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Immunoglobulin heavy variable 4-30-2

V region of the variable domain of immunoglobulin heavy 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 A0A087WSY4, Species HUMAN (Homo sapiens, Human), Gene IGHV4-30-2, Length 118 aa.

						>HV432_HUMAN|A0A087WSY4|IGHV4-30-2
MKHLWFFLLLVAAPRWVLSQLQLQESGSGLVKPSQTLSLTCAVSGGSISSGGYSWSWIRQPPGKGLEWIGYIYHSGSTYYNPSLKSRVTISVDRSKNQFSLKLSSVTAADTAVYYCAR
					

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(Predicted Aligned Error values between residue pairs)

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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	55.9	Low	60.7	Low	224 Å²	224	156.3 Å²	156.3	100%	1.103	75%	0.749	S	S	*	*				0	4.6	0	-76.3	169.8	-158.2	0	0	115.2
2	K	61.4	Low	61	Low	176 Å²	176	149.3 Å²	149.3	77%	0.765	74%	0.736	S	S	*	*			trans	-83.8	-21.2	179	-82.4	-179.4	166.3	-178	0	115.3
3	H	62	Low	61.2	Low	152 Å²	152	143.4 Å²	143.4	70%	0.704	73%	0.726	S	S	*	*	S	Bend	trans	-83.3	-17.6	180	-63.1	-68.1	0	0	0	113.8	W5 F6 F7	H3-W5 VanDerWaalsContact C-N 3.31Å; H3-W5 PolarHBondContact O-N 3.49Å; H3-F6 PolarHBondContact O-N 3.44Å; H3-F7 WeakPolarHBondContact O-CD2 3.2Å
4	L	61.1	Low	61.4	Low	129 Å²	129	140.1 Å²	140.1	68%	0.675	72%	0.719	S	S	*	*	H	α-helix	trans	-70.1	-29.3	-178.4	-139.4	78.4	0	0	0	112.2
5	W	62.1	Low	61.4	Low	201 Å²	201	146.5 Å²	146.5	76%	0.761	73%	0.73	S	S	*	*	H	α-helix	trans	-72.8	-29.7	179.1	-83.7	-18.5	0	0	0	114.2	H3 F7 L8	H3-W5 VanDerWaalsContact C-N 3.31Å; H3-W5 PolarHBondContact O-N 3.49Å; W5-F7 VanDerWaalsContact C-N 3.32Å; W5-F7 PolarHBondContact O-N 3.3Å; W5-L8 PolarHBondContact O-N 3.47Å
6	F	60.8	Low	61.7	Low	155 Å²	155	151.2 Å²	151.2	68%	0.68	74%	0.737	S	S	*	*	H	α-helix	trans	-67.8	-33	176.3	-84.8	-82.3	0	0	0	112.4	H3 L8	H3-F6 PolarHBondContact O-N 3.44Å; F6-L8 VanDerWaalsContact C-N 3.34Å
7	F	60	Low	62.2	Low	152 Å²	152	149.5 Å²	149.5	67%	0.667	74%	0.737	S	S	*	*	H	α-helix	trans	-70.8	-28.3	175.7	-69.3	-73.8	0	0	0	113.1	H3 W5 L9	H3-F7 WeakPolarHBondContact O-CD2 3.2Å; W5-F7 VanDerWaalsContact C-N 3.32Å; W5-F7 PolarHBondContact O-N 3.3Å; F7-L9 PolarHBondContact O-N 3.5Å
8	L	60.2	Low	62.7	Low	119 Å²	119	149.5 Å²	149.5	62%	0.623	74%	0.74	S	S	*	*	H	α-helix	trans	-70.5	-28.5	179.7	-95.9	151.1	0	0	0	113.6	W5 F6	W5-L8 PolarHBondContact O-N 3.47Å; F6-L8 VanDerWaalsContact C-N 3.34Å
9	L	59.8	Low	63.4	Low	137 Å²	137	146.1 Å²	146.1	72%	0.717	73%	0.732	S	S	*	*	H	α-helix	trans	-77.2	-26.9	-179.7	-84.9	157.8	0	0	0	113.8	F7 V11 A12	F7-L9 PolarHBondContact O-N 3.5Å; L9-V11 VanDerWaalsContact C-N 3.28Å; L9-V11 PolarHBondContact O-N 3.3Å; L9-A12 PolarHBondContact O-N 3.45Å
10	L	59.6	Low	64.7	Low	149 Å²	149	146.6 Å²	146.6	78%	0.78	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-16.5	180	-98	151.8	0	0	0	113.8	A12	L10-A12 VanDerWaalsContact C-N 3.35Å
11	V	64.3	Low	66	Low	125 Å²	125	141.8 Å²	141.8	76%	0.758	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-10.1	179.6	-170.2	0	0	0	0	112.2	L9 A13	L9-V11 VanDerWaalsContact C-N 3.28Å; L9-V11 PolarHBondContact O-N 3.3Å; V11-A13 VanDerWaalsContact C-N 3.32Å; V11-A13 PolarHBondContact O-N 3.25Å
12	A	64.3	Low	67.9	Low	73 Å²	73	137 Å²	137	60%	0.603	68%	0.684	S	S	*	*			trans	-92	32.1	-178.7	0	0	0	0	0	113.7	L9 L10 P14	L9-A12 PolarHBondContact O-N 3.45Å; L10-A12 VanDerWaalsContact C-N 3.35Å; A12-P14 WeakPolarHBondContact O-CD 3.17Å
13	A	64.5	Low	69.7	Low	72 Å²	72	131 Å²	131	60%	0.595	66%	0.659	S	S	*	*			trans	-74	106	163.9	0	0	0	0	0	107.5	V11 R15	V11-A13 VanDerWaalsContact C-N 3.32Å; V11-A13 PolarHBondContact O-N 3.25Å; A13-R15 PolarHBondContact O-N 3.32Å
14	P	63.2	Low	71.4	Confident	97 Å²	97	130.2 Å²	130.2	63%	0.63	66%	0.656	S	S	*	*			trans	-69.9	110.4	-178.1	32.2	-32.1	0	0	0	106.7	A12 W16	A12-P14 WeakPolarHBondContact O-CD 3.17Å; P14-W16 PolarHBondContact O-N 3.01Å
15	R	62	Low	73.2	Confident	237 Å²	237	127.7 Å²	127.7	89%	0.894	64%	0.641	S	S	*	*			trans	-71.5	69.6	178.1	-63.4	-175.4	-178.5	-157.8	0.5	109.3	A13 V17	A13-R15 PolarHBondContact O-N 3.32Å; R15-V17 PolarHBondContact O-N 3.39Å
16	W	65.9	Low	74.9	Confident	221 Å²	221	121.1 Å²	121.1	84%	0.837	63%	0.626	S	S	*	*			trans	-75.2	60.2	163.2	-66.6	82.7	0	0	0	108.5	P14 L18	P14-W16 PolarHBondContact O-N 3.01Å; W16-L18 VanDerWaalsContact C-N 3.27Å; W16-L18 PolarHBondContact O-N 3.27Å; W16-L18 VanDerWaalsContact O-N 3.13Å
17	V	71	Confident	76.6	Confident	122 Å²	122	116.3 Å²	116.3	74%	0.739	62%	0.619	S	S	*	*			trans	-81.5	90.4	163.7	-178.8	0	0	0	0	104.8	R15 S19	R15-V17 PolarHBondContact O-N 3.39Å; V17-S19 PolarHBondContact O-N 3.17Å
18	L	70	Confident	77.9	Confident	150 Å²	150	111 Å²	111	79%	0.785	60%	0.601	S	S	*	*			trans	-51.7	130.2	158	-69.5	173.1	0	0	0	106.2	W16 Q20	W16-L18 VanDerWaalsContact C-N 3.27Å; W16-L18 PolarHBondContact O-N 3.27Å; W16-L18 VanDerWaalsContact O-N 3.13Å; L18-Q20 PolarHBondContact O-N 2.84Å
19	S	76.1	Confident	79.3	Confident	85 Å²	85	108.9 Å²	108.9	59%	0.594	61%	0.608	S	S	*	*			trans	-57.6	115.1	180	57.1	0	0	0	0	108.8	V17 G45	V17-S19 PolarHBondContact O-N 3.17Å; S19-G45 WeakPolarHBondContact OG-CA 3.49Å; S19-G45 PolarHBondContact OG-O 3.26Å
20	Q	89.5	Confident	80.8	Confident	156 Å²	156	110.7 Å²	110.7	73%	0.729	62%	0.618	S	S	*	*			trans	-66.5	139.9	175	-175.7	177.1	-17.3	0	0	109.1	L18 Q22	L18-Q20 PolarHBondContact O-N 2.84Å; Q20-Q22 PolarHBondContact O-N 2.96Å
21	L	93.2	Very high	82.6	Confident	46 Å²	46	105.3 Å²	105.3	24%	0.241	59%	0.591	C	S	.	*			trans	-60.5	128.3	172.7	-178.6	75.3	0	0	0	109.7	V43 S44 W55 R118	L21-V43 HydrophobicContact CD1-CG1 3.59Å; L21-S44 WeakPolarHBondContact CA-O 3.33Å; L21-W55 HydrophobicContact CD1-CH2 4.31Å; L21-W55 HydrophobicContact CD2-CH2 4.47Å; L21-R118 HydrophobicContact CD2-CB 4.47Å
22	Q	95.9	Very high	84.1	Confident	123 Å²	123	106.4 Å²	106.4	58%	0.575	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-127.8	144.9	175.4	-65.3	176.9	-44.7	0	0	110.3	Q20 S44	Q20-Q22 PolarHBondContact O-N 2.96Å; Q22-S44 WeakPolarHBondContact CB-OG 3.28Å; Q22-S44 PolarHBondContact N-O 3.41Å; Q22-S44 PolarHBondContact O-N 2.95Å
23	L	97.9	Very high	85.6	Confident	49 Å²	49	107.8 Å²	107.8	26%	0.257	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.5	132.6	178.3	-63.1	-173.4	0	0	0	108.4	A42 V43 W55	L23-A42 WeakPolarHBondContact CA-O 3.4Å; L23-V43 HydrophobicContact CD2-CB 4.3Å; L23-V43 HydrophobicContact CD2-CG1 4.26Å; L23-V43 HydrophobicContact CD2-CG2 3.67Å; L23-W55 HydrophobicContact CD2-CE3 4.42Å; L23-W55 HydrophobicContact CD2-CZ3 3.89Å
24	Q	98	Very high	87.1	Confident	136 Å²	136	109 Å²	109	64%	0.636	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-132	110.6	-179.2	-176.4	174.8	-13.3	0	0	110.8	C41 A42	Q24-C41 WeakPolarHBondContact O-CA 3.31Å; Q24-A42 PolarHBondContact N-O 2.93Å; Q24-A42 PolarHBondContact O-N 3.12Å
25	E	98.3	Very high	88.7	Confident	76 Å²	76	109 Å²	109	36%	0.355	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.6	140.6	175	-59.5	84.8	166.8	0	0	111.6	T40 W57 Y115 C116	E25-T40 CarbonylContact C-O 3.48Å; E25-T40 WeakPolarHBondContact CA-O 3.26Å; E25-W57 HydrophobicContact CG-CH2 4.47Å; E25-W57 HydrophobicContact CG-CZ3 4.19Å; E25-Y115 WeakPolarHBondContact OE1-CA 3.47Å; E25-C116 HydrophobicContact CG-CB 4.27Å; E25-C116 VanDerWaalsContact CG-SG 3.53Å; E25-C116 PolarHBondContact OE1-N 3.16Å; E25-C116 PolarHBondContact OE1-SG 2.87Å
26	S	98	Very high	90.5	Very high	64 Å²	64	100.9 Å²	100.9	45%	0.448	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-152.1	161.7	174	59.6	0	0	0	0	109.5	L39 T40	S26-L39 CarbonylContact O-C 3.59Å; S26-L39 WeakPolarHBondContact O-CA 3.1Å; S26-T40 PolarHBondContact N-O 3.02Å; S26-T40 PolarHBondContact O-N 3.3Å; S26-T40 PolarHBondContact OG-O 3.38Å
27	G	96.1	Very high	92	Very high	53 Å²	53	90.9 Å²	90.9	55%	0.546	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.5	-165.3	175.4	0	0	0	0	0	113.7	G29 S38	G27-G29 PolarHBondContact O-N 3.01Å; G27-S38 VanDerWaalsContact CA-O 3.28Å; G27-S38 WeakPolarHBondContact CA-O 3.24Å
28	S	87.8	Confident	93.3	Very high	41 Å²	41	87.4 Å²	87.4	29%	0.287	51%	0.505	S	S	.	.			trans	-67.8	116.8	178.6	56.1	0	0	0	0	110.4	L37 S38	S28-L37 WeakPolarHBondContact O-CD1 3.2Å; S28-L37 VanDerWaalsContact OG-CD1 3.23Å; S28-L37 WeakPolarHBondContact OG-CD1 3.15Å; S28-S38 PolarHBondContact N-O 3.16Å; S28-S38 PolarHBondContact OG-N 2.9Å; S28-S38 VanDerWaalsContact OG-N 3.12Å; S28-S38 PolarHBondContact OG-O 3.19Å
29	G	88.8	Confident	94.6	Very high	74 Å²	74	81.2 Å²	81.2	76%	0.763	47%	0.472	S	S	*	.	S	Bend	trans	-71.6	-78.1	177.5	0	0	0	0	0	112.2	G27	G27-G29 PolarHBondContact O-N 3.01Å
30	L	93.4	Very high	95.7	Very high	175 Å²	175	78.8 Å²	78.8	92%	0.916	45%	0.454	S	S	*	.	S	Bend	trans	-92.2	125.9	177.6	-173.7	64.5	0	0	0	110.7
31	V	95.7	Very high	96.2	Very high	36 Å²	36	71.3 Å²	71.3	22%	0.218	42%	0.419	C	S	.	.			trans	-124.5	143.8	177.1	-69.9	0	0	0	0	110	L37 V106	V31-L37 HydrophobicContact CG2-CB 4.38Å; V31-V106 HydrophobicContact CB-CG2 4.39Å; V31-V106 HydrophobicContact CG2-CB 4.4Å; V31-V106 HydrophobicContact CG2-CG1 4.36Å; V31-V106 HydrophobicContact CG2-CG2 3.78Å
32	K	95.9	Very high	96.4	Very high	149 Å²	149	70.6 Å²	70.6	65%	0.648	42%	0.42	S	S	*	.			trans	-75.2	155.4	176.3	-62.1	-179.2	179.6	179.9	0	110	Q35 V106	K32-Q35 HydrophobicContact CB-CG 4.02Å; K32-Q35 VanDerWaalsContact O-CB 3.26Å; K32-Q35 WeakPolarHBondContact O-CB 3.45Å; K32-Q35 WeakPolarHBondContact O-CG 3.32Å; K32-Q35 PolarHBondContact O-N 2.78Å; K32-V106 WeakPolarHBondContact O-CG2 3.3Å
33	P	96.2	Very high	96.5	Very high	101 Å²	101	65.2 Å²	65.2	66%	0.656	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	146.7	171.4	-27.3	35.5	0	0	0	112.4	Q35 V106	P33-Q35 PolarHBondContact O-N 3.01Å; P33-Q35 VanDerWaalsContact O-N 3.08Å; P33-V106 WeakPolarHBondContact CA-O 3.44Å
34	S	96.5	Very high	96.4	Very high	99 Å²	99	65.4 Å²	65.4	69%	0.692	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-1.5	-178.1	-51.5	0	0	0	0	115.9	V106	S34-V106 PolarHBondContact N-O 2.71Å
35	Q	97.5	Very high	96.2	Very high	96 Å²	96	60.6 Å²	60.6	45%	0.449	39%	0.388	S	S	.	.	S	Bend	trans	-80.1	179.4	170.6	-62.3	-170.6	-37.6	0	0	111.5	K32 P33 S105 V106	K32-Q35 HydrophobicContact CB-CG 4.02Å; K32-Q35 VanDerWaalsContact O-CB 3.26Å; K32-Q35 WeakPolarHBondContact O-CB 3.45Å; K32-Q35 WeakPolarHBondContact O-CG 3.32Å; K32-Q35 PolarHBondContact O-N 2.78Å; P33-Q35 PolarHBondContact O-N 3.01Å; P33-Q35 VanDerWaalsContact O-N 3.08Å; Q35-S105 PolarHBondContact O-N 2.98Å; Q35-V106 WeakPolarHBondContact O-CG2 3.43Å; Q35-V106 PolarHBondContact O-N 3.18Å; Q35-V106 VanDerWaalsContact O-N 3.08Å
36	T	97.8	Very high	95.8	Very high	67 Å²	67	58.6 Å²	58.6	41%	0.411	39%	0.388	S	S	.	.			trans	-106.9	120	176.9	-59.9	0	0	0	0	109.9	K102 L103	T36-K102 HydrophobicContact CG2-CB 4.19Å; T36-L103 CarbonylContact C-O 3.56Å; T36-L103 VanDerWaalsContact CA-O 3.31Å; T36-L103 WeakPolarHBondContact CA-O 3.35Å
37	L	98.1	Very high	95.6	Very high	11 Å²	11	57.9 Å²	57.9	6%	0.058	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.3	166.2	169.2	63.2	0	0	0	108.6	S28 V31 L39 K102 L103 V106 Y114	S28-L37 WeakPolarHBondContact O-CD1 3.2Å; S28-L37 VanDerWaalsContact OG-CD1 3.23Å; S28-L37 WeakPolarHBondContact OG-CD1 3.15Å; V31-L37 HydrophobicContact CG2-CB 4.38Å; L37-L39 HydrophobicContact CD1-CD1 4.41Å; L37-L39 HydrophobicContact CD1-CD2 3.72Å; L37-L39 HydrophobicContact CD1-CG 3.89Å; L37-L39 HydrophobicContact CD2-CD1 4.23Å; L37-L39 HydrophobicContact CD2-CG 4.46Å; L37-L39 HydrophobicContact CG-CD1 4.36Å; L37-L39 HydrophobicContact CG-CD2 4.43Å; L37-L39 HydrophobicContact CG-CG 4.05Å; L37-K102 WeakPolarHBondContact O-CA 3.3Å; L37-L103 HydrophobicContact CB-CB 4.27Å; L37-L103 HydrophobicContact CD2-CD2 4.35Å; L37-L103 PolarHBondContact N-O 3.08Å; L37-L103 PolarHBondContact O-N 2.95Å; L37-V106 HydrophobicContact CB-CG1 3.77Å; L37-Y114 HydrophobicContact CD2-CD2 4.27Å; L37-Y114 HydrophobicContact CD2-CE1 4Å; L37-Y114 HydrophobicContact CD2-CE2 3.69Å
38	S	98.4	Very high	95.6	Very high	49 Å²	49	55.4 Å²	55.4	34%	0.343	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.7	176.2	-62.2	0	0	0	0	109.9	G27 S28 L101	G27-S38 VanDerWaalsContact CA-O 3.28Å; G27-S38 WeakPolarHBondContact CA-O 3.24Å; S28-S38 PolarHBondContact N-O 3.16Å; S28-S38 PolarHBondContact OG-N 2.9Å; S28-S38 VanDerWaalsContact OG-N 3.12Å; S28-S38 PolarHBondContact OG-O 3.19Å; S38-L101 WeakPolarHBondContact CA-O 3.33Å
39	L	98.6	Very high	95.8	Very high	19 Å²	19	55.7 Å²	55.7	10%	0.099	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	150.9	179.2	-57.6	177.4	0	0	0	110.5	S26 L37 W57 S100 L101 Y114	S26-L39 CarbonylContact O-C 3.59Å; S26-L39 WeakPolarHBondContact O-CA 3.1Å; L37-L39 HydrophobicContact CD1-CD1 4.41Å; L37-L39 HydrophobicContact CD1-CD2 3.72Å; L37-L39 HydrophobicContact CD1-CG 3.89Å; L37-L39 HydrophobicContact CD2-CD1 4.23Å; L37-L39 HydrophobicContact CD2-CG 4.46Å; L37-L39 HydrophobicContact CG-CD1 4.36Å; L37-L39 HydrophobicContact CG-CD2 4.43Å; L37-L39 HydrophobicContact CG-CG 4.05Å; L39-W57 HydrophobicContact CB-CH2 3.7Å; L39-W57 HydrophobicContact CB-CZ2 4.23Å; L39-W57 HydrophobicContact CB-CZ3 4.05Å; L39-W57 HydrophobicContact CD1-CZ3 4.08Å; L39-S100 CarbonylContact O-C 3.46Å; L39-S100 WeakPolarHBondContact O-CA 3.46Å; L39-S100 WeakPolarHBondContact O-CB 3.43Å; L39-L101 HydrophobicContact CB-CB 4.36Å; L39-L101 HydrophobicContact CD1-CD2 4.26Å; L39-L101 PolarHBondContact N-O 3.08Å; L39-L101 PolarHBondContact O-N 2.83Å; L39-Y114 HydrophobicContact CD1-CD1 3.71Å; L39-Y114 HydrophobicContact CD1-CD2 4.06Å; L39-Y114 HydrophobicContact CD1-CG 3.44Å; L39-Y114 VanDerWaalsContact CD1-CG 3.44Å
40	T	98.6	Very high	95.8	Very high	34 Å²	34	54.7 Å²	54.7	21%	0.209	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.1	178	-62.3	0	0	0	0	109	E25 S26 Q98 S100	E25-T40 CarbonylContact C-O 3.48Å; E25-T40 WeakPolarHBondContact CA-O 3.26Å; S26-T40 PolarHBondContact N-O 3.02Å; S26-T40 PolarHBondContact O-N 3.3Å; S26-T40 PolarHBondContact OG-O 3.38Å; T40-Q98 HydrophobicContact CG2-CB 4.05Å; T40-Q98 HydrophobicContact CG2-CG 4.01Å; T40-Q98 VanDerWaalsContact CG2-OE1 3.25Å; T40-S100 PolarHBondContact OG1-OG 2.88Å
41	C	98.5	Very high	95.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	119.2	172.1	-179.5	0	0	0	0	109.1	Q24 W57 Q98 F99 C116	Q24-C41 WeakPolarHBondContact O-CA 3.31Å; C41-W57 HydrophobicContact CB-CH2 3.85Å; C41-W57 HydrophobicContact CB-CZ2 3.73Å; C41-Q98 VanDerWaalsContact O-CA 3.3Å; C41-Q98 WeakPolarHBondContact O-CA 3.48Å; C41-F99 HydrophobicContact CB-CD1 3.97Å; C41-F99 HydrophobicContact CB-CE1 3.57Å; C41-F99 HydrophobicContact CB-CE2 4.24Å; C41-F99 HydrophobicContact CB-CG 4.48Å; C41-F99 HydrophobicContact CB-CZ 3.75Å; C41-F99 PolarHBondContact N-O 3.37Å; C41-F99 PolarHBondContact O-N 3.39Å; C41-F99 VanDerWaalsContact O-N 3.09Å; C41-F99 WeakPolarHBondContact SG-CE1 3.37Å; C41-C116 HydrophobicContact CB-CB 3.37Å; C41-C116 WeakPolarHBondContact CB-SG 3.45Å; C41-C116 WeakPolarHBondContact SG-CB 3.45Å; C41-C116 CovalentContact SG-SG 2.03Å; C41-C116 PolarHBondContact SG-SG 3.1Å
42	A	98.3	Very high	95	Very high	31 Å²	31	49.5 Å²	49.5	26%	0.256	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.8	173.7	0	0	0	0	0	110.7	L23 Q24 Q98	L23-A42 WeakPolarHBondContact CA-O 3.4Å; Q24-A42 PolarHBondContact N-O 2.93Å; Q24-A42 PolarHBondContact O-N 3.12Å; A42-Q98 HydrophobicContact CB-CG 3.92Å
43	V	97.5	Very high	95	Very high	10 Å²	10	47 Å²	47	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.8	178.5	-176.5	0	0	0	0	108.9	L21 L23 I48 W55 N97 F99	L21-V43 HydrophobicContact CD1-CG1 3.59Å; L23-V43 HydrophobicContact CD2-CB 4.3Å; L23-V43 HydrophobicContact CD2-CG1 4.26Å; L23-V43 HydrophobicContact CD2-CG2 3.67Å; V43-I48 HydrophobicContact CB-CD1 4.38Å; V43-I48 HydrophobicContact CB-CG1 3.97Å; V43-I48 HydrophobicContact CG1-CG1 4.41Å; V43-I48 HydrophobicContact CG2-CD1 3.72Å; V43-I48 HydrophobicContact CG2-CG1 3.53Å; V43-W55 HydrophobicContact CG1-CH2 3.88Å; V43-W55 HydrophobicContact CG1-CZ3 4.2Å; V43-W55 HydrophobicContact CG2-CE3 4.28Å; V43-W55 HydrophobicContact CG2-CH2 4.26Å; V43-W55 HydrophobicContact CG2-CZ3 3.96Å; V43-N97 WeakPolarHBondContact CB-O 3.23Å; V43-N97 PolarHBondContact N-O 3.39Å; V43-N97 PolarHBondContact O-ND2 2.97Å; V43-F99 HydrophobicContact CG2-CD1 4.33Å; V43-F99 HydrophobicContact CG2-CE1 4.18Å
44	S	95.9	Very high	95	Very high	52 Å²	52	43.6 Å²	43.6	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.1	173.5	62.6	0	0	0	0	110.9	L21 Q22 G46	L21-S44 WeakPolarHBondContact CA-O 3.33Å; Q22-S44 WeakPolarHBondContact CB-OG 3.28Å; Q22-S44 PolarHBondContact N-O 3.41Å; Q22-S44 PolarHBondContact O-N 2.95Å; S44-G46 PolarHBondContact O-N 2.75Å; S44-G46 VanDerWaalsContact O-N 3.17Å
45	G	93.3	Very high	95.1	Very high	35 Å²	35	38.9 Å²	38.9	36%	0.361	27%	0.269	S	S	.	.	S	Bend	trans	68.4	7.5	-172.4	0	0	0	0	0	114.8	S19	S19-G45 WeakPolarHBondContact OG-CA 3.49Å; S19-G45 PolarHBondContact OG-O 3.26Å
46	G	91.6	Very high	95.1	Very high	35 Å²	35	35 Å²	35	36%	0.361	25%	0.253	S	S	.	.	S	Bend	trans	-167.8	178.7	177.7	0	0	0	0	0	111.4	S44 N97	S44-G46 PolarHBondContact O-N 2.75Å; S44-G46 VanDerWaalsContact O-N 3.17Å; G46-N97 PolarHBondContact O-ND2 3.03Å
47	S	93.9	Very high	95.2	Very high	49 Å²	49	31.9 Å²	31.9	34%	0.343	23%	0.233	S	C	.	.			trans	-119.9	135.2	177.2	-178.1	0	0	0	0	111.5	S49 S50 N97	S47-S49 PolarHBondContact O-N 2.82Å; S47-S49 PolarHBondContact OG-N 2.77Å; S47-S50 PolarHBondContact O-N 3.28Å; S47-S50 VanDerWaalsContact O-N 3.1Å; S47-S50 PolarHBondContact O-OG 2.79Å; S47-N97 WeakPolarHBondContact CA-OD1 3.37Å
48	I	94.7	Very high	95.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.5	170.6	-72	-176.9	0	0	0	111.7	V43 S50 W55 H74 V92 N97 Q98 F99	V43-I48 HydrophobicContact CB-CD1 4.38Å; V43-I48 HydrophobicContact CB-CG1 3.97Å; V43-I48 HydrophobicContact CG1-CG1 4.41Å; V43-I48 HydrophobicContact CG2-CD1 3.72Å; V43-I48 HydrophobicContact CG2-CG1 3.53Å; I48-S50 VanDerWaalsContact C-N 3.28Å; I48-S50 PolarHBondContact O-N 2.81Å; I48-W55 HydrophobicContact CB-CZ2 4.34Å; I48-W55 HydrophobicContact CG1-CD2 4.4Å; I48-W55 HydrophobicContact CG1-CZ2 4.1Å; I48-W55 PolarHBondContact O-NE1 2.74Å; I48-H74 HydrophobicContact CG2-CB 4.19Å; I48-H74 VanDerWaalsContact O-CB 3.32Å; I48-H74 WeakPolarHBondContact O-CB 3.43Å; I48-V92 HydrophobicContact CD1-CG2 4.38Å; I48-V92 HydrophobicContact CG2-CG2 3.56Å; I48-N97 PolarHBondContact N-OD1 3.43Å; I48-Q98 VanDerWaalsContact CD1-N 3.3Å; I48-Q98 WeakPolarHBondContact CD1-O 3.45Å; I48-F99 HydrophobicContact CD1-CB 4.41Å; I48-F99 HydrophobicContact CD1-CD1 3.96Å
49	S	93.3	Very high	95.2	Very high	47 Å²	47	31.5 Å²	31.5	33%	0.329	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.6	-176	-56.5	0	0	0	0	113.8	S47	S47-S49 PolarHBondContact O-N 2.82Å; S47-S49 PolarHBondContact OG-N 2.77Å
50	S	87.8	Confident	95.2	Very high	53 Å²	53	34 Å²	34	37%	0.371	24%	0.237	S	C	.	.	S	Bend	trans	-92.3	145.9	-178.7	67.6	0	0	0	0	112.1	S47 I48 G52 Y53	S47-S50 PolarHBondContact O-N 3.28Å; S47-S50 VanDerWaalsContact O-N 3.1Å; S47-S50 PolarHBondContact O-OG 2.79Å; I48-S50 VanDerWaalsContact C-N 3.28Å; I48-S50 PolarHBondContact O-N 2.81Å; S50-G52 VanDerWaalsContact C-N 3.33Å; S50-G52 PolarHBondContact O-N 2.82Å; S50-Y53 WeakPolarHBondContact O-CD2 3.23Å
51	G	83.7	Confident	95.1	Very high	60 Å²	60	33 Å²	33	62%	0.619	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	10.7	162.2	0	0	0	0	0	117.8	Y53	G51-Y53 PolarHBondContact O-N 3.35Å; G51-Y53 VanDerWaalsContact O-N 3.1Å
52	G	89.7	Confident	95.1	Very high	42 Å²	42	37.8 Å²	37.8	43%	0.433	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	18.8	175.8	0	0	0	0	0	114.5	S50 Y73	S50-G52 VanDerWaalsContact C-N 3.33Å; S50-G52 PolarHBondContact O-N 2.82Å; G52-Y73 WeakPolarHBondContact O-CD1 3.41Å; G52-Y73 WeakPolarHBondContact O-CE1 3.44Å
53	Y	94.6	Very high	95	Very high	98 Å²	98	40.8 Å²	40.8	38%	0.384	30%	0.296	S	S	.	.			trans	-67.9	146.4	-176.8	-57.3	-65.7	0	0	0	112	S50 G51 R118	S50-Y53 WeakPolarHBondContact O-CD2 3.23Å; G51-Y53 PolarHBondContact O-N 3.35Å; G51-Y53 VanDerWaalsContact O-N 3.1Å; Y53-R118 HydrophobicContact CD1-CG 4.42Å; Y53-R118 VanDerWaalsContact CE2-NH1 3.29Å; Y53-R118 HydrophobicContact CG-CG 4.05Å
54	S	96.6	Very high	95	Very high	29 Å²	29	47.4 Å²	47.4	20%	0.203	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.9	164.9	53.9	0	0	0	0	109.6
55	W	98.1	Very high	95.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.5	179.7	-59.6	94.7	0	0	0	108.1	L21 L23 V43 I48 Y71 I72 F99 A117 R118	L21-W55 HydrophobicContact CD1-CH2 4.31Å; L21-W55 HydrophobicContact CD2-CH2 4.47Å; L23-W55 HydrophobicContact CD2-CE3 4.42Å; L23-W55 HydrophobicContact CD2-CZ3 3.89Å; V43-W55 HydrophobicContact CG1-CH2 3.88Å; V43-W55 HydrophobicContact CG1-CZ3 4.2Å; V43-W55 HydrophobicContact CG2-CE3 4.28Å; V43-W55 HydrophobicContact CG2-CH2 4.26Å; V43-W55 HydrophobicContact CG2-CZ3 3.96Å; I48-W55 HydrophobicContact CB-CZ2 4.34Å; I48-W55 HydrophobicContact CG1-CD2 4.4Å; I48-W55 HydrophobicContact CG1-CZ2 4.1Å; I48-W55 PolarHBondContact O-NE1 2.74Å; W55-Y71 CarbonylContact O-C 3.53Å; W55-Y71 VanDerWaalsContact O-CA 3.23Å; W55-Y71 WeakPolarHBondContact O-CA 3.02Å; W55-I72 HydrophobicContact CB-CG2 4.13Å; W55-I72 PolarHBondContact N-O 2.77Å; W55-I72 PolarHBondContact O-N 2.99Å; W55-F99 HydrophobicContact CB-CD1 3.98Å; W55-F99 HydrophobicContact CB-CD2 3.96Å; W55-F99 HydrophobicContact CB-CE1 3.8Å; W55-F99 HydrophobicContact CB-CE2 3.78Å; W55-F99 HydrophobicContact CB-CG 4.04Å; W55-F99 HydrophobicContact CB-CZ 3.65Å; W55-F99 HydrophobicContact CD2-CE1 4.24Å; W55-F99 AromaticContact CE3-CE1 3.9Å; W55-F99 HydrophobicContact CE3-CE1 3.9Å; W55-F99 HydrophobicContact CE3-CZ 4.36Å; W55-F99 HydrophobicContact CG-CD1 4.35Å; W55-F99 HydrophobicContact CG-CE1 4.24Å; W55-A117 CarbonylContact C-O 3.58Å; W55-R118 HydrophobicContact CD2-CG 4.31Å; W55-R118 HydrophobicContact CE3-CB 3.79Å; W55-R118 HydrophobicContact CE3-CG 3.88Å; W55-R118 HydrophobicContact CH2-CB 4.26Å; W55-R118 HydrophobicContact CH2-CG 3.88Å; W55-R118 HydrophobicContact CZ2-CG 4.22Å; W55-R118 HydrophobicContact CZ3-CB 3.57Å; W55-R118 HydrophobicContact CZ3-CG 3.65Å
56	S	98.5	Very high	95.3	Very high	15 Å²	15	51.3 Å²	51.3	11%	0.105	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	149.8	-166.7	-64	0	0	0	0	112.3	G70 Y71 C116 A117	S56-G70 WeakPolarHBondContact CA-O 3.35Å; S56-Y71 WeakPolarHBondContact OG-CB 2.96Å; S56-C116 WeakPolarHBondContact O-CA 3.46Å; S56-A117 PolarHBondContact N-O 2.72Å; S56-A117 PolarHBondContact O-N 2.96Å
57	W	98.8	Very high	95.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.3	165.3	-76.8	98.8	0	0	0	109.9	E25 L39 C41 I69 G70 F99 L101 C116	E25-W57 HydrophobicContact CG-CH2 4.47Å; E25-W57 HydrophobicContact CG-CZ3 4.19Å; L39-W57 HydrophobicContact CB-CH2 3.7Å; L39-W57 HydrophobicContact CB-CZ2 4.23Å; L39-W57 HydrophobicContact CB-CZ3 4.05Å; L39-W57 HydrophobicContact CD1-CZ3 4.08Å; C41-W57 HydrophobicContact CB-CH2 3.85Å; C41-W57 HydrophobicContact CB-CZ2 3.73Å; W57-I69 HydrophobicContact CB-CB 4.18Å; W57-I69 HydrophobicContact CB-CD1 4.26Å; W57-I69 WeakPolarHBondContact O-CB 3.47Å; W57-I69 PolarHBondContact O-N 2.91Å; W57-G70 PolarHBondContact N-O 2.9Å; W57-F99 AromaticContact CD1-CD2 3.93Å; W57-F99 AromaticContact CD1-CE2 3.76Å; W57-F99 HydrophobicContact CD2-CE2 4.45Å; W57-F99 AromaticContact CE2-CE2 3.83Å; W57-F99 HydrophobicContact CG-CE2 4.43Å; W57-F99 HydrophobicContact CZ2-CD2 4.48Å; W57-F99 HydrophobicContact CZ2-CE2 4.36Å; W57-F99 AromaticContact NE1-CD2 3.29Å; W57-F99 VanDerWaalsContact NE1-CD2 3.29Å; W57-F99 AromaticContact NE1-CE2 3.35Å; W57-L101 HydrophobicContact CB-CD1 4.39Å; W57-L101 HydrophobicContact CB-CD2 4.27Å; W57-L101 HydrophobicContact CD2-CB 3.77Å; W57-L101 HydrophobicContact CD2-CD2 4.17Å; W57-L101 HydrophobicContact CD2-CG 4.49Å; W57-L101 HydrophobicContact CE3-CB 4.45Å; W57-L101 HydrophobicContact CE3-CD2 4.34Å; W57-L101 HydrophobicContact CG-CB 3.89Å; W57-L101 HydrophobicContact CG-CD1 4.25Å; W57-L101 HydrophobicContact CG-CD2 4.15Å; W57-L101 HydrophobicContact CG-CG 4.33Å; W57-L101 HydrophobicContact CZ2-CB 4.14Å; W57-C116 HydrophobicContact CE3-CB 4.29Å; W57-C116 HydrophobicContact CH2-CB 4.27Å; W57-C116 HydrophobicContact CZ3-CB 4.15Å
58	I	98.6	Very high	95.8	Very high	37 Å²	37	53.6 Å²	53.6	19%	0.19	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.4	-179.7	-58.1	169.8	0	0	0	107.2	L66 Y114 Y115 A117	I58-L66 HydrophobicContact CG2-CB 3.84Å; I58-L66 HydrophobicContact CG2-CD2 3.89Å; I58-L66 HydrophobicContact CG2-CG 4.29Å; I58-Y114 WeakPolarHBondContact O-CA 3.32Å; I58-Y115 PolarHBondContact N-O 3.2Å; I58-Y115 PolarHBondContact O-N 2.85Å; I58-A117 HydrophobicContact CD1-CB 3.98Å
59	R	97.9	Very high	96	Very high	16 Å²	16	53.8 Å²	53.8	6%	0.06	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152.2	170	65.2	-180	-171.3	178.8	4.4	112.1	E67 I69 D110 A112 V113 Y114	R59-E67 HydrophobicContact CG-CB 4.06Å; R59-E67 IonicContact CZ-OE2 3.55Å; R59-E67 PolarHBondContact N-O 3.17Å; R59-E67 IonicContact NE-OE2 3.67Å; R59-E67 PolarHBondContact NE-OE2 3.3Å; R59-E67 IonicContact NH2-OE1 3.41Å; R59-E67 PolarHBondContact NH2-OE1 2.81Å; R59-E67 IonicContact NH2-OE2 2.75Å; R59-E67 PolarHBondContact NH2-OE2 2.89Å; R59-E67 PolarHBondContact O-N 2.03Å; R59-I69 HydrophobicContact CB-CD1 3.91Å; R59-I69 HydrophobicContact CB-CG1 4.48Å; R59-I69 HydrophobicContact CG-CD1 3.99Å; R59-I69 HydrophobicContact CG-CG1 4.08Å; R59-D110 IonicContact CZ-OD1 2.72Å; R59-D110 IonicContact NH1-OD1 3.37Å; R59-D110 PolarHBondContact NH1-OD1 2.84Å; R59-A112 HydrophobicContact CB-CB 3.81Å; R59-A112 HydrophobicContact CG-CB 4.38Å; R59-V113 CarbonylContact C-O 3.56Å; R59-V113 VanDerWaalsContact CA-O 3.24Å; R59-V113 WeakPolarHBondContact CA-O 3.23Å; R59-Y114 HydrophobicContact CB-CD1 3.85Å; R59-Y114 HydrophobicContact CB-CE1 3.79Å; R59-Y114 HydrophobicContact CB-CG 4.3Å
60	Q	98.4	Very high	96.3	Very high	72 Å²	72	51.5 Å²	51.5	34%	0.336	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	98.5	173.8	-166	174.3	14.1	0	0	110.1	L66 A112 V113 Y115	Q60-L66 HydrophobicContact CB-CD2 3.91Å; Q60-L66 HydrophobicContact CG-CD2 4.16Å; Q60-A112 VanDerWaalsContact O-CA 3.3Å; Q60-A112 WeakPolarHBondContact O-CA 3.08Å; Q60-A112 WeakPolarHBondContact O-CB 3.36Å; Q60-V113 PolarHBondContact N-O 3.42Å; Q60-V113 PolarHBondContact O-N 3.4Å; Q60-Y115 HydrophobicContact CB-CE2 3.88Å
61	P	97.7	Very high	96.8	Very high	13 Å²	13	51.7 Å²	51.7	8%	0.084	32%	0.315	C	S	.	.			trans	-64.5	149.9	172.3	-18.8	31.4	0	0	0	111.3	G63 K64 A112	P61-G63 PolarHBondContact O-N 2.79Å; P61-K64 HydrophobicContact CB-CB 4.07Å; P61-K64 HydrophobicContact CB-CD 4.03Å; P61-K64 HydrophobicContact CB-CG 4.24Å; P61-K64 HydrophobicContact CG-CB 4.35Å; P61-K64 HydrophobicContact CG-CD 4.33Å; P61-K64 PolarHBondContact O-N 2.8Å; P61-A112 HydrophobicContact CG-CB 4.36Å
62	P	97.4	Very high	97.5	Very high	100 Å²	100	49 Å²	49	65%	0.649	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	129.4	177.4	-25.2	33.1	0	0	0	112.2	K64 T111	P62-K64 PolarHBondContact O-N 2.89Å; P62-T111 WeakPolarHBondContact CD-O 3.23Å
63	G	97.8	Very high	97.9	Very high	94 Å²	94	50.8 Å²	50.8	97%	0.969	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	10.6	-179.6	0	0	0	0	0	115	P61	P61-G63 PolarHBondContact O-N 2.79Å
64	K	97	Very high	97.9	Very high	148 Å²	148	49.2 Å²	49.2	64%	0.643	28%	0.277	S	S	*	.	S	Bend	trans	-120.7	166.3	177.4	-59.9	-168.7	-178.1	179.3	0	111.7	P61 P62	P61-K64 HydrophobicContact CB-CB 4.07Å; P61-K64 HydrophobicContact CB-CD 4.03Å; P61-K64 HydrophobicContact CB-CG 4.24Å; P61-K64 HydrophobicContact CG-CB 4.35Å; P61-K64 HydrophobicContact CG-CD 4.33Å; P61-K64 PolarHBondContact O-N 2.8Å; P62-K64 PolarHBondContact O-N 2.89Å
65	G	97.2	Very high	97.9	Very high	53 Å²	53	51.6 Å²	51.6	55%	0.546	29%	0.294	S	S	.	.			trans	-73.1	179.8	172.2	0	0	0	0	0	113.1
66	L	98.1	Very high	97.8	Very high	117 Å²	117	53.4 Å²	53.4	61%	0.613	31%	0.312	S	S	*	.			trans	-68.1	134.5	173.3	-62.5	175.4	0	0	0	110.6	I58 Q60 Y115	I58-L66 HydrophobicContact CG2-CB 3.84Å; I58-L66 HydrophobicContact CG2-CD2 3.89Å; I58-L66 HydrophobicContact CG2-CG 4.29Å; Q60-L66 HydrophobicContact CB-CD2 3.91Å; Q60-L66 HydrophobicContact CG-CD2 4.16Å; L66-Y115 HydrophobicContact CD2-CD2 4.33Å; L66-Y115 HydrophobicContact CD2-CE2 4.32Å
67	E	98.2	Very high	97.7	Very high	55 Å²	55	56 Å²	56	26%	0.257	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.3	173.1	-176	-177.4	-172.1	0	0	108.8	R59	R59-E67 HydrophobicContact CG-CB 4.06Å; R59-E67 IonicContact CZ-OE2 3.55Å; R59-E67 PolarHBondContact N-O 3.17Å; R59-E67 IonicContact NE-OE2 3.67Å; R59-E67 PolarHBondContact NE-OE2 3.3Å; R59-E67 IonicContact NH2-OE1 3.41Å; R59-E67 PolarHBondContact NH2-OE1 2.81Å; R59-E67 IonicContact NH2-OE2 2.75Å; R59-E67 PolarHBondContact NH2-OE2 2.89Å; R59-E67 PolarHBondContact O-N 2.03Å
68	W	98.5	Very high	97.7	Very high	77 Å²	77	58.5 Å²	58.5	29%	0.292	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.8	175.7	176.5	79.6	0	0	0	110.4	Y71 Y79 N81	W68-Y71 HydrophobicContact CH2-CD1 4.46Å; W68-Y71 AromaticContact CZ2-CD1 3.56Å; W68-Y71 HydrophobicContact CZ2-CD1 3.56Å; W68-Y71 HydrophobicContact CZ2-CE1 4.24Å; W68-Y71 HydrophobicContact CZ2-CG 4.31Å; W68-Y79 AromaticContact CH2-CD1 3.27Å; W68-Y79 HydrophobicContact CH2-CD1 3.27Å; W68-Y79 AromaticContact CH2-CE1 3.78Å; W68-Y79 HydrophobicContact CH2-CE1 3.78Å; W68-Y79 HydrophobicContact CH2-CG 4.23Å; W68-Y79 HydrophobicContact CZ2-CD1 4.04Å; W68-Y79 HydrophobicContact CZ3-CD1 4.03Å; W68-Y79 HydrophobicContact CZ3-CE1 4.06Å; W68-N81 HydrophobicContact CE3-CB 3.89Å; W68-N81 HydrophobicContact CZ3-CB 3.88Å; W68-N81 VanDerWaalsContact O-CB 3.3Å; W68-N81 WeakPolarHBondContact O-CB 3.39Å; W68-N81 PolarHBondContact O-ND2 2.82Å
69	I	98.6	Very high	97.7	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-46.7	-177.2	-64.3	170.5	0	0	0	111.3	W57 R59 N81 L84 V88 L101 Y114	W57-I69 HydrophobicContact CB-CB 4.18Å; W57-I69 HydrophobicContact CB-CD1 4.26Å; W57-I69 WeakPolarHBondContact O-CB 3.47Å; W57-I69 PolarHBondContact O-N 2.91Å; R59-I69 HydrophobicContact CB-CD1 3.91Å; R59-I69 HydrophobicContact CB-CG1 4.48Å; R59-I69 HydrophobicContact CG-CD1 3.99Å; R59-I69 HydrophobicContact CG-CG1 4.08Å; I69-N81 WeakPolarHBondContact O-CB 3.41Å; I69-N81 PolarHBondContact O-N 2.98Å; I69-L84 HydrophobicContact CB-CD1 4.39Å; I69-L84 HydrophobicContact CG1-CD1 3.98Å; I69-L84 HydrophobicContact CG2-CD1 4.28Å; I69-V88 HydrophobicContact CG2-CB 4.44Å; I69-V88 HydrophobicContact CG2-CG1 3.82Å; I69-V88 HydrophobicContact CG2-CG2 3.86Å; I69-L101 HydrophobicContact CD1-CD2 3.94Å; I69-L101 HydrophobicContact CG2-CD1 3.94Å; I69-Y114 HydrophobicContact CD1-CD1 3.75Å; I69-Y114 HydrophobicContact CD1-CE1 3.66Å
70	G	98.6	Very high	97.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.8	166.9	-168.4	0	0	0	0	0	111.7	S56 W57 Y79 I90	S56-G70 WeakPolarHBondContact CA-O 3.35Å; W57-G70 PolarHBondContact N-O 2.9Å; G70-Y79 CarbonylContact C-O 3.46Å; G70-Y79 WeakPolarHBondContact CA-O 3.17Å; G70-I90 VanDerWaalsContact C-CD1 3.42Å
71	Y	98.5	Very high	97.7	Very high	57 Å²	57	61.7 Å²	61.7	22%	0.224	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.2	170.8	70.5	-114.2	0	0	0	111.9	W55 S56 W68 Y73 T78 Y79	W55-Y71 CarbonylContact O-C 3.53Å; W55-Y71 VanDerWaalsContact O-CA 3.23Å; W55-Y71 WeakPolarHBondContact O-CA 3.02Å; S56-Y71 WeakPolarHBondContact OG-CB 2.96Å; W68-Y71 HydrophobicContact CH2-CD1 4.46Å; W68-Y71 AromaticContact CZ2-CD1 3.56Å; W68-Y71 HydrophobicContact CZ2-CD1 3.56Å; W68-Y71 HydrophobicContact CZ2-CE1 4.24Å; W68-Y71 HydrophobicContact CZ2-CG 4.31Å; Y71-Y73 HydrophobicContact CD2-CD2 4.17Å; Y71-Y73 HydrophobicContact CD2-CE2 4.01Å; Y71-Y73 AromaticContact CE2-CD2 3.67Å; Y71-Y73 HydrophobicContact CE2-CD2 3.67Å; Y71-Y73 AromaticContact CE2-CE2 3.22Å; Y71-Y73 HydrophobicContact CE2-CE2 3.22Å; Y71-Y73 AromaticContact CE2-CZ 3.92Å; Y71-Y73 AromaticContact CZ-CE2 3.87Å; Y71-T78 VanDerWaalsContact O-CA 3.26Å; Y71-T78 WeakPolarHBondContact O-CA 3.37Å; Y71-Y79 AromaticContact CE1-CD1 3.95Å; Y71-Y79 HydrophobicContact CE1-CD1 3.95Å; Y71-Y79 HydrophobicContact CE1-CG 4.11Å; Y71-Y79 PolarHBondContact N-O 3.34Å; Y71-Y79 PolarHBondContact O-N 3.3Å; Y71-Y79 VanDerWaalsContact O-N 3.09Å; Y71-Y79 WeakPolarHBondContact OH-CB 3.29Å
72	I	98.5	Very high	97.7	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.015	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.3	170.1	-173.8	155.8	0	0	0	110.7	W55 S77 T78 I90 V92 F99	W55-I72 HydrophobicContact CB-CG2 4.13Å; W55-I72 PolarHBondContact N-O 2.77Å; W55-I72 PolarHBondContact O-N 2.99Å; I72-S77 CarbonylContact C-O 3.6Å; I72-S77 WeakPolarHBondContact CA-O 3.47Å; I72-T78 HydrophobicContact CB-CG2 3.97Å; I72-T78 HydrophobicContact CD1-CG2 3.73Å; I72-T78 HydrophobicContact CG1-CG2 3.81Å; I72-I90 HydrophobicContact CB-CB 4.49Å; I72-I90 HydrophobicContact CB-CG2 3.62Å; I72-I90 HydrophobicContact CD1-CG2 4.29Å; I72-I90 HydrophobicContact CG2-CG2 3.44Å; I72-I90 VanDerWaalsContact CG2-CG2 3.44Å; I72-V92 HydrophobicContact CD1-CB 3.86Å; I72-V92 HydrophobicContact CD1-CG1 3.87Å; I72-V92 HydrophobicContact CG1-CB 4.33Å; I72-V92 HydrophobicContact CG1-CG1 4.36Å; I72-F99 HydrophobicContact CG2-CB 4.19Å; I72-F99 HydrophobicContact CG2-CD2 4.18Å; I72-F99 HydrophobicContact CG2-CG 4.46Å
73	Y	97.4	Very high	97.7	Very high	80 Å²	80	65.5 Å²	65.5	31%	0.314	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	159.2	165	-69.9	-76	0	0	0	110.4	G52 Y71 S75 G76 S77	G52-Y73 WeakPolarHBondContact O-CD1 3.41Å; G52-Y73 WeakPolarHBondContact O-CE1 3.44Å; Y71-Y73 HydrophobicContact CD2-CD2 4.17Å; Y71-Y73 HydrophobicContact CD2-CE2 4.01Å; Y71-Y73 AromaticContact CE2-CD2 3.67Å; Y71-Y73 HydrophobicContact CE2-CD2 3.67Å; Y71-Y73 AromaticContact CE2-CE2 3.22Å; Y71-Y73 HydrophobicContact CE2-CE2 3.22Å; Y71-Y73 AromaticContact CE2-CZ 3.92Å; Y71-Y73 AromaticContact CZ-CE2 3.87Å; Y73-S75 WeakPolarHBondContact CB-OG 3.43Å; Y73-S75 PolarHBondContact O-N 3.2Å; Y73-G76 PolarHBondContact O-N 2.89Å; Y73-S77 PolarHBondContact N-O 2.91Å
74	H	95.7	Very high	97.6	Very high	64 Å²	64	61.3 Å²	61.3	30%	0.296	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21	174.8	71.4	82.3	0	0	0	114	I48 G76	I48-H74 HydrophobicContact CG2-CB 4.19Å; I48-H74 VanDerWaalsContact O-CB 3.32Å; I48-H74 WeakPolarHBondContact O-CB 3.43Å; H74-G76 PolarHBondContact O-N 3.13Å
75	S	95.5	Very high	97.7	Very high	80 Å²	80	60.8 Å²	60.8	56%	0.559	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.9	172.5	59.3	0	0	0	0	113.5	Y73 S77	Y73-S75 WeakPolarHBondContact CB-OG 3.43Å; Y73-S75 PolarHBondContact O-N 3.2Å; S75-S77 PolarHBondContact OG-N 2.99Å; S75-S77 PolarHBondContact OG-OG 3.48Å
76	G	96.5	Very high	97.7	Very high	38 Å²	38	63.3 Å²	63.3	39%	0.392	35%	0.345	S	S	.	.	S	Bend	trans	90.1	-2.3	-173	0	0	0	0	0	114	Y73 H74 T78	Y73-G76 PolarHBondContact O-N 2.89Å; H74-G76 PolarHBondContact O-N 3.13Å; G76-T78 PolarHBondContact O-N 3.37Å
77	S	97.3	Very high	97.7	Very high	69 Å²	69	60.2 Å²	60.2	48%	0.483	33%	0.325	S	S	.	.			trans	-67.7	126.7	175.5	-57.6	0	0	0	0	110.7	I72 Y73 S75	I72-S77 CarbonylContact C-O 3.6Å; I72-S77 WeakPolarHBondContact CA-O 3.47Å; Y73-S77 PolarHBondContact N-O 2.91Å; S75-S77 PolarHBondContact OG-N 2.99Å; S75-S77 PolarHBondContact OG-OG 3.48Å
78	T	98.4	Very high	97.7	Very high	53 Å²	53	58 Å²	58	33%	0.325	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.9	-176.5	57	0	0	0	0	112.6	Y71 I72 G76 Y80	Y71-T78 VanDerWaalsContact O-CA 3.26Å; Y71-T78 WeakPolarHBondContact O-CA 3.37Å; I72-T78 HydrophobicContact CB-CG2 3.97Å; I72-T78 HydrophobicContact CD1-CG2 3.73Å; I72-T78 HydrophobicContact CG1-CG2 3.81Å; G76-T78 PolarHBondContact O-N 3.37Å; T78-Y80 WeakPolarHBondContact CB-OH 3.42Å; T78-Y80 VanDerWaalsContact OG1-CE2 3.23Å; T78-Y80 WeakPolarHBondContact OG1-CE2 3.5Å; T78-Y80 PolarHBondContact OG1-OH 2.86Å
79	Y	98.4	Very high	97.7	Very high	129 Å²	129	58 Å²	58	51%	0.506	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.5	166.6	-170.3	-110.2	0	0	0	109.2	W68 G70 Y71	W68-Y79 AromaticContact CH2-CD1 3.27Å; W68-Y79 HydrophobicContact CH2-CD1 3.27Å; W68-Y79 AromaticContact CH2-CE1 3.78Å; W68-Y79 HydrophobicContact CH2-CE1 3.78Å; W68-Y79 HydrophobicContact CH2-CG 4.23Å; W68-Y79 HydrophobicContact CZ2-CD1 4.04Å; W68-Y79 HydrophobicContact CZ3-CD1 4.03Å; W68-Y79 HydrophobicContact CZ3-CE1 4.06Å; G70-Y79 CarbonylContact C-O 3.46Å; G70-Y79 WeakPolarHBondContact CA-O 3.17Å; Y71-Y79 AromaticContact CE1-CD1 3.95Å; Y71-Y79 HydrophobicContact CE1-CD1 3.95Å; Y71-Y79 HydrophobicContact CE1-CG 4.11Å; Y71-Y79 PolarHBondContact N-O 3.34Å; Y71-Y79 PolarHBondContact O-N 3.3Å; Y71-Y79 VanDerWaalsContact O-N 3.09Å; Y71-Y79 WeakPolarHBondContact OH-CB 3.29Å
80	Y	98.7	Very high	97.7	Very high	37 Å²	37	58.3 Å²	58.3	15%	0.145	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.8	-171.9	-58.8	-77.2	0	0	0	110.9	T78 P82 K85 V88 I90	T78-Y80 WeakPolarHBondContact CB-OH 3.42Å; T78-Y80 VanDerWaalsContact OG1-CE2 3.23Å; T78-Y80 WeakPolarHBondContact OG1-CE2 3.5Å; T78-Y80 PolarHBondContact OG1-OH 2.86Å; Y80-P82 WeakPolarHBondContact O-CD 3.21Å; Y80-K85 HydrophobicContact CD2-CG 4.21Å; Y80-K85 HydrophobicContact CG-CG 4.35Å; Y80-V88 HydrophobicContact CD1-CB 4.31Å; Y80-V88 HydrophobicContact CD1-CG1 3.7Å; Y80-V88 HydrophobicContact CE1-CG1 3.75Å; Y80-I90 HydrophobicContact CD1-CD1 4.13Å; Y80-I90 HydrophobicContact CE1-CB 4.15Å; Y80-I90 HydrophobicContact CE1-CD1 3.84Å; Y80-I90 HydrophobicContact CE1-CG1 3.85Å; Y80-I90 PolarHBondContact OH-N 2.73Å
81	N	98.1	Very high	97.7	Very high	25 Å²	25	60.8 Å²	60.8	13%	0.134	34%	0.343	C	S	.	.			trans	-60.2	122.4	164.8	-177.8	-29.4	0	0	0	108.8	W68 I69 S83 L84 K85	W68-N81 HydrophobicContact CE3-CB 3.89Å; W68-N81 HydrophobicContact CZ3-CB 3.88Å; W68-N81 VanDerWaalsContact O-CB 3.3Å; W68-N81 WeakPolarHBondContact O-CB 3.39Å; W68-N81 PolarHBondContact O-ND2 2.82Å; I69-N81 WeakPolarHBondContact O-CB 3.41Å; I69-N81 PolarHBondContact O-N 2.98Å; N81-S83 PolarHBondContact O-N 2.86Å; N81-S83 VanDerWaalsContact O-N 3.1Å; N81-S83 WeakPolarHBondContact OD1-CB 3.14Å; N81-S83 PolarHBondContact OD1-N 3.18Å; N81-L84 PolarHBondContact O-N 3.3Å; N81-K85 PolarHBondContact O-N 3.34Å
82	P	98.1	Very high	97.6	Very high	99 Å²	99	59.9 Å²	59.9	64%	0.643	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-35.6	-178.3	-29.4	36.1	0	0	0	114	Y80 L84	Y80-P82 WeakPolarHBondContact O-CD 3.21Å; P82-L84 VanDerWaalsContact C-N 3.25Å; P82-L84 PolarHBondContact O-N 3.1Å
83	S	96.3	Very high	97.6	Very high	95 Å²	95	62.2 Å²	62.2	66%	0.664	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.3	-179.2	-58.9	0	0	0	0	114	N81	N81-S83 PolarHBondContact O-N 2.86Å; N81-S83 VanDerWaalsContact O-N 3.1Å; N81-S83 WeakPolarHBondContact OD1-CB 3.14Å; N81-S83 PolarHBondContact OD1-N 3.18Å
84	L	96.9	Very high	97.5	Very high	6 Å²	6	66.1 Å²	66.1	3%	0.031	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-12.1	-177.1	-62.4	175.1	0	0	0	113.3	I69 N81 P82 S86 R87 V88	I69-L84 HydrophobicContact CB-CD1 4.39Å; I69-L84 HydrophobicContact CG1-CD1 3.98Å; I69-L84 HydrophobicContact CG2-CD1 4.28Å; N81-L84 PolarHBondContact O-N 3.3Å; P82-L84 VanDerWaalsContact C-N 3.25Å; P82-L84 PolarHBondContact O-N 3.1Å; L84-S86 PolarHBondContact O-N 3.09Å; L84-R87 PolarHBondContact O-N 3Å; L84-V88 HydrophobicContact CB-CG2 3.84Å; L84-V88 WeakPolarHBondContact O-CG2 3.36Å; L84-V88 PolarHBondContact O-N 2.8Å; L84-V88 VanDerWaalsContact O-N 3.15Å
85	K	97.5	Very high	97.5	Very high	136 Å²	136	68.2 Å²	68.2	59%	0.591	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.5	-172.7	-175.7	175.4	-179.8	-179.1	0	114.3	Y80 N81 R87	Y80-K85 HydrophobicContact CD2-CG 4.21Å; Y80-K85 HydrophobicContact CG-CG 4.35Å; N81-K85 PolarHBondContact O-N 3.34Å; K85-R87 VanDerWaalsContact C-N 3.27Å; K85-R87 PolarHBondContact O-N 2.93Å
86	S	97.7	Very high	97.6	Very high	107 Å²	107	70.5 Å²	70.5	75%	0.748	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.7	-178.7	57.7	0	0	0	0	114.4	L84	L84-S86 PolarHBondContact O-N 3.09Å
87	R	97.7	Very high	97.6	Very high	52 Å²	52	70.2 Å²	70.2	20%	0.196	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	-11	-175.3	-59.6	-172.5	-61.6	132.9	1.5	113.6	L84 K85 L103 S104 S105 D110	L84-R87 PolarHBondContact O-N 3Å; K85-R87 VanDerWaalsContact C-N 3.27Å; K85-R87 PolarHBondContact O-N 2.93Å; R87-L103 HydrophobicContact CB-CD1 3.79Å; R87-L103 WeakPolarHBondContact O-CA 3.44Å; R87-S104 WeakPolarHBondContact CA-OG 3.47Å; R87-S104 PolarHBondContact NH1-O 3.32Å; R87-S104 PolarHBondContact O-N 2.97Å; R87-S104 PolarHBondContact O-OG 3.1Å; R87-S105 PolarHBondContact NH1-O 3.02Å; R87-D110 IonicContact CZ-OD1 3.15Å; R87-D110 IonicContact CZ-OD2 3.57Å; R87-D110 IonicContact NH1-OD1 2.74Å; R87-D110 IonicContact NH1-OD2 2.77Å; R87-D110 PolarHBondContact NH1-OD2 3.1Å; R87-D110 IonicContact NH2-OD1 3.35Å; R87-D110 PolarHBondContact NH2-OD1 2.71Å; R87-D110 IonicContact NH2-OD2 3.89Å; R87-D110 PolarHBondContact NH2-OD2 3.42Å
88	V	98.5	Very high	97.7	Very high	8 Å²	8	69.7 Å²	69.7	5%	0.048	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.5	-173.3	170.5	0	0	0	0	111.5	I69 Y80 L84 I90 L101 K102 L103	I69-V88 HydrophobicContact CG2-CB 4.44Å; I69-V88 HydrophobicContact CG2-CG1 3.82Å; I69-V88 HydrophobicContact CG2-CG2 3.86Å; Y80-V88 HydrophobicContact CD1-CB 4.31Å; Y80-V88 HydrophobicContact CD1-CG1 3.7Å; Y80-V88 HydrophobicContact CE1-CG1 3.75Å; L84-V88 HydrophobicContact CB-CG2 3.84Å; L84-V88 WeakPolarHBondContact O-CG2 3.36Å; L84-V88 PolarHBondContact O-N 2.8Å; L84-V88 VanDerWaalsContact O-N 3.15Å; V88-I90 HydrophobicContact CG1-CD1 4.4Å; V88-I90 HydrophobicContact CG1-CG1 4.06Å; V88-L101 HydrophobicContact CG1-CD1 3.51Å; V88-K102 CarbonylContact C-O 3.56Å; V88-K102 WeakPolarHBondContact CA-O 3.49Å; V88-L103 HydrophobicContact CG2-CD1 3.63Å
89	T	98.5	Very high	97.6	Very high	78 Å²	78	67.2 Å²	67.2	48%	0.479	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.8	166.5	-59.2	0	0	0	0	108.9	K102	T89-K102 PolarHBondContact N-O 2.97Å; T89-K102 PolarHBondContact O-N 3.3Å
90	I	98.6	Very high	97.7	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.041	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.9	173.2	-59.8	165.8	0	0	0	108.3	G70 I72 Y80 V88 S100 L101	G70-I90 VanDerWaalsContact C-CD1 3.42Å; I72-I90 HydrophobicContact CB-CB 4.49Å; I72-I90 HydrophobicContact CB-CG2 3.62Å; I72-I90 HydrophobicContact CD1-CG2 4.29Å; I72-I90 HydrophobicContact CG2-CG2 3.44Å; I72-I90 VanDerWaalsContact CG2-CG2 3.44Å; Y80-I90 HydrophobicContact CD1-CD1 4.13Å; Y80-I90 HydrophobicContact CE1-CB 4.15Å; Y80-I90 HydrophobicContact CE1-CD1 3.84Å; Y80-I90 HydrophobicContact CE1-CG1 3.85Å; Y80-I90 PolarHBondContact OH-N 2.73Å; V88-I90 HydrophobicContact CG1-CD1 4.4Å; V88-I90 HydrophobicContact CG1-CG1 4.06Å; I90-S100 CarbonylContact C-O 3.54Å; I90-S100 VanDerWaalsContact CA-O 3.3Å; I90-S100 WeakPolarHBondContact CA-O 3.43Å; I90-L101 HydrophobicContact CD1-CD1 4.35Å; I90-L101 HydrophobicContact CG1-CD1 3.69Å
91	S	98.2	Very high	97.7	Very high	52 Å²	52	60.6 Å²	60.6	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.2	-178.1	56.3	0	0	0	0	111.1	F99 S100	S91-F99 CarbonylContact O-C 3.48Å; S91-F99 VanDerWaalsContact O-CA 3.23Å; S91-F99 WeakPolarHBondContact O-CA 3.35Å; S91-F99 WeakPolarHBondContact O-CB 3.3Å; S91-S100 PolarHBondContact N-O 3.33Å; S91-S100 PolarHBondContact O-N 2.79Å
92	V	97.9	Very high	97.7	Very high	38 Å²	38	64.8 Å²	64.8	23%	0.23	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.9	-177.8	65.7	0	0	0	0	110.4	I48 I72 R94 F99	I48-V92 HydrophobicContact CD1-CG2 4.38Å; I48-V92 HydrophobicContact CG2-CG2 3.56Å; I72-V92 HydrophobicContact CD1-CB 3.86Å; I72-V92 HydrophobicContact CD1-CG1 3.87Å; I72-V92 HydrophobicContact CG1-CB 4.33Å; I72-V92 HydrophobicContact CG1-CG1 4.36Å; V92-R94 HydrophobicContact CG2-CG 4.27Å; V92-F99 HydrophobicContact CB-CB 4.45Å; V92-F99 HydrophobicContact CG2-CB 4.39Å
93	D	97.3	Very high	97.7	Very high	52 Å²	52	60.2 Å²	60.2	28%	0.278	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	93.9	171.8	-173.3	-18.9	0	0	0	108.7	S95 K96 N97 Q98	D93-S95 VanDerWaalsContact C-N 3.27Å; D93-S95 PolarHBondContact O-N 2.83Å; D93-S95 WeakPolarHBondContact OD1-CB 3.41Å; D93-S95 PolarHBondContact OD1-N 3Å; D93-S95 VanDerWaalsContact OD1-N 3.1Å; D93-S95 PolarHBondContact OD1-OG 2.9Å; D93-K96 HydrophobicContact CB-CB 4.41Å; D93-K96 PolarHBondContact O-N 2.93Å; D93-K96 PolarHBondContact OD1-N 2.76Å; D93-K96 WeakPolarHBondContact OD2-CD 3.3Å; D93-K96 VanDerWaalsContact OD2-CE 3.29Å; D93-K96 WeakPolarHBondContact OD2-CE 3.34Å; D93-K96 WeakPolarHBondContact OD2-CG 3.3Å; D93-K96 IonicContact OD2-NZ 2.82Å; D93-K96 PolarHBondContact OD2-NZ 3.43Å; D93-N97 PolarHBondContact O-N 2.62Å; D93-N97 VanDerWaalsContact O-N 3.1Å; D93-Q98 CarbonylContact C-O 3.52Å; D93-Q98 PolarHBondContact N-O 3.31Å; D93-Q98 PolarHBondContact O-N 3.23Å
94	R	95.7	Very high	97.7	Very high	163 Å²	163	57.7 Å²	57.7	62%	0.615	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-65.8	-30.6	-178.1	-59.6	-178.6	-61.3	141.3	1.6	112.4	V92 K96 N97	V92-R94 HydrophobicContact CG2-CG 4.27Å; R94-K96 VanDerWaalsContact C-N 3.25Å; R94-K96 PolarHBondContact O-N 2.94Å; R94-N97 PolarHBondContact O-N 3.15Å
95	S	95.8	Very high	97.8	Very high	108 Å²	108	60.6 Å²	60.6	76%	0.755	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-68	-30.5	-179.3	73.9	0	0	0	0	111.8	D93	D93-S95 VanDerWaalsContact C-N 3.27Å; D93-S95 PolarHBondContact O-N 2.83Å; D93-S95 WeakPolarHBondContact OD1-CB 3.41Å; D93-S95 PolarHBondContact OD1-N 3Å; D93-S95 VanDerWaalsContact OD1-N 3.1Å; D93-S95 PolarHBondContact OD1-OG 2.9Å
96	K	97.3	Very high	97.8	Very high	127 Å²	127	54.5 Å²	54.5	55%	0.552	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-100.1	1.3	177.5	-61.7	-175.9	-169	154.4	0	113.9	D93 R94 Q98	D93-K96 HydrophobicContact CB-CB 4.41Å; D93-K96 PolarHBondContact O-N 2.93Å; D93-K96 PolarHBondContact OD1-N 2.76Å; D93-K96 WeakPolarHBondContact OD2-CD 3.3Å; D93-K96 VanDerWaalsContact OD2-CE 3.29Å; D93-K96 WeakPolarHBondContact OD2-CE 3.34Å; D93-K96 WeakPolarHBondContact OD2-CG 3.3Å; D93-K96 IonicContact OD2-NZ 2.82Å; D93-K96 PolarHBondContact OD2-NZ 3.43Å; R94-K96 VanDerWaalsContact C-N 3.25Å; R94-K96 PolarHBondContact O-N 2.94Å; K96-Q98 HydrophobicContact CB-CB 4.29Å; K96-Q98 HydrophobicContact CB-CG 4.33Å; K96-Q98 WeakPolarHBondContact O-CG 3.41Å; K96-Q98 PolarHBondContact O-N 2.87Å; K96-Q98 PolarHBondContact O-NE2 3.1Å
97	N	97	Very high	97.7	Very high	32 Å²	32	52.8 Å²	52.8	17%	0.171	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	45.5	-173.5	-153.2	37.5	0	0	0	112.4	V43 G46 S47 I48 D93 R94	V43-N97 WeakPolarHBondContact CB-O 3.23Å; V43-N97 PolarHBondContact N-O 3.39Å; V43-N97 PolarHBondContact O-ND2 2.97Å; G46-N97 PolarHBondContact O-ND2 3.03Å; S47-N97 WeakPolarHBondContact CA-OD1 3.37Å; I48-N97 PolarHBondContact N-OD1 3.43Å; D93-N97 PolarHBondContact O-N 2.62Å; D93-N97 VanDerWaalsContact O-N 3.1Å; R94-N97 PolarHBondContact O-N 3.15Å
98	Q	98.3	Very high	97.6	Very high	59 Å²	59	54.6 Å²	54.6	28%	0.276	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.4	-174.6	-79.7	163.5	47.8	0	0	111.9	T40 C41 A42 I48 D93 K96	T40-Q98 HydrophobicContact CG2-CB 4.05Å; T40-Q98 HydrophobicContact CG2-CG 4.01Å; T40-Q98 VanDerWaalsContact CG2-OE1 3.25Å; C41-Q98 VanDerWaalsContact O-CA 3.3Å; C41-Q98 WeakPolarHBondContact O-CA 3.48Å; A42-Q98 HydrophobicContact CB-CG 3.92Å; I48-Q98 VanDerWaalsContact CD1-N 3.3Å; I48-Q98 WeakPolarHBondContact CD1-O 3.45Å; D93-Q98 CarbonylContact C-O 3.52Å; D93-Q98 PolarHBondContact N-O 3.31Å; D93-Q98 PolarHBondContact O-N 3.23Å; K96-Q98 HydrophobicContact CB-CB 4.29Å; K96-Q98 HydrophobicContact CB-CG 4.33Å; K96-Q98 WeakPolarHBondContact O-CG 3.41Å; K96-Q98 PolarHBondContact O-N 2.87Å; K96-Q98 PolarHBondContact O-NE2 3.1Å
99	F	98.2	Very high	97.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	153.1	165.5	67.4	-76.1	0	0	0	109.7	C41 V43 I48 W55 W57 I72 S91 V92 C116	C41-F99 HydrophobicContact CB-CD1 3.97Å; C41-F99 HydrophobicContact CB-CE1 3.57Å; C41-F99 HydrophobicContact CB-CE2 4.24Å; C41-F99 HydrophobicContact CB-CG 4.48Å; C41-F99 HydrophobicContact CB-CZ 3.75Å; C41-F99 PolarHBondContact N-O 3.37Å; C41-F99 PolarHBondContact O-N 3.39Å; C41-F99 VanDerWaalsContact O-N 3.09Å; C41-F99 WeakPolarHBondContact SG-CE1 3.37Å; V43-F99 HydrophobicContact CG2-CD1 4.33Å; V43-F99 HydrophobicContact CG2-CE1 4.18Å; I48-F99 HydrophobicContact CD1-CB 4.41Å; I48-F99 HydrophobicContact CD1-CD1 3.96Å; W55-F99 HydrophobicContact CB-CD1 3.98Å; W55-F99 HydrophobicContact CB-CD2 3.96Å; W55-F99 HydrophobicContact CB-CE1 3.8Å; W55-F99 HydrophobicContact CB-CE2 3.78Å; W55-F99 HydrophobicContact CB-CG 4.04Å; W55-F99 HydrophobicContact CB-CZ 3.65Å; W55-F99 HydrophobicContact CD2-CE1 4.24Å; W55-F99 AromaticContact CE3-CE1 3.9Å; W55-F99 HydrophobicContact CE3-CE1 3.9Å; W55-F99 HydrophobicContact CE3-CZ 4.36Å; W55-F99 HydrophobicContact CG-CD1 4.35Å; W55-F99 HydrophobicContact CG-CE1 4.24Å; W57-F99 AromaticContact CD1-CD2 3.93Å; W57-F99 AromaticContact CD1-CE2 3.76Å; W57-F99 HydrophobicContact CD2-CE2 4.45Å; W57-F99 AromaticContact CE2-CE2 3.83Å; W57-F99 HydrophobicContact CG-CE2 4.43Å; W57-F99 HydrophobicContact CZ2-CD2 4.48Å; W57-F99 HydrophobicContact CZ2-CE2 4.36Å; W57-F99 AromaticContact NE1-CD2 3.29Å; W57-F99 VanDerWaalsContact NE1-CD2 3.29Å; W57-F99 AromaticContact NE1-CE2 3.35Å; I72-F99 HydrophobicContact CG2-CB 4.19Å; I72-F99 HydrophobicContact CG2-CD2 4.18Å; I72-F99 HydrophobicContact CG2-CG 4.46Å; S91-F99 CarbonylContact O-C 3.48Å; S91-F99 VanDerWaalsContact O-CA 3.23Å; S91-F99 WeakPolarHBondContact O-CA 3.35Å; S91-F99 WeakPolarHBondContact O-CB 3.3Å; V92-F99 HydrophobicContact CB-CB 4.45Å; V92-F99 HydrophobicContact CG2-CB 4.39Å; F99-C116 HydrophobicContact CE1-CB 4.35Å; F99-C116 HydrophobicContact CE2-CB 4.13Å; F99-C116 HydrophobicContact CZ-CB 3.56Å
100	S	98.5	Very high	97.4	Very high	27 Å²	27	54.5 Å²	54.5	19%	0.189	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149	-167.8	-63.7	0	0	0	0	112	L39 T40 I90 S91	L39-S100 CarbonylContact O-C 3.46Å; L39-S100 WeakPolarHBondContact O-CA 3.46Å; L39-S100 WeakPolarHBondContact O-CB 3.43Å; T40-S100 PolarHBondContact OG1-OG 2.88Å; I90-S100 CarbonylContact C-O 3.54Å; I90-S100 VanDerWaalsContact CA-O 3.3Å; I90-S100 WeakPolarHBondContact CA-O 3.43Å; S91-S100 PolarHBondContact N-O 3.33Å; S91-S100 PolarHBondContact O-N 2.79Å
101	L	98.7	Very high	97.3	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130.2	173.9	178.6	73.4	0	0	0	109	S38 L39 W57 I69 V88 I90 Y114	S38-L101 WeakPolarHBondContact CA-O 3.33Å; L39-L101 HydrophobicContact CB-CB 4.36Å; L39-L101 HydrophobicContact CD1-CD2 4.26Å; L39-L101 PolarHBondContact N-O 3.08Å; L39-L101 PolarHBondContact O-N 2.83Å; W57-L101 HydrophobicContact CB-CD1 4.39Å; W57-L101 HydrophobicContact CB-CD2 4.27Å; W57-L101 HydrophobicContact CD2-CB 3.77Å; W57-L101 HydrophobicContact CD2-CD2 4.17Å; W57-L101 HydrophobicContact CD2-CG 4.49Å; W57-L101 HydrophobicContact CE3-CB 4.45Å; W57-L101 HydrophobicContact CE3-CD2 4.34Å; W57-L101 HydrophobicContact CG-CB 3.89Å; W57-L101 HydrophobicContact CG-CD1 4.25Å; W57-L101 HydrophobicContact CG-CD2 4.15Å; W57-L101 HydrophobicContact CG-CG 4.33Å; W57-L101 HydrophobicContact CZ2-CB 4.14Å; I69-L101 HydrophobicContact CD1-CD2 3.94Å; I69-L101 HydrophobicContact CG2-CD1 3.94Å; V88-L101 HydrophobicContact CG1-CD1 3.51Å; I90-L101 HydrophobicContact CD1-CD1 4.35Å; I90-L101 HydrophobicContact CG1-CD1 3.69Å; L101-Y114 HydrophobicContact CD2-CD1 3.93Å; L101-Y114 HydrophobicContact CD2-CE1 4.12Å
102	K	98.4	Very high	97.3	Very high	112 Å²	112	57 Å²	57	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.4	163.1	-68.4	-176.2	177.8	-179.8	0	109	T36 L37 V88 T89	T36-K102 HydrophobicContact CG2-CB 4.19Å; L37-K102 WeakPolarHBondContact O-CA 3.3Å; V88-K102 CarbonylContact C-O 3.56Å; V88-K102 WeakPolarHBondContact CA-O 3.49Å; T89-K102 PolarHBondContact N-O 2.97Å; T89-K102 PolarHBondContact O-N 3.3Å
103	L	98.2	Very high	97.3	Very high	3 Å²	3	59 Å²	59	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	108.9	173.3	174.3	66.6	0	0	0	108.2	T36 L37 R87 V88 V106 D110	T36-L103 CarbonylContact C-O 3.56Å; T36-L103 VanDerWaalsContact CA-O 3.31Å; T36-L103 WeakPolarHBondContact CA-O 3.35Å; L37-L103 HydrophobicContact CB-CB 4.27Å; L37-L103 HydrophobicContact CD2-CD2 4.35Å; L37-L103 PolarHBondContact N-O 3.08Å; L37-L103 PolarHBondContact O-N 2.95Å; R87-L103 HydrophobicContact CB-CD1 3.79Å; R87-L103 WeakPolarHBondContact O-CA 3.44Å; V88-L103 HydrophobicContact CG2-CD1 3.63Å; L103-V106 HydrophobicContact CD2-CG1 4.3Å; L103-V106 HydrophobicContact CG-CG1 4.18Å; L103-V106 WeakPolarHBondContact O-CG1 3.43Å; L103-D110 HydrophobicContact CD2-CB 3.85Å
104	S	97.8	Very high	97.3	Very high	42 Å²	42	57.8 Å²	57.8	29%	0.294	34%	0.336	S	S	.	.			trans	-83.3	161.5	179.9	63.3	0	0	0	0	111.9	R87 V106	R87-S104 WeakPolarHBondContact CA-OG 3.47Å; R87-S104 PolarHBondContact NH1-O 3.32Å; R87-S104 PolarHBondContact O-N 2.97Å; R87-S104 PolarHBondContact O-OG 3.1Å; S104-V106 VanDerWaalsContact C-N 3.32Å; S104-V106 PolarHBondContact O-N 2.86Å
105	S	97.1	Very high	97.5	Very high	67 Å²	67	54.1 Å²	54.1	47%	0.469	32%	0.323	S	S	.	.	S	Bend	trans	50.8	52	175.1	-56	0	0	0	0	112.1	Q35 R87	Q35-S105 PolarHBondContact O-N 2.98Å; R87-S105 PolarHBondContact NH1-O 3.02Å
106	V	97.6	Very high	97.6	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	29%	0.29	C	S	.	.			trans	-62.6	142.9	-176.9	-62.5	0	0	0	0	111.5	V31 K32 P33 S34 Q35 L37 L103 S104	V31-V106 HydrophobicContact CB-CG2 4.39Å; V31-V106 HydrophobicContact CG2-CB 4.4Å; V31-V106 HydrophobicContact CG2-CG1 4.36Å; V31-V106 HydrophobicContact CG2-CG2 3.78Å; K32-V106 WeakPolarHBondContact O-CG2 3.3Å; P33-V106 WeakPolarHBondContact CA-O 3.44Å; S34-V106 PolarHBondContact N-O 2.71Å; Q35-V106 WeakPolarHBondContact O-CG2 3.43Å; Q35-V106 PolarHBondContact O-N 3.18Å; Q35-V106 VanDerWaalsContact O-N 3.08Å; L37-V106 HydrophobicContact CB-CG1 3.77Å; L103-V106 HydrophobicContact CD2-CG1 4.3Å; L103-V106 HydrophobicContact CG-CG1 4.18Å; L103-V106 WeakPolarHBondContact O-CG1 3.43Å; S104-V106 VanDerWaalsContact C-N 3.32Å; S104-V106 PolarHBondContact O-N 2.86Å
107	T	96.7	Very high	97.6	Very high	71 Å²	71	44.8 Å²	44.8	44%	0.436	28%	0.275	S	S	.	.			trans	-126.1	170.9	179.3	67.7	0	0	0	0	110.2	A109 D110	T107-A109 PolarHBondContact O-N 3.18Å; T107-A109 VanDerWaalsContact O-N 3.16Å; T107-A109 PolarHBondContact OG1-N 3.09Å; T107-D110 PolarHBondContact N-OD2 3.23Å; T107-D110 WeakPolarHBondContact O-CB 3.26Å; T107-D110 PolarHBondContact O-N 2.81Å; T107-D110 PolarHBondContact OG1-OD2 3.28Å
108	A	95.9	Very high	97.4	Very high	89 Å²	89	49.5 Å²	49.5	74%	0.736	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-56.9	-30.2	174.1	0	0	0	0	0	112.8	D110 T111	A108-D110 PolarHBondContact O-N 2.89Å; A108-T111 VanDerWaalsContact O-CB 3.3Å; A108-T111 WeakPolarHBondContact O-CB 3.41Å; A108-T111 PolarHBondContact O-N 3.19Å; A108-T111 PolarHBondContact O-OG1 3.4Å
109	A	95.5	Very high	97.4	Very high	75 Å²	75	49.1 Å²	49.1	62%	0.62	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-68.1	-15.3	177.1	0	0	0	0	0	113.6	T107 T111	T107-A109 PolarHBondContact O-N 3.18Å; T107-A109 VanDerWaalsContact O-N 3.16Å; T107-A109 PolarHBondContact OG1-N 3.09Å; A109-T111 VanDerWaalsContact C-N 3.33Å
110	D	97.1	Very high	97.3	Very high	9 Å²	9	51.6 Å²	51.6	5%	0.048	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-90.8	1.2	176.9	-55.7	-57.8	0	0	0	112.7	R59 R87 L103 T107 A108 A112 Y114	R59-D110 IonicContact CZ-OD1 2.72Å; R59-D110 IonicContact NH1-OD1 3.37Å; R59-D110 PolarHBondContact NH1-OD1 2.84Å; R87-D110 IonicContact CZ-OD1 3.15Å; R87-D110 IonicContact CZ-OD2 3.57Å; R87-D110 IonicContact NH1-OD1 2.74Å; R87-D110 IonicContact NH1-OD2 2.77Å; R87-D110 PolarHBondContact NH1-OD2 3.1Å; R87-D110 IonicContact NH2-OD1 3.35Å; R87-D110 PolarHBondContact NH2-OD1 2.71Å; R87-D110 IonicContact NH2-OD2 3.89Å; R87-D110 PolarHBondContact NH2-OD2 3.42Å; L103-D110 HydrophobicContact CD2-CB 3.85Å; T107-D110 PolarHBondContact N-OD2 3.23Å; T107-D110 WeakPolarHBondContact O-CB 3.26Å; T107-D110 PolarHBondContact O-N 2.81Å; T107-D110 PolarHBondContact OG1-OD2 3.28Å; A108-D110 PolarHBondContact O-N 2.89Å; D110-A112 PolarHBondContact O-N 3.06Å; D110-A112 VanDerWaalsContact O-N 3.16Å; D110-Y114 PolarHBondContact O-OH 2.87Å
111	T	97	Very high	97.3	Very high	90 Å²	90	53 Å²	53	55%	0.552	31%	0.313	S	S	*	.			trans	-65.7	111.8	172.2	-52.8	0	0	0	0	109.3	P62 A108 A109	P62-T111 WeakPolarHBondContact CD-O 3.23Å; A108-T111 VanDerWaalsContact O-CB 3.3Å; A108-T111 WeakPolarHBondContact O-CB 3.41Å; A108-T111 PolarHBondContact O-N 3.19Å; A108-T111 PolarHBondContact O-OG1 3.4Å; A109-T111 VanDerWaalsContact C-N 3.33Å
112	A	97.5	Very high	97.2	Very high	24 Å²	24	56.1 Å²	56.1	20%	0.198	33%	0.331	C	S	.	.	S	Bend	trans	-162.6	163.5	-176.2	0	0	0	0	0	110.7	R59 Q60 P61 D110 Y114	R59-A112 HydrophobicContact CB-CB 3.81Å; R59-A112 HydrophobicContact CG-CB 4.38Å; Q60-A112 VanDerWaalsContact O-CA 3.3Å; Q60-A112 WeakPolarHBondContact O-CA 3.08Å; Q60-A112 WeakPolarHBondContact O-CB 3.36Å; P61-A112 HydrophobicContact CG-CB 4.36Å; D110-A112 PolarHBondContact O-N 3.06Å; D110-A112 VanDerWaalsContact O-N 3.16Å; A112-Y114 HydrophobicContact CB-CD2 4.37Å; A112-Y114 HydrophobicContact CB-CE2 3.89Å; A112-Y114 VanDerWaalsContact O-CD2 3.32Å; A112-Y114 WeakPolarHBondContact O-CD2 3.42Å; A112-Y114 WeakPolarHBondContact O-CE2 3.07Å
113	V	97.6	Very high	97.1	Very high	78 Å²	78	52.6 Å²	52.6	47%	0.473	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	135.1	159.5	-171.6	0	0	0	0	107.9	R59 Q60 Y115	R59-V113 CarbonylContact C-O 3.56Å; R59-V113 VanDerWaalsContact CA-O 3.24Å; R59-V113 WeakPolarHBondContact CA-O 3.23Å; Q60-V113 PolarHBondContact N-O 3.42Å; Q60-V113 PolarHBondContact O-N 3.4Å; V113-Y115 HydrophobicContact CB-CE2 3.88Å; V113-Y115 HydrophobicContact CG1-CD1 4.48Å; V113-Y115 HydrophobicContact CG1-CD2 4.5Å; V113-Y115 HydrophobicContact CG1-CE1 3.76Å; V113-Y115 HydrophobicContact CG1-CE2 3.77Å; V113-Y115 WeakPolarHBondContact CG1-OH 3.47Å
114	Y	98.3	Very high	97	Very high	27 Å²	27	55.9 Å²	55.9	11%	0.106	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.1	-179.4	-71.3	-102.3	0	0	0	109.5	L37 L39 I58 R59 I69 L101 D110 A112	L37-Y114 HydrophobicContact CD2-CD2 4.27Å; L37-Y114 HydrophobicContact CD2-CE1 4Å; L37-Y114 HydrophobicContact CD2-CE2 3.69Å; L39-Y114 HydrophobicContact CD1-CD1 3.71Å; L39-Y114 HydrophobicContact CD1-CD2 4.06Å; L39-Y114 HydrophobicContact CD1-CG 3.44Å; L39-Y114 VanDerWaalsContact CD1-CG 3.44Å; I58-Y114 WeakPolarHBondContact O-CA 3.32Å; R59-Y114 HydrophobicContact CB-CD1 3.85Å; R59-Y114 HydrophobicContact CB-CE1 3.79Å; R59-Y114 HydrophobicContact CB-CG 4.3Å; I69-Y114 HydrophobicContact CD1-CD1 3.75Å; I69-Y114 HydrophobicContact CD1-CE1 3.66Å; L101-Y114 HydrophobicContact CD2-CD1 3.93Å; L101-Y114 HydrophobicContact CD2-CE1 4.12Å; D110-Y114 PolarHBondContact O-OH 2.87Å; A112-Y114 HydrophobicContact CB-CD2 4.37Å; A112-Y114 HydrophobicContact CB-CE2 3.89Å; A112-Y114 VanDerWaalsContact O-CD2 3.32Å; A112-Y114 WeakPolarHBondContact O-CD2 3.42Å; A112-Y114 WeakPolarHBondContact O-CE2 3.07Å
115	Y	98.4	Very high	97	Very high	86 Å²	86	56.9 Å²	56.9	34%	0.337	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	-177.4	-57.1	-78.6	0	0	0	109.8	E25 I58 Q60 L66 V113	E25-Y115 WeakPolarHBondContact OE1-CA 3.47Å; I58-Y115 PolarHBondContact N-O 3.2Å; I58-Y115 PolarHBondContact O-N 2.85Å; Q60-Y115 HydrophobicContact CB-CE2 3.88Å; L66-Y115 HydrophobicContact CD2-CD2 4.33Å; L66-Y115 HydrophobicContact CD2-CE2 4.32Å; V113-Y115 HydrophobicContact CB-CE2 3.88Å; V113-Y115 HydrophobicContact CG1-CD1 4.48Å; V113-Y115 HydrophobicContact CG1-CD2 4.5Å; V113-Y115 HydrophobicContact CG1-CE1 3.76Å; V113-Y115 HydrophobicContact CG1-CE2 3.77Å; V113-Y115 WeakPolarHBondContact CG1-OH 3.47Å
116	C	98.1	Very high	96.9	Very high	11 Å²	11	56.1 Å²	56.1	7%	0.074	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	145.9	164.2	57.9	0	0	0	0	111.3	E25 C41 S56 W57 F99	E25-C116 HydrophobicContact CG-CB 4.27Å; E25-C116 VanDerWaalsContact CG-SG 3.53Å; E25-C116 PolarHBondContact OE1-N 3.16Å; E25-C116 PolarHBondContact OE1-SG 2.87Å; C41-C116 HydrophobicContact CB-CB 3.37Å; C41-C116 WeakPolarHBondContact CB-SG 3.45Å; C41-C116 WeakPolarHBondContact SG-CB 3.45Å; C41-C116 CovalentContact SG-SG 2.03Å; C41-C116 PolarHBondContact SG-SG 3.1Å; S56-C116 WeakPolarHBondContact O-CA 3.46Å; W57-C116 HydrophobicContact CE3-CB 4.29Å; W57-C116 HydrophobicContact CH2-CB 4.27Å; W57-C116 HydrophobicContact CZ3-CB 4.15Å; F99-C116 HydrophobicContact CE1-CB 4.35Å; F99-C116 HydrophobicContact CE2-CB 4.13Å; F99-C116 HydrophobicContact CZ-CB 3.56Å
117	A	97.5	Very high	96.9	Very high	28 Å²	28	60 Å²	60	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.4	-178.6	0	0	0	0	0	110.8	W55 S56 I58	W55-A117 CarbonylContact C-O 3.58Å; S56-A117 PolarHBondContact N-O 2.72Å; S56-A117 PolarHBondContact O-N 2.96Å; I58-A117 HydrophobicContact CD1-CB 3.98Å
118	R	93.2	Very high	96.9	Very high	132 Å²	132	59 Å²	59	50%	0.498	35%	0.352	S	S	.	.			trans	-109.7	0	167.5	-170.2	-179.6	72.3	173.3	-6.7	109.1	L21 Y53 W55	L21-R118 HydrophobicContact CD2-CB 4.47Å; Y53-R118 HydrophobicContact CD1-CG 4.42Å; Y53-R118 VanDerWaalsContact CE2-NH1 3.29Å; Y53-R118 HydrophobicContact CG-CG 4.05Å; W55-R118 HydrophobicContact CD2-CG 4.31Å; W55-R118 HydrophobicContact CE3-CB 3.79Å; W55-R118 HydrophobicContact CE3-CG 3.88Å; W55-R118 HydrophobicContact CH2-CB 4.26Å; W55-R118 HydrophobicContact CH2-CG 3.88Å; W55-R118 HydrophobicContact CZ2-CG 4.22Å; W55-R118 HydrophobicContact CZ3-CB 3.57Å; W55-R118 HydrophobicContact CZ3-CG 3.65Å

Retrieved 118 of 118 residues in 57 ms (Link to these results)

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