KVD29_HUMAN Loading...

Immunoglobulin kappa variable 2D-29

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 A0A075B6S2, Species HUMAN (Homo sapiens, Human), Gene IGKV2D-29, Length 120 aa.

						>KVD29_HUMAN|A0A075B6S2|IGKV2D-29
MRLPAQLLGLLMLWIPGSSADIVMTQTPLSLSVTPGQPASISCKSSQSLLHSDGKTYLYWYLQKPGQPPQLLIYEVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCMQSIQLP
					

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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	41.2	Very low	55.1	Low	240 Å²	240	144.2 Å²	144.2	100%	1.182	76%	0.763	S	S	*	*				0	105.6	0	-71.7	155.1	117	0	0	108
2	R	51.5	Low	55.4	Low	248 Å²	248	144.1 Å²	144.1	94%	0.936	76%	0.758	S	S	*	*			trans	-90.8	109	174.5	-70.4	-174.9	177.6	-178.4	-0.3	106.6
3	L	55.7	Low	55.9	Low	163 Å²	163	144.8 Å²	144.8	85%	0.853	76%	0.761	S	S	*	*			trans	-62.5	124.5	171.6	-81.2	111.7	0	0	0	108.1	A5	L3-A5 PolarHBondContact O-N 3.11Å
4	P	54.3	Low	56.3	Low	87 Å²	87	150.3 Å²	150.3	57%	0.565	77%	0.767	S	S	*	*			trans	-72.4	127.5	-175.1	26.8	-29.2	0	0	0	109.4	Q6 L7	P4-Q6 PolarHBondContact O-N 3.25Å; P4-L7 PolarHBondContact O-N 3.4Å
5	A	62.1	Low	56.9	Low	92 Å²	92	149.5 Å²	149.5	76%	0.76	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-8.5	177	0	0	0	0	0	114.8	L3 L7 L8	L3-A5 PolarHBondContact O-N 3.11Å; A5-L7 VanDerWaalsContact C-N 3.31Å; A5-L7 PolarHBondContact O-N 2.99Å; A5-L8 PolarHBondContact O-N 3.24Å
6	Q	59.2	Low	57.1	Low	166 Å²	166	147.4 Å²	147.4	78%	0.776	76%	0.763	S	S	*	*	H	α-helix	trans	-67.3	-27.3	178	-59.5	-158.2	-85.1	0	0	113.5	P4 L8 G9	P4-Q6 PolarHBondContact O-N 3.25Å; Q6-L8 VanDerWaalsContact C-N 3.26Å; Q6-L8 PolarHBondContact O-N 3.05Å; Q6-G9 PolarHBondContact O-N 2.84Å
7	L	55.1	Low	57.3	Low	141 Å²	141	142.6 Å²	142.6	74%	0.738	76%	0.757	S	S	*	*	H	α-helix	trans	-67.6	-30.1	177.5	-132.7	84.3	0	0	0	112	P4 A5 L10	P4-L7 PolarHBondContact O-N 3.4Å; A5-L7 VanDerWaalsContact C-N 3.31Å; A5-L7 PolarHBondContact O-N 2.99Å; L7-L10 PolarHBondContact O-N 2.83Å
8	L	55.2	Low	57.7	Low	131 Å²	131	141 Å²	141	69%	0.686	76%	0.759	S	S	*	*	H	α-helix	trans	-69.4	-34.8	177.7	-126.1	84.2	0	0	0	111.9	A5 Q6 L10 L11	A5-L8 PolarHBondContact O-N 3.24Å; Q6-L8 VanDerWaalsContact C-N 3.26Å; Q6-L8 PolarHBondContact O-N 3.05Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 3.43Å; L8-L11 PolarHBondContact O-N 3.45Å
9	G	57.7	Low	58.1	Low	45 Å²	45	139.3 Å²	139.3	46%	0.464	76%	0.759	S	S	.	*	H	α-helix	trans	-67.1	-29.7	178.3	0	0	0	0	0	113.4	Q6	Q6-G9 PolarHBondContact O-N 2.84Å
10	L	56.7	Low	58.7	Low	132 Å²	132	135.6 Å²	135.6	69%	0.691	75%	0.748	S	S	*	*	H	α-helix	trans	-75.6	-28.2	177.2	-132.7	84.5	0	0	0	112.7	L7 L8	L7-L10 PolarHBondContact O-N 2.83Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 3.43Å
11	L	57.4	Low	60	Low	141 Å²	141	133.3 Å²	133.3	74%	0.738	74%	0.735	S	S	*	*	H	α-helix	trans	-75.2	-27.5	-176.9	-151	79.7	0	0	0	112.8	L8	L8-L11 PolarHBondContact O-N 3.45Å
12	M	58.8	Low	62.5	Low	143 Å²	143	122.3 Å²	122.3	70%	0.704	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-12.4	-178.8	-70.9	-68.5	176.7	0	0	114.3
13	L	61.5	Low	64.5	Low	153 Å²	153	114.7 Å²	114.7	80%	0.801	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	-3.7	180	-102.6	96.1	0	0	0	114.6	I15	L13-I15 PolarHBondContact O-N 3.23Å
14	W	61.7	Low	66.5	Low	222 Å²	222	109.2 Å²	109.2	84%	0.841	63%	0.632	S	S	*	*			trans	-100.4	58.2	172.1	-71.2	77.4	0	0	0	110	P16	W14-P16 VanDerWaalsContact O-CD 3.29Å; W14-P16 WeakPolarHBondContact O-CD 3.39Å
15	I	65	Low	68.6	Low	139 Å²	139	108.7 Å²	108.7	71%	0.713	63%	0.628	S	S	*	*			trans	-83.4	111.7	160.8	-56.3	177.3	0	0	0	105	L13 G17	L13-I15 PolarHBondContact O-N 3.23Å; I15-G17 PolarHBondContact O-N 3.03Å; I15-G17 VanDerWaalsContact O-N 3.1Å
16	P	60.7	Low	70.3	Confident	116 Å²	116	106.8 Å²	106.8	75%	0.753	60%	0.603	S	S	*	*			trans	-53.9	122.7	172.6	-20.2	32.4	0	0	0	107.4	W14 S18	W14-P16 VanDerWaalsContact O-CD 3.29Å; W14-P16 WeakPolarHBondContact O-CD 3.39Å; P16-S18 PolarHBondContact O-N 3.47Å; P16-S18 VanDerWaalsContact O-N 3.14Å
17	G	60.9	Low	72.2	Confident	65 Å²	65	103.3 Å²	103.3	67%	0.67	59%	0.593	S	S	*	*			trans	-49.9	125.7	178.8	0	0	0	0	0	109	I15 S19	I15-G17 PolarHBondContact O-N 3.03Å; I15-G17 VanDerWaalsContact O-N 3.1Å; G17-S19 PolarHBondContact O-N 3.42Å
18	S	63.6	Low	74.2	Confident	114 Å²	114	99 Å²	99	80%	0.797	57%	0.574	S	S	*	*			trans	-61.7	104.2	170.5	54.3	0	0	0	0	106.8	P16 A20	P16-S18 PolarHBondContact O-N 3.47Å; P16-S18 VanDerWaalsContact O-N 3.14Å; S18-A20 VanDerWaalsContact C-N 3.3Å; S18-A20 PolarHBondContact O-N 2.86Å
19	S	65.1	Low	76.2	Confident	108 Å²	108	101.1 Å²	101.1	76%	0.755	59%	0.585	S	S	*	*			trans	-61.6	98.9	168.8	-62.6	0	0	0	0	106.8	G17 D21	G17-S19 PolarHBondContact O-N 3.42Å; S19-D21 PolarHBondContact O-N 3.35Å
20	A	71.5	Confident	78.1	Confident	65 Å²	65	103.9 Å²	103.9	54%	0.537	60%	0.597	S	S	.	*			trans	-64.3	135.6	175.7	0	0	0	0	0	108.4	S18 Q118	S18-A20 VanDerWaalsContact C-N 3.3Å; S18-A20 PolarHBondContact O-N 2.86Å; A20-Q118 PolarHBondContact O-NE2 3.06Å; A20-Q118 PolarHBondContact O-OE1 3.22Å
21	D	85.9	Confident	80	Confident	88 Å²	88	101.8 Å²	101.8	47%	0.471	59%	0.586	S	S	.	*			trans	-61.3	150.4	173.9	-164.9	10.1	0	0	0	110.9	S19 V23	S19-D21 PolarHBondContact O-N 3.35Å; D21-V23 PolarHBondContact O-N 2.8Å
22	I	92.6	Very high	82	Confident	10 Å²	10	100.8 Å²	100.8	5%	0.051	59%	0.591	C	S	.	*			trans	-78.1	111	175.1	-59.9	178.5	0	0	0	108.1	M24 Q47 L49 Q115 I117 Q118	I22-M24 HydrophobicContact CG2-SD 3.95Å; I22-Q47 HydrophobicContact CG1-CB 4.41Å; I22-L49 HydrophobicContact CD1-CD2 4.08Å; I22-L49 HydrophobicContact CG2-CD2 4.01Å; I22-Q115 HydrophobicContact CB-CG 4.08Å; I22-Q115 HydrophobicContact CG2-CG 3.92Å; I22-I117 HydrophobicContact CD1-CB 4.07Å; I22-I117 HydrophobicContact CD1-CG2 4.14Å; I22-Q118 HydrophobicContact CD1-CB 3.83Å; I22-Q118 HydrophobicContact CG1-CB 4.02Å
23	V	94.5	Very high	83.8	Confident	88 Å²	88	96.2 Å²	96.2	53%	0.533	57%	0.571	S	S	.	*			trans	-84.4	128.1	180	-178	0	0	0	0	109.3	D21 T25 S45 S46	D21-V23 PolarHBondContact O-N 2.8Å; V23-T25 HydrophobicContact CG1-CG2 4.36Å; V23-S45 CarbonylContact O-C 3.57Å; V23-S45 WeakPolarHBondContact O-CA 3.2Å; V23-S46 PolarHBondContact N-OG 3.21Å; V23-S46 PolarHBondContact O-N 3.29Å
24	M	96.7	Very high	85.5	Confident	47 Å²	47	93.7 Å²	93.7	23%	0.232	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105	133.8	175.7	-54.2	-56.6	-61.7	0	0	110	I22 C43 S45 L49 L58 Q115	I22-M24 HydrophobicContact CG2-SD 3.95Å; M24-C43 WeakPolarHBondContact CE-SG 3.17Å; M24-S45 VanDerWaalsContact SD-CB 3.55Å; M24-L49 HydrophobicContact CE-CD1 4.17Å; M24-L58 HydrophobicContact CE-CD1 3.84Å; M24-Q115 HydrophobicContact CG-CG 4.25Å; M24-Q115 HydrophobicContact SD-CB 3.99Å; M24-Q115 HydrophobicContact SD-CG 3.69Å
25	T	98.1	Very high	87.2	Confident	76 Å²	76	87.6 Å²	87.6	47%	0.466	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.3	138.9	179.3	54	0	0	0	0	110.4	V23 C43 K44	V23-T25 HydrophobicContact CG1-CG2 4.36Å; T25-C43 CarbonylContact O-C 3.56Å; T25-C43 VanDerWaalsContact O-CA 3.3Å; T25-C43 WeakPolarHBondContact O-CA 3.23Å; T25-K44 PolarHBondContact N-O 2.87Å; T25-K44 PolarHBondContact O-N 2.92Å; T25-K44 PolarHBondContact OG1-O 3.46Å; T25-K44 VanDerWaalsContact OG1-O 3.05Å
26	Q	98.6	Very high	88.8	Confident	53 Å²	53	82.7 Å²	82.7	25%	0.248	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.5	-176.6	-55.8	-168.4	133.5	0	0	111.9	S42 Y111 C113	Q26-S42 CarbonylContact C-O 3.59Å; Q26-S42 VanDerWaalsContact CA-O 3.26Å; Q26-S42 WeakPolarHBondContact CA-O 3.3Å; Q26-Y111 PolarHBondContact NE2-O 2.84Å; Q26-C113 PolarHBondContact OE1-SG 2.84Å; Q26-C113 VanDerWaalsContact OE1-SG 3.34Å
27	T	98.6	Very high	90.6	Very high	92 Å²	92	82.5 Å²	82.5	56%	0.564	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.2	138.8	175.4	-62.6	0	0	0	0	110.8	S42	T27-S42 PolarHBondContact N-O 2.94Å; T27-S42 PolarHBondContact O-N 2.87Å
28	P	98.4	Very high	92.4	Very high	52 Å²	52	82.9 Å²	82.9	34%	0.338	52%	0.515	S	S	.	.			cis	-75	163	-8	34.7	-37.3	0	0	0	112.2	S30 L31	P28-S30 VanDerWaalsContact C-N 3.32Å; P28-L31 HydrophobicContact CG-CB 3.94Å; P28-L31 HydrophobicContact CG-CD1 4.16Å; P28-L31 HydrophobicContact CG-CG 4.44Å
29	L	96.8	Very high	94.1	Very high	175 Å²	175	77.9 Å²	77.9	92%	0.916	48%	0.481	S	S	*	.	S	Bend	trans	-71.1	-27.5	176.3	-69.8	174.5	0	0	0	113.1
30	S	97.7	Very high	95.7	Very high	103 Å²	103	75.4 Å²	75.4	72%	0.72	46%	0.463	S	S	*	.	S	Bend	trans	-145.3	142.7	174.6	-174.1	0	0	0	0	108.6	P28	P28-S30 VanDerWaalsContact C-N 3.32Å
31	L	96.8	Very high	97	Very high	87 Å²	87	73.5 Å²	73.5	46%	0.455	44%	0.444	S	S	.	.			trans	-140.4	124.3	-178.3	-176.2	64.9	0	0	0	109.2	P28 V33 A39	P28-L31 HydrophobicContact CG-CB 3.94Å; P28-L31 HydrophobicContact CG-CD1 4.16Å; P28-L31 HydrophobicContact CG-CG 4.44Å; L31-V33 HydrophobicContact CD1-CG2 4.15Å; L31-V33 HydrophobicContact CD2-CG2 3.56Å; L31-V33 HydrophobicContact CG-CG2 3.46Å; L31-V33 VanDerWaalsContact CG-CG2 3.46Å; L31-A39 HydrophobicContact CD2-CB 3.9Å
32	S	97.6	Very high	97.6	Very high	120 Å²	120	72.3 Å²	72.3	84%	0.839	44%	0.442	S	S	*	.			trans	-102.7	123	169.4	-58.4	0	0	0	0	108.9
33	V	97	Very high	97.9	Very high	47 Å²	47	71.9 Å²	71.9	29%	0.285	44%	0.44	S	S	.	.			trans	-128.8	136.6	-176.5	-171	0	0	0	0	109.6	L31 Q37 A39 V103	L31-V33 HydrophobicContact CD1-CG2 4.15Å; L31-V33 HydrophobicContact CD2-CG2 3.56Å; L31-V33 HydrophobicContact CG-CG2 3.46Å; L31-V33 VanDerWaalsContact CG-CG2 3.46Å; V33-Q37 HydrophobicContact CG1-CB 3.81Å; V33-A39 HydrophobicContact CG1-CB 4.49Å; V33-A39 HydrophobicContact CG2-CB 3.93Å; V33-V103 HydrophobicContact CB-CG2 4.31Å; V33-V103 HydrophobicContact CG1-CB 4.26Å; V33-V103 HydrophobicContact CG1-CG2 3.95Å
34	T	97.7	Very high	98.1	Very high	101 Å²	101	72.8 Å²	72.8	62%	0.62	44%	0.437	S	S	*	.			trans	-70	133.5	171.9	-53.7	0	0	0	0	109.8	G36 Q37	T34-G36 PolarHBondContact O-N 2.92Å; T34-Q37 VanDerWaalsContact O-CB 3.3Å; T34-Q37 WeakPolarHBondContact O-CB 3.3Å; T34-Q37 PolarHBondContact O-N 2.87Å
35	P	97.8	Very high	98.1	Very high	93 Å²	93	70.8 Å²	70.8	60%	0.604	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	139.8	174.1	-28.7	35.6	0	0	0	112.4	Q37 V103	P35-Q37 VanDerWaalsContact C-N 3.28Å; P35-Q37 PolarHBondContact O-N 2.95Å; P35-V103 CarbonylContact C-O 3.6Å; P35-V103 WeakPolarHBondContact CA-O 3.33Å
36	G	98.3	Very high	98	Very high	37 Å²	37	70.4 Å²	70.4	38%	0.381	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-18.9	-175.4	0	0	0	0	0	115	T34 V103	T34-G36 PolarHBondContact O-N 2.92Å; G36-V103 PolarHBondContact N-O 3.47Å
37	Q	98.6	Very high	97.8	Very high	111 Å²	111	72 Å²	72	52%	0.519	44%	0.436	S	S	.	.	S	Bend	trans	-82.4	155.2	175.4	-65.8	-59.9	-52.4	0	0	111.8	V33 T34 P35 V103	V33-Q37 HydrophobicContact CG1-CB 3.81Å; T34-Q37 VanDerWaalsContact O-CB 3.3Å; T34-Q37 WeakPolarHBondContact O-CB 3.3Å; T34-Q37 PolarHBondContact O-N 2.87Å; P35-Q37 VanDerWaalsContact C-N 3.28Å; P35-Q37 PolarHBondContact O-N 2.95Å; Q37-V103 WeakPolarHBondContact O-CG2 3.23Å; Q37-V103 PolarHBondContact O-N 3.05Å
38	P	98.6	Very high	97.7	Very high	73 Å²	73	70.7 Å²	70.7	47%	0.474	43%	0.43	S	S	.	.			trans	-74.2	152.3	172.9	31.1	-34.8	0	0	0	111.6	I100	P38-I100 CarbonylContact C-O 3.55Å; P38-I100 WeakPolarHBondContact CA-O 3.41Å
39	A	98.5	Very high	97.6	Very high	10 Å²	10	68.2 Å²	68.2	8%	0.083	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	152.6	171.5	0	0	0	0	0	110.4	L31 V33 K99 I100 V103	L31-A39 HydrophobicContact CD2-CB 3.9Å; V33-A39 HydrophobicContact CG1-CB 4.49Å; V33-A39 HydrophobicContact CG2-CB 3.93Å; A39-K99 WeakPolarHBondContact O-CA 3.35Å; A39-I100 HydrophobicContact CB-CB 4.31Å; A39-I100 HydrophobicContact CB-CD1 4.49Å; A39-I100 PolarHBondContact N-O 2.84Å; A39-I100 PolarHBondContact O-N 2.83Å; A39-V103 HydrophobicContact CB-CG2 3.57Å
40	S	98.7	Very high	97.6	Very high	56 Å²	56	64.6 Å²	64.6	39%	0.392	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.9	172.4	-61.9	0	0	0	0	111.4	L98	S40-L98 CarbonylContact C-O 3.52Å; S40-L98 WeakPolarHBondContact CA-O 3.34Å
41	I	98.7	Very high	97.5	Very high	24 Å²	24	63.4 Å²	63.4	12%	0.123	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	123.1	176.8	-56.5	170.6	0	0	0	106.7	W60 T97 L98 Y111	I41-W60 HydrophobicContact CB-CH2 4.17Å; I41-W60 HydrophobicContact CB-CZ3 4.31Å; I41-W60 HydrophobicContact CG2-CH2 3.87Å; I41-W60 HydrophobicContact CG2-CZ3 3.94Å; I41-T97 CarbonylContact O-C 3.53Å; I41-T97 VanDerWaalsContact O-CA 3.32Å; I41-T97 WeakPolarHBondContact O-CA 3.29Å; I41-L98 HydrophobicContact CB-CB 4.5Å; I41-L98 HydrophobicContact CD1-CD2 4.49Å; I41-L98 PolarHBondContact N-O 3.34Å; I41-L98 PolarHBondContact O-N 3.22Å; I41-Y111 HydrophobicContact CD1-CD1 4.5Å; I41-Y111 HydrophobicContact CD1-CD2 3.88Å; I41-Y111 HydrophobicContact CD1-CG 3.75Å
42	S	98.8	Very high	97.4	Very high	63 Å²	63	64.8 Å²	64.8	44%	0.441	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	141.8	174	-61.9	0	0	0	0	110	Q26 T27 F96	Q26-S42 CarbonylContact C-O 3.59Å; Q26-S42 VanDerWaalsContact CA-O 3.26Å; Q26-S42 WeakPolarHBondContact CA-O 3.3Å; T27-S42 PolarHBondContact N-O 2.94Å; T27-S42 PolarHBondContact O-N 2.87Å; S42-F96 CarbonylContact C-O 3.56Å; S42-F96 WeakPolarHBondContact CA-O 3.31Å
43	C	98.7	Very high	97.3	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.014	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.7	172.3	173.2	0	0	0	0	109.2	M24 T25 W60 F96 C113	M24-C43 WeakPolarHBondContact CE-SG 3.17Å; T25-C43 CarbonylContact O-C 3.56Å; T25-C43 VanDerWaalsContact O-CA 3.3Å; T25-C43 WeakPolarHBondContact O-CA 3.23Å; C43-W60 HydrophobicContact CB-CH2 3.49Å; C43-W60 VanDerWaalsContact CB-CH2 3.49Å; C43-W60 HydrophobicContact CB-CZ2 3.55Å; C43-W60 HydrophobicContact CB-CZ3 4.47Å; C43-F96 HydrophobicContact CB-CB 4.33Å; C43-F96 PolarHBondContact N-O 3.17Å; C43-F96 PolarHBondContact O-N 3.12Å; C43-C113 HydrophobicContact CB-CB 3.52Å; C43-C113 WeakPolarHBondContact CB-SG 3.28Å; C43-C113 WeakPolarHBondContact SG-CB 3.2Å; C43-C113 CovalentContact SG-SG 2.02Å; C43-C113 PolarHBondContact SG-SG 2.96Å
44	K	98.5	Very high	97.2	Very high	107 Å²	107	63.4 Å²	63.4	47%	0.465	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.9	178.6	-175	172	-169.6	164.5	0	111.1	T25 T94 D95	T25-K44 PolarHBondContact N-O 2.87Å; T25-K44 PolarHBondContact O-N 2.92Å; T25-K44 PolarHBondContact OG1-O 3.46Å; T25-K44 VanDerWaalsContact OG1-O 3.05Å; K44-T94 CarbonylContact C-O 3.53Å; K44-T94 VanDerWaalsContact CA-O 3.22Å; K44-T94 WeakPolarHBondContact CA-O 3.31Å; K44-D95 IonicContact NZ-OD1 2.81Å
45	S	97.5	Very high	97.2	Very high	4 Å²	4	62.7 Å²	62.7	3%	0.028	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	151.6	172.9	59.4	0	0	0	0	111.2	V23 M24 Q47 T94	V23-S45 CarbonylContact O-C 3.57Å; V23-S45 WeakPolarHBondContact O-CA 3.2Å; M24-S45 VanDerWaalsContact SD-CB 3.55Å; S45-Q47 WeakPolarHBondContact CB-O 3.4Å; S45-Q47 PolarHBondContact O-N 2.79Å; S45-Q47 PolarHBondContact OG-O 2.74Å; S45-T94 PolarHBondContact N-O 3.49Å; S45-T94 WeakPolarHBondContact OG-CA 3.37Å
46	S	96.3	Very high	97.2	Very high	69 Å²	69	59.6 Å²	59.6	48%	0.483	36%	0.357	S	S	.	.	S	Bend	trans	-72.4	-17.3	175.9	61.8	0	0	0	0	113.8	V23	V23-S46 PolarHBondContact N-OG 3.21Å; V23-S46 PolarHBondContact O-N 3.29Å
47	Q	95.1	Very high	97.1	Very high	87 Å²	87	60 Å²	60	41%	0.407	35%	0.348	S	S	.	.	S	Bend	trans	-141.1	160.9	-177.9	-58.9	-175.3	59.1	0	0	110	I22 S45 L49	I22-Q47 HydrophobicContact CG1-CB 4.41Å; S45-Q47 WeakPolarHBondContact CB-O 3.4Å; S45-Q47 PolarHBondContact O-N 2.79Å; S45-Q47 PolarHBondContact OG-O 2.74Å; Q47-L49 PolarHBondContact O-N 2.82Å
48	S	95.7	Very high	97.1	Very high	64 Å²	64	54.7 Å²	54.7	45%	0.448	32%	0.323	S	S	.	.			trans	-59.9	132.7	174.7	-177.9	0	0	0	0	110.6	L50 G93	S48-L50 VanDerWaalsContact C-N 3.3Å; S48-L50 WeakPolarHBondContact OG-CB 3.07Å; S48-L50 PolarHBondContact OG-N 2.8Å; S48-G93 WeakPolarHBondContact CA-O 3.22Å
49	L	96.4	Very high	97.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.308	C	S	.	.			trans	-91.6	10.4	174.8	-57.9	-173	0	0	0	113.4	I22 M24 Q47 H51 T56 Y57 L58 G93 F96 Q115 I117	I22-L49 HydrophobicContact CD1-CD2 4.08Å; I22-L49 HydrophobicContact CG2-CD2 4.01Å; M24-L49 HydrophobicContact CE-CD1 4.17Å; Q47-L49 PolarHBondContact O-N 2.82Å; L49-H51 PolarHBondContact O-N 3.23Å; L49-T56 HydrophobicContact CB-CG2 3.78Å; L49-T56 WeakPolarHBondContact O-CA 3.4Å; L49-Y57 PolarHBondContact O-N 2.9Å; L49-L58 HydrophobicContact CD1-CB 4.12Å; L49-L58 HydrophobicContact CD1-CD1 3.71Å; L49-G93 PolarHBondContact N-O 3.1Å; L49-G93 VanDerWaalsContact N-O 3.1Å; L49-F96 HydrophobicContact CB-CE2 4.45Å; L49-F96 HydrophobicContact CB-CZ 4.1Å; L49-F96 HydrophobicContact CD1-CD2 4.44Å; L49-F96 HydrophobicContact CD1-CE2 3.63Å; L49-F96 HydrophobicContact CD1-CZ 3.94Å; L49-F96 HydrophobicContact CG-CE2 4.02Å; L49-F96 HydrophobicContact CG-CZ 4.18Å; L49-Q115 HydrophobicContact CD1-CB 3.68Å; L49-Q115 HydrophobicContact CD2-CB 3.58Å; L49-Q115 HydrophobicContact CD2-CG 4Å; L49-Q115 HydrophobicContact CG-CB 4.27Å; L49-I117 HydrophobicContact CB-CG1 4.25Å; L49-I117 HydrophobicContact CD2-CG1 4.16Å; L49-I117 WeakPolarHBondContact O-CD1 3.34Å
50	L	96.5	Very high	97.1	Very high	99 Å²	99	52.6 Å²	52.6	52%	0.518	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-74	115.8	174.5	-178.3	64.6	0	0	0	109.9	S48 G54	S48-L50 VanDerWaalsContact C-N 3.3Å; S48-L50 WeakPolarHBondContact OG-CB 3.07Å; S48-L50 PolarHBondContact OG-N 2.8Å; L50-G54 WeakPolarHBondContact CD1-O 3.26Å
51	H	94.9	Very high	97.1	Very high	78 Å²	78	52.8 Å²	52.8	36%	0.361	30%	0.296	S	S	.	.			trans	-84	166.1	175.5	-168.8	47.9	0	0	0	111.9	L49 D53 G54 K55 Y57 I117	L49-H51 PolarHBondContact O-N 3.23Å; H51-D53 WeakPolarHBondContact CB-OD1 3.3Å; H51-D53 IonicContact CD2-OD1 3.39Å; H51-D53 PolarHBondContact CD2-OD1 3.42Å; H51-D53 IonicContact CG-OD1 3.29Å; H51-D53 PolarHBondContact O-N 2.9Å; H51-G54 PolarHBondContact O-N 3.24Å; H51-K55 PolarHBondContact N-O 2.94Å; H51-Y57 HydrophobicContact CB-CD2 3.65Å; H51-Y57 HydrophobicContact CB-CE2 3.55Å; H51-Y57 AromaticContact CD2-CE2 3.71Å; H51-Y57 AromaticContact CG-CE2 3.84Å; H51-I117 HydrophobicContact CB-CD1 3.69Å
52	S	94.9	Very high	97.1	Very high	116 Å²	116	52.2 Å²	52.2	81%	0.811	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-20.2	-178.1	47.9	0	0	0	0	114.3	G54	S52-G54 PolarHBondContact O-N 2.8Å
53	D	96	Very high	97.1	Very high	80 Å²	80	52.1 Å²	52.1	43%	0.428	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	2.3	174.2	72.7	-16	0	0	0	113.3	H51 K55 Y57	H51-D53 WeakPolarHBondContact CB-OD1 3.3Å; H51-D53 IonicContact CD2-OD1 3.39Å; H51-D53 PolarHBondContact CD2-OD1 3.42Å; H51-D53 IonicContact CG-OD1 3.29Å; H51-D53 PolarHBondContact O-N 2.9Å; D53-K55 VanDerWaalsContact C-N 3.3Å; D53-K55 VanDerWaalsContact OD1-CB 3.3Å; D53-K55 WeakPolarHBondContact OD1-CB 3.24Å; D53-K55 PolarHBondContact OD1-N 2.85Å; D53-K55 WeakPolarHBondContact OD2-CD 3.33Å; D53-Y57 PolarHBondContact OD2-OH 3.47Å
54	G	95.9	Very high	97	Very high	57 Å²	57	54.8 Å²	54.8	59%	0.588	30%	0.298	S	S	*	.	S	Bend	trans	82.7	1.2	-178.3	0	0	0	0	0	114.2	L50 H51 S52	L50-G54 WeakPolarHBondContact CD1-O 3.26Å; H51-G54 PolarHBondContact O-N 3.24Å; S52-G54 PolarHBondContact O-N 2.8Å
55	K	96.7	Very high	96.9	Very high	87 Å²	87	54.7 Å²	54.7	38%	0.378	31%	0.308	S	S	.	.			trans	-90.8	153	176.8	-63.6	-172.9	169.8	-163.7	0	111.9	H51 D53 Y57 E75	H51-K55 PolarHBondContact N-O 2.94Å; D53-K55 VanDerWaalsContact C-N 3.3Å; D53-K55 VanDerWaalsContact OD1-CB 3.3Å; D53-K55 WeakPolarHBondContact OD1-CB 3.24Å; D53-K55 PolarHBondContact OD1-N 2.85Å; D53-K55 WeakPolarHBondContact OD2-CD 3.33Å; K55-Y57 HydrophobicContact CB-CD2 4.34Å; K55-Y57 HydrophobicContact CB-CE2 3.82Å; K55-E75 WeakPolarHBondContact CD-OE1 3.32Å; K55-E75 IonicContact NZ-OE1 3.75Å; K55-E75 PolarHBondContact NZ-OE1 3.26Å; K55-E75 IonicContact NZ-OE2 3.55Å
56	T	98	Very high	96.9	Very high	27 Å²	27	59 Å²	59	17%	0.166	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-109.5	117.7	173.2	-60.6	0	0	0	0	109.8	L49 L58 E75 V76 F96	L49-T56 HydrophobicContact CB-CG2 3.78Å; L49-T56 WeakPolarHBondContact O-CA 3.4Å; T56-L58 PolarHBondContact O-N 2.92Å; T56-E75 WeakPolarHBondContact O-CA 3.32Å; T56-V76 HydrophobicContact CG2-CG2 3.45Å; T56-V76 VanDerWaalsContact CG2-CG2 3.45Å; T56-F96 HydrophobicContact CG2-CE1 3.7Å; T56-F96 HydrophobicContact CG2-CZ 3.73Å
57	Y	96.1	Very high	97	Very high	46 Å²	46	59.8 Å²	59.8	18%	0.18	35%	0.349	C	S	.	.			trans	-95.8	67.7	-172.5	-71	-84.8	0	0	0	112.1	L49 H51 D53 K55 Y59 Q115 S116 I117	L49-Y57 PolarHBondContact O-N 2.9Å; H51-Y57 HydrophobicContact CB-CD2 3.65Å; H51-Y57 HydrophobicContact CB-CE2 3.55Å; H51-Y57 AromaticContact CD2-CE2 3.71Å; H51-Y57 AromaticContact CG-CE2 3.84Å; D53-Y57 PolarHBondContact OD2-OH 3.47Å; K55-Y57 HydrophobicContact CB-CD2 4.34Å; K55-Y57 HydrophobicContact CB-CE2 3.82Å; Y57-Y59 HydrophobicContact CD1-CE2 4.37Å; Y57-Y59 WeakPolarHBondContact CD1-OH 3.46Å; Y57-Q115 VanDerWaalsContact O-CA 3.31Å; Y57-Q115 WeakPolarHBondContact O-CA 3.39Å; Y57-S116 WeakPolarHBondContact CB-OG 3.32Å; Y57-S116 PolarHBondContact O-N 2.98Å; Y57-I117 HydrophobicContact CD2-CD1 3.51Å; Y57-I117 HydrophobicContact CG-CD1 4.02Å
58	L	98.4	Very high	97.1	Very high	0 Å²	0	60 Å²	60	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.2	168.7	-175.4	91.5	0	0	0	110	M24 L49 T56 E75 V76 F96 C113	M24-L58 HydrophobicContact CE-CD1 3.84Å; L49-L58 HydrophobicContact CD1-CB 4.12Å; L49-L58 HydrophobicContact CD1-CD1 3.71Å; T56-L58 PolarHBondContact O-N 2.92Å; L58-E75 PolarHBondContact O-N 2.93Å; L58-E75 VanDerWaalsContact O-N 3.09Å; L58-V76 HydrophobicContact CB-CG2 4.1Å; L58-V76 PolarHBondContact O-N 3.43Å; L58-V76 VanDerWaalsContact O-N 3.09Å; L58-F96 HydrophobicContact CB-CD1 4.41Å; L58-F96 HydrophobicContact CB-CE1 4.38Å; L58-F96 HydrophobicContact CD1-CB 4.35Å; L58-F96 HydrophobicContact CD1-CD2 3.75Å; L58-F96 HydrophobicContact CD1-CE2 4.17Å; L58-F96 HydrophobicContact CD1-CG 3.96Å; L58-F96 HydrophobicContact CD2-CB 3.43Å; L58-F96 VanDerWaalsContact CD2-CB 3.43Å; L58-F96 HydrophobicContact CD2-CD1 3.59Å; L58-F96 HydrophobicContact CD2-CD2 4.13Å; L58-F96 HydrophobicContact CD2-CE1 4.36Å; L58-F96 HydrophobicContact CD2-CG 3.43Å; L58-F96 VanDerWaalsContact CD2-CG 3.43Å; L58-F96 HydrophobicContact CG-CB 4.49Å; L58-F96 HydrophobicContact CG-CD1 4.38Å; L58-F96 HydrophobicContact CG-CD2 4.43Å; L58-F96 HydrophobicContact CG-CG 4.18Å; L58-C113 HydrophobicContact CD1-CB 4.29Å
59	Y	98.6	Very high	97.2	Very high	39 Å²	39	60.3 Å²	60.3	15%	0.153	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	144.8	177.6	-56.5	-96.4	0	0	0	110.4	Y57 Y61 L71 I73 Y74 C113 M114 S116	Y57-Y59 HydrophobicContact CD1-CE2 4.37Å; Y57-Y59 WeakPolarHBondContact CD1-OH 3.46Å; Y59-Y61 HydrophobicContact CG-CE2 4.42Å; Y59-L71 HydrophobicContact CD1-CD1 3.9Å; Y59-I73 CarbonylContact C-O 3.47Å; Y59-I73 VanDerWaalsContact CA-O 3.27Å; Y59-I73 WeakPolarHBondContact CA-O 3.41Å; Y59-Y74 VanDerWaalsContact CD1-CB 3.48Å; Y59-C113 CarbonylContact O-C 3.54Å; Y59-C113 VanDerWaalsContact O-CA 3.24Å; Y59-C113 WeakPolarHBondContact O-CA 3.3Å; Y59-M114 PolarHBondContact N-O 2.84Å; Y59-M114 PolarHBondContact O-N 3.39Å; Y59-S116 WeakPolarHBondContact CE2-OG 3.2Å
60	W	98.8	Very high	97.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.7	168.3	-71.1	97.3	0	0	0	109.8	I41 C43 L72 I73 L98 Y112 C113	I41-W60 HydrophobicContact CB-CH2 4.17Å; I41-W60 HydrophobicContact CB-CZ3 4.31Å; I41-W60 HydrophobicContact CG2-CH2 3.87Å; I41-W60 HydrophobicContact CG2-CZ3 3.94Å; C43-W60 HydrophobicContact CB-CH2 3.49Å; C43-W60 VanDerWaalsContact CB-CH2 3.49Å; C43-W60 HydrophobicContact CB-CZ2 3.55Å; C43-W60 HydrophobicContact CB-CZ3 4.47Å; W60-L72 HydrophobicContact CB-CB 4.41Å; W60-L72 WeakPolarHBondContact O-CA 3.42Å; W60-L72 VanDerWaalsContact O-CB 3.32Å; W60-L72 WeakPolarHBondContact O-CB 3.35Å; W60-L72 PolarHBondContact O-N 2.02Å; W60-I73 HydrophobicContact CB-CB 4.07Å; W60-I73 HydrophobicContact CB-CG1 4.4Å; W60-I73 HydrophobicContact CG-CB 4.45Å; W60-I73 PolarHBondContact N-O 2.83Å; W60-I73 PolarHBondContact O-N 2.86Å; W60-L98 HydrophobicContact CB-CD1 4.37Å; W60-L98 HydrophobicContact CD2-CB 3.63Å; W60-L98 HydrophobicContact CD2-CD1 4.42Å; W60-L98 HydrophobicContact CD2-CD2 4.13Å; W60-L98 HydrophobicContact CD2-CG 4.28Å; W60-L98 HydrophobicContact CE3-CB 3.89Å; W60-L98 HydrophobicContact CE3-CD2 3.92Å; W60-L98 HydrophobicContact CE3-CG 4.46Å; W60-L98 HydrophobicContact CG-CB 4.18Å; W60-L98 HydrophobicContact CG-CD1 4.11Å; W60-L98 HydrophobicContact CG-CD2 4.41Å; W60-L98 HydrophobicContact CG-CG 4.47Å; W60-L98 HydrophobicContact CH2-CB 3.88Å; W60-L98 HydrophobicContact CZ2-CB 3.66Å; W60-L98 HydrophobicContact CZ3-CB 4Å; W60-L98 HydrophobicContact CZ3-CD2 4.43Å; W60-Y112 CarbonylContact C-O 3.52Å; W60-Y112 WeakPolarHBondContact CA-O 3.38Å; W60-C113 HydrophobicContact CD2-CB 4.08Å; W60-C113 HydrophobicContact CE3-CB 3.85Å; W60-C113 HydrophobicContact CH2-CB 3.86Å; W60-C113 HydrophobicContact CZ2-CB 4.04Å; W60-C113 HydrophobicContact CZ3-CB 3.74Å
61	Y	98.7	Very high	97.4	Very high	60 Å²	60	62.1 Å²	62.1	24%	0.235	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.3	175.2	-66.4	-96.8	0	0	0	110.2	Y59 P69 Q70 L71 Y111 Y112 M114	Y59-Y61 HydrophobicContact CG-CE2 4.42Å; Y61-P69 HydrophobicContact CD1-CB 4.39Å; Y61-Q70 CarbonylContact C-O 3.57Å; Y61-Q70 WeakPolarHBondContact CA-O 3.46Å; Y61-L71 HydrophobicContact CD1-CB 4.2Å; Y61-L71 HydrophobicContact CD1-CD1 4.42Å; Y61-L71 HydrophobicContact CE1-CB 3.86Å; Y61-L71 HydrophobicContact CE1-CD1 3.94Å; Y61-L71 HydrophobicContact CE1-CG 4.48Å; Y61-L71 HydrophobicContact CE2-CD1 4.21Å; Y61-Y111 VanDerWaalsContact O-CA 3.3Å; Y61-Y111 WeakPolarHBondContact O-CA 3.5Å; Y61-Y112 PolarHBondContact N-O 2.79Å; Y61-Y112 PolarHBondContact O-N 3.2Å; Y61-M114 HydrophobicContact CD2-CB 4.44Å; Y61-M114 HydrophobicContact CE2-CB 4.17Å; Y61-M114 HydrophobicContact CE2-SD 4.38Å
62	L	98.6	Very high	97.6	Very high	11 Å²	11	58.9 Å²	58.9	6%	0.058	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127	169.4	171.3	56.2	0	0	0	108.9	K64 Q70 Y111	L62-K64 HydrophobicContact CD2-CG 4.38Å; L62-K64 HydrophobicContact CG-CG 4.25Å; L62-Q70 PolarHBondContact N-O 2.92Å; L62-Q70 PolarHBondContact O-N 3.24Å; L62-Y111 HydrophobicContact CB-CD1 4.24Å; L62-Y111 HydrophobicContact CB-CE1 4.01Å; L62-Y111 HydrophobicContact CD1-CD1 4.15Å; L62-Y111 HydrophobicContact CD1-CD2 4.1Å; L62-Y111 HydrophobicContact CD1-CE1 3.77Å; L62-Y111 HydrophobicContact CD1-CE2 3.71Å; L62-Y111 HydrophobicContact CD1-CG 4.32Å; L62-Y111 HydrophobicContact CD2-CE1 4.22Å; L62-Y111 HydrophobicContact CG-CE1 4.21Å
63	Q	98.6	Very high	97.8	Very high	61 Å²	61	53.4 Å²	53.4	29%	0.285	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	109.9	170.3	-169.8	175.6	10.5	0	0	110.2	Q67 P69 G109 V110 Y112	Q63-Q67 VanDerWaalsContact CG-O 3.23Å; Q63-Q67 WeakPolarHBondContact CG-O 3.39Å; Q63-Q67 PolarHBondContact NE2-O 2.85Å; Q63-Q67 VanDerWaalsContact NE2-O 3.11Å; Q63-P69 HydrophobicContact CB-CB 4.41Å; Q63-P69 HydrophobicContact CB-CG 4.26Å; Q63-P69 HydrophobicContact CG-CG 4.18Å; Q63-G109 CarbonylContact O-C 3.52Å; Q63-G109 VanDerWaalsContact O-CA 3.28Å; Q63-G109 WeakPolarHBondContact O-CA 3.35Å; Q63-V110 PolarHBondContact N-O 3.32Å; Q63-V110 PolarHBondContact O-N 3.28Å; Q63-Y112 HydrophobicContact CB-CE2 3.84Å; Q63-Y112 PolarHBondContact OE1-OH 2.91Å
64	K	97.6	Very high	97.9	Very high	59 Å²	59	53.6 Å²	53.6	26%	0.257	31%	0.307	S	S	.	.			trans	-79.3	154.4	173.2	-64.2	-172.6	-179.1	-166.4	0	110.5	L62 G66 Q67 E106	L62-K64 HydrophobicContact CD2-CG 4.38Å; L62-K64 HydrophobicContact CG-CG 4.25Å; K64-G66 PolarHBondContact O-N 2.79Å; K64-Q67 HydrophobicContact CB-CB 4.23Å; K64-Q67 HydrophobicContact CB-CG 4.28Å; K64-Q67 PolarHBondContact O-N 3.39Å; K64-E106 WeakPolarHBondContact CE-O 3.33Å; K64-E106 PolarHBondContact NZ-O 3.32Å
65	P	96.7	Very high	98	Very high	104 Å²	104	53.3 Å²	53.3	68%	0.675	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	127.8	177	-27.4	35.3	0	0	0	112.3	Q67	P65-Q67 PolarHBondContact O-N 2.89Å
66	G	97.3	Very high	98.1	Very high	95 Å²	95	49.8 Å²	49.8	98%	0.979	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	5.4	179.7	0	0	0	0	0	115.6	K64	K64-G66 PolarHBondContact O-N 2.79Å
67	Q	97.7	Very high	98.1	Very high	85 Å²	85	51.6 Å²	51.6	40%	0.397	29%	0.29	S	S	.	.	S	Bend	trans	-112.6	155.2	178.7	-62.1	-173.1	22	0	0	111.2	Q63 K64 P65	Q63-Q67 VanDerWaalsContact CG-O 3.23Å; Q63-Q67 WeakPolarHBondContact CG-O 3.39Å; Q63-Q67 PolarHBondContact NE2-O 2.85Å; Q63-Q67 VanDerWaalsContact NE2-O 3.11Å; K64-Q67 HydrophobicContact CB-CB 4.23Å; K64-Q67 HydrophobicContact CB-CG 4.28Å; K64-Q67 PolarHBondContact O-N 3.39Å; P65-Q67 PolarHBondContact O-N 2.89Å
68	P	97.9	Very high	98.2	Very high	93 Å²	93	52.3 Å²	52.3	60%	0.604	30%	0.297	S	S	*	.			trans	-68.5	158.3	168.5	30.2	-35.4	0	0	0	111	Q70	P68-Q70 PolarHBondContact O-N 3.06Å
69	P	97.9	Very high	98.2	Very high	69 Å²	69	57.7 Å²	57.7	45%	0.448	32%	0.318	S	S	.	.			trans	-57.3	135.1	171	-23.3	33.7	0	0	0	112.1	Y61 Q63	Y61-P69 HydrophobicContact CD1-CB 4.39Å; Q63-P69 HydrophobicContact CB-CB 4.41Å; Q63-P69 HydrophobicContact CB-CG 4.26Å; Q63-P69 HydrophobicContact CG-CG 4.18Å
70	Q	98.2	Very high	98.2	Very high	97 Å²	97	60.6 Å²	60.6	45%	0.453	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.2	176.8	-66.5	177.6	1.2	0	0	110	Y61 L62 P68 L72	Y61-Q70 CarbonylContact C-O 3.57Å; Y61-Q70 WeakPolarHBondContact CA-O 3.46Å; L62-Q70 PolarHBondContact N-O 2.92Å; L62-Q70 PolarHBondContact O-N 3.24Å; P68-Q70 PolarHBondContact O-N 3.06Å; Q70-L72 PolarHBondContact O-N 3.17Å
71	L	98.6	Very high	98.2	Very high	41 Å²	41	65.7 Å²	65.7	22%	0.215	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	127.6	177.1	179.6	61.8	0	0	0	110	Y59 Y61 I73 F80	Y59-L71 HydrophobicContact CD1-CD1 3.9Å; Y61-L71 HydrophobicContact CD1-CB 4.2Å; Y61-L71 HydrophobicContact CD1-CD1 4.42Å; Y61-L71 HydrophobicContact CE1-CB 3.86Å; Y61-L71 HydrophobicContact CE1-CD1 3.94Å; Y61-L71 HydrophobicContact CE1-CG 4.48Å; Y61-L71 HydrophobicContact CE2-CD1 4.21Å; L71-I73 WeakPolarHBondContact CD1-O 3.29Å; L71-F80 HydrophobicContact CB-CG 4.3Å; L71-F80 HydrophobicContact CD2-CB 4.41Å; L71-F80 HydrophobicContact CD2-CD2 3.62Å; L71-F80 HydrophobicContact CD2-CE2 4.12Å; L71-F80 HydrophobicContact CD2-CG 4.13Å; L71-F80 HydrophobicContact CG-CB 4.13Å; L71-F80 HydrophobicContact CG-CD2 4.2Å; L71-F80 HydrophobicContact CG-CG 4.2Å; L71-F80 WeakPolarHBondContact O-CB 3.4Å
72	L	98.5	Very high	98.2	Very high	10 Å²	10	66.8 Å²	66.8	5%	0.052	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-56.9	-178.9	-169.3	75.6	0	0	0	111	W60 Q70 F80 V83 F87 L98 Y111	W60-L72 HydrophobicContact CB-CB 4.41Å; W60-L72 WeakPolarHBondContact O-CA 3.42Å; W60-L72 VanDerWaalsContact O-CB 3.32Å; W60-L72 WeakPolarHBondContact O-CB 3.35Å; W60-L72 PolarHBondContact O-N 2.02Å; Q70-L72 PolarHBondContact O-N 3.17Å; L72-F80 PolarHBondContact O-N 3.21Å; L72-V83 HydrophobicContact CD1-CB 4.3Å; L72-V83 HydrophobicContact CD1-CG1 3.45Å; L72-V83 VanDerWaalsContact CD1-CG1 3.45Å; L72-V83 HydrophobicContact CD1-CG2 3.88Å; L72-V83 HydrophobicContact CG-CG1 3.97Å; L72-F87 HydrophobicContact CD1-CD1 4.04Å; L72-F87 HydrophobicContact CD1-CD2 4.29Å; L72-F87 HydrophobicContact CD1-CE1 4.22Å; L72-F87 HydrophobicContact CD1-CE2 4.48Å; L72-F87 HydrophobicContact CD1-CG 4.07Å; L72-F87 HydrophobicContact CD1-CZ 4.44Å; L72-F87 HydrophobicContact CD2-CB 4.44Å; L72-F87 HydrophobicContact CD2-CD1 3.38Å; L72-F87 HydrophobicContact CD2-CE1 3.79Å; L72-F87 HydrophobicContact CD2-CG 4.05Å; L72-F87 HydrophobicContact CG-CD1 4.12Å; L72-F87 HydrophobicContact CG-CG 4.33Å; L72-L98 HydrophobicContact CD2-CD1 3.81Å; L72-L98 HydrophobicContact CD2-CD2 3.89Å; L72-L98 HydrophobicContact CD2-CG 4.49Å; L72-Y111 HydrophobicContact CD2-CD1 4.36Å; L72-Y111 HydrophobicContact CD2-CE1 3.98Å
73	I	98.9	Very high	98.2	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.6	-179.8	-53.6	-67.3	0	0	0	108.5	Y59 W60 L71 V76 N78 R79 F87 L98	Y59-I73 CarbonylContact C-O 3.47Å; Y59-I73 VanDerWaalsContact CA-O 3.27Å; Y59-I73 WeakPolarHBondContact CA-O 3.41Å; W60-I73 HydrophobicContact CB-CB 4.07Å; W60-I73 HydrophobicContact CB-CG1 4.4Å; W60-I73 HydrophobicContact CG-CB 4.45Å; W60-I73 PolarHBondContact N-O 2.83Å; W60-I73 PolarHBondContact O-N 2.86Å; L71-I73 WeakPolarHBondContact CD1-O 3.29Å; I73-V76 VanDerWaalsContact CG2-O 3.24Å; I73-V76 WeakPolarHBondContact CG2-O 3.31Å; I73-N78 CarbonylContact C-O 3.59Å; I73-N78 VanDerWaalsContact CA-O 3.22Å; I73-N78 WeakPolarHBondContact CA-O 3.22Å; I73-N78 WeakPolarHBondContact CG2-O 2.96Å; I73-R79 HydrophobicContact CD1-CB 4.25Å; I73-R79 HydrophobicContact CD1-CG 3.41Å; I73-R79 VanDerWaalsContact CD1-CG 3.41Å; I73-F87 HydrophobicContact CD1-CB 4.44Å; I73-L98 HydrophobicContact CG1-CD1 3.96Å
74	Y	98.5	Very high	98.2	Very high	84 Å²	84	66.7 Å²	66.7	33%	0.329	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.9	172.6	69.3	-85.1	0	0	0	110.8	Y59 V76 S77 N78	Y59-Y74 VanDerWaalsContact CD1-CB 3.48Å; Y74-V76 PolarHBondContact O-N 2.8Å; Y74-S77 PolarHBondContact O-N 2.86Å; Y74-N78 HydrophobicContact CD1-CB 3.83Å; Y74-N78 VanDerWaalsContact CD1-O 3.23Å; Y74-N78 WeakPolarHBondContact CD1-O 3.16Å; Y74-N78 HydrophobicContact CD2-CB 3.94Å; Y74-N78 HydrophobicContact CE1-CB 3.47Å; Y74-N78 VanDerWaalsContact CE1-CB 3.47Å; Y74-N78 HydrophobicContact CE2-CB 3.58Å; Y74-N78 HydrophobicContact CG-CB 4.06Å; Y74-N78 PolarHBondContact N-O 3.09Å; Y74-N78 WeakPolarHBondContact O-CB 3.01Å; Y74-N78 PolarHBondContact O-N 3.09Å
75	E	98	Very high	98.2	Very high	51 Å²	51	70.4 Å²	70.4	24%	0.238	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	50.6	-177.9	-70.2	-179.5	-174.6	0	0	111.7	K55 T56 L58 S77	K55-E75 WeakPolarHBondContact CD-OE1 3.32Å; K55-E75 IonicContact NZ-OE1 3.75Å; K55-E75 PolarHBondContact NZ-OE1 3.26Å; K55-E75 IonicContact NZ-OE2 3.55Å; T56-E75 WeakPolarHBondContact O-CA 3.32Å; L58-E75 PolarHBondContact O-N 2.93Å; L58-E75 VanDerWaalsContact O-N 3.09Å; E75-S77 PolarHBondContact O-N 3.01Å
76	V	98.6	Very high	98.3	Very high	14 Å²	14	66.6 Å²	66.6	9%	0.085	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-48.2	-180	-175.7	0	0	0	0	115.7	T56 L58 I73 Y74 G89 F96	T56-V76 HydrophobicContact CG2-CG2 3.45Å; T56-V76 VanDerWaalsContact CG2-CG2 3.45Å; L58-V76 HydrophobicContact CB-CG2 4.1Å; L58-V76 PolarHBondContact O-N 3.43Å; L58-V76 VanDerWaalsContact O-N 3.09Å; I73-V76 VanDerWaalsContact CG2-O 3.24Å; I73-V76 WeakPolarHBondContact CG2-O 3.31Å; Y74-V76 PolarHBondContact O-N 2.8Å; V76-G89 CarbonylContact O-C 3.18Å; V76-G89 WeakPolarHBondContact O-CA 3.44Å; V76-F96 HydrophobicContact CG1-CD1 4.25Å; V76-F96 HydrophobicContact CG2-CD1 4.23Å; V76-F96 HydrophobicContact CG2-CE1 3.88Å
77	S	98.6	Very high	98.3	Very high	64 Å²	64	62.2 Å²	62.2	45%	0.448	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-8.4	-167.4	59.7	0	0	0	0	115.9	Y74 E75 G89	Y74-S77 PolarHBondContact O-N 2.86Å; E75-S77 PolarHBondContact O-N 3.01Å; S77-G89 WeakPolarHBondContact CB-O 3.27Å
78	N	98.6	Very high	98.4	Very high	62 Å²	62	60.3 Å²	60.3	33%	0.332	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.5	-176.5	-61.4	-42.5	0	0	0	110.9	I73 Y74	I73-N78 CarbonylContact C-O 3.59Å; I73-N78 VanDerWaalsContact CA-O 3.22Å; I73-N78 WeakPolarHBondContact CA-O 3.22Å; I73-N78 WeakPolarHBondContact CG2-O 2.96Å; Y74-N78 HydrophobicContact CD1-CB 3.83Å; Y74-N78 VanDerWaalsContact CD1-O 3.23Å; Y74-N78 WeakPolarHBondContact CD1-O 3.16Å; Y74-N78 HydrophobicContact CD2-CB 3.94Å; Y74-N78 HydrophobicContact CE1-CB 3.47Å; Y74-N78 VanDerWaalsContact CE1-CB 3.47Å; Y74-N78 HydrophobicContact CE2-CB 3.58Å; Y74-N78 HydrophobicContact CG-CB 4.06Å; Y74-N78 PolarHBondContact N-O 3.09Å; Y74-N78 WeakPolarHBondContact O-CB 3.01Å; Y74-N78 PolarHBondContact O-N 3.09Å
79	R	98.6	Very high	98.4	Very high	113 Å²	113	56.3 Å²	56.3	43%	0.426	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	135.4	175.1	-79	177	-64.8	-76.7	-7.2	111.2	I73 V83 P84 F87	I73-R79 HydrophobicContact CD1-CB 4.25Å; I73-R79 HydrophobicContact CD1-CG 3.41Å; I73-R79 VanDerWaalsContact CD1-CG 3.41Å; R79-V83 HydrophobicContact CB-CB 4.17Å; R79-V83 HydrophobicContact CB-CG1 4.32Å; R79-V83 HydrophobicContact CG-CB 4.34Å; R79-V83 HydrophobicContact CG-CG1 3.95Å; R79-P84 WeakPolarHBondContact CD-O 3.49Å; R79-F87 WeakPolarHBondContact CD-O 3.24Å; R79-F87 PolarHBondContact NH1-O 3.3Å
80	F	98.6	Very high	98.5	Very high	100 Å²	100	56 Å²	56	44%	0.439	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-68	157.7	168.3	-165.6	-110.1	0	0	0	110.8	L71 L72 G82 V83	L71-F80 HydrophobicContact CB-CG 4.3Å; L71-F80 HydrophobicContact CD2-CB 4.41Å; L71-F80 HydrophobicContact CD2-CD2 3.62Å; L71-F80 HydrophobicContact CD2-CE2 4.12Å; L71-F80 HydrophobicContact CD2-CG 4.13Å; L71-F80 HydrophobicContact CG-CB 4.13Å; L71-F80 HydrophobicContact CG-CD2 4.2Å; L71-F80 HydrophobicContact CG-CG 4.2Å; L71-F80 WeakPolarHBondContact O-CB 3.4Å; L72-F80 PolarHBondContact O-N 3.21Å; F80-G82 PolarHBondContact O-N 2.97Å; F80-V83 HydrophobicContact CB-CG2 4.01Å; F80-V83 VanDerWaalsContact O-CB 3.29Å; F80-V83 WeakPolarHBondContact O-CB 3.41Å; F80-V83 VanDerWaalsContact O-CG2 3.32Å; F80-V83 WeakPolarHBondContact O-CG2 3.38Å; F80-V83 PolarHBondContact O-N 2.86Å; F80-V83 VanDerWaalsContact O-N 3.1Å
81	S	98.2	Very high	98.5	Very high	107 Å²	107	53.2 Å²	53.2	75%	0.748	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131.1	-178.8	-62.6	0	0	0	0	111.8	V83	S81-V83 VanDerWaalsContact C-N 3.3Å; S81-V83 PolarHBondContact O-N 3.14Å
82	G	97.8	Very high	98.4	Very high	83 Å²	83	55.5 Å²	55.5	86%	0.856	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.4	-3.6	-179.8	0	0	0	0	0	115	F80 P84	F80-G82 PolarHBondContact O-N 2.97Å; G82-P84 WeakPolarHBondContact O-CD 3.49Å
83	V	98.3	Very high	98.3	Very high	26 Å²	26	56.2 Å²	56.2	16%	0.158	35%	0.348	C	S	.	.			trans	-75.4	125.5	175.4	174.7	0	0	0	0	110.2	L72 R79 F80 S81 F87	L72-V83 HydrophobicContact CD1-CB 4.3Å; L72-V83 HydrophobicContact CD1-CG1 3.45Å; L72-V83 VanDerWaalsContact CD1-CG1 3.45Å; L72-V83 HydrophobicContact CD1-CG2 3.88Å; L72-V83 HydrophobicContact CG-CG1 3.97Å; R79-V83 HydrophobicContact CB-CB 4.17Å; R79-V83 HydrophobicContact CB-CG1 4.32Å; R79-V83 HydrophobicContact CG-CB 4.34Å; R79-V83 HydrophobicContact CG-CG1 3.95Å; F80-V83 HydrophobicContact CB-CG2 4.01Å; F80-V83 VanDerWaalsContact O-CB 3.29Å; F80-V83 WeakPolarHBondContact O-CB 3.41Å; F80-V83 VanDerWaalsContact O-CG2 3.32Å; F80-V83 WeakPolarHBondContact O-CG2 3.38Å; F80-V83 PolarHBondContact O-N 2.86Å; F80-V83 VanDerWaalsContact O-N 3.1Å; S81-V83 VanDerWaalsContact C-N 3.3Å; S81-V83 PolarHBondContact O-N 3.14Å; V83-F87 HydrophobicContact CG1-CB 3.85Å; V83-F87 HydrophobicContact CG1-CD2 3.96Å; V83-F87 HydrophobicContact CG1-CG 4.09Å
84	P	98.3	Very high	98.3	Very high	43 Å²	43	58.3 Å²	58.3	28%	0.279	36%	0.361	S	S	.	.			trans	-58.1	149	179.6	-28.3	37.2	0	0	0	113.8	R79 G82 R86 F87	R79-P84 WeakPolarHBondContact CD-O 3.49Å; G82-P84 WeakPolarHBondContact O-CD 3.49Å; P84-R86 HydrophobicContact CB-CG 3.65Å; P84-R86 PolarHBondContact O-N 3.48Å; P84-F87 HydrophobicContact CB-CD2 4.07Å; P84-F87 HydrophobicContact CB-CE2 4.33Å; P84-F87 HydrophobicContact CG-CD2 4.34Å; P84-F87 HydrophobicContact CG-CE2 4.24Å; P84-F87 PolarHBondContact O-N 2.92Å
85	D	98.2	Very high	98.3	Very high	138 Å²	138	58.3 Å²	58.3	74%	0.738	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-19.9	179.2	67.2	-16.2	0	0	0	113.8	F87	D85-F87 PolarHBondContact O-N 2.78Å; D85-F87 VanDerWaalsContact O-N 3.17Å
86	R	98.4	Very high	98.3	Very high	23 Å²	23	56 Å²	56	9%	0.087	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.7	169.9	57.6	165.1	-173	-87.3	4.8	113.3	P84 I100 S101 R102 E104 E106 D107	P84-R86 HydrophobicContact CB-CG 3.65Å; P84-R86 PolarHBondContact O-N 3.48Å; R86-I100 CarbonylContact O-C 3.54Å; R86-I100 WeakPolarHBondContact O-CA 3.34Å; R86-S101 WeakPolarHBondContact CA-OG 3.11Å; R86-S101 WeakPolarHBondContact CB-OG 3.42Å; R86-S101 PolarHBondContact O-N 2.81Å; R86-S101 PolarHBondContact O-OG 2.96Å; R86-R102 WeakPolarHBondContact CD-O 3.34Å; R86-E104 VanDerWaalsContact CZ-CD 3.48Å; R86-E104 IonicContact CZ-OE1 2.86Å; R86-E104 IonicContact CZ-OE2 2.82Å; R86-E104 IonicContact NE-OE2 3.95Å; R86-E104 IonicContact NH1-OE1 3.89Å; R86-E104 PolarHBondContact NH1-OE1 3.32Å; R86-E104 IonicContact NH1-OE2 3.23Å; R86-E104 PolarHBondContact NH1-OE2 2.83Å; R86-E104 IonicContact NH2-OE2 3.8Å; R86-E104 PolarHBondContact NH2-OE2 3.44Å; R86-E106 IonicContact CZ-OE1 3.58Å; R86-E106 IonicContact NH1-OE1 3.98Å; R86-E106 IonicContact NH2-OE1 3.42Å; R86-E106 PolarHBondContact NH2-OE1 2.95Å; R86-D107 IonicContact CZ-OD1 3.09Å; R86-D107 IonicContact CZ-OD2 3.97Å; R86-D107 IonicContact NE-OD1 2.74Å; R86-D107 PolarHBondContact NE-OD1 3.45Å; R86-D107 IonicContact NE-OD2 3.85Å; R86-D107 PolarHBondContact NE-OD2 3.47Å; R86-D107 IonicContact NH2-OD1 3.21Å; R86-D107 PolarHBondContact NH2-OD1 3.4Å; R86-D107 IonicContact NH2-OD2 3.74Å
87	F	98.8	Very high	98.3	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.013	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.8	174.1	-66.6	-87.6	0	0	0	111.8	L72 I73 R79 V83 P84 D85 K99 I100 D107 Y111	L72-F87 HydrophobicContact CD1-CD1 4.04Å; L72-F87 HydrophobicContact CD1-CD2 4.29Å; L72-F87 HydrophobicContact CD1-CE1 4.22Å; L72-F87 HydrophobicContact CD1-CE2 4.48Å; L72-F87 HydrophobicContact CD1-CG 4.07Å; L72-F87 HydrophobicContact CD1-CZ 4.44Å; L72-F87 HydrophobicContact CD2-CB 4.44Å; L72-F87 HydrophobicContact CD2-CD1 3.38Å; L72-F87 HydrophobicContact CD2-CE1 3.79Å; L72-F87 HydrophobicContact CD2-CG 4.05Å; L72-F87 HydrophobicContact CG-CD1 4.12Å; L72-F87 HydrophobicContact CG-CG 4.33Å; I73-F87 HydrophobicContact CD1-CB 4.44Å; R79-F87 WeakPolarHBondContact CD-O 3.24Å; R79-F87 PolarHBondContact NH1-O 3.3Å; V83-F87 HydrophobicContact CG1-CB 3.85Å; V83-F87 HydrophobicContact CG1-CD2 3.96Å; V83-F87 HydrophobicContact CG1-CG 4.09Å; P84-F87 HydrophobicContact CB-CD2 4.07Å; P84-F87 HydrophobicContact CB-CE2 4.33Å; P84-F87 HydrophobicContact CG-CD2 4.34Å; P84-F87 HydrophobicContact CG-CE2 4.24Å; P84-F87 PolarHBondContact O-N 2.92Å; D85-F87 PolarHBondContact O-N 2.78Å; D85-F87 VanDerWaalsContact O-N 3.17Å; F87-K99 WeakPolarHBondContact CA-O 3.46Å; F87-I100 HydrophobicContact CD1-CD1 4.28Å; F87-I100 HydrophobicContact CD1-CG1 3.8Å; F87-I100 HydrophobicContact CE1-CB 4.5Å; F87-I100 HydrophobicContact CE1-CD1 3.56Å; F87-I100 HydrophobicContact CE1-CG1 3.6Å; F87-I100 HydrophobicContact CE1-CG2 4.23Å; F87-I100 HydrophobicContact CZ-CD1 4.26Å; F87-I100 HydrophobicContact CZ-CG1 4.48Å; F87-I100 HydrophobicContact CZ-CG2 4.37Å; F87-D107 HydrophobicContact CZ-CB 4.5Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.48Å; F87-Y111 HydrophobicContact CE1-CE1 4.06Å
88	S	98.8	Very high	98.3	Very high	45 Å²	45	54.2 Å²	54.2	32%	0.315	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.1	174.9	55.1	0	0	0	0	110.4	K99	S88-K99 PolarHBondContact N-O 3.39Å; S88-K99 PolarHBondContact O-N 3.31Å; S88-K99 PolarHBondContact OG-O 3.23Å
89	G	98.8	Very high	98.3	Very high	9 Å²	9	55.8 Å²	55.8	9%	0.093	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.4	169	0	0	0	0	0	110.7	V76 S77 T97	V76-G89 CarbonylContact O-C 3.18Å; V76-G89 WeakPolarHBondContact O-CA 3.44Å; S77-G89 WeakPolarHBondContact CB-O 3.27Å; G89-T97 CarbonylContact C-O 3.54Å; G89-T97 WeakPolarHBondContact CA-O 3.36Å
90	S	98.7	Very high	98.3	Very high	63 Å²	63	50.9 Å²	50.9	44%	0.441	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	165.9	177.6	64.2	0	0	0	0	110.9	F96 T97	S90-F96 CarbonylContact O-C 3.51Å; S90-F96 VanDerWaalsContact O-CA 3.29Å; S90-F96 WeakPolarHBondContact O-CA 3.32Å; S90-T97 PolarHBondContact N-O 2.66Å; S90-T97 PolarHBondContact O-N 3.42Å
91	G	98.3	Very high	98.3	Very high	39 Å²	39	49 Å²	49	40%	0.402	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.4	175.5	175.5	0	0	0	0	0	113.6	D95	G91-D95 CarbonylContact C-O 3.56Å; G91-D95 WeakPolarHBondContact CA-O 3.33Å
92	S	97.3	Very high	98.4	Very high	88 Å²	88	51.1 Å²	51.1	62%	0.615	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-164.2	164.2	177.2	62.1	0	0	0	0	110.1	T94 D95	S92-T94 PolarHBondContact O-N 3.34Å; S92-D95 PolarHBondContact N-O 3.1Å; S92-D95 VanDerWaalsContact N-O 3.12Å; S92-D95 PolarHBondContact O-N 2.93Å; S92-D95 VanDerWaalsContact O-N 3.17Å
93	G	95.9	Very high	98.4	Very high	26 Å²	26	48.1 Å²	48.1	27%	0.268	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	-104.5	-179.1	0	0	0	0	0	110.9	S48 L49 F96	S48-G93 WeakPolarHBondContact CA-O 3.22Å; L49-G93 PolarHBondContact N-O 3.1Å; L49-G93 VanDerWaalsContact N-O 3.1Å; G93-F96 WeakPolarHBondContact O-CZ 3.29Å
94	T	98.1	Very high	98.4	Very high	44 Å²	44	49.8 Å²	49.8	27%	0.27	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-11.3	-176.7	49.2	0	0	0	0	115	K44 S45 S92	K44-T94 CarbonylContact C-O 3.53Å; K44-T94 VanDerWaalsContact CA-O 3.22Å; K44-T94 WeakPolarHBondContact CA-O 3.31Å; S45-T94 PolarHBondContact N-O 3.49Å; S45-T94 WeakPolarHBondContact OG-CA 3.37Å; S92-T94 PolarHBondContact O-N 3.34Å
95	D	98.7	Very high	98.3	Very high	84 Å²	84	51.8 Å²	51.8	45%	0.449	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.2	-166.3	-63.5	-90.2	0	0	0	110.6	K44 G91 S92	K44-D95 IonicContact NZ-OD1 2.81Å; G91-D95 CarbonylContact C-O 3.56Å; G91-D95 WeakPolarHBondContact CA-O 3.33Å; S92-D95 PolarHBondContact N-O 3.1Å; S92-D95 VanDerWaalsContact N-O 3.12Å; S92-D95 PolarHBondContact O-N 2.93Å; S92-D95 VanDerWaalsContact O-N 3.17Å
96	F	98.8	Very high	98.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.5	-172.8	-54.7	-80.4	0	0	0	111.6	S42 C43 L49 T56 L58 V76 S90 G93	S42-F96 CarbonylContact C-O 3.56Å; S42-F96 WeakPolarHBondContact CA-O 3.31Å; C43-F96 HydrophobicContact CB-CB 4.33Å; C43-F96 PolarHBondContact N-O 3.17Å; C43-F96 PolarHBondContact O-N 3.12Å; L49-F96 HydrophobicContact CB-CE2 4.45Å; L49-F96 HydrophobicContact CB-CZ 4.1Å; L49-F96 HydrophobicContact CD1-CD2 4.44Å; L49-F96 HydrophobicContact CD1-CE2 3.63Å; L49-F96 HydrophobicContact CD1-CZ 3.94Å; L49-F96 HydrophobicContact CG-CE2 4.02Å; L49-F96 HydrophobicContact CG-CZ 4.18Å; T56-F96 HydrophobicContact CG2-CE1 3.7Å; T56-F96 HydrophobicContact CG2-CZ 3.73Å; L58-F96 HydrophobicContact CB-CD1 4.41Å; L58-F96 HydrophobicContact CB-CE1 4.38Å; L58-F96 HydrophobicContact CD1-CB 4.35Å; L58-F96 HydrophobicContact CD1-CD2 3.75Å; L58-F96 HydrophobicContact CD1-CE2 4.17Å; L58-F96 HydrophobicContact CD1-CG 3.96Å; L58-F96 HydrophobicContact CD2-CB 3.43Å; L58-F96 VanDerWaalsContact CD2-CB 3.43Å; L58-F96 HydrophobicContact CD2-CD1 3.59Å; L58-F96 HydrophobicContact CD2-CD2 4.13Å; L58-F96 HydrophobicContact CD2-CE1 4.36Å; L58-F96 HydrophobicContact CD2-CG 3.43Å; L58-F96 VanDerWaalsContact CD2-CG 3.43Å; L58-F96 HydrophobicContact CG-CB 4.49Å; L58-F96 HydrophobicContact CG-CD1 4.38Å; L58-F96 HydrophobicContact CG-CD2 4.43Å; L58-F96 HydrophobicContact CG-CG 4.18Å; V76-F96 HydrophobicContact CG1-CD1 4.25Å; V76-F96 HydrophobicContact CG2-CD1 4.23Å; V76-F96 HydrophobicContact CG2-CE1 3.88Å; S90-F96 CarbonylContact O-C 3.51Å; S90-F96 VanDerWaalsContact O-CA 3.29Å; S90-F96 WeakPolarHBondContact O-CA 3.32Å; G93-F96 WeakPolarHBondContact O-CZ 3.29Å
97	T	98.9	Very high	98.2	Very high	39 Å²	39	49.2 Å²	49.2	24%	0.239	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.6	179.8	-62.5	0	0	0	0	110.3	I41 G89 S90	I41-T97 CarbonylContact O-C 3.53Å; I41-T97 VanDerWaalsContact O-CA 3.32Å; I41-T97 WeakPolarHBondContact O-CA 3.29Å; G89-T97 CarbonylContact C-O 3.54Å; G89-T97 WeakPolarHBondContact CA-O 3.36Å; S90-T97 PolarHBondContact N-O 2.66Å; S90-T97 PolarHBondContact O-N 3.42Å
98	L	98.9	Very high	98.2	Very high	1 Å²	1	54 Å²	54	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.8	159.8	-179.7	66.9	0	0	0	108.5	S40 I41 W60 L72 I73 Y111	S40-L98 CarbonylContact C-O 3.52Å; S40-L98 WeakPolarHBondContact CA-O 3.34Å; I41-L98 HydrophobicContact CB-CB 4.5Å; I41-L98 HydrophobicContact CD1-CD2 4.49Å; I41-L98 PolarHBondContact N-O 3.34Å; I41-L98 PolarHBondContact O-N 3.22Å; W60-L98 HydrophobicContact CB-CD1 4.37Å; W60-L98 HydrophobicContact CD2-CB 3.63Å; W60-L98 HydrophobicContact CD2-CD1 4.42Å; W60-L98 HydrophobicContact CD2-CD2 4.13Å; W60-L98 HydrophobicContact CD2-CG 4.28Å; W60-L98 HydrophobicContact CE3-CB 3.89Å; W60-L98 HydrophobicContact CE3-CD2 3.92Å; W60-L98 HydrophobicContact CE3-CG 4.46Å; W60-L98 HydrophobicContact CG-CB 4.18Å; W60-L98 HydrophobicContact CG-CD1 4.11Å; W60-L98 HydrophobicContact CG-CD2 4.41Å; W60-L98 HydrophobicContact CG-CG 4.47Å; W60-L98 HydrophobicContact CH2-CB 3.88Å; W60-L98 HydrophobicContact CZ2-CB 3.66Å; W60-L98 HydrophobicContact CZ3-CB 4Å; W60-L98 HydrophobicContact CZ3-CD2 4.43Å; L72-L98 HydrophobicContact CD2-CD1 3.81Å; L72-L98 HydrophobicContact CD2-CD2 3.89Å; L72-L98 HydrophobicContact CD2-CG 4.49Å; I73-L98 HydrophobicContact CG1-CD1 3.96Å; L98-Y111 HydrophobicContact CD2-CD1 3.42Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.42Å; L98-Y111 HydrophobicContact CD2-CE1 3.82Å; L98-Y111 HydrophobicContact CD2-CG 4.22Å
99	K	98.8	Very high	98.1	Very high	96 Å²	96	53.2 Å²	53.2	42%	0.417	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.6	175.4	177.6	176	-177.3	178.6	0	110.6	A39 F87 S88	A39-K99 WeakPolarHBondContact O-CA 3.35Å; F87-K99 WeakPolarHBondContact CA-O 3.46Å; S88-K99 PolarHBondContact N-O 3.39Å; S88-K99 PolarHBondContact O-N 3.31Å; S88-K99 PolarHBondContact OG-O 3.23Å
100	I	98.8	Very high	98.1	Very high	9 Å²	9	56.4 Å²	56.4	5%	0.046	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.7	168.8	-44.9	178.7	0	0	0	106	P38 A39 R86 F87 R102 V103 Y111	P38-I100 CarbonylContact C-O 3.55Å; P38-I100 WeakPolarHBondContact CA-O 3.41Å; A39-I100 HydrophobicContact CB-CB 4.31Å; A39-I100 HydrophobicContact CB-CD1 4.49Å; A39-I100 PolarHBondContact N-O 2.84Å; A39-I100 PolarHBondContact O-N 2.83Å; R86-I100 CarbonylContact O-C 3.54Å; R86-I100 WeakPolarHBondContact O-CA 3.34Å; F87-I100 HydrophobicContact CD1-CD1 4.28Å; F87-I100 HydrophobicContact CD1-CG1 3.8Å; F87-I100 HydrophobicContact CE1-CB 4.5Å; F87-I100 HydrophobicContact CE1-CD1 3.56Å; F87-I100 HydrophobicContact CE1-CG1 3.6Å; F87-I100 HydrophobicContact CE1-CG2 4.23Å; F87-I100 HydrophobicContact CZ-CD1 4.26Å; F87-I100 HydrophobicContact CZ-CG1 4.48Å; F87-I100 HydrophobicContact CZ-CG2 4.37Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-V103 HydrophobicContact CB-CG2 4.11Å; I100-V103 HydrophobicContact CD1-CG2 4.41Å; I100-V103 HydrophobicContact CG2-CG2 4.01Å; I100-Y111 HydrophobicContact CD1-CE1 4.49Å
101	S	98.7	Very high	98.1	Very high	61 Å²	61	54.5 Å²	54.5	43%	0.427	32%	0.324	S	S	.	.	S	Bend	trans	-72.2	-29.4	-175.6	64.3	0	0	0	0	113	R86	R86-S101 WeakPolarHBondContact CA-OG 3.11Å; R86-S101 WeakPolarHBondContact CB-OG 3.42Å; R86-S101 PolarHBondContact O-N 2.81Å; R86-S101 PolarHBondContact O-OG 2.96Å
102	R	98.5	Very high	98.1	Very high	152 Å²	152	57.1 Å²	57.1	57%	0.574	32%	0.323	S	S	*	.	S	Bend	trans	-146.4	102.7	179.3	-173.9	-163.3	-47.5	-99.5	-2.5	108.7	R86 I100	R86-R102 WeakPolarHBondContact CD-O 3.34Å; I100-R102 VanDerWaalsContact C-N 3.33Å
103	V	98.6	Very high	98.1	Very high	19 Å²	19	53.5 Å²	53.5	12%	0.115	30%	0.297	C	S	.	.			trans	-69	136.2	179.4	172.6	0	0	0	0	111	V33 P35 G36 Q37 A39 I100 D107	V33-V103 HydrophobicContact CB-CG2 4.31Å; V33-V103 HydrophobicContact CG1-CB 4.26Å; V33-V103 HydrophobicContact CG1-CG2 3.95Å; P35-V103 CarbonylContact C-O 3.6Å; P35-V103 WeakPolarHBondContact CA-O 3.33Å; G36-V103 PolarHBondContact N-O 3.47Å; Q37-V103 WeakPolarHBondContact O-CG2 3.23Å; Q37-V103 PolarHBondContact O-N 3.05Å; A39-V103 HydrophobicContact CB-CG2 3.57Å; I100-V103 HydrophobicContact CB-CG2 4.11Å; I100-V103 HydrophobicContact CD1-CG2 4.41Å; I100-V103 HydrophobicContact CG2-CG2 4.01Å; V103-D107 HydrophobicContact CG1-CB 4.41Å
104	E	98.4	Very high	98.1	Very high	62 Å²	62	56.7 Å²	56.7	29%	0.29	31%	0.306	S	S	.	.			trans	-117.5	163.5	174.6	-70.4	172.7	-165.6	0	0	111.2	R86 E106 D107	R86-E104 VanDerWaalsContact CZ-CD 3.48Å; R86-E104 IonicContact CZ-OE1 2.86Å; R86-E104 IonicContact CZ-OE2 2.82Å; R86-E104 IonicContact NE-OE2 3.95Å; R86-E104 IonicContact NH1-OE1 3.89Å; R86-E104 PolarHBondContact NH1-OE1 3.32Å; R86-E104 IonicContact NH1-OE2 3.23Å; R86-E104 PolarHBondContact NH1-OE2 2.83Å; R86-E104 IonicContact NH2-OE2 3.8Å; R86-E104 PolarHBondContact NH2-OE2 3.44Å; E104-E106 HydrophobicContact CB-CG 4.07Å; E104-E106 PolarHBondContact O-N 3.4Å; E104-E106 VanDerWaalsContact OE2-OE1 3.05Å; E104-D107 PolarHBondContact N-OD2 2.81Å; E104-D107 WeakPolarHBondContact O-CB 3.35Å; E104-D107 PolarHBondContact O-N 3.34Å
105	A	96.6	Very high	98.1	Very high	84 Å²	84	55.2 Å²	55.2	69%	0.694	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-61.7	-29.4	-176.9	0	0	0	0	0	112.9	D107 V108	A105-D107 VanDerWaalsContact C-N 3.25Å; A105-D107 PolarHBondContact O-N 3.34Å; A105-V108 WeakPolarHBondContact O-CG2 3.46Å
106	E	96.4	Very high	97.8	Very high	98 Å²	98	53.3 Å²	53.3	46%	0.458	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-73.8	-9.1	176.5	66.1	-140.6	-133.7	0	0	115.2	K64 R86 E104 V108	K64-E106 WeakPolarHBondContact CE-O 3.33Å; K64-E106 PolarHBondContact NZ-O 3.32Å; R86-E106 IonicContact CZ-OE1 3.58Å; R86-E106 IonicContact NH1-OE1 3.98Å; R86-E106 IonicContact NH2-OE1 3.42Å; R86-E106 PolarHBondContact NH2-OE1 2.95Å; E104-E106 HydrophobicContact CB-CG 4.07Å; E104-E106 PolarHBondContact O-N 3.4Å; E104-E106 VanDerWaalsContact OE2-OE1 3.05Å; E106-V108 PolarHBondContact O-N 3.49Å
107	D	97.8	Very high	97.5	Very high	10 Å²	10	56 Å²	56	5%	0.053	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-83.5	0.4	-179.9	-59.9	-25.4	0	0	0	111.8	R86 F87 V103 E104 A105 G109 Y111	R86-D107 IonicContact CZ-OD1 3.09Å; R86-D107 IonicContact CZ-OD2 3.97Å; R86-D107 IonicContact NE-OD1 2.74Å; R86-D107 PolarHBondContact NE-OD1 3.45Å; R86-D107 IonicContact NE-OD2 3.85Å; R86-D107 PolarHBondContact NE-OD2 3.47Å; R86-D107 IonicContact NH2-OD1 3.21Å; R86-D107 PolarHBondContact NH2-OD1 3.4Å; R86-D107 IonicContact NH2-OD2 3.74Å; F87-D107 HydrophobicContact CZ-CB 4.5Å; F87-D107 WeakPolarHBondContact CZ-OD1 3.48Å; V103-D107 HydrophobicContact CG1-CB 4.41Å; E104-D107 PolarHBondContact N-OD2 2.81Å; E104-D107 WeakPolarHBondContact O-CB 3.35Å; E104-D107 PolarHBondContact O-N 3.34Å; A105-D107 VanDerWaalsContact C-N 3.25Å; A105-D107 PolarHBondContact O-N 3.34Å; D107-G109 PolarHBondContact O-N 3.1Å; D107-Y111 PolarHBondContact O-OH 2.99Å
108	V	97.7	Very high	96.7	Very high	102 Å²	102	56.4 Å²	56.4	62%	0.618	30%	0.303	S	S	*	.			trans	-66.2	118.4	174.8	176.2	0	0	0	0	110.3	A105 E106	A105-V108 WeakPolarHBondContact O-CG2 3.46Å; E106-V108 PolarHBondContact O-N 3.49Å
109	G	97.9	Very high	95.7	Very high	30 Å²	30	62.4 Å²	62.4	31%	0.309	33%	0.334	S	S	.	.	S	Bend	trans	175.7	-174.3	176.7	0	0	0	0	0	112.2	Q63 D107	Q63-G109 CarbonylContact O-C 3.52Å; Q63-G109 VanDerWaalsContact O-CA 3.28Å; Q63-G109 WeakPolarHBondContact O-CA 3.35Å; D107-G109 PolarHBondContact O-N 3.1Å
110	V	98.3	Very high	93.9	Very high	76 Å²	76	66.4 Å²	66.4	46%	0.461	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	131.6	174	-169.5	0	0	0	0	109	Q63 Y112	Q63-V110 PolarHBondContact N-O 3.32Å; Q63-V110 PolarHBondContact O-N 3.28Å; V110-Y112 HydrophobicContact CB-CE2 3.89Å; V110-Y112 HydrophobicContact CG1-CD1 4.47Å; V110-Y112 HydrophobicContact CG1-CD2 4.44Å; V110-Y112 HydrophobicContact CG1-CE1 3.75Å; V110-Y112 HydrophobicContact CG1-CE2 3.71Å; V110-Y112 VanDerWaalsContact CG1-OH 3.31Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.42Å
111	Y	98.6	Very high	93.7	Very high	23 Å²	23	69.3 Å²	69.3	9%	0.09	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.2	179	-69.4	-94.8	0	0	0	110.5	Q26 I41 Y61 L62 L72 F87 L98 I100 D107	Q26-Y111 PolarHBondContact NE2-O 2.84Å; I41-Y111 HydrophobicContact CD1-CD1 4.5Å; I41-Y111 HydrophobicContact CD1-CD2 3.88Å; I41-Y111 HydrophobicContact CD1-CG 3.75Å; Y61-Y111 VanDerWaalsContact O-CA 3.3Å; Y61-Y111 WeakPolarHBondContact O-CA 3.5Å; L62-Y111 HydrophobicContact CB-CD1 4.24Å; L62-Y111 HydrophobicContact CB-CE1 4.01Å; L62-Y111 HydrophobicContact CD1-CD1 4.15Å; L62-Y111 HydrophobicContact CD1-CD2 4.1Å; L62-Y111 HydrophobicContact CD1-CE1 3.77Å; L62-Y111 HydrophobicContact CD1-CE2 3.71Å; L62-Y111 HydrophobicContact CD1-CG 4.32Å; L62-Y111 HydrophobicContact CD2-CE1 4.22Å; L62-Y111 HydrophobicContact CG-CE1 4.21Å; L72-Y111 HydrophobicContact CD2-CD1 4.36Å; L72-Y111 HydrophobicContact CD2-CE1 3.98Å; F87-Y111 HydrophobicContact CE1-CE1 4.06Å; L98-Y111 HydrophobicContact CD2-CD1 3.42Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.42Å; L98-Y111 HydrophobicContact CD2-CE1 3.82Å; L98-Y111 HydrophobicContact CD2-CG 4.22Å; I100-Y111 HydrophobicContact CD1-CE1 4.49Å; D107-Y111 PolarHBondContact O-OH 2.99Å
112	Y	97.9	Very high	93.4	Very high	93 Å²	93	69.7 Å²	69.7	37%	0.365	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.1	-179.7	-54.6	-82.9	0	0	0	110.5	W60 Y61 Q63 V110	W60-Y112 CarbonylContact C-O 3.52Å; W60-Y112 WeakPolarHBondContact CA-O 3.38Å; Y61-Y112 PolarHBondContact N-O 2.79Å; Y61-Y112 PolarHBondContact O-N 3.2Å; Q63-Y112 HydrophobicContact CB-CE2 3.84Å; Q63-Y112 PolarHBondContact OE1-OH 2.91Å; V110-Y112 HydrophobicContact CB-CE2 3.89Å; V110-Y112 HydrophobicContact CG1-CD1 4.47Å; V110-Y112 HydrophobicContact CG1-CD2 4.44Å; V110-Y112 HydrophobicContact CG1-CE1 3.75Å; V110-Y112 HydrophobicContact CG1-CE2 3.71Å; V110-Y112 VanDerWaalsContact CG1-OH 3.31Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.42Å
113	C	98.1	Very high	93.2	Very high	13 Å²	13	65.2 Å²	65.2	9%	0.088	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.3	162.9	70.2	0	0	0	0	109.6	Q26 C43 L58 Y59 W60	Q26-C113 PolarHBondContact OE1-SG 2.84Å; Q26-C113 VanDerWaalsContact OE1-SG 3.34Å; C43-C113 HydrophobicContact CB-CB 3.52Å; C43-C113 WeakPolarHBondContact CB-SG 3.28Å; C43-C113 WeakPolarHBondContact SG-CB 3.2Å; C43-C113 CovalentContact SG-SG 2.02Å; C43-C113 PolarHBondContact SG-SG 2.96Å; L58-C113 HydrophobicContact CD1-CB 4.29Å; Y59-C113 CarbonylContact O-C 3.54Å; Y59-C113 VanDerWaalsContact O-CA 3.24Å; Y59-C113 WeakPolarHBondContact O-CA 3.3Å; W60-C113 HydrophobicContact CD2-CB 4.08Å; W60-C113 HydrophobicContact CE3-CB 3.85Å; W60-C113 HydrophobicContact CH2-CB 3.86Å; W60-C113 HydrophobicContact CZ2-CB 4.04Å; W60-C113 HydrophobicContact CZ3-CB 3.74Å
114	M	96.8	Very high	92.8	Very high	93 Å²	93	67.9 Å²	67.9	46%	0.458	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.9	-179.7	-175.3	-179.9	172.3	0	0	109.3	Y59 Y61	Y59-M114 PolarHBondContact N-O 2.84Å; Y59-M114 PolarHBondContact O-N 3.39Å; Y61-M114 HydrophobicContact CD2-CB 4.44Å; Y61-M114 HydrophobicContact CE2-CB 4.17Å; Y61-M114 HydrophobicContact CE2-SD 4.38Å
115	Q	96	Very high	92.5	Very high	13 Å²	13	68.3 Å²	68.3	6%	0.061	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	152.4	170.9	67.3	78.3	28.1	0	0	110.6	I22 M24 L49 Y57 I117 Q118	I22-Q115 HydrophobicContact CB-CG 4.08Å; I22-Q115 HydrophobicContact CG2-CG 3.92Å; M24-Q115 HydrophobicContact CG-CG 4.25Å; M24-Q115 HydrophobicContact SD-CB 3.99Å; M24-Q115 HydrophobicContact SD-CG 3.69Å; L49-Q115 HydrophobicContact CD1-CB 3.68Å; L49-Q115 HydrophobicContact CD2-CB 3.58Å; L49-Q115 HydrophobicContact CD2-CG 4Å; L49-Q115 HydrophobicContact CG-CB 4.27Å; Y57-Q115 VanDerWaalsContact O-CA 3.31Å; Y57-Q115 WeakPolarHBondContact O-CA 3.39Å; Q115-I117 VanDerWaalsContact OE1-CB 3.3Å; Q115-Q118 PolarHBondContact NE2-O 3.45Å
116	S	93.9	Very high	92.2	Very high	44 Å²	44	67.2 Å²	67.2	31%	0.308	38%	0.375	S	S	.	.			trans	-125.8	22.5	175	78.9	0	0	0	0	113.8	Y57 Y59	Y57-S116 WeakPolarHBondContact CB-OG 3.32Å; Y57-S116 PolarHBondContact O-N 2.98Å; Y59-S116 WeakPolarHBondContact CE2-OG 3.2Å
117	I	91	Very high	91.9	Very high	57 Å²	57	65 Å²	65	29%	0.292	37%	0.369	S	S	.	.	S	Bend	trans	-75	-42.7	174.1	-59.2	-63.9	0	0	0	110.8	I22 L49 H51 Y57 Q115	I22-I117 HydrophobicContact CD1-CB 4.07Å; I22-I117 HydrophobicContact CD1-CG2 4.14Å; L49-I117 HydrophobicContact CB-CG1 4.25Å; L49-I117 HydrophobicContact CD2-CG1 4.16Å; L49-I117 WeakPolarHBondContact O-CD1 3.34Å; H51-I117 HydrophobicContact CB-CD1 3.69Å; Y57-I117 HydrophobicContact CD2-CD1 3.51Å; Y57-I117 HydrophobicContact CG-CD1 4.02Å; Q115-I117 VanDerWaalsContact OE1-CB 3.3Å
118	Q	83.9	Confident	91.5	Very high	49 Å²	49	69.2 Å²	69.2	23%	0.229	39%	0.393	C	S	.	.			trans	-124.2	122.9	-179.4	-173.7	170.3	-19.5	0	0	108.8	A20 I22 Q115	A20-Q118 PolarHBondContact O-NE2 3.06Å; A20-Q118 PolarHBondContact O-OE1 3.22Å; I22-Q118 HydrophobicContact CD1-CB 3.83Å; I22-Q118 HydrophobicContact CG1-CB 4.02Å; Q115-Q118 PolarHBondContact NE2-O 3.45Å
119	L	76	Confident	90.9	Very high	126 Å²	126	66.5 Å²	66.5	66%	0.66	38%	0.375	S	S	*	.			trans	-105.4	147.4	172.5	-62.7	172.6	0	0	0	108
120	P	62.8	Low	90.3	Very high	181 Å²	181	69.8 Å²	69.8	100%	1.175	38%	0.381	S	S	*	.			trans	-53.9	0	173.5	-23.7	32.8	0	0	0	113.7

Retrieved 120 of 120 residues in 62.4 ms (Link to these results)

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