KV228_HUMAN Loading...

Immunoglobulin kappa variable 2-28

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 A0A075B6P5, Species HUMAN (Homo sapiens, Human), Gene IGKV2-28, Length 120 aa.

						>KV228_HUMAN|A0A075B6P5|IGKV2-28
MRLPAQLLGLLMLWVSGSSGDIVMTQSPLSLPVTPGEPASISCRSSQSLLHSNGYNYLDWYLQKPGQSPQLLIYLGSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQALQTP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	57.8	Low	239 Å²	239	133 Å²	133	100%	1.177	70%	0.699	S	S	*	*				0	110.6	0	-73.2	159.6	150.7	0	0	108
2	R	56.6	Low	58	Low	247 Å²	247	133.8 Å²	133.8	93%	0.932	70%	0.7	S	S	*	*			trans	-89.7	110.6	174.9	-70.6	-170.9	176.5	-173	-0.5	107.1
3	L	58.3	Low	58.2	Low	145 Å²	145	134.9 Å²	134.9	76%	0.759	71%	0.705	S	S	*	*			trans	-64	125.6	169.9	-86.4	91	0	0	0	107.9	A5	L3-A5 PolarHBondContact O-N 3.37Å
4	P	56.4	Low	58.3	Low	81 Å²	81	138.9 Å²	138.9	53%	0.526	71%	0.706	S	S	.	*			trans	-71.6	131.8	-174	26.5	-30.8	0	0	0	110.1	Q6 L7	P4-Q6 PolarHBondContact O-N 3.41Å; P4-L7 PolarHBondContact O-N 3.25Å
5	A	63.4	Low	58.5	Low	86 Å²	86	136.8 Å²	136.8	71%	0.711	70%	0.703	S	S	*	*	H	α-helix	trans	-51.4	-21.7	178.2	0	0	0	0	0	114	L3 L7 L8 G9	L3-A5 PolarHBondContact O-N 3.37Å; A5-L7 VanDerWaalsContact C-N 3.31Å; A5-L7 PolarHBondContact O-N 3.27Å; A5-L8 WeakPolarHBondContact O-CB 3.36Å; A5-L8 PolarHBondContact O-N 3.09Å; A5-G9 PolarHBondContact O-N 2.83Å
6	Q	61.3	Low	58.7	Low	166 Å²	166	134.9 Å²	134.9	78%	0.776	71%	0.705	S	S	*	*	H	α-helix	trans	-63.8	-31.5	175.5	-58.2	-159.1	-86.7	0	0	113.5	P4 L8 G9 L10	P4-Q6 PolarHBondContact O-N 3.41Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; Q6-G9 PolarHBondContact O-N 3.03Å; Q6-L10 PolarHBondContact O-N 3.2Å
7	L	58.7	Low	58.8	Low	109 Å²	109	131.1 Å²	131.1	57%	0.571	71%	0.706	S	S	*	*	H	α-helix	trans	-68.9	-34.3	177.1	-154	78.7	0	0	0	111.1	P4 A5 L11	P4-L7 PolarHBondContact O-N 3.25Å; A5-L7 VanDerWaalsContact C-N 3.31Å; A5-L7 PolarHBondContact O-N 3.27Å; L7-L11 PolarHBondContact O-N 3.4Å; L7-L11 VanDerWaalsContact O-N 3.08Å
8	L	57.8	Low	59.2	Low	122 Å²	122	130.4 Å²	130.4	64%	0.639	71%	0.713	S	S	*	*	H	α-helix	trans	-68.1	-41.2	175	-132.5	85.1	0	0	0	111.5	A5 Q6 L11 M12	A5-L8 WeakPolarHBondContact O-CB 3.36Å; A5-L8 PolarHBondContact O-N 3.09Å; Q6-L8 VanDerWaalsContact C-N 3.31Å; L8-L11 PolarHBondContact O-N 2.93Å; L8-M12 PolarHBondContact O-N 2.84Å
9	G	60.2	Low	59.6	Low	39 Å²	39	128.7 Å²	128.7	40%	0.402	71%	0.712	S	S	.	*	H	α-helix	trans	-64.6	-37.9	175.5	0	0	0	0	0	112.9	A5 Q6	A5-G9 PolarHBondContact O-N 2.83Å; Q6-G9 PolarHBondContact O-N 3.03Å
10	L	60	Low	60.6	Low	103 Å²	103	124.4 Å²	124.4	54%	0.539	70%	0.698	S	S	.	*	H	α-helix	trans	-64	-44.4	172.4	-128.5	85.4	0	0	0	110.9	Q6 M12 L13	Q6-L10 PolarHBondContact O-N 3.2Å; L10-M12 VanDerWaalsContact C-N 3.3Å; L10-M12 PolarHBondContact O-N 3.19Å; L10-L13 WeakPolarHBondContact O-CB 3.39Å; L10-L13 PolarHBondContact O-N 3.18Å; L10-L13 VanDerWaalsContact O-N 3.11Å
11	L	59.5	Low	61.9	Low	126 Å²	126	124 Å²	124	66%	0.66	69%	0.694	S	S	*	*	H	α-helix	trans	-60.1	-35.2	-178.6	-150	82.2	0	0	0	113.1	L7 L8 L13 W14	L7-L11 PolarHBondContact O-N 3.4Å; L7-L11 VanDerWaalsContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 2.93Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.85Å; L11-W14 PolarHBondContact O-N 2.81Å
12	M	60.3	Low	64.3	Low	143 Å²	143	113.3 Å²	113.3	70%	0.704	64%	0.642	S	S	*	*	H	α-helix	trans	-71.1	-25	177.6	-70.8	-70.9	-179	0	0	113.5	L8 L10 W14	L8-M12 PolarHBondContact O-N 2.84Å; L10-M12 VanDerWaalsContact C-N 3.3Å; L10-M12 PolarHBondContact O-N 3.19Å; M12-W14 PolarHBondContact O-N 3.03Å
13	L	61.2	Low	66.1	Low	148 Å²	148	105.8 Å²	105.8	78%	0.775	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-10.7	174.1	-77.4	152.2	0	0	0	113	L10 L11	L10-L13 WeakPolarHBondContact O-CB 3.39Å; L10-L13 PolarHBondContact O-N 3.18Å; L10-L13 VanDerWaalsContact O-N 3.11Å; L11-L13 VanDerWaalsContact C-N 3.34Å; L11-L13 PolarHBondContact O-N 2.85Å
14	W	59.8	Low	68	Low	190 Å²	190	101.1 Å²	101.1	72%	0.72	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	6.3	174.9	-65.7	95.1	0	0	0	113.8	L11 M12 S16	L11-W14 PolarHBondContact O-N 2.81Å; M12-W14 PolarHBondContact O-N 3.03Å; W14-S16 PolarHBondContact O-N 2.85Å
15	V	61.1	Low	70	Confident	108 Å²	108	101.5 Å²	101.5	66%	0.655	60%	0.599	S	S	*	*			trans	-72.9	82.1	166.7	-173.3	0	0	0	0	106.7	G17	V15-G17 PolarHBondContact O-N 2.87Å
16	S	61.3	Low	71.6	Confident	106 Å²	106	99.9 Å²	99.9	74%	0.741	58%	0.577	S	S	*	*			trans	-46	113.1	164.8	-59.6	0	0	0	0	106.5	W14 S18	W14-S16 PolarHBondContact O-N 2.85Å; S16-S18 PolarHBondContact O-N 3.31Å
17	G	61.4	Low	73.4	Confident	70 Å²	70	95.5 Å²	95.5	72%	0.722	57%	0.565	S	S	*	*			trans	-49.1	120.7	179.7	0	0	0	0	0	108.3	V15 S19	V15-G17 PolarHBondContact O-N 2.87Å; G17-S19 PolarHBondContact O-N 3Å
18	S	65.1	Low	75.3	Confident	119 Å²	119	92.9 Å²	92.9	83%	0.832	55%	0.554	S	S	*	*			trans	-63.9	105.6	170.3	176.2	0	0	0	0	106	S16 G20	S16-S18 PolarHBondContact O-N 3.31Å; S18-G20 VanDerWaalsContact C-N 3.34Å; S18-G20 PolarHBondContact O-N 3Å
19	S	67.7	Low	77.1	Confident	99 Å²	99	95.2 Å²	95.2	69%	0.692	57%	0.566	S	S	*	*			trans	-69.2	98.6	166	48.2	0	0	0	0	106.3	G17	G17-S19 PolarHBondContact O-N 3Å
20	G	78.9	Confident	78.9	Confident	42 Å²	42	98.1 Å²	98.1	43%	0.433	58%	0.58	S	S	.	*			trans	-65.1	155.9	171.3	0	0	0	0	0	110.9	S18 Q47	S18-G20 VanDerWaalsContact C-N 3.34Å; S18-G20 PolarHBondContact O-N 3Å; G20-Q47 PolarHBondContact O-NE2 2.86Å
21	D	87.7	Confident	80.6	Confident	115 Å²	115	96.9 Å²	96.9	62%	0.615	57%	0.574	S	S	*	*			trans	-54.6	149.1	176	-71.2	-24.5	0	0	0	112.2	V23	D21-V23 PolarHBondContact O-N 2.82Å; D21-V23 VanDerWaalsContact O-N 3.09Å
22	I	93.4	Very high	82.4	Confident	15 Å²	15	96.7 Å²	96.7	8%	0.077	58%	0.58	C	S	.	*			trans	-72.3	105.3	169.6	-57.9	-178.4	0	0	0	109.1	M24 S45 Q47 L49 Q115 L117 Q118	I22-M24 HydrophobicContact CG2-SD 3.87Å; I22-S45 WeakPolarHBondContact CG2-OG 3.33Å; I22-Q47 HydrophobicContact CD1-CB 4.34Å; I22-Q47 HydrophobicContact CG1-CB 4.24Å; I22-Q47 HydrophobicContact CG1-CG 4.35Å; I22-L49 HydrophobicContact CD1-CD2 3.92Å; I22-L49 HydrophobicContact CG2-CD2 4.16Å; I22-Q115 HydrophobicContact CB-CG 3.94Å; I22-Q115 HydrophobicContact CD1-CG 4.42Å; I22-Q115 HydrophobicContact CG2-CB 4.41Å; I22-Q115 HydrophobicContact CG2-CG 3.96Å; I22-L117 HydrophobicContact CD1-CB 4.35Å; I22-L117 HydrophobicContact CD1-CD2 4.11Å; I22-Q118 HydrophobicContact CD1-CB 4.21Å; I22-Q118 HydrophobicContact CD1-CG 3.93Å
23	V	95.1	Very high	84.1	Confident	90 Å²	90	92.5 Å²	92.5	55%	0.545	56%	0.563	S	S	.	*			trans	-77.6	132.2	173.8	-176.7	0	0	0	0	110.5	D21 S46	D21-V23 PolarHBondContact O-N 2.82Å; D21-V23 VanDerWaalsContact O-N 3.09Å; V23-S46 PolarHBondContact N-OG 2.02Å; V23-S46 PolarHBondContact O-N 3.41Å; V23-S46 PolarHBondContact O-OG 2.82Å
24	M	97	Very high	85.8	Confident	47 Å²	47	90.2 Å²	90.2	23%	0.232	56%	0.555	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.9	133.8	176.4	-55.4	-55.3	-72.4	0	0	110.1	I22 C43 R44 L49 L58 Q115	I22-M24 HydrophobicContact CG2-SD 3.87Å; M24-C43 WeakPolarHBondContact CE-SG 3.34Å; M24-R44 CarbonylContact C-O 3.58Å; M24-R44 WeakPolarHBondContact CA-O 3.25Å; M24-L49 HydrophobicContact CE-CD1 3.89Å; M24-L49 HydrophobicContact SD-CD1 4.42Å; M24-L58 HydrophobicContact CE-CD1 3.5Å; M24-Q115 HydrophobicContact CE-CB 4.3Å; M24-Q115 HydrophobicContact CG-CG 4.45Å; M24-Q115 HydrophobicContact SD-CB 3.85Å; M24-Q115 HydrophobicContact SD-CG 4.09Å
25	T	98.2	Very high	87.6	Confident	88 Å²	88	85.5 Å²	85.5	54%	0.54	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.9	179.1	-56.8	0	0	0	0	110.3	C43 R44	T25-C43 CarbonylContact O-C 3.2Å; T25-C43 WeakPolarHBondContact O-CA 3.22Å; T25-R44 PolarHBondContact N-O 2.85Å; T25-R44 PolarHBondContact O-N 2.9Å
26	Q	98.4	Very high	89.3	Confident	53 Å²	53	82 Å²	82	25%	0.248	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.9	-178.9	-72.8	177	-131.9	0	0	112.5	S42 C43 Y111 C113	Q26-S42 VanDerWaalsContact CA-O 3.3Å; Q26-S42 WeakPolarHBondContact CA-O 3.26Å; Q26-C43 HydrophobicContact CG-CB 4.32Å; Q26-Y111 PolarHBondContact NE2-O 2.94Å; Q26-C113 HydrophobicContact CG-CB 4.49Å; Q26-C113 WeakPolarHBondContact CG-SG 3.45Å; Q26-C113 PolarHBondContact OE1-SG 3.06Å; Q26-C113 VanDerWaalsContact OE1-SG 3.41Å
27	S	98.5	Very high	91.1	Very high	74 Å²	74	82.4 Å²	82.4	52%	0.517	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	141.9	174.6	179.9	0	0	0	0	111.8	S42	S27-S42 PolarHBondContact N-O 3.24Å; S27-S42 PolarHBondContact O-N 3.23Å
28	P	98.3	Very high	92.9	Very high	53 Å²	53	82.5 Å²	82.5	34%	0.344	51%	0.513	S	S	.	.			cis	-75.2	162.4	-8.8	34.3	-36.8	0	0	0	111.8	S30 L31	P28-S30 VanDerWaalsContact C-N 3.3Å; P28-L31 HydrophobicContact CG-CB 3.95Å; P28-L31 HydrophobicContact CG-CD1 4.2Å; P28-L31 HydrophobicContact CG-CG 4.45Å
29	L	96	Very high	94.5	Very high	172 Å²	172	77.3 Å²	77.3	90%	0.901	48%	0.477	S	S	*	.	S	Bend	trans	-72	-24.4	176.2	-67	175.8	0	0	0	113.2
30	S	97.6	Very high	95.9	Very high	99 Å²	99	75.2 Å²	75.2	69%	0.692	46%	0.463	S	S	*	.			trans	-146.2	137.7	174.7	-175.3	0	0	0	0	108.6	P28	P28-S30 VanDerWaalsContact C-N 3.3Å
31	L	96.5	Very high	96.9	Very high	77 Å²	77	74.2 Å²	74.2	40%	0.403	45%	0.447	S	S	.	.			trans	-134.2	94	-177.1	-176.7	56.5	0	0	0	109.9	P28 V33 A39	P28-L31 HydrophobicContact CG-CB 3.95Å; P28-L31 HydrophobicContact CG-CD1 4.2Å; P28-L31 HydrophobicContact CG-CG 4.45Å; L31-V33 PolarHBondContact O-N 2.97Å; L31-A39 HydrophobicContact CD2-CB 3.8Å
32	P	96.5	Very high	97.4	Very high	123 Å²	123	71.6 Å²	71.6	80%	0.799	44%	0.438	S	S	*	.			trans	-68.8	122.8	167.4	28.6	-31.5	0	0	0	108.7
33	V	96	Very high	97.7	Very high	55 Å²	55	71 Å²	71	33%	0.333	44%	0.435	S	S	.	.			trans	-135.9	141.4	-178.4	61.8	0	0	0	0	109.9	L31 E37 A39 V103	L31-V33 PolarHBondContact O-N 2.97Å; V33-E37 HydrophobicContact CG2-CB 3.98Å; V33-A39 HydrophobicContact CG2-CB 4.32Å; V33-V103 HydrophobicContact CG1-CB 4.23Å; V33-V103 HydrophobicContact CG1-CG1 3.77Å; V33-V103 HydrophobicContact CG1-CG2 4.02Å; V33-V103 HydrophobicContact CG2-CB 4.37Å; V33-V103 HydrophobicContact CG2-CG2 4.05Å
34	T	97.1	Very high	97.8	Very high	99 Å²	99	73.9 Å²	73.9	61%	0.607	44%	0.436	S	S	*	.			trans	-81.4	135.9	176.2	-57.3	0	0	0	0	109.7	G36 E37	T34-G36 PolarHBondContact O-N 2.84Å; T34-E37 WeakPolarHBondContact O-CB 3.49Å; T34-E37 PolarHBondContact O-N 2.85Å; T34-E37 VanDerWaalsContact O-N 3.09Å
35	P	97.4	Very high	97.9	Very high	91 Å²	91	71.8 Å²	71.8	59%	0.591	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	137.2	173.1	-27.4	35.2	0	0	0	112	V103	P35-V103 CarbonylContact C-O 3.54Å; P35-V103 WeakPolarHBondContact CA-O 3.36Å
36	G	98.1	Very high	97.8	Very high	35 Å²	35	71 Å²	71	36%	0.361	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	95	-26	-174.7	0	0	0	0	0	114.5	T34 V103	T34-G36 PolarHBondContact O-N 2.84Å; G36-V103 PolarHBondContact N-O 2.88Å
37	E	98.4	Very high	97.6	Very high	114 Å²	114	72 Å²	72	53%	0.533	43%	0.428	S	S	.	.	S	Bend	trans	-79.3	154.8	177.2	-68.3	-63.8	136	0	0	111.6	V33 T34 V103	V33-E37 HydrophobicContact CG2-CB 3.98Å; T34-E37 WeakPolarHBondContact O-CB 3.49Å; T34-E37 PolarHBondContact O-N 2.85Å; T34-E37 VanDerWaalsContact O-N 3.09Å; E37-V103 WeakPolarHBondContact O-CB 3.43Å; E37-V103 WeakPolarHBondContact O-CG2 3.32Å; E37-V103 PolarHBondContact O-N 2.8Å
38	P	98.5	Very high	97.6	Very high	72 Å²	72	71.4 Å²	71.4	47%	0.468	42%	0.424	S	S	.	.			trans	-75.7	150.8	171.4	31.8	-34	0	0	0	111.5	I100	P38-I100 CarbonylContact C-O 3.56Å; P38-I100 WeakPolarHBondContact CA-O 3.32Å
39	A	98.4	Very high	97.5	Very high	10 Å²	10	68.9 Å²	68.9	8%	0.083	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.9	171.6	0	0	0	0	0	110.6	L31 V33 K99 I100 V103	L31-A39 HydrophobicContact CD2-CB 3.8Å; V33-A39 HydrophobicContact CG2-CB 4.32Å; A39-K99 CarbonylContact O-C 3.56Å; A39-K99 WeakPolarHBondContact O-CA 3.31Å; A39-I100 HydrophobicContact CB-CB 4.42Å; A39-I100 PolarHBondContact N-O 3.42Å; A39-I100 PolarHBondContact O-N 3.41Å; A39-V103 HydrophobicContact CB-CG2 3.61Å
40	S	98.6	Very high	97.6	Very high	56 Å²	56	64.3 Å²	64.3	39%	0.392	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.9	174.8	-64	0	0	0	0	110.8	L98	S40-L98 CarbonylContact C-O 3.59Å; S40-L98 VanDerWaalsContact CA-O 3.25Å; S40-L98 WeakPolarHBondContact CA-O 3.28Å
41	I	98.7	Very high	97.6	Very high	21 Å²	21	63.2 Å²	63.2	11%	0.108	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.9	174.9	-56.6	168.6	0	0	0	107.2	W60 T97 L98 Y111	I41-W60 HydrophobicContact CB-CH2 4.21Å; I41-W60 HydrophobicContact CB-CZ3 4.31Å; I41-W60 HydrophobicContact CG2-CH2 3.9Å; I41-W60 HydrophobicContact CG2-CZ3 3.93Å; I41-T97 CarbonylContact O-C 3.53Å; I41-T97 WeakPolarHBondContact O-CA 3.23Å; I41-L98 PolarHBondContact N-O 3.28Å; I41-L98 PolarHBondContact O-N 2.83Å; I41-Y111 HydrophobicContact CD1-CD2 3.89Å; I41-Y111 HydrophobicContact CD1-CG 3.78Å
42	S	98.8	Very high	97.6	Very high	60 Å²	60	65.1 Å²	65.1	42%	0.42	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.3	175.3	-61.9	0	0	0	0	110.5	Q26 S27 F96	Q26-S42 VanDerWaalsContact CA-O 3.3Å; Q26-S42 WeakPolarHBondContact CA-O 3.26Å; S27-S42 PolarHBondContact N-O 3.24Å; S27-S42 PolarHBondContact O-N 3.23Å; S42-F96 WeakPolarHBondContact CA-O 3.31Å
43	C	98.7	Very high	97.6	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.014	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.3	172.6	175.4	0	0	0	0	109.4	M24 T25 Q26 W60 F96 C113	M24-C43 WeakPolarHBondContact CE-SG 3.34Å; T25-C43 CarbonylContact O-C 3.2Å; T25-C43 WeakPolarHBondContact O-CA 3.22Å; Q26-C43 HydrophobicContact CG-CB 4.32Å; C43-W60 HydrophobicContact CB-CH2 3.48Å; C43-W60 VanDerWaalsContact CB-CH2 3.48Å; C43-W60 HydrophobicContact CB-CZ2 3.51Å; C43-W60 HydrophobicContact CB-CZ3 4.46Å; C43-F96 HydrophobicContact CB-CB 4.37Å; C43-F96 PolarHBondContact N-O 3.16Å; C43-F96 PolarHBondContact O-N 2.95Å; C43-C113 HydrophobicContact CB-CB 3.53Å; C43-C113 WeakPolarHBondContact CB-SG 3.46Å; C43-C113 WeakPolarHBondContact SG-CB 3.44Å; C43-C113 CovalentContact SG-SG 2.02Å; C43-C113 PolarHBondContact SG-SG 3.46Å
44	R	98.6	Very high	97.6	Very high	150 Å²	150	62.4 Å²	62.4	57%	0.566	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.4	175.6	-178.4	171.9	-69.3	143.9	2.8	110.4	M24 T25 T94 D95	M24-R44 CarbonylContact C-O 3.58Å; M24-R44 WeakPolarHBondContact CA-O 3.25Å; T25-R44 PolarHBondContact N-O 2.85Å; T25-R44 PolarHBondContact O-N 2.9Å; R44-T94 CarbonylContact C-O 3.58Å; R44-T94 VanDerWaalsContact CA-O 3.24Å; R44-T94 WeakPolarHBondContact CA-O 3.36Å; R44-D95 IonicContact CZ-OD1 3.53Å; R44-D95 VanDerWaalsContact CZ-OD1 3.27Å; R44-D95 IonicContact NE-OD1 3.41Å; R44-D95 PolarHBondContact NE-OD1 2.76Å; R44-D95 IonicContact NH2-OD1 2.8Å; R44-D95 PolarHBondContact NH2-OD1 2.78Å
45	S	97.8	Very high	97.6	Very high	4 Å²	4	63.8 Å²	63.8	3%	0.028	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144.6	170.6	177	0	0	0	0	110.5	I22 Q47 T94	I22-S45 WeakPolarHBondContact CG2-OG 3.33Å; S45-Q47 VanDerWaalsContact CB-O 3.26Å; S45-Q47 WeakPolarHBondContact CB-O 3.39Å; S45-Q47 PolarHBondContact O-N 2.8Å; S45-Q47 PolarHBondContact OG-N 2.92Å; S45-Q47 PolarHBondContact OG-O 2.9Å; S45-T94 PolarHBondContact N-O 2.78Å
46	S	96.5	Very high	97.6	Very high	70 Å²	70	60.5 Å²	60.5	49%	0.49	35%	0.349	S	S	.	.	S	Bend	trans	-69.5	-18.4	173.2	56.2	0	0	0	0	114.1	V23	V23-S46 PolarHBondContact N-OG 2.02Å; V23-S46 PolarHBondContact O-N 3.41Å; V23-S46 PolarHBondContact O-OG 2.82Å
47	Q	95.5	Very high	97.6	Very high	74 Å²	74	61.6 Å²	61.6	35%	0.346	34%	0.343	S	S	.	.	S	Bend	trans	-135.3	157.2	178.5	-58.9	-177.8	43	0	0	110.1	G20 I22 S45 L49	G20-Q47 PolarHBondContact O-NE2 2.86Å; I22-Q47 HydrophobicContact CD1-CB 4.34Å; I22-Q47 HydrophobicContact CG1-CB 4.24Å; I22-Q47 HydrophobicContact CG1-CG 4.35Å; S45-Q47 VanDerWaalsContact CB-O 3.26Å; S45-Q47 WeakPolarHBondContact CB-O 3.39Å; S45-Q47 PolarHBondContact O-N 2.8Å; S45-Q47 PolarHBondContact OG-N 2.92Å; S45-Q47 PolarHBondContact OG-O 2.9Å; Q47-L49 PolarHBondContact O-N 3.41Å
48	S	97	Very high	97.6	Very high	62 Å²	62	56.2 Å²	56.2	43%	0.434	32%	0.317	S	S	.	.			trans	-63.3	124.6	177	177.2	0	0	0	0	111	L50 L117	S48-L50 VanDerWaalsContact C-N 3.33Å; S48-L50 PolarHBondContact OG-N 3.45Å; S48-L117 WeakPolarHBondContact O-CD2 3.49Å
49	L	97.6	Very high	97.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.301	C	S	.	.			trans	-88.6	-3.1	171.7	-56	-174.3	0	0	0	112.9	I22 M24 Q47 H51 N56 Y57 L58 G93 F96 Q115 L117	I22-L49 HydrophobicContact CD1-CD2 3.92Å; I22-L49 HydrophobicContact CG2-CD2 4.16Å; M24-L49 HydrophobicContact CE-CD1 3.89Å; M24-L49 HydrophobicContact SD-CD1 4.42Å; Q47-L49 PolarHBondContact O-N 3.41Å; L49-H51 PolarHBondContact O-N 2.86Å; L49-N56 WeakPolarHBondContact O-CA 3.09Å; L49-Y57 PolarHBondContact O-N 3.4Å; L49-L58 HydrophobicContact CD1-CB 3.99Å; L49-L58 HydrophobicContact CD1-CD1 3.67Å; L49-L58 HydrophobicContact CD1-CG 4.48Å; L49-G93 PolarHBondContact N-O 3.05Å; L49-F96 HydrophobicContact CB-CE2 4.15Å; L49-F96 HydrophobicContact CB-CZ 4.05Å; L49-F96 HydrophobicContact CD1-CE2 3.83Å; L49-F96 HydrophobicContact CD1-CZ 4.38Å; L49-F96 HydrophobicContact CG-CE2 4.2Å; L49-Q115 HydrophobicContact CD1-CB 3.74Å; L49-Q115 HydrophobicContact CD2-CB 3.58Å; L49-Q115 HydrophobicContact CD2-CG 4.48Å; L49-Q115 HydrophobicContact CG-CB 4.33Å; L49-L117 HydrophobicContact CD2-CB 4.19Å; L49-L117 HydrophobicContact CD2-CD2 4.3Å
50	L	97.9	Very high	97.6	Very high	77 Å²	77	53.4 Å²	53.4	40%	0.403	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-73.3	111.2	171.3	-178.9	64.1	0	0	0	109	S48 G54	S48-L50 VanDerWaalsContact C-N 3.33Å; S48-L50 PolarHBondContact OG-N 3.45Å; L50-G54 WeakPolarHBondContact CD1-O 3.3Å
51	H	96.3	Very high	97.6	Very high	76 Å²	76	53.5 Å²	53.5	35%	0.352	29%	0.289	S	S	.	.			trans	-87.4	166.6	178.4	-174.3	-106.5	0	0	0	111.6	L49 N53 G54 Y55 Y57 L117	L49-H51 PolarHBondContact O-N 2.86Å; H51-N53 PolarHBondContact ND1-N 2.83Å; H51-N53 PolarHBondContact ND1-ND2 2.82Å; H51-N53 PolarHBondContact ND1-OD1 2.83Å; H51-N53 PolarHBondContact O-N 3.22Å; H51-N53 VanDerWaalsContact O-N 3.11Å; H51-G54 PolarHBondContact O-N 3.18Å; H51-Y55 PolarHBondContact N-O 3.44Å; H51-Y57 HydrophobicContact CB-CD2 3.53Å; H51-Y57 HydrophobicContact CB-CE2 3.29Å; H51-Y57 AromaticContact CG-CE2 3.69Å; H51-Y57 AromaticContact ND1-CE2 3.97Å; H51-L117 HydrophobicContact CB-CD1 4.05Å
52	S	96.6	Very high	97.6	Very high	116 Å²	116	53.2 Å²	53.2	81%	0.811	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.9	-177.7	59.1	0	0	0	0	114.5	G54	S52-G54 PolarHBondContact O-N 2.85Å
53	N	96.4	Very high	97.6	Very high	70 Å²	70	53.2 Å²	53.2	37%	0.374	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	1.4	173.6	62.4	10.7	0	0	0	113.7	H51 Y55 Y57	H51-N53 PolarHBondContact ND1-N 2.83Å; H51-N53 PolarHBondContact ND1-ND2 2.82Å; H51-N53 PolarHBondContact ND1-OD1 2.83Å; H51-N53 PolarHBondContact O-N 3.22Å; H51-N53 VanDerWaalsContact O-N 3.11Å; N53-Y55 VanDerWaalsContact C-N 3.32Å; N53-Y55 HydrophobicContact CB-CD2 4.24Å; N53-Y55 VanDerWaalsContact CG-CD2 3.47Å; N53-Y55 WeakPolarHBondContact OD1-CB 3.32Å; N53-Y55 WeakPolarHBondContact OD1-CD2 3.41Å; N53-Y55 PolarHBondContact OD1-N 2.85Å; N53-Y57 PolarHBondContact ND2-OH 2.91Å
54	G	96.1	Very high	97.5	Very high	51 Å²	51	56 Å²	56	53%	0.526	29%	0.293	S	S	.	.	S	Bend	trans	83.5	1.2	179.6	0	0	0	0	0	114.8	L50 H51 S52	L50-G54 WeakPolarHBondContact CD1-O 3.3Å; H51-G54 PolarHBondContact O-N 3.18Å; S52-G54 PolarHBondContact O-N 2.85Å
55	Y	97	Very high	97.4	Very high	129 Å²	129	53.7 Å²	53.7	51%	0.506	30%	0.297	S	S	.	.			trans	-90.3	145	176.2	-61.8	-54.7	0	0	0	112.2	H51 N53 L75	H51-Y55 PolarHBondContact N-O 3.44Å; N53-Y55 VanDerWaalsContact C-N 3.32Å; N53-Y55 HydrophobicContact CB-CD2 4.24Å; N53-Y55 VanDerWaalsContact CG-CD2 3.47Å; N53-Y55 WeakPolarHBondContact OD1-CB 3.32Å; N53-Y55 WeakPolarHBondContact OD1-CD2 3.41Å; N53-Y55 PolarHBondContact OD1-N 2.85Å; Y55-L75 HydrophobicContact CD1-CD1 4.24Å; Y55-L75 HydrophobicContact CG-CD1 4.32Å
56	N	97.9	Very high	97.4	Very high	21 Å²	21	57.9 Å²	57.9	11%	0.112	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-92.8	111.5	171.6	-76.4	-69.5	0	0	0	109.7	L49 L58 L75 G76 S92 G93 F96	L49-N56 WeakPolarHBondContact O-CA 3.09Å; N56-L58 PolarHBondContact O-N 2.8Å; N56-L75 CarbonylContact O-C 3.59Å; N56-L75 WeakPolarHBondContact O-CA 3.33Å; N56-G76 PolarHBondContact O-N 2.8Å; N56-S92 PolarHBondContact ND2-OG 3.4Å; N56-S92 VanDerWaalsContact ND2-OG 3.07Å; N56-S92 VanDerWaalsContact OD1-CA 3.29Å; N56-S92 WeakPolarHBondContact OD1-CA 3.4Å; N56-S92 PolarHBondContact OD1-OG 3.36Å; N56-G93 PolarHBondContact OD1-N 2.88Å; N56-F96 HydrophobicContact CB-CE1 3.73Å; N56-F96 HydrophobicContact CB-CZ 4.01Å
57	Y	97.6	Very high	97.4	Very high	59 Å²	59	58.9 Å²	58.9	23%	0.231	34%	0.338	C	S	.	.			trans	-80.8	61.1	-178.4	-76.1	-99	0	0	0	111.8	L49 H51 N53 L75 Q115 A116 L117	L49-Y57 PolarHBondContact O-N 3.4Å; H51-Y57 HydrophobicContact CB-CD2 3.53Å; H51-Y57 HydrophobicContact CB-CE2 3.29Å; H51-Y57 AromaticContact CG-CE2 3.69Å; H51-Y57 AromaticContact ND1-CE2 3.97Å; N53-Y57 PolarHBondContact ND2-OH 2.91Å; Y57-L75 HydrophobicContact CD1-CD2 4.46Å; Y57-Q115 WeakPolarHBondContact O-CA 3.49Å; Y57-A116 HydrophobicContact CD1-CB 4.21Å; Y57-A116 WeakPolarHBondContact CD1-O 3.34Å; Y57-A116 PolarHBondContact O-N 3.49Å; Y57-L117 HydrophobicContact CD2-CD1 4.01Å; Y57-L117 HydrophobicContact CG-CD1 4.19Å
58	L	98.4	Very high	97.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.3	173.5	-176.6	101.2	0	0	0	109.9	M24 L49 N56 W60 L75 G76 F96 C113 M114	M24-L58 HydrophobicContact CE-CD1 3.5Å; L49-L58 HydrophobicContact CD1-CB 3.99Å; L49-L58 HydrophobicContact CD1-CD1 3.67Å; L49-L58 HydrophobicContact CD1-CG 4.48Å; N56-L58 PolarHBondContact O-N 2.8Å; L58-W60 VanDerWaalsContact CD2-NE1 3.26Å; L58-L75 PolarHBondContact O-N 2.87Å; L58-G76 PolarHBondContact O-N 3.26Å; L58-F96 HydrophobicContact CB-CD1 4.27Å; L58-F96 HydrophobicContact CB-CD2 4.41Å; L58-F96 HydrophobicContact CB-CE1 4.13Å; L58-F96 HydrophobicContact CB-CE2 4.28Å; L58-F96 HydrophobicContact CB-CG 4.4Å; L58-F96 HydrophobicContact CB-CZ 4.14Å; L58-F96 HydrophobicContact CD1-CB 4.45Å; L58-F96 HydrophobicContact CD1-CD2 3.74Å; L58-F96 HydrophobicContact CD1-CE2 4.12Å; L58-F96 HydrophobicContact CD1-CG 4.08Å; L58-F96 HydrophobicContact CD2-CB 3.49Å; L58-F96 VanDerWaalsContact CD2-CB 3.49Å; L58-F96 HydrophobicContact CD2-CD1 3.66Å; L58-F96 HydrophobicContact CD2-CD2 4.01Å; L58-F96 HydrophobicContact CD2-CE1 4.36Å; L58-F96 HydrophobicContact CD2-CG 3.44Å; L58-F96 VanDerWaalsContact CD2-CG 3.44Å; L58-F96 HydrophobicContact CG-CD1 4.42Å; L58-F96 HydrophobicContact CG-CD2 4.25Å; L58-F96 HydrophobicContact CG-CG 4.16Å; L58-C113 HydrophobicContact CD1-CB 4.13Å; L58-M114 WeakPolarHBondContact CA-O 2.99Å
59	D	98.5	Very high	97.6	Very high	23 Å²	23	59.5 Å²	59.5	12%	0.123	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.9	173.6	-60.6	-26.8	0	0	0	110.2	Y61 L71 I73 Y74 L75 C113 M114	D59-Y61 HydrophobicContact CB-CD2 4.4Å; D59-Y61 HydrophobicContact CB-CE2 3.6Å; D59-L71 HydrophobicContact CB-CD1 3.91Å; D59-I73 CarbonylContact C-O 3.59Å; D59-I73 VanDerWaalsContact CA-O 3.32Å; D59-I73 WeakPolarHBondContact CA-O 3.45Å; D59-Y74 WeakPolarHBondContact OD1-CA 3.49Å; D59-Y74 WeakPolarHBondContact OD1-CB 3.31Å; D59-L75 PolarHBondContact OD1-N 2.84Å; D59-L75 VanDerWaalsContact OD1-N 3.13Å; D59-C113 CarbonylContact O-C 3.43Å; D59-C113 WeakPolarHBondContact O-CA 3.44Å; D59-M114 PolarHBondContact N-O 3.22Å; D59-M114 PolarHBondContact O-N 3.21Å
60	W	98.8	Very high	97.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.4	170.6	-70.9	93.4	0	0	0	109.9	I41 C43 L58 L72 I73 L98 Y112 C113	I41-W60 HydrophobicContact CB-CH2 4.21Å; I41-W60 HydrophobicContact CB-CZ3 4.31Å; I41-W60 HydrophobicContact CG2-CH2 3.9Å; I41-W60 HydrophobicContact CG2-CZ3 3.93Å; C43-W60 HydrophobicContact CB-CH2 3.48Å; C43-W60 VanDerWaalsContact CB-CH2 3.48Å; C43-W60 HydrophobicContact CB-CZ2 3.51Å; C43-W60 HydrophobicContact CB-CZ3 4.46Å; L58-W60 VanDerWaalsContact CD2-NE1 3.26Å; W60-L72 HydrophobicContact CB-CB 4.41Å; W60-L72 WeakPolarHBondContact O-CA 3.35Å; W60-L72 WeakPolarHBondContact O-CB 3.36Å; W60-L72 PolarHBondContact O-N 3.06Å; W60-I73 HydrophobicContact CB-CB 4.02Å; W60-I73 HydrophobicContact CB-CG1 4.39Å; W60-I73 HydrophobicContact CG-CB 4.35Å; W60-I73 PolarHBondContact N-O 3.16Å; W60-I73 PolarHBondContact O-N 2.91Å; W60-L98 HydrophobicContact CB-CD1 4.48Å; W60-L98 HydrophobicContact CD2-CB 3.66Å; W60-L98 HydrophobicContact CD2-CD2 4.12Å; W60-L98 HydrophobicContact CD2-CG 4.32Å; W60-L98 HydrophobicContact CE3-CB 3.89Å; W60-L98 HydrophobicContact CE3-CD2 3.87Å; W60-L98 HydrophobicContact CE3-CG 4.46Å; W60-L98 HydrophobicContact CG-CB 4.23Å; W60-L98 HydrophobicContact CG-CD1 4.24Å; W60-L98 HydrophobicContact CG-CD2 4.44Å; W60-L98 HydrophobicContact CH2-CB 3.91Å; W60-L98 HydrophobicContact CZ2-CB 3.72Å; W60-L98 HydrophobicContact CZ3-CB 4.01Å; W60-L98 HydrophobicContact CZ3-CD2 4.36Å; W60-Y112 CarbonylContact C-O 3.59Å; W60-Y112 VanDerWaalsContact CA-O 3.31Å; W60-Y112 WeakPolarHBondContact CA-O 3.04Å; W60-C113 HydrophobicContact CD2-CB 4.02Å; W60-C113 HydrophobicContact CE3-CB 3.81Å; W60-C113 HydrophobicContact CH2-CB 3.89Å; W60-C113 HydrophobicContact CZ2-CB 4.06Å; W60-C113 HydrophobicContact CZ3-CB 3.76Å
61	Y	98.7	Very high	97.7	Very high	59 Å²	59	64 Å²	64	23%	0.231	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.1	176.2	-64.3	-96.3	0	0	0	110.6	D59 P69 Q70 L71 Y111 Y112 M114	D59-Y61 HydrophobicContact CB-CD2 4.4Å; D59-Y61 HydrophobicContact CB-CE2 3.6Å; Y61-P69 HydrophobicContact CD1-CB 4.41Å; Y61-Q70 CarbonylContact C-O 3.55Å; Y61-Q70 WeakPolarHBondContact CA-O 3.21Å; Y61-L71 HydrophobicContact CD1-CB 4.28Å; Y61-L71 HydrophobicContact CD1-CD1 4.35Å; Y61-L71 HydrophobicContact CE1-CB 3.98Å; Y61-L71 HydrophobicContact CE1-CD1 3.8Å; Y61-L71 HydrophobicContact CE2-CD1 4.25Å; Y61-Y111 CarbonylContact O-C 3.56Å; Y61-Y111 VanDerWaalsContact O-CA 3.31Å; Y61-Y111 WeakPolarHBondContact O-CA 3.44Å; Y61-Y112 PolarHBondContact N-O 3.11Å; Y61-Y112 PolarHBondContact O-N 3.08Å; Y61-M114 HydrophobicContact CD2-CB 4.38Å; Y61-M114 HydrophobicContact CE2-CB 4.08Å; Y61-M114 HydrophobicContact CE2-SD 4.41Å
62	L	98.5	Very high	97.8	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.8	169.4	171.7	55.7	0	0	0	109.2	K64 Q70 Y111	L62-K64 HydrophobicContact CD2-CG 4.39Å; L62-K64 HydrophobicContact CG-CG 4.25Å; L62-Q70 PolarHBondContact N-O 3.18Å; L62-Q70 PolarHBondContact O-N 3.26Å; L62-Y111 HydrophobicContact CB-CD1 4.25Å; L62-Y111 HydrophobicContact CB-CE1 4.05Å; L62-Y111 HydrophobicContact CD1-CD1 4.09Å; L62-Y111 HydrophobicContact CD1-CD2 4.09Å; L62-Y111 HydrophobicContact CD1-CE1 3.73Å; L62-Y111 HydrophobicContact CD1-CE2 3.71Å; L62-Y111 HydrophobicContact CD1-CG 4.28Å; L62-Y111 HydrophobicContact CD2-CE1 4.18Å; L62-Y111 HydrophobicContact CG-CE1 4.19Å
63	Q	98.5	Very high	97.9	Very high	60 Å²	60	55.2 Å²	55.2	28%	0.28	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.5	170.2	-170.7	174.9	14.8	0	0	110.2	Q67 P69 G109 V110 Y112	Q63-Q67 VanDerWaalsContact CG-O 3.26Å; Q63-Q67 WeakPolarHBondContact CG-O 3.46Å; Q63-Q67 PolarHBondContact NE2-O 2.76Å; Q63-P69 HydrophobicContact CB-CB 4.42Å; Q63-P69 HydrophobicContact CB-CG 4.25Å; Q63-P69 HydrophobicContact CG-CG 4.22Å; Q63-G109 CarbonylContact O-C 3.52Å; Q63-G109 VanDerWaalsContact O-CA 3.28Å; Q63-G109 WeakPolarHBondContact O-CA 3.29Å; Q63-V110 PolarHBondContact N-O 3.49Å; Q63-V110 PolarHBondContact O-N 3.27Å; Q63-Y112 HydrophobicContact CB-CE2 3.82Å; Q63-Y112 PolarHBondContact OE1-OH 2.92Å
64	K	97.4	Very high	98	Very high	61 Å²	61	56.2 Å²	56.2	27%	0.265	32%	0.316	S	S	.	.			trans	-79.1	155.3	172.9	-62.8	-170.8	-176.9	-161.3	0	110.6	L62 G66 Q67 E106	L62-K64 HydrophobicContact CD2-CG 4.39Å; L62-K64 HydrophobicContact CG-CG 4.25Å; K64-G66 PolarHBondContact O-N 2.82Å; K64-Q67 HydrophobicContact CB-CB 4.33Å; K64-Q67 HydrophobicContact CB-CG 4.26Å; K64-Q67 PolarHBondContact O-N 2.92Å; K64-E106 VanDerWaalsContact CE-O 3.23Å; K64-E106 WeakPolarHBondContact CE-O 3.21Å; K64-E106 PolarHBondContact NZ-O 3.5Å
65	P	96.8	Very high	98	Very high	101 Å²	101	55.8 Å²	55.8	66%	0.656	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	127.7	177	-27.6	35.4	0	0	0	112.4	Q67	P65-Q67 PolarHBondContact O-N 3.43Å
66	G	97.2	Very high	98.1	Very high	92 Å²	92	49.8 Å²	49.8	95%	0.948	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	5.2	179.4	0	0	0	0	0	115.7	K64	K64-G66 PolarHBondContact O-N 2.82Å
67	Q	97.6	Very high	98.1	Very high	91 Å²	91	51.8 Å²	51.8	43%	0.425	29%	0.294	S	S	.	.	S	Bend	trans	-110.8	160.1	177.7	-58.4	-172.3	11.5	0	0	111.4	Q63 K64 P65	Q63-Q67 VanDerWaalsContact CG-O 3.26Å; Q63-Q67 WeakPolarHBondContact CG-O 3.46Å; Q63-Q67 PolarHBondContact NE2-O 2.76Å; K64-Q67 HydrophobicContact CB-CB 4.33Å; K64-Q67 HydrophobicContact CB-CG 4.26Å; K64-Q67 PolarHBondContact O-N 2.92Å; P65-Q67 PolarHBondContact O-N 3.43Å
68	S	97.8	Very high	98.2	Very high	84 Å²	84	51.9 Å²	51.9	59%	0.587	30%	0.298	S	S	*	.			trans	-73.2	155.7	167.1	58	0	0	0	0	110.8	Q70	S68-Q70 PolarHBondContact O-N 2.98Å
69	P	97.9	Very high	98.2	Very high	65 Å²	65	57.4 Å²	57.4	42%	0.422	32%	0.319	S	S	.	.			trans	-55.6	136.1	171.5	-24	34	0	0	0	111.9	Y61 Q63	Y61-P69 HydrophobicContact CD1-CB 4.41Å; Q63-P69 HydrophobicContact CB-CB 4.42Å; Q63-P69 HydrophobicContact CB-CG 4.25Å; Q63-P69 HydrophobicContact CG-CG 4.22Å
70	Q	98.3	Very high	98.2	Very high	106 Å²	106	57.1 Å²	57.1	50%	0.495	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.3	176	-64.3	-178	20	0	0	110	Y61 L62 S68 L72	Y61-Q70 CarbonylContact C-O 3.55Å; Y61-Q70 WeakPolarHBondContact CA-O 3.21Å; L62-Q70 PolarHBondContact N-O 3.18Å; L62-Q70 PolarHBondContact O-N 3.26Å; S68-Q70 PolarHBondContact O-N 2.98Å; Q70-L72 PolarHBondContact O-N 3.46Å
71	L	98.6	Very high	98.1	Very high	66 Å²	66	63.3 Å²	63.3	35%	0.346	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.9	177.3	-176.6	66.5	0	0	0	109.9	D59 Y61 A80	D59-L71 HydrophobicContact CB-CD1 3.91Å; Y61-L71 HydrophobicContact CD1-CB 4.28Å; Y61-L71 HydrophobicContact CD1-CD1 4.35Å; Y61-L71 HydrophobicContact CE1-CB 3.98Å; Y61-L71 HydrophobicContact CE1-CD1 3.8Å; Y61-L71 HydrophobicContact CE2-CD1 4.25Å; L71-A80 HydrophobicContact CB-CB 4.37Å; L71-A80 HydrophobicContact CD2-CB 4.18Å; L71-A80 HydrophobicContact CG-CB 4.04Å; L71-A80 WeakPolarHBondContact O-CB 3.46Å
72	L	98.6	Very high	98.1	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.042	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-57.1	-177.5	-173.7	73.4	0	0	0	111	W60 Q70 A80 V83 F87 L98 Y111	W60-L72 HydrophobicContact CB-CB 4.41Å; W60-L72 WeakPolarHBondContact O-CA 3.35Å; W60-L72 WeakPolarHBondContact O-CB 3.36Å; W60-L72 PolarHBondContact O-N 3.06Å; Q70-L72 PolarHBondContact O-N 3.46Å; L72-A80 PolarHBondContact O-N 3.27Å; L72-V83 HydrophobicContact CD1-CB 4.39Å; L72-V83 HydrophobicContact CD1-CG1 3.52Å; L72-V83 HydrophobicContact CD1-CG2 3.96Å; L72-V83 HydrophobicContact CG-CG1 4.2Å; L72-V83 WeakPolarHBondContact O-CG2 3.26Å; L72-F87 HydrophobicContact CD1-CD1 3.96Å; L72-F87 HydrophobicContact CD1-CD2 4.31Å; L72-F87 HydrophobicContact CD1-CE1 4.18Å; L72-F87 HydrophobicContact CD1-CG 4.02Å; L72-F87 HydrophobicContact CD1-CZ 4.47Å; L72-F87 HydrophobicContact CD2-CD1 3.72Å; L72-F87 HydrophobicContact CD2-CE1 4.04Å; L72-F87 HydrophobicContact CD2-CG 4.45Å; L72-F87 HydrophobicContact CG-CD1 4.21Å; L72-F87 HydrophobicContact CG-CG 4.48Å; L72-L98 HydrophobicContact CD2-CD1 3.76Å; L72-L98 HydrophobicContact CD2-CD2 3.71Å; L72-L98 HydrophobicContact CD2-CG 4.38Å; L72-Y111 HydrophobicContact CD2-CD1 4.02Å; L72-Y111 HydrophobicContact CD2-CE1 3.77Å
73	I	98.8	Very high	98.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	138.8	176.2	-54.2	-64.5	0	0	0	107.5	D59 W60 N78 R79 L98	D59-I73 CarbonylContact C-O 3.59Å; D59-I73 VanDerWaalsContact CA-O 3.32Å; D59-I73 WeakPolarHBondContact CA-O 3.45Å; W60-I73 HydrophobicContact CB-CB 4.02Å; W60-I73 HydrophobicContact CB-CG1 4.39Å; W60-I73 HydrophobicContact CG-CB 4.35Å; W60-I73 PolarHBondContact N-O 3.16Å; W60-I73 PolarHBondContact O-N 2.91Å; I73-N78 CarbonylContact C-O 3.54Å; I73-N78 WeakPolarHBondContact CA-O 3.24Å; I73-N78 WeakPolarHBondContact CG2-O 3.32Å; I73-R79 HydrophobicContact CD1-CB 4.27Å; I73-R79 HydrophobicContact CD1-CG 3.48Å; I73-R79 VanDerWaalsContact CD1-CG 3.48Å; I73-L98 HydrophobicContact CG1-CD1 3.76Å
74	Y	98.4	Very high	98.1	Very high	91 Å²	91	64.4 Å²	64.4	36%	0.357	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.8	172.9	70.6	-78.7	0	0	0	111.3	D59 G76 S77 N78	D59-Y74 WeakPolarHBondContact OD1-CA 3.49Å; D59-Y74 WeakPolarHBondContact OD1-CB 3.31Å; Y74-G76 PolarHBondContact O-N 3.14Å; Y74-S77 PolarHBondContact O-N 3.03Å; Y74-N78 HydrophobicContact CD1-CB 3.8Å; Y74-N78 WeakPolarHBondContact CD1-O 3.26Å; Y74-N78 HydrophobicContact CD2-CB 4.19Å; Y74-N78 HydrophobicContact CE1-CB 3.41Å; Y74-N78 VanDerWaalsContact CE1-CB 3.41Å; Y74-N78 HydrophobicContact CE2-CB 3.82Å; Y74-N78 HydrophobicContact CG-CB 4.16Å; Y74-N78 VanDerWaalsContact CZ-CB 3.4Å; Y74-N78 PolarHBondContact N-O 3.28Å; Y74-N78 WeakPolarHBondContact O-CB 3.41Å; Y74-N78 PolarHBondContact O-N 3.09Å
75	L	97.8	Very high	98.1	Very high	42 Å²	42	68.1 Å²	68.1	22%	0.22	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	38.3	-176.6	-61.8	177.6	0	0	0	113.9	Y55 N56 Y57 L58 D59 S77	Y55-L75 HydrophobicContact CD1-CD1 4.24Å; Y55-L75 HydrophobicContact CG-CD1 4.32Å; N56-L75 CarbonylContact O-C 3.59Å; N56-L75 WeakPolarHBondContact O-CA 3.33Å; Y57-L75 HydrophobicContact CD1-CD2 4.46Å; L58-L75 PolarHBondContact O-N 2.87Å; D59-L75 PolarHBondContact OD1-N 2.84Å; D59-L75 VanDerWaalsContact OD1-N 3.13Å; L75-S77 PolarHBondContact O-N 3.39Å
76	G	98	Very high	98.2	Very high	2 Å²	2	64.5 Å²	64.5	2%	0.021	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	78	-31.1	177.8	0	0	0	0	0	115.8	N56 L58 Y74 G89 S90	N56-G76 PolarHBondContact O-N 2.8Å; L58-G76 PolarHBondContact O-N 3.26Å; Y74-G76 PolarHBondContact O-N 3.14Å; G76-G89 CarbonylContact O-C 3.05Å; G76-G89 VanDerWaalsContact O-CA 3.3Å; G76-G89 WeakPolarHBondContact O-CA 3.35Å; G76-S90 PolarHBondContact O-N 2.9Å
77	S	98.3	Very high	98.3	Very high	64 Å²	64	60.3 Å²	60.3	45%	0.448	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	-11.5	-172.1	61.3	0	0	0	0	116.8	Y74 L75 G89	Y74-S77 PolarHBondContact O-N 3.03Å; L75-S77 PolarHBondContact O-N 3.39Å; S77-G89 WeakPolarHBondContact CB-O 3.48Å
78	N	98.5	Very high	98.3	Very high	61 Å²	61	57.9 Å²	57.9	33%	0.326	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.2	-175.3	-61.2	-33.9	0	0	0	111.1	I73 Y74	I73-N78 CarbonylContact C-O 3.54Å; I73-N78 WeakPolarHBondContact CA-O 3.24Å; I73-N78 WeakPolarHBondContact CG2-O 3.32Å; Y74-N78 HydrophobicContact CD1-CB 3.8Å; Y74-N78 WeakPolarHBondContact CD1-O 3.26Å; Y74-N78 HydrophobicContact CD2-CB 4.19Å; Y74-N78 HydrophobicContact CE1-CB 3.41Å; Y74-N78 VanDerWaalsContact CE1-CB 3.41Å; Y74-N78 HydrophobicContact CE2-CB 3.82Å; Y74-N78 HydrophobicContact CG-CB 4.16Å; Y74-N78 VanDerWaalsContact CZ-CB 3.4Å; Y74-N78 PolarHBondContact N-O 3.28Å; Y74-N78 WeakPolarHBondContact O-CB 3.41Å; Y74-N78 PolarHBondContact O-N 3.09Å
79	R	98.5	Very high	98.4	Very high	115 Å²	115	54.4 Å²	54.4	43%	0.434	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	135.1	174.7	-78.7	179.3	-66.3	-78.6	-6.2	111.3	I73 V83 P84 F87	I73-R79 HydrophobicContact CD1-CB 4.27Å; I73-R79 HydrophobicContact CD1-CG 3.48Å; I73-R79 VanDerWaalsContact CD1-CG 3.48Å; R79-V83 HydrophobicContact CB-CB 4.24Å; R79-V83 HydrophobicContact CB-CG1 4.35Å; R79-V83 HydrophobicContact CG-CB 4.43Å; R79-V83 HydrophobicContact CG-CG1 4.01Å; R79-P84 WeakPolarHBondContact CD-O 2.99Å; R79-F87 VanDerWaalsContact CD-O 3.32Å; R79-F87 WeakPolarHBondContact CD-O 3.49Å; R79-F87 PolarHBondContact NH1-O 3.13Å; R79-F87 VanDerWaalsContact NH1-O 3.16Å
80	A	98.6	Very high	98.4	Very high	17 Å²	17	54.1 Å²	54.1	14%	0.14	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.8	159.7	167.9	0	0	0	0	0	111.3	L71 L72 G82 V83	L71-A80 HydrophobicContact CB-CB 4.37Å; L71-A80 HydrophobicContact CD2-CB 4.18Å; L71-A80 HydrophobicContact CG-CB 4.04Å; L71-A80 WeakPolarHBondContact O-CB 3.46Å; L72-A80 PolarHBondContact O-N 3.27Å; A80-G82 PolarHBondContact O-N 2.64Å; A80-V83 HydrophobicContact CB-CG2 3.96Å; A80-V83 WeakPolarHBondContact O-CB 3.5Å; A80-V83 WeakPolarHBondContact O-CG2 3.45Å; A80-V83 PolarHBondContact O-N 3.29Å
81	S	98.2	Very high	98.4	Very high	131 Å²	131	51.1 Å²	51.1	92%	0.916	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	132.4	179	-61.2	0	0	0	0	111.8	V83	S81-V83 VanDerWaalsContact C-N 3.28Å; S81-V83 PolarHBondContact O-N 2.8Å
82	G	97.9	Very high	98.4	Very high	84 Å²	84	50.9 Å²	50.9	87%	0.866	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-3.5	179.9	0	0	0	0	0	115.1	A80 P84	A80-G82 PolarHBondContact O-N 2.64Å; G82-P84 WeakPolarHBondContact O-CD 3.38Å
83	V	98.4	Very high	98.3	Very high	26 Å²	26	51.1 Å²	51.1	16%	0.158	33%	0.325	C	S	.	.			trans	-75.9	125.8	175.8	174.3	0	0	0	0	110.3	L72 R79 A80 S81 F87	L72-V83 HydrophobicContact CD1-CB 4.39Å; L72-V83 HydrophobicContact CD1-CG1 3.52Å; L72-V83 HydrophobicContact CD1-CG2 3.96Å; L72-V83 HydrophobicContact CG-CG1 4.2Å; L72-V83 WeakPolarHBondContact O-CG2 3.26Å; R79-V83 HydrophobicContact CB-CB 4.24Å; R79-V83 HydrophobicContact CB-CG1 4.35Å; R79-V83 HydrophobicContact CG-CB 4.43Å; R79-V83 HydrophobicContact CG-CG1 4.01Å; A80-V83 HydrophobicContact CB-CG2 3.96Å; A80-V83 WeakPolarHBondContact O-CB 3.5Å; A80-V83 WeakPolarHBondContact O-CG2 3.45Å; A80-V83 PolarHBondContact O-N 3.29Å; S81-V83 VanDerWaalsContact C-N 3.28Å; S81-V83 PolarHBondContact O-N 2.8Å; V83-F87 HydrophobicContact CG1-CB 3.78Å; V83-F87 HydrophobicContact CG1-CD2 3.97Å; V83-F87 HydrophobicContact CG1-CG 4.07Å
84	P	98.3	Very high	98.3	Very high	45 Å²	45	53.5 Å²	53.5	29%	0.292	34%	0.34	S	S	.	.			trans	-57	149	178.8	-28.5	37.1	0	0	0	113.7	R79 G82 R86 F87	R79-P84 WeakPolarHBondContact CD-O 2.99Å; G82-P84 WeakPolarHBondContact O-CD 3.38Å; P84-R86 HydrophobicContact CB-CG 3.71Å; P84-R86 PolarHBondContact O-N 3.02Å; P84-F87 HydrophobicContact CB-CD2 4.07Å; P84-F87 HydrophobicContact CB-CE2 4.35Å; P84-F87 HydrophobicContact CG-CD2 4.34Å; P84-F87 HydrophobicContact CG-CE2 4.27Å; P84-F87 PolarHBondContact O-N 3.2Å
85	D	98.2	Very high	98.3	Very high	140 Å²	140	52.3 Å²	52.3	75%	0.749	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.8	180	66.6	-16.4	0	0	0	113.8	F87	D85-F87 PolarHBondContact O-N 3.38Å
86	R	98.3	Very high	98.4	Very high	25 Å²	25	50.4 Å²	50.4	9%	0.094	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.4	169.5	59.2	165.9	-173.2	-86.2	3.3	113.3	P84 I100 S101 R102 E104 E106 D107	P84-R86 HydrophobicContact CB-CG 3.71Å; P84-R86 PolarHBondContact O-N 3.02Å; R86-I100 HydrophobicContact CG-CG2 4.48Å; R86-I100 CarbonylContact O-C 3.51Å; R86-I100 WeakPolarHBondContact O-CA 3.06Å; R86-S101 WeakPolarHBondContact CA-OG 3.47Å; R86-S101 WeakPolarHBondContact CB-OG 3.37Å; R86-S101 PolarHBondContact O-N 3.25Å; R86-S101 PolarHBondContact O-OG 3.18Å; R86-R102 WeakPolarHBondContact CD-O 3.14Å; R86-E104 VanDerWaalsContact CZ-CD 3.5Å; R86-E104 IonicContact CZ-OE1 3.96Å; R86-E104 IonicContact CZ-OE2 3.8Å; R86-E104 IonicContact NE-OE2 3.87Å; R86-E104 IonicContact NH1-OE1 3.23Å; R86-E104 PolarHBondContact NH1-OE1 3Å; R86-E104 IonicContact NH1-OE2 2.82Å; R86-E104 PolarHBondContact NH1-OE2 3.38Å; R86-E104 IonicContact NH2-OE2 3.24Å; R86-E104 PolarHBondContact NH2-OE2 2.79Å; R86-E106 IonicContact CZ-OE1 3.89Å; R86-E106 IonicContact NH1-OE1 2.83Å; R86-E106 IonicContact NH2-OE1 3.19Å; R86-E106 PolarHBondContact NH2-OE1 3.43Å; R86-D107 IonicContact CZ-OD1 3.76Å; R86-D107 IonicContact CZ-OD2 3.73Å; R86-D107 IonicContact NE-OD1 3.27Å; R86-D107 PolarHBondContact NE-OD1 3.31Å; R86-D107 IonicContact NE-OD2 2.83Å; R86-D107 PolarHBondContact NE-OD2 2.97Å; R86-D107 IonicContact NH2-OD1 2.76Å; R86-D107 PolarHBondContact NH2-OD1 2.79Å; R86-D107 IonicContact NH2-OD2 3.11Å
87	F	98.8	Very high	98.4	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.013	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	136.9	174.8	-66.7	-87.2	0	0	0	112.1	L72 R79 V83 P84 D85 K99 I100 D107 Y111	L72-F87 HydrophobicContact CD1-CD1 3.96Å; L72-F87 HydrophobicContact CD1-CD2 4.31Å; L72-F87 HydrophobicContact CD1-CE1 4.18Å; L72-F87 HydrophobicContact CD1-CG 4.02Å; L72-F87 HydrophobicContact CD1-CZ 4.47Å; L72-F87 HydrophobicContact CD2-CD1 3.72Å; L72-F87 HydrophobicContact CD2-CE1 4.04Å; L72-F87 HydrophobicContact CD2-CG 4.45Å; L72-F87 HydrophobicContact CG-CD1 4.21Å; L72-F87 HydrophobicContact CG-CG 4.48Å; R79-F87 VanDerWaalsContact CD-O 3.32Å; R79-F87 WeakPolarHBondContact CD-O 3.49Å; R79-F87 PolarHBondContact NH1-O 3.13Å; R79-F87 VanDerWaalsContact NH1-O 3.16Å; V83-F87 HydrophobicContact CG1-CB 3.78Å; V83-F87 HydrophobicContact CG1-CD2 3.97Å; V83-F87 HydrophobicContact CG1-CG 4.07Å; P84-F87 HydrophobicContact CB-CD2 4.07Å; P84-F87 HydrophobicContact CB-CE2 4.35Å; P84-F87 HydrophobicContact CG-CD2 4.34Å; P84-F87 HydrophobicContact CG-CE2 4.27Å; P84-F87 PolarHBondContact O-N 3.2Å; D85-F87 PolarHBondContact O-N 3.38Å; F87-K99 CarbonylContact C-O 3.54Å; F87-K99 WeakPolarHBondContact CA-O 3.46Å; F87-I100 HydrophobicContact CD1-CD1 4.25Å; F87-I100 HydrophobicContact CD1-CG1 3.78Å; F87-I100 HydrophobicContact CD1-CG2 4.47Å; F87-I100 HydrophobicContact CE1-CB 4.47Å; F87-I100 HydrophobicContact CE1-CD1 3.55Å; F87-I100 HydrophobicContact CE1-CG1 3.58Å; F87-I100 HydrophobicContact CE1-CG2 4.18Å; F87-I100 HydrophobicContact CZ-CD1 4.27Å; F87-I100 HydrophobicContact CZ-CG1 4.49Å; F87-I100 HydrophobicContact CZ-CG2 4.35Å; F87-D107 HydrophobicContact CZ-CB 4.47Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.37Å; F87-Y111 HydrophobicContact CE1-CE1 4.03Å
88	S	98.8	Very high	98.4	Very high	41 Å²	41	49.3 Å²	49.3	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	140	174.9	53.9	0	0	0	0	111.2	K99	S88-K99 PolarHBondContact N-O 2.89Å; S88-K99 PolarHBondContact O-N 2.91Å; S88-K99 PolarHBondContact OG-O 2.87Å
89	G	98.7	Very high	98.5	Very high	10 Å²	10	50.9 Å²	50.9	10%	0.103	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	149.4	167.3	0	0	0	0	0	110.7	G76 S77 T97	G76-G89 CarbonylContact O-C 3.05Å; G76-G89 VanDerWaalsContact O-CA 3.3Å; G76-G89 WeakPolarHBondContact O-CA 3.35Å; S77-G89 WeakPolarHBondContact CB-O 3.48Å; G89-T97 CarbonylContact C-O 3.58Å; G89-T97 WeakPolarHBondContact CA-O 3.24Å
90	S	98.5	Very high	98.5	Very high	60 Å²	60	45.8 Å²	45.8	42%	0.42	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	164.3	177.9	59.4	0	0	0	0	110.6	G76 F96 T97	G76-S90 PolarHBondContact O-N 2.9Å; S90-F96 CarbonylContact O-C 3.51Å; S90-F96 VanDerWaalsContact O-CA 3.26Å; S90-F96 WeakPolarHBondContact O-CA 3.46Å; S90-T97 PolarHBondContact N-O 3.27Å; S90-T97 PolarHBondContact O-N 3.07Å; S90-T97 PolarHBondContact OG-O 2.76Å
91	G	98.2	Very high	98.5	Very high	42 Å²	42	48.1 Å²	48.1	43%	0.433	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	111.6	173.7	-179.9	0	0	0	0	0	113.5	D95	G91-D95 CarbonylContact C-O 3.53Å; G91-D95 WeakPolarHBondContact CA-O 3.17Å
92	S	98.1	Very high	98.5	Very high	62 Å²	62	49.3 Å²	49.3	43%	0.434	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	154.6	-178.8	-167.1	0	0	0	0	110.6	N56 T94 D95	N56-S92 PolarHBondContact ND2-OG 3.4Å; N56-S92 VanDerWaalsContact ND2-OG 3.07Å; N56-S92 VanDerWaalsContact OD1-CA 3.29Å; N56-S92 WeakPolarHBondContact OD1-CA 3.4Å; N56-S92 PolarHBondContact OD1-OG 3.36Å; S92-T94 PolarHBondContact O-N 2.96Å; S92-D95 PolarHBondContact N-O 3.03Å; S92-D95 VanDerWaalsContact N-O 3.14Å
93	G	97.7	Very high	98.5	Very high	12 Å²	12	45.9 Å²	45.9	12%	0.124	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	-102.2	178.9	0	0	0	0	0	111.2	L49 N56 F96	L49-G93 PolarHBondContact N-O 3.05Å; N56-G93 PolarHBondContact OD1-N 2.88Å; G93-F96 VanDerWaalsContact O-CE2 3.24Å; G93-F96 WeakPolarHBondContact O-CE2 3.3Å; G93-F96 WeakPolarHBondContact O-CZ 3.33Å
94	T	98.4	Very high	98.5	Very high	50 Å²	50	47.9 Å²	47.9	31%	0.307	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-18.5	-174.3	50	0	0	0	0	114.4	R44 S45 S92	R44-T94 CarbonylContact C-O 3.58Å; R44-T94 VanDerWaalsContact CA-O 3.24Å; R44-T94 WeakPolarHBondContact CA-O 3.36Å; S45-T94 PolarHBondContact N-O 2.78Å; S92-T94 PolarHBondContact O-N 2.96Å
95	D	98.7	Very high	98.4	Very high	66 Å²	66	49.6 Å²	49.6	35%	0.353	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.7	-169.5	-65.5	-97.6	0	0	0	110.7	R44 G91 S92	R44-D95 IonicContact CZ-OD1 3.53Å; R44-D95 VanDerWaalsContact CZ-OD1 3.27Å; R44-D95 IonicContact NE-OD1 3.41Å; R44-D95 PolarHBondContact NE-OD1 2.76Å; R44-D95 IonicContact NH2-OD1 2.8Å; R44-D95 PolarHBondContact NH2-OD1 2.78Å; G91-D95 CarbonylContact C-O 3.53Å; G91-D95 WeakPolarHBondContact CA-O 3.17Å; S92-D95 PolarHBondContact N-O 3.03Å; S92-D95 VanDerWaalsContact N-O 3.14Å
96	F	98.8	Very high	98.3	Very high	3 Å²	3	47.7 Å²	47.7	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.6	-175	-60.4	-85	0	0	0	111.3	S42 C43 L49 N56 L58 S90 G93	S42-F96 WeakPolarHBondContact CA-O 3.31Å; C43-F96 HydrophobicContact CB-CB 4.37Å; C43-F96 PolarHBondContact N-O 3.16Å; C43-F96 PolarHBondContact O-N 2.95Å; L49-F96 HydrophobicContact CB-CE2 4.15Å; L49-F96 HydrophobicContact CB-CZ 4.05Å; L49-F96 HydrophobicContact CD1-CE2 3.83Å; L49-F96 HydrophobicContact CD1-CZ 4.38Å; L49-F96 HydrophobicContact CG-CE2 4.2Å; N56-F96 HydrophobicContact CB-CE1 3.73Å; N56-F96 HydrophobicContact CB-CZ 4.01Å; L58-F96 HydrophobicContact CB-CD1 4.27Å; L58-F96 HydrophobicContact CB-CD2 4.41Å; L58-F96 HydrophobicContact CB-CE1 4.13Å; L58-F96 HydrophobicContact CB-CE2 4.28Å; L58-F96 HydrophobicContact CB-CG 4.4Å; L58-F96 HydrophobicContact CB-CZ 4.14Å; L58-F96 HydrophobicContact CD1-CB 4.45Å; L58-F96 HydrophobicContact CD1-CD2 3.74Å; L58-F96 HydrophobicContact CD1-CE2 4.12Å; L58-F96 HydrophobicContact CD1-CG 4.08Å; L58-F96 HydrophobicContact CD2-CB 3.49Å; L58-F96 VanDerWaalsContact CD2-CB 3.49Å; L58-F96 HydrophobicContact CD2-CD1 3.66Å; L58-F96 HydrophobicContact CD2-CD2 4.01Å; L58-F96 HydrophobicContact CD2-CE1 4.36Å; L58-F96 HydrophobicContact CD2-CG 3.44Å; L58-F96 VanDerWaalsContact CD2-CG 3.44Å; L58-F96 HydrophobicContact CG-CD1 4.42Å; L58-F96 HydrophobicContact CG-CD2 4.25Å; L58-F96 HydrophobicContact CG-CG 4.16Å; S90-F96 CarbonylContact O-C 3.51Å; S90-F96 VanDerWaalsContact O-CA 3.26Å; S90-F96 WeakPolarHBondContact O-CA 3.46Å; G93-F96 VanDerWaalsContact O-CE2 3.24Å; G93-F96 WeakPolarHBondContact O-CE2 3.3Å; G93-F96 WeakPolarHBondContact O-CZ 3.33Å
97	T	98.8	Very high	98.3	Very high	40 Å²	40	47 Å²	47	25%	0.245	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126.2	177.2	-64	0	0	0	0	110.3	I41 G89 S90	I41-T97 CarbonylContact O-C 3.53Å; I41-T97 WeakPolarHBondContact O-CA 3.23Å; G89-T97 CarbonylContact C-O 3.58Å; G89-T97 WeakPolarHBondContact CA-O 3.24Å; S90-T97 PolarHBondContact N-O 3.27Å; S90-T97 PolarHBondContact O-N 3.07Å; S90-T97 PolarHBondContact OG-O 2.76Å
98	L	98.9	Very high	98.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.9	162	179.4	67.4	0	0	0	108.4	S40 I41 W60 L72 I73 Y111	S40-L98 CarbonylContact C-O 3.59Å; S40-L98 VanDerWaalsContact CA-O 3.25Å; S40-L98 WeakPolarHBondContact CA-O 3.28Å; I41-L98 PolarHBondContact N-O 3.28Å; I41-L98 PolarHBondContact O-N 2.83Å; W60-L98 HydrophobicContact CB-CD1 4.48Å; W60-L98 HydrophobicContact CD2-CB 3.66Å; W60-L98 HydrophobicContact CD2-CD2 4.12Å; W60-L98 HydrophobicContact CD2-CG 4.32Å; W60-L98 HydrophobicContact CE3-CB 3.89Å; W60-L98 HydrophobicContact CE3-CD2 3.87Å; W60-L98 HydrophobicContact CE3-CG 4.46Å; W60-L98 HydrophobicContact CG-CB 4.23Å; W60-L98 HydrophobicContact CG-CD1 4.24Å; W60-L98 HydrophobicContact CG-CD2 4.44Å; W60-L98 HydrophobicContact CH2-CB 3.91Å; W60-L98 HydrophobicContact CZ2-CB 3.72Å; W60-L98 HydrophobicContact CZ3-CB 4.01Å; W60-L98 HydrophobicContact CZ3-CD2 4.36Å; L72-L98 HydrophobicContact CD2-CD1 3.76Å; L72-L98 HydrophobicContact CD2-CD2 3.71Å; L72-L98 HydrophobicContact CD2-CG 4.38Å; I73-L98 HydrophobicContact CG1-CD1 3.76Å; L98-Y111 HydrophobicContact CD2-CD1 3.4Å; L98-Y111 HydrophobicContact CD2-CE1 3.85Å; L98-Y111 HydrophobicContact CD2-CG 4.2Å
99	K	98.7	Very high	98.2	Very high	94 Å²	94	51.1 Å²	51.1	41%	0.409	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.7	176.7	179.9	178.3	-178.4	179.3	0	110.5	A39 F87 S88	A39-K99 CarbonylContact O-C 3.56Å; A39-K99 WeakPolarHBondContact O-CA 3.31Å; F87-K99 CarbonylContact C-O 3.54Å; F87-K99 WeakPolarHBondContact CA-O 3.46Å; S88-K99 PolarHBondContact N-O 2.89Å; S88-K99 PolarHBondContact O-N 2.91Å; S88-K99 PolarHBondContact OG-O 2.87Å
100	I	98.7	Very high	98.1	Very high	9 Å²	9	54.2 Å²	54.2	5%	0.046	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.1	168.9	-43.8	179	0	0	0	106.2	P38 A39 R86 F87 V103 Y111	P38-I100 CarbonylContact C-O 3.56Å; P38-I100 WeakPolarHBondContact CA-O 3.32Å; A39-I100 HydrophobicContact CB-CB 4.42Å; A39-I100 PolarHBondContact N-O 3.42Å; A39-I100 PolarHBondContact O-N 3.41Å; R86-I100 HydrophobicContact CG-CG2 4.48Å; R86-I100 CarbonylContact O-C 3.51Å; R86-I100 WeakPolarHBondContact O-CA 3.06Å; F87-I100 HydrophobicContact CD1-CD1 4.25Å; F87-I100 HydrophobicContact CD1-CG1 3.78Å; F87-I100 HydrophobicContact CD1-CG2 4.47Å; F87-I100 HydrophobicContact CE1-CB 4.47Å; F87-I100 HydrophobicContact CE1-CD1 3.55Å; F87-I100 HydrophobicContact CE1-CG1 3.58Å; F87-I100 HydrophobicContact CE1-CG2 4.18Å; F87-I100 HydrophobicContact CZ-CD1 4.27Å; F87-I100 HydrophobicContact CZ-CG1 4.49Å; F87-I100 HydrophobicContact CZ-CG2 4.35Å; I100-V103 HydrophobicContact CB-CG2 4.01Å; I100-V103 HydrophobicContact CD1-CG2 4.33Å; I100-V103 HydrophobicContact CG2-CG2 3.92Å; I100-Y111 HydrophobicContact CD1-CE1 4.45Å
101	S	98.6	Very high	98.1	Very high	66 Å²	66	52.5 Å²	52.5	46%	0.462	31%	0.308	S	S	.	.	S	Bend	trans	-73.6	-28.8	-175.1	63.1	0	0	0	0	113.3	R86	R86-S101 WeakPolarHBondContact CA-OG 3.47Å; R86-S101 WeakPolarHBondContact CB-OG 3.37Å; R86-S101 PolarHBondContact O-N 3.25Å; R86-S101 PolarHBondContact O-OG 3.18Å
102	R	98.5	Very high	98.1	Very high	155 Å²	155	54.9 Å²	54.9	59%	0.585	31%	0.305	S	S	*	.	S	Bend	trans	-146.9	105.7	177.1	-177.6	-168.2	-58.3	-90.6	-4	108.3	R86	R86-R102 WeakPolarHBondContact CD-O 3.14Å
103	V	98.6	Very high	98.1	Very high	12 Å²	12	52.3 Å²	52.3	7%	0.073	29%	0.287	C	S	.	.			trans	-71.8	137.5	-179.5	174.5	0	0	0	0	111	V33 P35 G36 E37 A39 I100 D107	V33-V103 HydrophobicContact CG1-CB 4.23Å; V33-V103 HydrophobicContact CG1-CG1 3.77Å; V33-V103 HydrophobicContact CG1-CG2 4.02Å; V33-V103 HydrophobicContact CG2-CB 4.37Å; V33-V103 HydrophobicContact CG2-CG2 4.05Å; P35-V103 CarbonylContact C-O 3.54Å; P35-V103 WeakPolarHBondContact CA-O 3.36Å; G36-V103 PolarHBondContact N-O 2.88Å; E37-V103 WeakPolarHBondContact O-CB 3.43Å; E37-V103 WeakPolarHBondContact O-CG2 3.32Å; E37-V103 PolarHBondContact O-N 2.8Å; A39-V103 HydrophobicContact CB-CG2 3.61Å; I100-V103 HydrophobicContact CB-CG2 4.01Å; I100-V103 HydrophobicContact CD1-CG2 4.33Å; I100-V103 HydrophobicContact CG2-CG2 3.92Å; V103-D107 HydrophobicContact CG1-CB 4.23Å
104	E	98.3	Very high	98.1	Very high	68 Å²	68	56.9 Å²	56.9	32%	0.318	31%	0.306	S	S	.	.			trans	-116	162.5	174.5	-70.8	172.4	-166.6	0	0	111.2	R86 E106 D107	R86-E104 VanDerWaalsContact CZ-CD 3.5Å; R86-E104 IonicContact CZ-OE1 3.96Å; R86-E104 IonicContact CZ-OE2 3.8Å; R86-E104 IonicContact NE-OE2 3.87Å; R86-E104 IonicContact NH1-OE1 3.23Å; R86-E104 PolarHBondContact NH1-OE1 3Å; R86-E104 IonicContact NH1-OE2 2.82Å; R86-E104 PolarHBondContact NH1-OE2 3.38Å; R86-E104 IonicContact NH2-OE2 3.24Å; R86-E104 PolarHBondContact NH2-OE2 2.79Å; E104-E106 HydrophobicContact CB-CG 4Å; E104-E106 PolarHBondContact O-N 3.23Å; E104-E106 VanDerWaalsContact OE2-CD 3.29Å; E104-E106 VanDerWaalsContact OE2-OE1 3.04Å; E104-D107 PolarHBondContact N-OD2 3.18Å; E104-D107 WeakPolarHBondContact O-CB 3.15Å; E104-D107 PolarHBondContact O-N 3.11Å
105	A	96.3	Very high	98	Very high	81 Å²	81	55.7 Å²	55.7	67%	0.669	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-60.8	-29	-177.4	0	0	0	0	0	113	D107 V108	A105-D107 VanDerWaalsContact C-N 3.25Å; A105-D107 PolarHBondContact O-N 3.29Å; A105-V108 WeakPolarHBondContact O-CG2 3.34Å
106	E	96.2	Very high	97.8	Very high	101 Å²	101	54.8 Å²	54.8	47%	0.472	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-74.4	-8.8	176.9	66.2	-148.1	-133.3	0	0	115.1	K64 R86 E104	K64-E106 VanDerWaalsContact CE-O 3.23Å; K64-E106 WeakPolarHBondContact CE-O 3.21Å; K64-E106 PolarHBondContact NZ-O 3.5Å; R86-E106 IonicContact CZ-OE1 3.89Å; R86-E106 IonicContact NH1-OE1 2.83Å; R86-E106 IonicContact NH2-OE1 3.19Å; R86-E106 PolarHBondContact NH2-OE1 3.43Å; E104-E106 HydrophobicContact CB-CG 4Å; E104-E106 PolarHBondContact O-N 3.23Å; E104-E106 VanDerWaalsContact OE2-CD 3.29Å; E104-E106 VanDerWaalsContact OE2-OE1 3.04Å
107	D	97.7	Very high	97.6	Very high	9 Å²	9	57.2 Å²	57.2	5%	0.048	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-84.1	-0.4	179.5	-60.4	-25.6	0	0	0	111.8	R86 F87 V103 E104 A105 G109 Y111	R86-D107 IonicContact CZ-OD1 3.76Å; R86-D107 IonicContact CZ-OD2 3.73Å; R86-D107 IonicContact NE-OD1 3.27Å; R86-D107 PolarHBondContact NE-OD1 3.31Å; R86-D107 IonicContact NE-OD2 2.83Å; R86-D107 PolarHBondContact NE-OD2 2.97Å; R86-D107 IonicContact NH2-OD1 2.76Å; R86-D107 PolarHBondContact NH2-OD1 2.79Å; R86-D107 IonicContact NH2-OD2 3.11Å; F87-D107 HydrophobicContact CZ-CB 4.47Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.37Å; V103-D107 HydrophobicContact CG1-CB 4.23Å; E104-D107 PolarHBondContact N-OD2 3.18Å; E104-D107 WeakPolarHBondContact O-CB 3.15Å; E104-D107 PolarHBondContact O-N 3.11Å; A105-D107 VanDerWaalsContact C-N 3.25Å; A105-D107 PolarHBondContact O-N 3.29Å; D107-G109 PolarHBondContact O-N 3.46Å; D107-Y111 PolarHBondContact O-OH 2.91Å
108	V	97.3	Very high	96.9	Very high	102 Å²	102	59 Å²	59	62%	0.618	32%	0.318	S	S	*	.			trans	-64.5	118	173.7	175.7	0	0	0	0	110.1	A105	A105-V108 WeakPolarHBondContact O-CG2 3.34Å
109	G	97.6	Very high	95.9	Very high	30 Å²	30	65.1 Å²	65.1	31%	0.309	36%	0.355	S	S	.	.	S	Bend	trans	177.1	-175.5	177.8	0	0	0	0	0	112	Q63 D107	Q63-G109 CarbonylContact O-C 3.52Å; Q63-G109 VanDerWaalsContact O-CA 3.28Å; Q63-G109 WeakPolarHBondContact O-CA 3.29Å; D107-G109 PolarHBondContact O-N 3.46Å
110	V	98.2	Very high	94.1	Very high	74 Å²	74	68.7 Å²	68.7	45%	0.448	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.4	173	-169.3	0	0	0	0	108.7	Q63 Y112	Q63-V110 PolarHBondContact N-O 3.49Å; Q63-V110 PolarHBondContact O-N 3.27Å; V110-Y112 HydrophobicContact CB-CE2 3.91Å; V110-Y112 HydrophobicContact CG1-CD1 4.45Å; V110-Y112 HydrophobicContact CG1-CD2 4.48Å; V110-Y112 HydrophobicContact CG1-CE1 3.73Å; V110-Y112 HydrophobicContact CG1-CE2 3.75Å; V110-Y112 VanDerWaalsContact CG1-OH 3.31Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.41Å
111	Y	98.6	Very high	93.8	Very high	25 Å²	25	71.7 Å²	71.7	10%	0.098	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.1	178.8	-68.8	-96.2	0	0	0	110.1	Q26 I41 Y61 L62 L72 F87 L98 I100 D107	Q26-Y111 PolarHBondContact NE2-O 2.94Å; I41-Y111 HydrophobicContact CD1-CD2 3.89Å; I41-Y111 HydrophobicContact CD1-CG 3.78Å; Y61-Y111 CarbonylContact O-C 3.56Å; Y61-Y111 VanDerWaalsContact O-CA 3.31Å; Y61-Y111 WeakPolarHBondContact O-CA 3.44Å; L62-Y111 HydrophobicContact CB-CD1 4.25Å; L62-Y111 HydrophobicContact CB-CE1 4.05Å; L62-Y111 HydrophobicContact CD1-CD1 4.09Å; L62-Y111 HydrophobicContact CD1-CD2 4.09Å; L62-Y111 HydrophobicContact CD1-CE1 3.73Å; L62-Y111 HydrophobicContact CD1-CE2 3.71Å; L62-Y111 HydrophobicContact CD1-CG 4.28Å; L62-Y111 HydrophobicContact CD2-CE1 4.18Å; L62-Y111 HydrophobicContact CG-CE1 4.19Å; L72-Y111 HydrophobicContact CD2-CD1 4.02Å; L72-Y111 HydrophobicContact CD2-CE1 3.77Å; F87-Y111 HydrophobicContact CE1-CE1 4.03Å; L98-Y111 HydrophobicContact CD2-CD1 3.4Å; L98-Y111 HydrophobicContact CD2-CE1 3.85Å; L98-Y111 HydrophobicContact CD2-CG 4.2Å; I100-Y111 HydrophobicContact CD1-CE1 4.45Å; D107-Y111 PolarHBondContact O-OH 2.91Å
112	Y	98	Very high	93.6	Very high	91 Å²	91	71.9 Å²	71.9	36%	0.357	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.9	179.6	-55.8	-80.7	0	0	0	109.8	W60 Y61 Q63 V110	W60-Y112 CarbonylContact C-O 3.59Å; W60-Y112 VanDerWaalsContact CA-O 3.31Å; W60-Y112 WeakPolarHBondContact CA-O 3.04Å; Y61-Y112 PolarHBondContact N-O 3.11Å; Y61-Y112 PolarHBondContact O-N 3.08Å; Q63-Y112 HydrophobicContact CB-CE2 3.82Å; Q63-Y112 PolarHBondContact OE1-OH 2.92Å; V110-Y112 HydrophobicContact CB-CE2 3.91Å; V110-Y112 HydrophobicContact CG1-CD1 4.45Å; V110-Y112 HydrophobicContact CG1-CD2 4.48Å; V110-Y112 HydrophobicContact CG1-CE1 3.73Å; V110-Y112 HydrophobicContact CG1-CE2 3.75Å; V110-Y112 VanDerWaalsContact CG1-OH 3.31Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.41Å
113	C	98.2	Very high	93.3	Very high	9 Å²	9	67.3 Å²	67.3	6%	0.061	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.8	161.5	68	0	0	0	0	109.4	Q26 C43 L58 D59 W60	Q26-C113 HydrophobicContact CG-CB 4.49Å; Q26-C113 WeakPolarHBondContact CG-SG 3.45Å; Q26-C113 PolarHBondContact OE1-SG 3.06Å; Q26-C113 VanDerWaalsContact OE1-SG 3.41Å; C43-C113 HydrophobicContact CB-CB 3.53Å; C43-C113 WeakPolarHBondContact CB-SG 3.46Å; C43-C113 WeakPolarHBondContact SG-CB 3.44Å; C43-C113 CovalentContact SG-SG 2.02Å; C43-C113 PolarHBondContact SG-SG 3.46Å; L58-C113 HydrophobicContact CD1-CB 4.13Å; D59-C113 CarbonylContact O-C 3.43Å; D59-C113 WeakPolarHBondContact O-CA 3.44Å; W60-C113 HydrophobicContact CD2-CB 4.02Å; W60-C113 HydrophobicContact CE3-CB 3.81Å; W60-C113 HydrophobicContact CH2-CB 3.89Å; W60-C113 HydrophobicContact CZ2-CB 4.06Å; W60-C113 HydrophobicContact CZ3-CB 3.76Å
114	M	97	Very high	93	Very high	107 Å²	107	70.6 Å²	70.6	53%	0.527	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.6	-179.2	-179.1	174.6	170.5	0	0	109	L58 D59 Y61	L58-M114 WeakPolarHBondContact CA-O 2.99Å; D59-M114 PolarHBondContact N-O 3.22Å; D59-M114 PolarHBondContact O-N 3.21Å; Y61-M114 HydrophobicContact CD2-CB 4.38Å; Y61-M114 HydrophobicContact CE2-CB 4.08Å; Y61-M114 HydrophobicContact CE2-SD 4.41Å
115	Q	96.8	Very high	92.7	Very high	26 Å²	26	70.8 Å²	70.8	12%	0.121	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	139.7	169.3	68.2	83.5	25.1	0	0	110	I22 M24 L49 Y57 Q118	I22-Q115 HydrophobicContact CB-CG 3.94Å; I22-Q115 HydrophobicContact CD1-CG 4.42Å; I22-Q115 HydrophobicContact CG2-CB 4.41Å; I22-Q115 HydrophobicContact CG2-CG 3.96Å; M24-Q115 HydrophobicContact CE-CB 4.3Å; M24-Q115 HydrophobicContact CG-CG 4.45Å; M24-Q115 HydrophobicContact SD-CB 3.85Å; M24-Q115 HydrophobicContact SD-CG 4.09Å; L49-Q115 HydrophobicContact CD1-CB 3.74Å; L49-Q115 HydrophobicContact CD2-CB 3.58Å; L49-Q115 HydrophobicContact CD2-CG 4.48Å; L49-Q115 HydrophobicContact CG-CB 4.33Å; Y57-Q115 WeakPolarHBondContact O-CA 3.49Å; Q115-Q118 PolarHBondContact NE2-O 2.93Å
116	A	94.8	Very high	92.4	Very high	47 Å²	47	70.1 Å²	70.1	39%	0.388	40%	0.399	S	S	.	.			trans	-114.4	16.9	177	0	0	0	0	0	112.1	Y57	Y57-A116 HydrophobicContact CD1-CB 4.21Å; Y57-A116 WeakPolarHBondContact CD1-O 3.34Å; Y57-A116 PolarHBondContact O-N 3.49Å
117	L	92.8	Very high	92.2	Very high	54 Å²	54	67.9 Å²	67.9	28%	0.283	39%	0.394	S	S	.	.	S	Bend	trans	-85	-44	-174.4	-174.5	68	0	0	0	112.1	I22 S48 L49 H51 Y57	I22-L117 HydrophobicContact CD1-CB 4.35Å; I22-L117 HydrophobicContact CD1-CD2 4.11Å; S48-L117 WeakPolarHBondContact O-CD2 3.49Å; L49-L117 HydrophobicContact CD2-CB 4.19Å; L49-L117 HydrophobicContact CD2-CD2 4.3Å; H51-L117 HydrophobicContact CB-CD1 4.05Å; Y57-L117 HydrophobicContact CD2-CD1 4.01Å; Y57-L117 HydrophobicContact CG-CD1 4.19Å
118	Q	85.2	Confident	91.7	Very high	78 Å²	78	72.4 Å²	72.4	36%	0.364	42%	0.42	S	S	.	.			trans	-121.7	134.4	-176.5	-68.8	-174.9	-31.6	0	0	110	I22 Q115	I22-Q118 HydrophobicContact CD1-CB 4.21Å; I22-Q118 HydrophobicContact CD1-CG 3.93Å; Q115-Q118 PolarHBondContact NE2-O 2.93Å
119	T	77.5	Confident	91.3	Very high	129 Å²	129	69.9 Å²	69.9	79%	0.791	40%	0.404	S	S	*	.			trans	-81.2	144.8	163.2	54.7	0	0	0	0	108.7
120	P	60.7	Low	90.7	Very high	169 Å²	169	73.5 Å²	73.5	100%	1.097	41%	0.412	S	S	*	.			trans	-54.5	0	169.4	-20.3	31.4	0	0	0	112.8

Retrieved 120 of 120 residues in 66.6 ms (Link to these results)

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