PolarHBondContact O-N 3.29Å
29	V	97.9	Very high	90.6	Very high	66 Å²	66	77.1 Å²	77.1	40%	0.4	50%	0.503	S	S	.	.			trans	-136.6	138.9	168.2	-179.5	0	0	0	0	106.4	P26 V37 I39	P26-V29 HydrophobicContact CB-CG2 4.35Å; P26-V29 HydrophobicContact CG-CG2 3.73Å; V29-V37 HydrophobicContact CG1-CB 3.89Å; V29-V37 HydrophobicContact CG1-CG1 4.15Å; V29-I39 HydrophobicContact CB-CG1 4.45Å; V29-I39 HydrophobicContact CG2-CG1 4.25Å
30	S	97.7	Very high	92.7	Very high	113 Å²	113	75 Å²	75	79%	0.79	48%	0.483	S	S	*	.			trans	-134.3	157.9	-179.8	60.8	0	0	0	0	111.1
31	G	97.6	Very high	94.7	Very high	37 Å²	37	66.3 Å²	66.3	38%	0.381	44%	0.442	S	S	.	.			trans	-164.5	161.2	178.2	0	0	0	0	0	110.7
32	S	97.8	Very high	96.4	Very high	71 Å²	71	66.5 Å²	66.5	50%	0.497	44%	0.441	S	S	.	.			trans	-81.6	155.5	174.4	-57.5	0	0	0	0	111	G34 Q35	S32-G34 PolarHBondContact O-N 2.73Å; S32-Q35 VanDerWaalsContact O-CB 3.28Å; S32-Q35 WeakPolarHBondContact O-CB 3.19Å; S32-Q35 PolarHBondContact O-N 2.97Å
33	P	97.8	Very high	97.1	Very high	120 Å²	120	63.6 Å²	63.6	78%	0.779	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	134.2	174.1	-28.2	35.6	0	0	0	112.3	Q35 L99	P33-Q35 VanDerWaalsContact C-N 3.28Å; P33-Q35 PolarHBondContact O-N 3.02Å; P33-L99 WeakPolarHBondContact CA-O 3.41Å
34	G	98.1	Very high	97.1	Very high	56 Å²	56	63.8 Å²	63.8	58%	0.577	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-13.6	-176.8	0	0	0	0	0	115.6	S32 L99	S32-G34 PolarHBondContact O-N 2.73Å; G34-L99 PolarHBondContact N-O 2.81Å
35	Q	98.3	Very high	96.8	Very high	103 Å²	103	63 Å²	63	48%	0.481	42%	0.42	S	S	.	.			trans	-71.8	165.6	173.6	-67	-167.2	-59.1	0	0	111.7	S32 P33 G98 L99	S32-Q35 VanDerWaalsContact O-CB 3.28Å; S32-Q35 WeakPolarHBondContact O-CB 3.19Å; S32-Q35 PolarHBondContact O-N 2.97Å; P33-Q35 VanDerWaalsContact C-N 3.28Å; P33-Q35 PolarHBondContact O-N 3.02Å; Q35-G98 PolarHBondContact O-N 3.15Å; Q35-L99 PolarHBondContact O-N 3.14Å
36	S	98.4	Very high	96.4	Very high	71 Å²	71	63.5 Å²	63.5	50%	0.497	43%	0.43	S	S	.	.			trans	-102.9	137.5	167.4	-169.5	0	0	0	0	110.3	T95 I96	S36-T95 WeakPolarHBondContact OG-CG2 3.2Å; S36-I96 CarbonylContact C-O 3.52Å; S36-I96 WeakPolarHBondContact CA-O 3.29Å; S36-I96 PolarHBondContact OG-O 2.79Å
37	V	98.4	Very high	95.8	Very high	18 Å²	18	62.6 Å²	62.6	11%	0.109	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.3	173.2	-67.6	0	0	0	0	110.3	V29 T95 I96 L99	V29-V37 HydrophobicContact CG1-CB 3.89Å; V29-V37 HydrophobicContact CG1-CG1 4.15Å; V37-T95 WeakPolarHBondContact O-CA 2.99Å; V37-I96 HydrophobicContact CG2-CB 4.1Å; V37-I96 HydrophobicContact CG2-CD1 4.43Å; V37-I96 HydrophobicContact CG2-CG1 4.48Å; V37-I96 PolarHBondContact N-O 3.28Å; V37-I96 PolarHBondContact O-N 3.39Å; V37-L99 HydrophobicContact CB-CD1 4.22Å; V37-L99 HydrophobicContact CG1-CD1 3.47Å; V37-L99 VanDerWaalsContact CG1-CD1 3.47Å; V37-L99 HydrophobicContact CG1-CG 4.4Å; V37-L99 HydrophobicContact CG2-CD1 3.76Å; V37-L99 HydrophobicContact CG2-CD2 3.72Å; V37-L99 HydrophobicContact CG2-CG 3.89Å
38	T	98.5	Very high	95.4	Very high	72 Å²	72	56 Å²	56	44%	0.442	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.5	176.9	-58.6	0	0	0	0	109.7	L94 T95	T38-L94 CarbonylContact C-O 3.6Å; T38-L94 VanDerWaalsContact CA-O 3.31Å; T38-L94 WeakPolarHBondContact CA-O 3.22Å; T38-T95 PolarHBondContact OG1-OG1 3.04Å; T38-T95 VanDerWaalsContact OG1-OG1 3.13Å
39	I	98.5	Very high	95	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.077	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.5	174.6	-49.3	177.8	0	0	0	107.5	P26 V29 W56 S93 L94 Y107	P26-I39 HydrophobicContact CG-CG2 4.34Å; V29-I39 HydrophobicContact CB-CG1 4.45Å; V29-I39 HydrophobicContact CG2-CG1 4.25Å; I39-W56 HydrophobicContact CB-CH2 4.09Å; I39-W56 HydrophobicContact CB-CZ3 4.06Å; I39-W56 HydrophobicContact CG2-CH2 3.89Å; I39-W56 HydrophobicContact CG2-CZ3 3.73Å; I39-W56 VanDerWaalsContact O-CH2 3.25Å; I39-W56 WeakPolarHBondContact O-CH2 3.3Å; I39-S93 CarbonylContact O-C 3.05Å; I39-S93 VanDerWaalsContact O-CA 3.28Å; I39-S93 WeakPolarHBondContact O-CA 3.45Å; I39-L94 HydrophobicContact CD1-CD2 4.45Å; I39-L94 PolarHBondContact N-O 2.95Å; I39-L94 PolarHBondContact O-N 3.04Å; I39-Y107 HydrophobicContact CD1-CD1 4.26Å; I39-Y107 HydrophobicContact CD1-CD2 3.78Å; I39-Y107 HydrophobicContact CD1-CE2 4.46Å; I39-Y107 HydrophobicContact CD1-CG 3.65Å
40	S	98.1	Very high	94.6	Very high	46 Å²	46	52.9 Å²	52.9	32%	0.322	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143.3	178.3	61	0	0	0	0	111.8	P26	P26-S40 WeakPolarHBondContact CD-O 3.28Å
41	C	96.7	Very high	94.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	111.8	171.4	172.1	0	0	0	0	109.1	T24 Q25 W56 T91 A92 C109	T24-C41 WeakPolarHBondContact O-CA 3.39Å; Q25-C41 HydrophobicContact CG-CB 4.23Å; C41-W56 HydrophobicContact CB-CH2 3.62Å; C41-W56 HydrophobicContact CB-CZ2 3.71Å; C41-T91 CarbonylContact O-C 3.59Å; C41-T91 WeakPolarHBondContact O-CA 3.2Å; C41-A92 PolarHBondContact N-O 2.91Å; C41-A92 PolarHBondContact O-N 3.04Å; C41-C109 HydrophobicContact CB-CB 3.4Å; C41-C109 WeakPolarHBondContact CB-SG 3.34Å; C41-C109 WeakPolarHBondContact SG-CB 3.28Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 3.34Å
42	T	96	Very high	93.8	Very high	56 Å²	56	56.3 Å²	56.3	34%	0.344	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.2	-177.5	-58.2	0	0	0	0	110.2	T24 T91	T24-T42 PolarHBondContact N-O 3.11Å; T24-T42 PolarHBondContact O-N 2.74Å; T42-T91 PolarHBondContact OG1-OG1 3.08Å; T42-T91 VanDerWaalsContact OG1-OG1 3.08Å
43	G	93	Very high	93.6	Very high	14 Å²	14	56.5 Å²	56.5	14%	0.144	35%	0.347	C	S	.	.			trans	-130.8	-155.4	172.1	0	0	0	0	0	111.1	N90	G43-N90 PolarHBondContact N-O 2.99Å; G43-N90 WeakPolarHBondContact O-CB 3.31Å
44	T	91.4	Very high	93.4	Very high	53 Å²	53	50.8 Å²	50.8	33%	0.325	31%	0.31	S	S	.	.			trans	-94.5	177.5	175.4	75.6	0	0	0	0	111.5	S21 S46 D47 V48 G49	S21-T44 WeakPolarHBondContact OG-CG2 3.39Å; T44-S46 VanDerWaalsContact C-N 3.31Å; T44-S46 PolarHBondContact OG1-N 3.19Å; T44-S46 PolarHBondContact OG1-OG 3.17Å; T44-D47 WeakPolarHBondContact CB-OD2 3.45Å; T44-D47 WeakPolarHBondContact CG2-OD2 3.31Å; T44-D47 PolarHBondContact N-OD2 3.31Å; T44-D47 PolarHBondContact O-N 2.66Å; T44-D47 PolarHBondContact OG1-N 2.77Å; T44-D47 PolarHBondContact OG1-OD1 3.4Å; T44-D47 PolarHBondContact OG1-OD2 3.28Å; T44-V48 PolarHBondContact O-N 3.23Å; T44-V48 VanDerWaalsContact O-N 3.08Å; T44-G49 PolarHBondContact O-N 2.89Å; T44-G49 VanDerWaalsContact O-N 3.15Å
45	S	89.8	Confident	93.4	Very high	72 Å²	72	49.1 Å²	49.1	50%	0.503	29%	0.29	S	S	.	.	I	π-helix	trans	-64.9	-33	172.3	52.7	0	0	0	0	112.5	D47 G49 S50 N90	S45-D47 VanDerWaalsContact C-N 3.35Å; S45-G49 CarbonylContact O-C 3.54Å; S45-G49 WeakPolarHBondContact O-CA 3.24Å; S45-G49 PolarHBondContact O-N 3.23Å; S45-S50 VanDerWaalsContact O-CB 3.28Å; S45-S50 WeakPolarHBondContact O-CB 3.49Å; S45-S50 PolarHBondContact O-N 2.8Å; S45-S50 PolarHBondContact O-OG 3.47Å; S45-N90 WeakPolarHBondContact CA-OD1 3.48Å; S45-N90 PolarHBondContact N-ND2 2.89Å
46	S	87.2	Confident	93.4	Very high	70 Å²	70	44.2 Å²	44.2	49%	0.49	27%	0.267	S	S	.	.	I	π-helix	trans	-73.2	-28.6	178.4	52	0	0	0	0	113	T44	T44-S46 VanDerWaalsContact C-N 3.31Å; T44-S46 PolarHBondContact OG1-N 3.19Å; T44-S46 PolarHBondContact OG1-OG 3.17Å
47	D	85.4	Confident	93.3	Very high	25 Å²	25	44.6 Å²	44.6	13%	0.134	26%	0.258	C	S	.	.	I	π-helix	trans	-98.3	-61.7	-170.7	-30.4	-45.2	0	0	0	111.1	S21 T44 S45 L111	S21-D47 WeakPolarHBondContact CB-OD2 3.47Å; S21-D47 PolarHBondContact OG-OD2 2.89Å; T44-D47 WeakPolarHBondContact CB-OD2 3.45Å; T44-D47 WeakPolarHBondContact CG2-OD2 3.31Å; T44-D47 PolarHBondContact N-OD2 3.31Å; T44-D47 PolarHBondContact O-N 2.66Å; T44-D47 PolarHBondContact OG1-N 2.77Å; T44-D47 PolarHBondContact OG1-OD1 3.4Å; T44-D47 PolarHBondContact OG1-OD2 3.28Å; S45-D47 VanDerWaalsContact C-N 3.35Å; D47-L111 VanDerWaalsContact C-CD1 3.48Å; D47-L111 HydrophobicContact CB-CD1 3.35Å; D47-L111 WeakPolarHBondContact O-CD2 3.24Å
48	V	89.9	Confident	93.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.256	C	S	.	.	I	π-helix	trans	-89.5	-42.4	-178.7	176.9	0	0	0	0	110.9	L23 T44 V54 K87 N90 A92 L111	L23-V48 HydrophobicContact CD2-CG2 3.54Å; T44-V48 PolarHBondContact O-N 3.23Å; T44-V48 VanDerWaalsContact O-N 3.08Å; V48-V54 HydrophobicContact CB-CG2 4.44Å; V48-V54 HydrophobicContact CG1-CG2 4Å; V48-V54 HydrophobicContact CG2-CG2 4.11Å; V48-K87 HydrophobicContact CG1-CD 3.82Å; V48-K87 HydrophobicContact CG1-CG 4.2Å; V48-K87 WeakPolarHBondContact O-CD 3.34Å; V48-K87 PolarHBondContact O-NZ 2.86Å; V48-N90 WeakPolarHBondContact CB-O 3.43Å; V48-N90 VanDerWaalsContact CG1-C 3.43Å; V48-N90 VanDerWaalsContact CG1-O 3.31Å; V48-N90 WeakPolarHBondContact CG1-O 3.4Å; V48-A92 HydrophobicContact CG1-CB 4.32Å; V48-L111 HydrophobicContact CG2-CD1 3.85Å
49	G	88.3	Confident	93.3	Very high	23 Å²	23	43.8 Å²	43.8	24%	0.237	25%	0.248	C	C	.	.	I	π-helix	trans	-63.7	-53.7	-171.5	0	0	0	0	0	113.2	T44 S45 Y51 K87 G89	T44-G49 PolarHBondContact O-N 2.89Å; T44-G49 VanDerWaalsContact O-N 3.15Å; S45-G49 CarbonylContact O-C 3.54Å; S45-G49 WeakPolarHBondContact O-CA 3.24Å; S45-G49 PolarHBondContact O-N 3.23Å; G49-Y51 VanDerWaalsContact C-N 3.34Å; G49-Y51 PolarHBondContact O-N 3.08Å; G49-K87 PolarHBondContact O-NZ 3.43Å; G49-G89 WeakPolarHBondContact CA-O 3.42Å
50	S	89	Confident	93.2	Very high	76 Å²	76	45.1 Å²	45.1	53%	0.531	26%	0.257	S	S	.	.	S	Bend	trans	-73.6	-21.9	-166.3	-65.1	0	0	0	0	114.2	S45	S45-S50 VanDerWaalsContact O-CB 3.28Å; S45-S50 WeakPolarHBondContact O-CB 3.49Å; S45-S50 PolarHBondContact O-N 2.8Å; S45-S50 PolarHBondContact O-OG 3.47Å
51	Y	88	Confident	93.1	Very high	119 Å²	119	48.4 Å²	48.4	47%	0.467	28%	0.277	S	S	.	.			trans	-135	155.9	-173.2	-52.6	-73.4	0	0	0	112.3	G49 R53 K87	G49-Y51 VanDerWaalsContact C-N 3.34Å; G49-Y51 PolarHBondContact O-N 3.08Å; Y51-R53 VanDerWaalsContact C-N 3.33Å; Y51-R53 PolarHBondContact O-N 2.84Å; Y51-K87 PolarHBondContact O-NZ 2.48Å
52	N	92.2	Very high	93.1	Very high	102 Å²	102	52.7 Å²	52.7	55%	0.545	32%	0.322	S	S	.	.	S	Bend	trans	-95.9	63.1	173.5	-66.4	-17.7	0	0	0	109.6	E71 V72 K87	N52-E71 VanDerWaalsContact O-CA 3.23Å; N52-E71 WeakPolarHBondContact O-CA 3.28Å; N52-V72 HydrophobicContact CB-CG2 3.97Å; N52-K87 VanDerWaalsContact OD1-CE 3.26Å; N52-K87 WeakPolarHBondContact OD1-CE 3.17Å; N52-K87 PolarHBondContact OD1-NZ 2.89Å
53	R	91.8	Very high	93.1	Very high	76 Å²	76	53.2 Å²	53.2	29%	0.287	33%	0.325	S	S	.	.			trans	-119.2	6.9	-172.3	-66.5	-178.9	-176	-169.2	3.8	114.2	Y51 S55 L111 Y112 S114	Y51-R53 VanDerWaalsContact C-N 3.33Å; Y51-R53 PolarHBondContact O-N 2.84Å; R53-S55 PolarHBondContact O-N 3.08Å; R53-L111 HydrophobicContact CB-CD2 4.1Å; R53-Y112 VanDerWaalsContact CD-O 3.24Å; R53-Y112 WeakPolarHBondContact CD-O 3.16Å; R53-Y112 PolarHBondContact NH1-O 3.14Å; R53-Y112 VanDerWaalsContact NH1-O 3.14Å; R53-S114 PolarHBondContact NH1-OG 2.89Å; R53-S114 PolarHBondContact NH2-OG 2.84Å
54	V	94.9	Very high	93.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.1	176.8	-178	0	0	0	0	108.8	V48 E71 V72 A92 C109 S110 L111	V48-V54 HydrophobicContact CB-CG2 4.44Å; V48-V54 HydrophobicContact CG1-CG2 4Å; V48-V54 HydrophobicContact CG2-CG2 4.11Å; V54-E71 PolarHBondContact O-N 2.89Å; V54-V72 HydrophobicContact CB-CG2 4.28Å; V54-V72 PolarHBondContact O-N 2.8Å; V54-A92 HydrophobicContact CB-CB 3.94Å; V54-A92 HydrophobicContact CG1-CB 3.67Å; V54-A92 HydrophobicContact CG2-CB 3.84Å; V54-C109 HydrophobicContact CG1-CB 4.2Å; V54-S110 WeakPolarHBondContact CA-O 3.32Å; V54-L111 HydrophobicContact CB-CD2 4.24Å; V54-L111 HydrophobicContact CG2-CD2 3.42Å; V54-L111 VanDerWaalsContact CG2-CD2 3.42Å; V54-L111 HydrophobicContact CG2-CG 4.14Å
55	S	97	Very high	93.5	Very high	21 Å²	21	57.2 Å²	57.2	15%	0.147	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151	171	-62.6	0	0	0	0	109.6	R53 I69 C109 S110	R53-S55 PolarHBondContact O-N 3.08Å; S55-I69 CarbonylContact C-O 3.6Å; S55-I69 WeakPolarHBondContact CA-O 3.28Å; S55-I69 WeakPolarHBondContact CB-O 3.36Å; S55-C109 CarbonylContact O-C 3.54Å; S55-C109 VanDerWaalsContact O-CA 3.29Å; S55-C109 WeakPolarHBondContact O-CA 3.09Å; S55-S110 PolarHBondContact N-O 2.79Å; S55-S110 PolarHBondContact O-N 3.34Å
56	W	98.2	Very high	93.9	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.6	176.9	-69.7	93	0	0	0	110.4	I39 C41 M68 I69 L94 Y108 C109	I39-W56 HydrophobicContact CB-CH2 4.09Å; I39-W56 HydrophobicContact CB-CZ3 4.06Å; I39-W56 HydrophobicContact CG2-CH2 3.89Å; I39-W56 HydrophobicContact CG2-CZ3 3.73Å; I39-W56 VanDerWaalsContact O-CH2 3.25Å; I39-W56 WeakPolarHBondContact O-CH2 3.3Å; C41-W56 HydrophobicContact CB-CH2 3.62Å; C41-W56 HydrophobicContact CB-CZ2 3.71Å; W56-M68 PolarHBondContact O-N 3.22Å; W56-I69 HydrophobicContact CB-CB 4.14Å; W56-I69 HydrophobicContact CG-CB 4.46Å; W56-I69 PolarHBondContact N-O 2.87Å; W56-I69 PolarHBondContact O-N 3.16Å; W56-L94 HydrophobicContact CB-CD1 4.35Å; W56-L94 HydrophobicContact CB-CD2 4.2Å; W56-L94 HydrophobicContact CD2-CB 3.45Å; W56-L94 VanDerWaalsContact CD2-CB 3.45Å; W56-L94 HydrophobicContact CD2-CD2 4.11Å; W56-L94 HydrophobicContact CD2-CG 4.28Å; W56-L94 VanDerWaalsContact CE2-CB 3.5Å; W56-L94 HydrophobicContact CE3-CB 3.74Å; W56-L94 HydrophobicContact CE3-CD2 3.92Å; W56-L94 HydrophobicContact CE3-CG 4.46Å; W56-L94 HydrophobicContact CG-CB 3.88Å; W56-L94 HydrophobicContact CG-CD1 4.25Å; W56-L94 HydrophobicContact CG-CD2 4.25Å; W56-L94 HydrophobicContact CG-CG 4.36Å; W56-L94 HydrophobicContact CH2-CB 4.08Å; W56-L94 HydrophobicContact CZ2-CB 3.83Å; W56-L94 VanDerWaalsContact CZ2-N 3.31Å; W56-L94 HydrophobicContact CZ3-CB 4.04Å; W56-Y108 CarbonylContact C-O 3.55Å; W56-Y108 WeakPolarHBondContact CA-O 3.47Å; W56-C109 HydrophobicContact CD2-CB 4.22Å; W56-C109 HydrophobicContact CE3-CB 4.06Å; W56-C109 HydrophobicContact CH2-CB 4.11Å; W56-C109 HydrophobicContact CZ2-CB 4.25Å; W56-C109 HydrophobicContact CZ3-CB 4.02Å
57	Y	98	Very high	94.4	Very high	79 Å²	79	58 Å²	58	31%	0.31	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142	177	-64.3	-97.8	0	0	0	110	P65 K66 L67 Y107 Y108	Y57-P65 HydrophobicContact CD1-CB 4.29Å; Y57-K66 CarbonylContact C-O 3.49Å; Y57-K66 WeakPolarHBondContact CA-O 3.34Å; Y57-L67 HydrophobicContact CD1-CB 4.28Å; Y57-L67 HydrophobicContact CD1-CD1 4.35Å; Y57-L67 HydrophobicContact CE1-CB 4.01Å; Y57-L67 HydrophobicContact CE1-CD1 3.86Å; Y57-L67 HydrophobicContact CE2-CD1 4.11Å; Y57-Y107 WeakPolarHBondContact O-CA 3.23Å; Y57-Y108 PolarHBondContact N-O 3.02Å; Y57-Y108 PolarHBondContact O-N 3.29Å
58	Q	98.3	Very high	95	Very high	17 Å²	17	56.9 Å²	56.9	8%	0.079	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.6	171.2	-176.2	-171.6	21.1	0	0	108.4	P65 K66 M68 E102 A105 D106 Y107	Q58-P65 WeakPolarHBondContact O-CA 3.47Å; Q58-K66 PolarHBondContact N-O 2.82Å; Q58-K66 PolarHBondContact O-N 2.93Å; Q58-M68 HydrophobicContact CB-CE 4.5Å; Q58-M68 HydrophobicContact CB-CG 3.54Å; Q58-M68 HydrophobicContact CB-SD 3.87Å; Q58-E102 PolarHBondContact NE2-O 2.78Å; Q58-A105 HydrophobicContact CG-CB 3.46Å; Q58-A105 VanDerWaalsContact CG-CB 3.46Å; Q58-D106 CarbonylContact C-O 3.57Å; Q58-Y107 HydrophobicContact CB-CD1 4.08Å; Q58-Y107 HydrophobicContact CB-CE1 3.71Å; Q58-Y107 HydrophobicContact CG-CD1 4.27Å; Q58-Y107 HydrophobicContact CG-CE1 3.63Å; Q58-Y107 HydrophobicContact CG-CE2 4.37Å; Q58-Y107 PolarHBondContact NE2-OH 3Å
59	Q	97.9	Very high	95.4	Very high	56 Å²	56	56.9 Å²	56.9	26%	0.262	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	94.9	176.4	-172	178.3	4.2	0	0	110.2	T63 P65 D106 Y108	Q59-T63 WeakPolarHBondContact CG-O 3.3Å; Q59-T63 PolarHBondContact NE2-O 3Å; Q59-T63 VanDerWaalsContact NE2-O 3.1Å; Q59-P65 HydrophobicContact CB-CB 4.39Å; Q59-P65 HydrophobicContact CB-CG 4.25Å; Q59-P65 HydrophobicContact CG-CG 4.11Å; Q59-D106 HydrophobicContact CB-CB 4.45Å; Q59-D106 PolarHBondContact N-O 3.08Å; Q59-D106 PolarHBondContact O-N 3.33Å; Q59-Y108 HydrophobicContact CB-CD2 4.42Å; Q59-Y108 HydrophobicContact CB-CE2 3.88Å; Q59-Y108 VanDerWaalsContact OE1-CE2 3.31Å
60	P	96.5	Very high	95.8	Very high	42 Å²	42	59.8 Å²	59.8	27%	0.273	34%	0.343	S	S	.	.			trans	-61	152.6	168.4	-23.2	33.1	0	0	0	112	G62 T63 A105	P60-G62 PolarHBondContact O-N 2.8Å; P60-T63 HydrophobicContact CB-CG2 4.29Å; P60-T63 WeakPolarHBondContact CB-OG1 3.13Å; P60-T63 VanDerWaalsContact CD-OG1 3.24Å; P60-T63 WeakPolarHBondContact CD-OG1 3.49Å; P60-T63 PolarHBondContact O-N 2.87Å; P60-T63 VanDerWaalsContact O-N 3.11Å; P60-T63 PolarHBondContact O-OG1 3.39Å; P60-A105 HydrophobicContact CG-CB 4.34Å
61	P	96.2	Very high	96.2	Very high	115 Å²	115	61.1 Å²	61.1	75%	0.747	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	129.3	179.6	-27.6	35	0	0	0	113	T63	P61-T63 VanDerWaalsContact C-N 3.27Å; P61-T63 PolarHBondContact O-N 3.1Å
62	G	95.9	Very high	96.6	Very high	91 Å²	91	56 Å²	56	94%	0.938	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	10.1	177.5	0	0	0	0	0	115.5	P60	P60-G62 PolarHBondContact O-N 2.8Å
63	T	96.4	Very high	96.8	Very high	67 Å²	67	54.6 Å²	54.6	41%	0.411	32%	0.32	S	S	.	.	S	Bend	trans	-118.6	167	-179.7	71	0	0	0	0	112.5	Q59 P60 P61	Q59-T63 WeakPolarHBondContact CG-O 3.3Å; Q59-T63 PolarHBondContact NE2-O 3Å; Q59-T63 VanDerWaalsContact NE2-O 3.1Å; P60-T63 HydrophobicContact CB-CG2 4.29Å; P60-T63 WeakPolarHBondContact CB-OG1 3.13Å; P60-T63 VanDerWaalsContact CD-OG1 3.24Å; P60-T63 WeakPolarHBondContact CD-OG1 3.49Å; P60-T63 PolarHBondContact O-N 2.87Å; P60-T63 VanDerWaalsContact O-N 3.11Å; P60-T63 PolarHBondContact O-OG1 3.39Å; P61-T63 VanDerWaalsContact C-N 3.27Å; P61-T63 PolarHBondContact O-N 3.1Å
64	A	96.4	Very high	97.1	Very high	80 Å²	80	53.9 Å²	53.9	66%	0.661	32%	0.322	S	S	*	.			trans	-78.2	147.5	172.8	0	0	0	0	0	111	K66	A64-K66 PolarHBondContact O-N 3.39Å
65	P	96.9	Very high	97.3	Very high	71 Å²	71	58.6 Å²	58.6	46%	0.461	34%	0.339	S	S	.	.			trans	-57.4	133.7	174.8	-24.1	32.8	0	0	0	112.9	Y57 Q58 Q59	Y57-P65 HydrophobicContact CD1-CB 4.29Å; Q58-P65 WeakPolarHBondContact O-CA 3.47Å; Q59-P65 HydrophobicContact CB-CB 4.39Å; Q59-P65 HydrophobicContact CB-CG 4.25Å; Q59-P65 HydrophobicContact CG-CG 4.11Å
66	K	97.3	Very high	97.3	Very high	102 Å²	102	59.1 Å²	59.1	44%	0.443	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	135.7	174.6	-178.7	-177.9	174.7	-174.1	0	110.3	Y57 Q58 A64 M68	Y57-K66 CarbonylContact C-O 3.49Å; Y57-K66 WeakPolarHBondContact CA-O 3.34Å; Q58-K66 PolarHBondContact N-O 2.82Å; Q58-K66 PolarHBondContact O-N 2.93Å; A64-K66 PolarHBondContact O-N 3.39Å; K66-M68 HydrophobicContact CD-SD 4.25Å; K66-M68 HydrophobicContact CG-SD 4.32Å; K66-M68 PolarHBondContact O-N 2.99Å
67	L	97.9	Very high	97.3	Very high	55 Å²	55	65 Å²	65	29%	0.288	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	126.2	174.2	-178	66.9	0	0	0	110.8	Y57 I69 Y70 P76	Y57-L67 HydrophobicContact CD1-CB 4.28Å; Y57-L67 HydrophobicContact CD1-CD1 4.35Å; Y57-L67 HydrophobicContact CE1-CB 4.01Å; Y57-L67 HydrophobicContact CE1-CD1 3.86Å; Y57-L67 HydrophobicContact CE2-CD1 4.11Å; L67-I69 WeakPolarHBondContact CD1-O 3.38Å; L67-Y70 HydrophobicContact CD2-CD1 4.42Å; L67-P76 HydrophobicContact CB-CG 4.42Å; L67-P76 HydrophobicContact CD2-CG 3.69Å; L67-P76 HydrophobicContact CG-CG 3.79Å
68	M	98.3	Very high	97.2	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.01	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-47	-179.4	-59.4	-54.8	-77.5	0	0	112.2	W56 Q58 K66 P76 V79 F83	W56-M68 PolarHBondContact O-N 3.22Å; Q58-M68 HydrophobicContact CB-CE 4.5Å; Q58-M68 HydrophobicContact CB-CG 3.54Å; Q58-M68 HydrophobicContact CB-SD 3.87Å; K66-M68 HydrophobicContact CD-SD 4.25Å; K66-M68 HydrophobicContact CG-SD 4.32Å; K66-M68 PolarHBondContact O-N 2.99Å; M68-P76 WeakPolarHBondContact O-CD 3.47Å; M68-V79 HydrophobicContact CE-CG1 3.74Å; M68-V79 HydrophobicContact SD-CG1 4.34Å; M68-V79 HydrophobicContact SD-CG2 4.29Å; M68-F83 HydrophobicContact CE-CD1 3.76Å; M68-F83 HydrophobicContact CE-CD2 3.81Å; M68-F83 HydrophobicContact CE-CE1 3.55Å; M68-F83 HydrophobicContact CE-CE2 3.58Å; M68-F83 HydrophobicContact CE-CG 3.89Å; M68-F83 HydrophobicContact CE-CZ 3.45Å; M68-F83 VanDerWaalsContact CE-CZ 3.45Å
69	I	98.5	Very high	97.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.4	176.8	-59.6	-64.5	0	0	0	107.9	S55 W56 L67 V72 N74 R75 L94	S55-I69 CarbonylContact C-O 3.6Å; S55-I69 WeakPolarHBondContact CA-O 3.28Å; S55-I69 WeakPolarHBondContact CB-O 3.36Å; W56-I69 HydrophobicContact CB-CB 4.14Å; W56-I69 HydrophobicContact CG-CB 4.46Å; W56-I69 PolarHBondContact N-O 2.87Å; W56-I69 PolarHBondContact O-N 3.16Å; L67-I69 WeakPolarHBondContact CD1-O 3.38Å; I69-V72 WeakPolarHBondContact CG2-O 3.25Å; I69-N74 CarbonylContact C-O 3.59Å; I69-N74 VanDerWaalsContact CA-O 3.27Å; I69-N74 WeakPolarHBondContact CA-O 3.43Å; I69-N74 WeakPolarHBondContact CG2-O 3.34Å; I69-R75 HydrophobicContact CD1-CB 4.04Å; I69-R75 HydrophobicContact CD1-CG 4.29Å; I69-L94 HydrophobicContact CG1-CD1 3.68Å
70	Y	96.8	Very high	97.2	Very high	85 Å²	85	64 Å²	64	33%	0.333	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-127.9	161.5	169.3	69.5	-79.6	0	0	0	110.1	L67 V72 S73 N74 P76	L67-Y70 HydrophobicContact CD2-CD1 4.42Å; Y70-V72 PolarHBondContact O-N 3.42Å; Y70-V72 VanDerWaalsContact O-N 3.15Å; Y70-S73 PolarHBondContact O-N 2.87Å; Y70-N74 HydrophobicContact CD1-CB 3.87Å; Y70-N74 WeakPolarHBondContact CD1-O 3.24Å; Y70-N74 HydrophobicContact CD2-CB 3.97Å; Y70-N74 HydrophobicContact CE1-CB 3.5Å; Y70-N74 HydrophobicContact CE2-CB 3.59Å; Y70-N74 HydrophobicContact CG-CB 4.1Å; Y70-N74 PolarHBondContact N-O 2.91Å; Y70-N74 WeakPolarHBondContact O-CA 2.97Å; Y70-N74 WeakPolarHBondContact O-CB 3.44Å; Y70-N74 PolarHBondContact O-N 2.8Å; Y70-P76 HydrophobicContact CD1-CG 3.9Å; Y70-P76 HydrophobicContact CE1-CG 4.2Å
71	E	96.1	Very high	97.2	Very high	104 Å²	104	68.3 Å²	68.3	49%	0.486	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	45.7	178.7	-70.3	176	171.8	0	0	113.2	N52 V54 S73 N74	N52-E71 VanDerWaalsContact O-CA 3.23Å; N52-E71 WeakPolarHBondContact O-CA 3.28Å; V54-E71 PolarHBondContact O-N 2.89Å; E71-S73 PolarHBondContact O-N 3.43Å; E71-N74 PolarHBondContact OE2-ND2 3.38Å
72	V	96.7	Very high	97.3	Very high	11 Å²	11	64.9 Å²	64.9	7%	0.067	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-44.4	-179.7	176.2	0	0	0	0	115.5	N52 V54 I69 Y70 G85 S86 K87	N52-V72 HydrophobicContact CB-CG2 3.97Å; V54-V72 HydrophobicContact CB-CG2 4.28Å; V54-V72 PolarHBondContact O-N 2.8Å; I69-V72 WeakPolarHBondContact CG2-O 3.25Å; Y70-V72 PolarHBondContact O-N 3.42Å; Y70-V72 VanDerWaalsContact O-N 3.15Å; V72-G85 CarbonylContact O-C 3.45Å; V72-G85 WeakPolarHBondContact O-CA 3.36Å; V72-S86 PolarHBondContact O-N 3.38Å; V72-K87 HydrophobicContact CG1-CB 3.53Å; V72-K87 HydrophobicContact CG2-CB 4.25Å; V72-K87 HydrophobicContact CG2-CD 4.35Å
73	S	97.6	Very high	97.4	Very high	73 Å²	73	60.6 Å²	60.6	51%	0.51	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	-6	-169.9	58.1	0	0	0	0	114.9	Y70 E71	Y70-S73 PolarHBondContact O-N 2.87Å; E71-S73 PolarHBondContact O-N 3.43Å
74	N	97.8	Very high	97.5	Very high	61 Å²	61	59.8 Å²	59.8	33%	0.326	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-83.8	137.2	-178.1	-64.6	-31.9	0	0	0	110.5	I69 Y70 E71	I69-N74 CarbonylContact C-O 3.59Å; I69-N74 VanDerWaalsContact CA-O 3.27Å; I69-N74 WeakPolarHBondContact CA-O 3.43Å; I69-N74 WeakPolarHBondContact CG2-O 3.34Å; Y70-N74 HydrophobicContact CD1-CB 3.87Å; Y70-N74 WeakPolarHBondContact CD1-O 3.24Å; Y70-N74 HydrophobicContact CD2-CB 3.97Å; Y70-N74 HydrophobicContact CE1-CB 3.5Å; Y70-N74 HydrophobicContact CE2-CB 3.59Å; Y70-N74 HydrophobicContact CG-CB 4.1Å; Y70-N74 PolarHBondContact N-O 2.91Å; Y70-N74 WeakPolarHBondContact O-CA 2.97Å; Y70-N74 WeakPolarHBondContact O-CB 3.44Å; Y70-N74 PolarHBondContact O-N 2.8Å; E71-N74 PolarHBondContact OE2-ND2 3.38Å
75	R	97.7	Very high	97.6	Very high	98 Å²	98	56.6 Å²	56.6	37%	0.37	33%	0.326	S	S	.	.			trans	-113.6	124.1	-177.2	-177.1	166.3	52	-108.8	-7.9	109.5	I69 V79 P80 F83	I69-R75 HydrophobicContact CD1-CB 4.04Å; I69-R75 HydrophobicContact CD1-CG 4.29Å; R75-V79 WeakPolarHBondContact CD-O 3.41Å; R75-V79 HydrophobicContact CG-CB 3.51Å; R75-V79 HydrophobicContact CG-CG1 3.71Å; R75-V79 HydrophobicContact CG-CG2 4.43Å; R75-P80 VanDerWaalsContact CD-O 3.28Å; R75-P80 WeakPolarHBondContact CD-O 3.2Å; R75-F83 PolarHBondContact NH1-O 3.43Å
76	P	97.7	Very high	97.7	Very high	33 Å²	33	56 Å²	56	21%	0.214	32%	0.323	C	S	.	.			trans	-60.7	161.8	173.9	-19.6	32	0	0	0	112	L67 M68 Y70 V79	L67-P76 HydrophobicContact CB-CG 4.42Å; L67-P76 HydrophobicContact CD2-CG 3.69Å; L67-P76 HydrophobicContact CG-CG 3.79Å; M68-P76 WeakPolarHBondContact O-CD 3.47Å; Y70-P76 HydrophobicContact CD1-CG 3.9Å; Y70-P76 HydrophobicContact CE1-CG 4.2Å; P76-V79 HydrophobicContact CB-CG2 4.41Å; P76-V79 PolarHBondContact O-N 3.25Å
77	S	97.6	Very high	97.6	Very high	124 Å²	124	53.8 Å²	53.8	87%	0.867	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	144.8	172.6	64.6	0	0	0	0	111.2	V79	S77-V79 VanDerWaalsContact C-N 3.27Å; S77-V79 PolarHBondContact O-N 2.96Å
78	G	97	Very high	97.6	Very high	69 Å²	69	55.9 Å²	55.9	71%	0.711	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	4.9	-179.9	0	0	0	0	0	115.4
79	V	97.6	Very high	97.4	Very high	13 Å²	13	58.3 Å²	58.3	8%	0.079	36%	0.358	C	S	.	.	S	Bend	trans	-94.2	127.2	166.1	-179.2	0	0	0	0	108.6	M68 R75 P76 S77 F83	M68-V79 HydrophobicContact CE-CG1 3.74Å; M68-V79 HydrophobicContact SD-CG1 4.34Å; M68-V79 HydrophobicContact SD-CG2 4.29Å; R75-V79 WeakPolarHBondContact CD-O 3.41Å; R75-V79 HydrophobicContact CG-CB 3.51Å; R75-V79 HydrophobicContact CG-CG1 3.71Å; R75-V79 HydrophobicContact CG-CG2 4.43Å; P76-V79 HydrophobicContact CB-CG2 4.41Å; P76-V79 PolarHBondContact O-N 3.25Å; S77-V79 VanDerWaalsContact C-N 3.27Å; S77-V79 PolarHBondContact O-N 2.96Å; V79-F83 HydrophobicContact CG1-CB 4.08Å; V79-F83 HydrophobicContact CG1-CD2 3.94Å; V79-F83 HydrophobicContact CG1-CG 4.18Å
80	P	97.7	Very high	97.3	Very high	47 Å²	47	61.3 Å²	61.3	31%	0.305	37%	0.374	S	S	.	.			trans	-59.6	148.8	179.4	-26.2	36.4	0	0	0	113.2	R75 R82 F83	R75-P80 VanDerWaalsContact CD-O 3.28Å; R75-P80 WeakPolarHBondContact CD-O 3.2Å; P80-R82 HydrophobicContact CB-CG 4.17Å; P80-R82 VanDerWaalsContact CG-NH1 3.32Å; P80-R82 PolarHBondContact O-N 2.89Å; P80-F83 HydrophobicContact CB-CD2 4.22Å; P80-F83 HydrophobicContact CB-CE2 4.43Å; P80-F83 HydrophobicContact CG-CD2 4.46Å; P80-F83 HydrophobicContact CG-CE2 4.31Å; P80-F83 PolarHBondContact O-N 3.48Å
81	D	97.4	Very high	97.3	Very high	134 Å²	134	59.4 Å²	59.4	72%	0.717	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-20	179.4	62	-12.1	0	0	0	114.2	F83	D81-F83 PolarHBondContact O-N 3.45Å; D81-F83 VanDerWaalsContact O-N 3.17Å
82	R	98.3	Very high	97.3	Very high	43 Å²	43	54.4 Å²	54.4	16%	0.162	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.6	174	89.4	177.5	167.5	-100.6	3.5	114.1	P80 I96 S97 D103	P80-R82 HydrophobicContact CB-CG 4.17Å; P80-R82 VanDerWaalsContact CG-NH1 3.32Å; P80-R82 PolarHBondContact O-N 2.89Å; R82-I96 HydrophobicContact CG-CG2 4.38Å; R82-S97 WeakPolarHBondContact CA-OG 3.47Å; R82-S97 VanDerWaalsContact CB-O 3.28Å; R82-S97 WeakPolarHBondContact CB-O 3.38Å; R82-S97 WeakPolarHBondContact CD-O 3.43Å; R82-S97 PolarHBondContact O-N 3.35Å; R82-S97 PolarHBondContact O-OG 3.49Å; R82-D103 IonicContact CZ-OD1 3.43Å; R82-D103 IonicContact NE-OD1 3.29Å; R82-D103 PolarHBondContact NE-OD1 3.32Å; R82-D103 IonicContact NE-OD2 3.31Å; R82-D103 PolarHBondContact NE-OD2 2.77Å; R82-D103 IonicContact NH2-OD1 2.73Å; R82-D103 PolarHBondContact NH2-OD1 3.34Å; R82-D103 IonicContact NH2-OD2 3.93Å
83	F	98.6	Very high	97.4	Very high	1 Å²	1	55 Å²	55	0%	0.004	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.9	175	-66	-89.4	0	0	0	110.5	M68 R75 V79 P80 D81 L94 T95 I96 D103 Y107	M68-F83 HydrophobicContact CE-CD1 3.76Å; M68-F83 HydrophobicContact CE-CD2 3.81Å; M68-F83 HydrophobicContact CE-CE1 3.55Å; M68-F83 HydrophobicContact CE-CE2 3.58Å; M68-F83 HydrophobicContact CE-CG 3.89Å; M68-F83 HydrophobicContact CE-CZ 3.45Å; M68-F83 VanDerWaalsContact CE-CZ 3.45Å; R75-F83 PolarHBondContact NH1-O 3.43Å; V79-F83 HydrophobicContact CG1-CB 4.08Å; V79-F83 HydrophobicContact CG1-CD2 3.94Å; V79-F83 HydrophobicContact CG1-CG 4.18Å; P80-F83 HydrophobicContact CB-CD2 4.22Å; P80-F83 HydrophobicContact CB-CE2 4.43Å; P80-F83 HydrophobicContact CG-CD2 4.46Å; P80-F83 HydrophobicContact CG-CE2 4.31Å; P80-F83 PolarHBondContact O-N 3.48Å; D81-F83 PolarHBondContact O-N 3.45Å; D81-F83 VanDerWaalsContact O-N 3.17Å; F83-L94 HydrophobicContact CD1-CD1 4.49Å; F83-T95 CarbonylContact C-O 3.54Å; F83-T95 WeakPolarHBondContact CA-O 3.29Å; F83-I96 HydrophobicContact CD1-CB 4.44Å; F83-I96 HydrophobicContact CD1-CD1 4.21Å; F83-I96 HydrophobicContact CD1-CG1 3.76Å; F83-I96 HydrophobicContact CD1-CG2 4.13Å; F83-I96 HydrophobicContact CE1-CB 4.42Å; F83-I96 HydrophobicContact CE1-CD1 3.74Å; F83-I96 HydrophobicContact CE1-CG1 3.77Å; F83-I96 HydrophobicContact CE1-CG2 3.84Å; F83-I96 HydrophobicContact CZ-CG2 4.22Å; F83-D103 VanDerWaalsContact CZ-OD1 3.24Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.46Å; F83-Y107 HydrophobicContact CE1-CE1 4.3Å
84	S	98.5	Very high	97.5	Very high	50 Å²	50	51.5 Å²	51.5	35%	0.35	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.1	177	59.1	0	0	0	0	111.4	L94 T95	S84-L94 CarbonylContact O-C 3.51Å; S84-L94 WeakPolarHBondContact O-CA 3.32Å; S84-T95 PolarHBondContact N-O 3.15Å; S84-T95 PolarHBondContact O-N 2.87Å; S84-T95 PolarHBondContact OG-O 2.81Å
85	G	98.3	Very high	97.5	Very high	13 Å²	13	50 Å²	50	13%	0.134	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.4	175.8	0	0	0	0	0	112.1	V72 S93	V72-G85 CarbonylContact O-C 3.45Å; V72-G85 WeakPolarHBondContact O-CA 3.36Å; G85-S93 CarbonylContact C-O 3.54Å; G85-S93 VanDerWaalsContact CA-O 3.3Å; G85-S93 WeakPolarHBondContact CA-O 3.35Å
86	S	98	Very high	97.6	Very high	58 Å²	58	45.5 Å²	45.5	41%	0.406	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	168.4	175.6	62.6	0	0	0	0	111.1	V72 A92 S93	V72-S86 PolarHBondContact O-N 3.38Å; S86-A92 CarbonylContact O-C 3.56Å; S86-A92 WeakPolarHBondContact O-CA 3.48Å; S86-S93 PolarHBondContact N-O 2.86Å; S86-S93 PolarHBondContact O-N 2.02Å
87	K	96.6	Very high	97.6	Very high	56 Å²	56	46.3 Å²	46.3	24%	0.243	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	138.3	174.1	-178	-177.9	63.8	166	0	110.3	V48 G49 Y51 N52 V72 T91	V48-K87 HydrophobicContact CG1-CD 3.82Å; V48-K87 HydrophobicContact CG1-CG 4.2Å; V48-K87 WeakPolarHBondContact O-CD 3.34Å; V48-K87 PolarHBondContact O-NZ 2.86Å; G49-K87 PolarHBondContact O-NZ 3.43Å; Y51-K87 PolarHBondContact O-NZ 2.48Å; N52-K87 VanDerWaalsContact OD1-CE 3.26Å; N52-K87 WeakPolarHBondContact OD1-CE 3.17Å; N52-K87 PolarHBondContact OD1-NZ 2.89Å; V72-K87 HydrophobicContact CG1-CB 3.53Å; V72-K87 HydrophobicContact CG2-CB 4.25Å; V72-K87 HydrophobicContact CG2-CD 4.35Å; K87-T91 WeakPolarHBondContact CA-O 3.27Å
88	S	96.6	Very high	97.6	Very high	98 Å²	98	42 Å²	42	69%	0.685	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.5	168.2	-175.9	0	0	0	0	109.4	N90 T91	S88-N90 PolarHBondContact O-N 2.96Å; S88-N90 VanDerWaalsContact O-N 3.16Å; S88-T91 PolarHBondContact N-O 3.01Å; S88-T91 PolarHBondContact O-N 3.05Å
89	G	95.3	Very high	97.7	Very high	53 Å²	53	39.9 Å²	39.9	55%	0.546	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-120.6	-173.9	0	0	0	0	0	111.8	G49	G49-G89 WeakPolarHBondContact CA-O 3.42Å
90	N	94.8	Very high	97.7	Very high	64 Å²	64	43.7 Å²	43.7	34%	0.342	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	13.2	-178	-55.2	-10.7	0	0	0	113.1	G43 S45 V48 S88	G43-N90 PolarHBondContact N-O 2.99Å; G43-N90 WeakPolarHBondContact O-CB 3.31Å; S45-N90 WeakPolarHBondContact CA-OD1 3.48Å; S45-N90 PolarHBondContact N-ND2 2.89Å; V48-N90 WeakPolarHBondContact CB-O 3.43Å; V48-N90 VanDerWaalsContact CG1-C 3.43Å; V48-N90 VanDerWaalsContact CG1-O 3.31Å; V48-N90 WeakPolarHBondContact CG1-O 3.4Å; S88-N90 PolarHBondContact O-N 2.96Å; S88-N90 VanDerWaalsContact O-N 3.16Å
91	T	96.9	Very high	97.6	Very high	44 Å²	44	45.3 Å²	45.3	27%	0.27	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.7	-178.1	-57.7	0	0	0	0	110.1	C41 T42 K87 S88	C41-T91 CarbonylContact O-C 3.59Å; C41-T91 WeakPolarHBondContact O-CA 3.2Å; T42-T91 PolarHBondContact OG1-OG1 3.08Å; T42-T91 VanDerWaalsContact OG1-OG1 3.08Å; K87-T91 WeakPolarHBondContact CA-O 3.27Å; S88-T91 PolarHBondContact N-O 3.01Å; S88-T91 PolarHBondContact O-N 3.05Å
92	A	97.4	Very high	97.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	153.7	166.5	0	0	0	0	0	110.1	C41 V48 V54 S86	C41-A92 PolarHBondContact N-O 2.91Å; C41-A92 PolarHBondContact O-N 3.04Å; V48-A92 HydrophobicContact CG1-CB 4.32Å; V54-A92 HydrophobicContact CB-CB 3.94Å; V54-A92 HydrophobicContact CG1-CB 3.67Å; V54-A92 HydrophobicContact CG2-CB 3.84Å; S86-A92 CarbonylContact O-C 3.56Å; S86-A92 WeakPolarHBondContact O-CA 3.48Å
93	S	98.4	Very high	97.5	Very high	23 Å²	23	43.6 Å²	43.6	16%	0.161	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.1	-180	-63.7	0	0	0	0	110.7	I39 G85 S86	I39-S93 CarbonylContact O-C 3.05Å; I39-S93 VanDerWaalsContact O-CA 3.28Å; I39-S93 WeakPolarHBondContact O-CA 3.45Å; G85-S93 CarbonylContact C-O 3.54Å; G85-S93 VanDerWaalsContact CA-O 3.3Å; G85-S93 WeakPolarHBondContact CA-O 3.35Å; S86-S93 PolarHBondContact N-O 2.86Å; S86-S93 PolarHBondContact O-N 2.02Å
94	L	98.7	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.9	164.6	175.4	69.5	0	0	0	107.9	T38 I39 W56 I69 F83 S84 I96 Y107	T38-L94 CarbonylContact C-O 3.6Å; T38-L94 VanDerWaalsContact CA-O 3.31Å; T38-L94 WeakPolarHBondContact CA-O 3.22Å; I39-L94 HydrophobicContact CD1-CD2 4.45Å; I39-L94 PolarHBondContact N-O 2.95Å; I39-L94 PolarHBondContact O-N 3.04Å; W56-L94 HydrophobicContact CB-CD1 4.35Å; W56-L94 HydrophobicContact CB-CD2 4.2Å; W56-L94 HydrophobicContact CD2-CB 3.45Å; W56-L94 VanDerWaalsContact CD2-CB 3.45Å; W56-L94 HydrophobicContact CD2-CD2 4.11Å; W56-L94 HydrophobicContact CD2-CG 4.28Å; W56-L94 VanDerWaalsContact CE2-CB 3.5Å; W56-L94 HydrophobicContact CE3-CB 3.74Å; W56-L94 HydrophobicContact CE3-CD2 3.92Å; W56-L94 HydrophobicContact CE3-CG 4.46Å; W56-L94 HydrophobicContact CG-CB 3.88Å; W56-L94 HydrophobicContact CG-CD1 4.25Å; W56-L94 HydrophobicContact CG-CD2 4.25Å; W56-L94 HydrophobicContact CG-CG 4.36Å; W56-L94 HydrophobicContact CH2-CB 4.08Å; W56-L94 HydrophobicContact CZ2-CB 3.83Å; W56-L94 VanDerWaalsContact CZ2-N 3.31Å; W56-L94 HydrophobicContact CZ3-CB 4.04Å; I69-L94 HydrophobicContact CG1-CD1 3.68Å; F83-L94 HydrophobicContact CD1-CD1 4.49Å; S84-L94 CarbonylContact O-C 3.51Å; S84-L94 WeakPolarHBondContact O-CA 3.32Å; L94-I96 HydrophobicContact CG-CG1 4.37Å; L94-Y107 HydrophobicContact CD2-CD1 3.59Å; L94-Y107 HydrophobicContact CD2-CE1 3.91Å; L94-Y107 HydrophobicContact CD2-CG 4.48Å
95	T	98.6	Very high	97.5	Very high	29 Å²	29	50.3 Å²	50.3	18%	0.178	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.3	174	-60.2	0	0	0	0	109.4	S36 V37 T38 F83 S84	S36-T95 WeakPolarHBondContact OG-CG2 3.2Å; V37-T95 WeakPolarHBondContact O-CA 2.99Å; T38-T95 PolarHBondContact OG1-OG1 3.04Å; T38-T95 VanDerWaalsContact OG1-OG1 3.13Å; F83-T95 CarbonylContact C-O 3.54Å; F83-T95 WeakPolarHBondContact CA-O 3.29Å; S84-T95 PolarHBondContact N-O 3.15Å; S84-T95 PolarHBondContact O-N 2.87Å; S84-T95 PolarHBondContact OG-O 2.81Å
96	I	98.6	Very high	97.4	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	116.9	172.7	-46.1	175.3	0	0	0	105.7	S36 V37 R82 F83 L94 L99 Y107	S36-I96 CarbonylContact C-O 3.52Å; S36-I96 WeakPolarHBondContact CA-O 3.29Å; S36-I96 PolarHBondContact OG-O 2.79Å; V37-I96 HydrophobicContact CG2-CB 4.1Å; V37-I96 HydrophobicContact CG2-CD1 4.43Å; V37-I96 HydrophobicContact CG2-CG1 4.48Å; V37-I96 PolarHBondContact N-O 3.28Å; V37-I96 PolarHBondContact O-N 3.39Å; R82-I96 HydrophobicContact CG-CG2 4.38Å; F83-I96 HydrophobicContact CD1-CB 4.44Å; F83-I96 HydrophobicContact CD1-CD1 4.21Å; F83-I96 HydrophobicContact CD1-CG1 3.76Å; F83-I96 HydrophobicContact CD1-CG2 4.13Å; F83-I96 HydrophobicContact CE1-CB 4.42Å; F83-I96 HydrophobicContact CE1-CD1 3.74Å; F83-I96 HydrophobicContact CE1-CG1 3.77Å; F83-I96 HydrophobicContact CE1-CG2 3.84Å; F83-I96 HydrophobicContact CZ-CG2 4.22Å; L94-I96 HydrophobicContact CG-CG1 4.37Å; I96-L99 HydrophobicContact CB-CD2 4.25Å; I96-L99 HydrophobicContact CG2-CD2 3.97Å; I96-Y107 HydrophobicContact CD1-CE1 3.98Å; I96-Y107 HydrophobicContact CD1-CE2 4.24Å
97	S	98.4	Very high	97.5	Very high	51 Å²	51	52.6 Å²	52.6	36%	0.357	32%	0.315	S	S	.	.			trans	-97.5	146.9	174.8	56.4	0	0	0	0	109.7	R82	R82-S97 WeakPolarHBondContact CA-OG 3.47Å; R82-S97 VanDerWaalsContact CB-O 3.28Å; R82-S97 WeakPolarHBondContact CB-O 3.38Å; R82-S97 WeakPolarHBondContact CD-O 3.43Å; R82-S97 PolarHBondContact O-N 3.35Å; R82-S97 PolarHBondContact O-OG 3.49Å
98	G	98.3	Very high	97.5	Very high	33 Å²	33	54.6 Å²	54.6	34%	0.34	32%	0.322	S	S	.	.	S	Bend	trans	59.9	53.3	178	0	0	0	0	0	113.1	Q35 Q100	Q35-G98 PolarHBondContact O-N 3.15Å; G98-Q100 VanDerWaalsContact O-CG 3.29Å; G98-Q100 WeakPolarHBondContact O-CG 3.26Å; G98-Q100 PolarHBondContact O-N 2.64Å
99	L	98.3	Very high	97.5	Very high	24 Å²	24	50.6 Å²	50.6	13%	0.126	29%	0.294	C	S	.	.			trans	-45.2	132.9	-178.1	-88.3	177.8	0	0	0	112.9	P33 G34 Q35 V37 I96 D103	P33-L99 WeakPolarHBondContact CA-O 3.41Å; G34-L99 PolarHBondContact N-O 2.81Å; Q35-L99 PolarHBondContact O-N 3.14Å; V37-L99 HydrophobicContact CB-CD1 4.22Å; V37-L99 HydrophobicContact CG1-CD1 3.47Å; V37-L99 VanDerWaalsContact CG1-CD1 3.47Å; V37-L99 HydrophobicContact CG1-CG 4.4Å; V37-L99 HydrophobicContact CG2-CD1 3.76Å; V37-L99 HydrophobicContact CG2-CD2 3.72Å; V37-L99 HydrophobicContact CG2-CG 3.89Å; I96-L99 HydrophobicContact CB-CD2 4.25Å; I96-L99 HydrophobicContact CG2-CD2 3.97Å; L99-D103 HydrophobicContact CD2-CB 3.99Å
100	Q	98	Very high	97.4	Very high	93 Å²	93	50.6 Å²	50.6	44%	0.435	29%	0.285	S	S	.	.			trans	-119.1	164.7	178.1	-49.7	-172.1	-37.2	0	0	110.7	G98 E102 D103	G98-Q100 VanDerWaalsContact O-CG 3.29Å; G98-Q100 WeakPolarHBondContact O-CG 3.26Å; G98-Q100 PolarHBondContact O-N 2.64Å; Q100-E102 VanDerWaalsContact CB-OE2 3.22Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.36Å; Q100-E102 PolarHBondContact O-N 3.42Å; Q100-D103 PolarHBondContact N-OD2 3.34Å; Q100-D103 WeakPolarHBondContact O-CB 3.46Å; Q100-D103 PolarHBondContact O-N 3.43Å; Q100-D103 VanDerWaalsContact O-N 3.12Å
101	A	96.4	Very high	97.1	Very high	82 Å²	82	49 Å²	49	68%	0.678	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-63.1	-31.5	179.7	0	0	0	0	0	112	D103 E104	A101-D103 PolarHBondContact O-N 2.88Å; A101-E104 PolarHBondContact O-N 3.25Å
102	E	95.9	Very high	96.1	Very high	132 Å²	132	55.4 Å²	55.4	62%	0.617	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-73	-8.9	178.8	-54.2	74.2	-158.6	0	0	113.3	Q58 Q100 E104	Q58-E102 PolarHBondContact NE2-O 2.78Å; Q100-E102 VanDerWaalsContact CB-OE2 3.22Å; Q100-E102 WeakPolarHBondContact CB-OE2 3.36Å; Q100-E102 PolarHBondContact O-N 3.42Å; E102-E104 VanDerWaalsContact C-N 3.27Å
103	D	97.5	Very high	94.6	Very high	9 Å²	9	60 Å²	60	5%	0.048	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-83.4	-4.7	176.2	-58	-30.2	0	0	0	111.8	R82 F83 L99 Q100 A101 A105 Y107	R82-D103 IonicContact CZ-OD1 3.43Å; R82-D103 IonicContact NE-OD1 3.29Å; R82-D103 PolarHBondContact NE-OD1 3.32Å; R82-D103 IonicContact NE-OD2 3.31Å; R82-D103 PolarHBondContact NE-OD2 2.77Å; R82-D103 IonicContact NH2-OD1 2.73Å; R82-D103 PolarHBondContact NH2-OD1 3.34Å; R82-D103 IonicContact NH2-OD2 3.93Å; F83-D103 VanDerWaalsContact CZ-OD1 3.24Å; F83-D103 WeakPolarHBondContact CZ-OD1 3.46Å; L99-D103 HydrophobicContact CD2-CB 3.99Å; Q100-D103 PolarHBondContact N-OD2 3.34Å; Q100-D103 WeakPolarHBondContact O-CB 3.46Å; Q100-D103 PolarHBondContact O-N 3.43Å; Q100-D103 VanDerWaalsContact O-N 3.12Å; A101-D103 PolarHBondContact O-N 2.88Å; D103-A105 PolarHBondContact O-N 2.58Å; D103-A105 VanDerWaalsContact O-N 3.14Å; D103-Y107 VanDerWaalsContact O-CE2 3.32Å; D103-Y107 WeakPolarHBondContact O-CE2 3.41Å; D103-Y107 PolarHBondContact O-OH 2.79Å
104	E	97.6	Very high	92.6	Very high	167 Å²	167	61.4 Å²	61.4	78%	0.78	34%	0.335	S	S	*	.			trans	-71.3	105.2	173.1	-170.5	175.7	170.6	0	0	110.8	A101 E102	A101-E104 PolarHBondContact O-N 3.25Å; E102-E104 VanDerWaalsContact C-N 3.27Å
105	A	98	Very high	90.5	Very high	24 Å²	24	66 Å²	66	20%	0.198	37%	0.367	C	S	.	.	S	Bend	trans	-163.3	166.4	-175.9	0	0	0	0	0	110.9	Q58 P60 D103 Y107	Q58-A105 HydrophobicContact CG-CB 3.46Å; Q58-A105 VanDerWaalsContact CG-CB 3.46Å; P60-A105 HydrophobicContact CG-CB 4.34Å; D103-A105 PolarHBondContact O-N 2.58Å; D103-A105 VanDerWaalsContact O-N 3.14Å; A105-Y107 HydrophobicContact CB-CE2 4.04Å; A105-Y107 VanDerWaalsContact O-CD2 3.3Å; A105-Y107 WeakPolarHBondContact O-CD2 3.37Å
106	D	98.1	Very high	87.9	Confident	94 Å²	94	69 Å²	69	50%	0.503	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.6	162.2	-65.3	-40.6	0	0	0	109.6	Q58 Q59 Y108	Q58-D106 CarbonylContact C-O 3.57Å; Q59-D106 HydrophobicContact CB-CB 4.45Å; Q59-D106 PolarHBondContact N-O 3.08Å; Q59-D106 PolarHBondContact O-N 3.33Å; D106-Y108 HydrophobicContact CB-CD2 4.49Å; D106-Y108 HydrophobicContact CB-CE2 3.52Å; D106-Y108 WeakPolarHBondContact CB-OH 3.28Å; D106-Y108 PolarHBondContact OD2-OH 3.4Å
107	Y	98.3	Very high	85.1	Confident	25 Å²	25	74.7 Å²	74.7	10%	0.098	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.2	176.9	-72.7	-93.1	0	0	0	110.5	Q25 I39 Y57 Q58 F83 L94 I96 D103 A105	Q25-Y107 PolarHBondContact NE2-O 2.84Å; I39-Y107 HydrophobicContact CD1-CD1 4.26Å; I39-Y107 HydrophobicContact CD1-CD2 3.78Å; I39-Y107 HydrophobicContact CD1-CE2 4.46Å; I39-Y107 HydrophobicContact CD1-CG 3.65Å; Y57-Y107 WeakPolarHBondContact O-CA 3.23Å; Q58-Y107 HydrophobicContact CB-CD1 4.08Å; Q58-Y107 HydrophobicContact CB-CE1 3.71Å; Q58-Y107 HydrophobicContact CG-CD1 4.27Å; Q58-Y107 HydrophobicContact CG-CE1 3.63Å; Q58-Y107 HydrophobicContact CG-CE2 4.37Å; Q58-Y107 PolarHBondContact NE2-OH 3Å; F83-Y107 HydrophobicContact CE1-CE1 4.3Å; L94-Y107 HydrophobicContact CD2-CD1 3.59Å; L94-Y107 HydrophobicContact CD2-CE1 3.91Å; L94-Y107 HydrophobicContact CD2-CG 4.48Å; I96-Y107 HydrophobicContact CD1-CE1 3.98Å; I96-Y107 HydrophobicContact CD1-CE2 4.24Å; D103-Y107 VanDerWaalsContact O-CE2 3.32Å; D103-Y107 WeakPolarHBondContact O-CE2 3.41Å; D103-Y107 PolarHBondContact O-OH 2.79Å; A105-Y107 HydrophobicContact CB-CE2 4.04Å; A105-Y107 VanDerWaalsContact O-CD2 3.3Å; A105-Y107 WeakPolarHBondContact O-CD2 3.37Å
108	Y	97.1	Very high	82.1	Confident	99 Å²	99	84.7 Å²	84.7	39%	0.388	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.1	-177.7	-54.5	-82.1	0	0	0	110.5	W56 Y57 Q59 D106	W56-Y108 CarbonylContact C-O 3.55Å; W56-Y108 WeakPolarHBondContact CA-O 3.47Å; Y57-Y108 PolarHBondContact N-O 3.02Å; Y57-Y108 PolarHBondContact O-N 3.29Å; Q59-Y108 HydrophobicContact CB-CD2 4.42Å; Q59-Y108 HydrophobicContact CB-CE2 3.88Å; Q59-Y108 VanDerWaalsContact OE1-CE2 3.31Å; D106-Y108 HydrophobicContact CB-CD2 4.49Å; D106-Y108 HydrophobicContact CB-CE2 3.52Å; D106-Y108 WeakPolarHBondContact CB-OH 3.28Å; D106-Y108 PolarHBondContact OD2-OH 3.4Å
109	C	96.2	Very high	81.3	Confident	13 Å²	13	87.3 Å²	87.3	9%	0.088	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	144.2	162.7	69.3	0	0	0	0	109.8	Q25 C41 V54 S55 W56	Q25-C109 PolarHBondContact OE1-SG 3.31Å; C41-C109 HydrophobicContact CB-CB 3.4Å; C41-C109 WeakPolarHBondContact CB-SG 3.34Å; C41-C109 WeakPolarHBondContact SG-CB 3.28Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 3.34Å; V54-C109 HydrophobicContact CG1-CB 4.2Å; S55-C109 CarbonylContact O-C 3.54Å; S55-C109 VanDerWaalsContact O-CA 3.29Å; S55-C109 WeakPolarHBondContact O-CA 3.09Å; W56-C109 HydrophobicContact CD2-CB 4.22Å; W56-C109 HydrophobicContact CE3-CB 4.06Å; W56-C109 HydrophobicContact CH2-CB 4.11Å; W56-C109 HydrophobicContact CZ2-CB 4.25Å; W56-C109 HydrophobicContact CZ3-CB 4.02Å
110	S	93.9	Very high	80.4	Confident	53 Å²	53	90.6 Å²	90.6	37%	0.371	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.7	177.5	-178.4	0	0	0	0	110.2	V54 S55	V54-S110 WeakPolarHBondContact CA-O 3.32Å; S55-S110 PolarHBondContact N-O 2.79Å; S55-S110 PolarHBondContact O-N 3.34Å
111	L	88.8	Confident	79.4	Confident	32 Å²	32	90.5 Å²	90.5	17%	0.168	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.3	175.1	-79.6	172.7	0	0	0	109	L23 D47 V48 R53 V54	L23-L111 HydrophobicContact CD1-CB 4.38Å; L23-L111 HydrophobicContact CD1-CD1 4.04Å; L23-L111 HydrophobicContact CD1-CG 3.93Å; L23-L111 HydrophobicContact CD2-CD1 3.69Å; L23-L111 HydrophobicContact CD2-CG 4.39Å; L23-L111 HydrophobicContact CG-CD1 4.25Å; D47-L111 VanDerWaalsContact C-CD1 3.48Å; D47-L111 HydrophobicContact CB-CD1 3.35Å; D47-L111 WeakPolarHBondContact O-CD2 3.24Å; V48-L111 HydrophobicContact CG2-CD1 3.85Å; R53-L111 HydrophobicContact CB-CD2 4.1Å; V54-L111 HydrophobicContact CB-CD2 4.24Å; V54-L111 HydrophobicContact CG2-CD2 3.42Å; V54-L111 VanDerWaalsContact CG2-CD2 3.42Å; V54-L111 HydrophobicContact CG2-CG 4.14Å
112	Y	75.4	Confident	78.4	Confident	178 Å²	178	91 Å²	91	70%	0.698	48%	0.478	S	S	*	.			trans	-91.9	102.7	161.8	-176	-99.9	0	0	0	109.7	R53 S114	R53-Y112 VanDerWaalsContact CD-O 3.24Å; R53-Y112 WeakPolarHBondContact CD-O 3.16Å; R53-Y112 PolarHBondContact NH1-O 3.14Å; R53-Y112 VanDerWaalsContact NH1-O 3.14Å; Y112-S114 PolarHBondContact O-N 3.07Å
113	T	66.2	Low	77.3	Confident	96 Å²	96	88.4 Å²	88.4	59%	0.589	47%	0.47	S	S	*	.			trans	-74.9	113.2	166.5	55.6	0	0	0	0	107.9	S115	T113-S115 VanDerWaalsContact C-N 3.32Å; T113-S115 PolarHBondContact O-N 2.78Å; T113-S115 VanDerWaalsContact O-N 3.07Å
114	S	56.3	Low	76	Confident	52 Å²	52	93.7 Å²	93.7	36%	0.364	50%	0.498	S	S	.	.			trans	-76.1	95.6	162.7	60.7	0	0	0	0	105.4	R53 Y112 S116	R53-S114 PolarHBondContact NH1-OG 2.89Å; R53-S114 PolarHBondContact NH2-OG 2.84Å; Y112-S114 PolarHBondContact O-N 3.07Å; S114-S116 PolarHBondContact O-N 2.88Å
115	S	54.2	Low	74.4	Confident	96 Å²	96	88.5 Å²	88.5	67%	0.671	48%	0.477	S	S	*	.			trans	-67.3	93.5	166.2	65.5	0	0	0	0	107	T113 T117	T113-S115 VanDerWaalsContact C-N 3.32Å; T113-S115 PolarHBondContact O-N 2.78Å; T113-S115 VanDerWaalsContact O-N 3.07Å; S115-T117 PolarHBondContact O-N 3.28Å
116	S	44.7	Very low	72.6	Confident	92 Å²	92	93.5 Å²	93.5	64%	0.643	50%	0.499	S	S	*	.			trans	-75.5	70.9	157.1	55.3	0	0	0	0	106.9	S114 F118	S114-S116 PolarHBondContact O-N 2.88Å; S116-F118 PolarHBondContact O-N 3.01Å
117	T	39.2	Very low	70.5	Confident	124 Å²	124	93.4 Å²	93.4	76%	0.761	50%	0.499	S	S	*	.			trans	-78.3	101.5	164.7	-43.5	0	0	0	0	105.5	S115	S115-T117 PolarHBondContact O-N 3.28Å
118	F	35.7	Very low	68	Low	261 Å²	261	99.6 Å²	99.6	100%	1.145	54%	0.535	S	S	*	.			trans	-80.3	0	157.7	-71.5	-82.2	0	0	0	109	S116	S116-F118 PolarHBondContact O-N 3.01Å

Retrieved 118 of 118 residues in 55.3 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).