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Immunoglobulin heavy variable 4-4

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 A0A075B6R2, Species HUMAN (Homo sapiens, Human), Gene IGHV4-4, Length 117 aa.

						>HV404_HUMAN|A0A075B6R2|IGHV4-4
MKHLWFFLLLVAAPRWVLSQVQLQESGPGLVKPSGTLSLTCAVSGGSISSSNWWSWVRQPPGKGLEWIGEIYHSGSTNYNPSLKSRVTISVDKSKNQFSLKLSSVTAADTAVYYCAR
					

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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	58.3	Low	62	Low	222 Å²	222	154.2 Å²	154.2	100%	1.094	74%	0.739	S	S	*	*				0	-14.1	0	-127	162.8	-92.1	0	0	114.9
2	K	64	Low	62.2	Low	178 Å²	178	147.2 Å²	147.2	77%	0.774	73%	0.725	S	S	*	*			trans	-75.7	-25.7	178.5	-102.6	173.8	147.4	179.6	0	115.9
3	H	63.5	Low	62.4	Low	147 Å²	147	141.5 Å²	141.5	68%	0.681	72%	0.716	S	S	*	*	H	α-helix	trans	-78	-20.5	-179.8	-61.8	-68.8	0	0	0	113.5	W5 F6 F7	H3-W5 VanDerWaalsContact C-N 3.26Å; H3-W5 PolarHBondContact O-N 3.44Å; H3-F6 PolarHBondContact O-N 3.33Å; H3-F7 VanDerWaalsContact O-CD2 3.24Å; H3-F7 WeakPolarHBondContact O-CD2 3.24Å
4	L	62.3	Low	62.4	Low	122 Å²	122	138.1 Å²	138.1	64%	0.639	71%	0.708	S	S	*	*	H	α-helix	trans	-65.4	-30.7	179.1	-123.2	84.5	0	0	0	112.2	F7 L8	L4-F7 PolarHBondContact O-N 3.36Å; L4-L8 PolarHBondContact O-N 2.97Å
5	W	64.4	Low	62.4	Low	201 Å²	201	144.2 Å²	144.2	76%	0.761	72%	0.719	S	S	*	*	H	α-helix	trans	-69.6	-31.9	178.3	-89.5	-11.2	0	0	0	113.8	H3 L8 L9	H3-W5 VanDerWaalsContact C-N 3.26Å; H3-W5 PolarHBondContact O-N 3.44Å; W5-L8 PolarHBondContact O-N 2.89Å; W5-L9 PolarHBondContact O-N 3.18Å
6	F	61.7	Low	62.5	Low	152 Å²	152	148.8 Å²	148.8	67%	0.667	73%	0.725	S	S	*	*	H	α-helix	trans	-68.3	-36.4	175.9	-83.6	-82	0	0	0	112.1	H3 L8 L9	H3-F6 PolarHBondContact O-N 3.33Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 2.99Å; F6-L9 PolarHBondContact O-N 3.36Å
7	F	61.4	Low	63	Low	147 Å²	147	146.9 Å²	146.9	65%	0.645	72%	0.724	S	S	*	*	H	α-helix	trans	-67.3	-32.1	174.6	-71.6	-73.9	0	0	0	112.5	H3 L4 L9 L10	H3-F7 VanDerWaalsContact O-CD2 3.24Å; H3-F7 WeakPolarHBondContact O-CD2 3.24Å; L4-F7 PolarHBondContact O-N 3.36Å; F7-L9 VanDerWaalsContact C-N 3.35Å; F7-L9 PolarHBondContact O-N 2.82Å; F7-L10 PolarHBondContact O-N 3.03Å
8	L	61	Low	63.4	Low	123 Å²	123	146.7 Å²	146.7	64%	0.644	73%	0.726	S	S	*	*	H	α-helix	trans	-70.2	-28.9	179.9	-122.1	135	0	0	0	113.2	L4 W5 F6	L4-L8 PolarHBondContact O-N 2.97Å; W5-L8 PolarHBondContact O-N 2.89Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 2.99Å
9	L	60.6	Low	64	Low	135 Å²	135	143.6 Å²	143.6	71%	0.707	72%	0.72	S	S	*	*	H	α-helix	trans	-75.2	-30.5	176.6	-84.9	158.6	0	0	0	113.4	W5 F6 F7 V11 A12	W5-L9 PolarHBondContact O-N 3.18Å; F6-L9 PolarHBondContact O-N 3.36Å; F7-L9 VanDerWaalsContact C-N 3.35Å; F7-L9 PolarHBondContact O-N 2.82Å; L9-V11 VanDerWaalsContact C-N 3.31Å; L9-V11 PolarHBondContact O-N 3.16Å; L9-A12 PolarHBondContact O-N 3.19Å
10	L	60.3	Low	65.2	Low	142 Å²	142	144.4 Å²	144.4	74%	0.743	72%	0.721	S	S	*	*	H	α-helix	trans	-72.6	-20.4	-179.7	-94.8	154.4	0	0	0	113.9	F7 A12	F7-L10 PolarHBondContact O-N 3.03Å; L10-A12 VanDerWaalsContact C-N 3.33Å
11	V	65	Low	66.5	Low	127 Å²	127	138.9 Å²	138.9	77%	0.77	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.9	-12.2	176.9	-170.5	0	0	0	0	111.9	L9 A13	L9-V11 VanDerWaalsContact C-N 3.31Å; L9-V11 PolarHBondContact O-N 3.16Å; V11-A13 VanDerWaalsContact C-N 3.3Å; V11-A13 PolarHBondContact O-N 2.7Å
12	A	64.3	Low	68.3	Low	70 Å²	70	134.4 Å²	134.4	58%	0.579	67%	0.672	S	S	*	*			trans	-92.9	43.1	178.7	0	0	0	0	0	112.6	L9 L10 P14	L9-A12 PolarHBondContact O-N 3.19Å; L10-A12 VanDerWaalsContact C-N 3.33Å; A12-P14 WeakPolarHBondContact O-CD 3.45Å
13	A	64.3	Low	69.9	Low	73 Å²	73	128.2 Å²	128.2	60%	0.603	65%	0.647	S	S	*	*			trans	-82.2	97.4	158.2	0	0	0	0	0	107	V11 R15	V11-A13 VanDerWaalsContact C-N 3.3Å; V11-A13 PolarHBondContact O-N 2.7Å; A13-R15 PolarHBondContact O-N 3.24Å
14	P	62.7	Low	71.5	Confident	94 Å²	94	128.1 Å²	128.1	61%	0.61	65%	0.647	S	S	*	*			trans	-58.3	111.3	170.7	24.8	-32.3	0	0	0	106.2	A12 W16	A12-P14 WeakPolarHBondContact O-CD 3.45Å; P14-W16 PolarHBondContact O-N 2.82Å
15	R	62	Low	73.3	Confident	230 Å²	230	125.9 Å²	125.9	87%	0.868	63%	0.633	S	S	*	*			trans	-69.5	82.6	172.1	-69.2	-175.8	172.8	-166.9	-2	106.3	A13 V17	A13-R15 PolarHBondContact O-N 3.24Å; R15-V17 HydrophobicContact CB-CG2 4.19Å; R15-V17 PolarHBondContact O-N 2.77Å
16	W	64.3	Low	74.9	Confident	217 Å²	217	119.4 Å²	119.4	82%	0.822	62%	0.618	S	S	*	*			trans	-67	69.6	162.2	-72.2	71.6	0	0	0	107	P14 L18	P14-W16 PolarHBondContact O-N 2.82Å; W16-L18 PolarHBondContact O-N 3.01Å
17	V	71.8	Confident	76.6	Confident	117 Å²	117	114.6 Å²	114.6	71%	0.709	61%	0.611	S	S	*	*			trans	-74.5	90.1	164.4	179.9	0	0	0	0	104.1	R15 S19	R15-V17 HydrophobicContact CB-CG2 4.19Å; R15-V17 PolarHBondContact O-N 2.77Å; V17-S19 PolarHBondContact O-N 3.27Å
18	L	69.7	Low	78.3	Confident	143 Å²	143	110.5 Å²	110.5	75%	0.749	60%	0.6	S	S	*	*			trans	-50.2	125.2	157.3	-66.7	175.9	0	0	0	105.7	W16 Q20	W16-L18 PolarHBondContact O-N 3.01Å; L18-Q20 PolarHBondContact O-N 3.02Å
19	S	74.4	Confident	80	Confident	88 Å²	88	108.5 Å²	108.5	62%	0.615	61%	0.608	S	S	*	*			trans	-57.6	108.5	179.5	-175.9	0	0	0	0	107.7	V17 G45	V17-S19 PolarHBondContact O-N 3.27Å; S19-G45 VanDerWaalsContact OG-CA 3.28Å; S19-G45 WeakPolarHBondContact OG-CA 3.35Å
20	Q	88.5	Confident	81.6	Confident	159 Å²	159	110 Å²	110	74%	0.743	62%	0.616	S	S	*	*			trans	-69.3	137.4	177.2	-177.1	178.5	-21.1	0	0	108	L18 Q22	L18-Q20 PolarHBondContact O-N 3.02Å; Q20-Q22 PolarHBondContact O-N 3.29Å
21	V	92.8	Very high	83.4	Confident	29 Å²	29	105.6 Å²	105.6	18%	0.176	60%	0.595	C	S	.	*			trans	-63	130.1	173.2	173.3	0	0	0	0	109.4	L23 V43 S44 W54	V21-L23 HydrophobicContact CG1-CD2 4.4Å; V21-V43 HydrophobicContact CG1-CG1 4.18Å; V21-S44 WeakPolarHBondContact CA-O 3.19Å; V21-W54 HydrophobicContact CG1-CH2 4.44Å; V21-W54 HydrophobicContact CG1-CZ3 4.44Å
22	Q	95.5	Very high	84.9	Confident	129 Å²	129	107.9 Å²	107.9	60%	0.603	60%	0.595	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118	144.1	174.2	-50.4	177.1	-53.6	0	0	109.5	Q20 S44	Q20-Q22 PolarHBondContact O-N 3.29Å; Q22-S44 WeakPolarHBondContact CB-OG 3.14Å; Q22-S44 PolarHBondContact N-O 3.45Å; Q22-S44 PolarHBondContact O-N 3.32Å; Q22-S44 PolarHBondContact OE1-OG 2.86Å
23	L	97.6	Very high	86.5	Confident	47 Å²	47	109.9 Å²	109.9	25%	0.246	60%	0.602	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	135.3	178.2	-60.4	179.8	0	0	0	108	V21 A42 V43 W54 C115	V21-L23 HydrophobicContact CG1-CD2 4.4Å; L23-A42 WeakPolarHBondContact CA-O 3.38Å; L23-V43 HydrophobicContact CD2-CB 4.37Å; L23-V43 HydrophobicContact CD2-CG1 4.34Å; L23-V43 HydrophobicContact CD2-CG2 3.82Å; L23-W54 HydrophobicContact CD2-CE3 4.27Å; L23-W54 HydrophobicContact CD2-CZ3 3.86Å; L23-C115 HydrophobicContact CB-CB 3.99Å; L23-C115 HydrophobicContact CD1-CB 3.75Å; L23-C115 HydrophobicContact CG-CB 4.37Å
24	Q	98.2	Very high	88	Confident	146 Å²	146	111.2 Å²	111.2	68%	0.682	61%	0.607	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-132.3	110.5	179.3	-174.6	157.7	-1.2	0	0	111.1	C41 A42	Q24-C41 WeakPolarHBondContact O-CA 3.44Å; Q24-A42 HydrophobicContact CB-CB 4.43Å; Q24-A42 PolarHBondContact N-O 3.4Å; Q24-A42 PolarHBondContact O-N 3.28Å
25	E	98.6	Very high	89.7	Confident	75 Å²	75	107.8 Å²	107.8	35%	0.35	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.6	142.8	176.3	-61.3	77.8	-178.6	0	0	111.4	T40 W56 C115	E25-T40 CarbonylContact C-O 3.6Å; E25-T40 WeakPolarHBondContact CA-O 3.47Å; E25-W56 HydrophobicContact CG-CZ3 4.23Å; E25-C115 HydrophobicContact CG-CB 4.44Å; E25-C115 VanDerWaalsContact CG-SG 3.58Å; E25-C115 WeakPolarHBondContact OE1-CB 3.43Å; E25-C115 PolarHBondContact OE1-N 3.12Å
26	S	98.5	Very high	91.4	Very high	64 Å²	64	100.3 Å²	100.3	45%	0.448	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.3	152.1	172.8	57.5	0	0	0	0	110.7	L39 T40	S26-L39 CarbonylContact O-C 3.57Å; S26-L39 WeakPolarHBondContact O-CA 3.33Å; S26-T40 PolarHBondContact N-O 3.28Å; S26-T40 PolarHBondContact O-N 3.47Å; S26-T40 PolarHBondContact OG-O 3.45Å
27	G	98.1	Very high	93.1	Very high	51 Å²	51	90.6 Å²	90.6	53%	0.526	53%	0.533	S	S	.	.			trans	161.8	-179.7	-179.3	0	0	0	0	0	112.4
28	P	97.1	Very high	94.3	Very high	62 Å²	62	87.5 Å²	87.5	40%	0.403	52%	0.516	S	S	.	.			trans	-72.3	138.8	178.5	31.1	-33.8	0	0	0	110.9	V31 L37 S38	P28-V31 HydrophobicContact CB-CG2 4.28Å; P28-V31 HydrophobicContact CG-CG2 3.75Å; P28-L37 HydrophobicContact CG-CD1 3.87Å; P28-S38 WeakPolarHBondContact CD-O 3.09Å
29	G	95.1	Very high	95.7	Very high	80 Å²	80	81.5 Å²	81.5	83%	0.825	49%	0.485	S	S	*	.	S	Bend	trans	-73.5	-32.1	175.4	0	0	0	0	0	113.7
30	L	95.9	Very high	96.9	Very high	167 Å²	167	79 Å²	79	87%	0.874	47%	0.466	S	S	*	.			trans	-129.1	141.2	177.6	-94.3	75.9	0	0	0	110.2
31	V	97.3	Very high	97.4	Very high	49 Å²	49	71.5 Å²	71.5	30%	0.297	43%	0.431	S	S	.	.			trans	-131.8	140.5	175.7	-177.2	0	0	0	0	108.6	P28 L37 V105	P28-V31 HydrophobicContact CB-CG2 4.28Å; P28-V31 HydrophobicContact CG-CG2 3.75Å; V31-L37 HydrophobicContact CG2-CB 4.22Å; V31-L37 HydrophobicContact CG2-CD1 3.8Å; V31-V105 HydrophobicContact CG1-CG2 4.45Å
32	K	96.7	Very high	97.6	Very high	175 Å²	175	71.8 Å²	71.8	76%	0.761	44%	0.436	S	S	*	.			trans	-63.9	147.3	176.4	-66.7	-178	-178.4	-179.9	0	110.4	G35	K32-G35 WeakPolarHBondContact O-CA 3.31Å; K32-G35 PolarHBondContact O-N 3.41Å
33	P	96.8	Very high	97.7	Very high	112 Å²	112	66 Å²	66	73%	0.727	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	143.3	170.1	-25.8	34.6	0	0	0	111.6	G35	P33-G35 PolarHBondContact O-N 3.48Å
34	S	97.1	Very high	97.6	Very high	101 Å²	101	66.3 Å²	66.3	71%	0.706	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	4	-174.7	-52	0	0	0	0	115.2	V105	S34-V105 PolarHBondContact N-O 2.87Å
35	G	97.9	Very high	97.4	Very high	22 Å²	22	61.1 Å²	61.1	23%	0.227	40%	0.402	C	S	.	.	S	Bend	trans	-77.4	-172.2	173.2	0	0	0	0	0	112.7	K32 P33 S104 V105	K32-G35 WeakPolarHBondContact O-CA 3.31Å; K32-G35 PolarHBondContact O-N 3.41Å; P33-G35 PolarHBondContact O-N 3.48Å; G35-S104 PolarHBondContact O-N 2.85Å; G35-V105 WeakPolarHBondContact O-CG2 3.21Å; G35-V105 PolarHBondContact O-N 3.4Å
36	T	98.3	Very high	97	Very high	74 Å²	74	59 Å²	59	45%	0.454	40%	0.4	S	S	.	.			trans	-116.5	119	178.1	-59.1	0	0	0	0	110	K101 L102	T36-K101 HydrophobicContact CG2-CB 4.35Å; T36-L102 CarbonylContact C-O 3.53Å; T36-L102 VanDerWaalsContact CA-O 3.32Å; T36-L102 WeakPolarHBondContact CA-O 3.45Å
37	L	98.5	Very high	96.8	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.068	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	127.2	167.9	173.2	64	0	0	0	108.7	P28 V31 L39 K101 L102 V105 Y113	P28-L37 HydrophobicContact CG-CD1 3.87Å; V31-L37 HydrophobicContact CG2-CB 4.22Å; V31-L37 HydrophobicContact CG2-CD1 3.8Å; L37-L39 HydrophobicContact CD1-CD2 3.74Å; L37-L39 HydrophobicContact CD1-CG 4.09Å; L37-L39 HydrophobicContact CD2-CD1 4.2Å; L37-L39 HydrophobicContact CD2-CG 4.29Å; L37-L39 HydrophobicContact CG-CD1 4.46Å; L37-L39 HydrophobicContact CG-CD2 4.23Å; L37-L39 HydrophobicContact CG-CG 4.01Å; L37-K101 CarbonylContact O-C 3.45Å; L37-K101 WeakPolarHBondContact O-CA 3.32Å; L37-L102 HydrophobicContact CB-CB 4.28Å; L37-L102 PolarHBondContact N-O 3.1Å; L37-L102 PolarHBondContact O-N 3.47Å; L37-V105 HydrophobicContact CB-CG2 3.81Å; L37-Y113 HydrophobicContact CD2-CD2 4.34Å; L37-Y113 HydrophobicContact CD2-CE1 4.12Å; L37-Y113 HydrophobicContact CD2-CE2 3.82Å
38	S	98.6	Very high	96.6	Very high	52 Å²	52	56.4 Å²	56.4	36%	0.364	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.9	176	-61.5	0	0	0	0	109.3	P28 L100	P28-S38 WeakPolarHBondContact CD-O 3.09Å; S38-L100 WeakPolarHBondContact CA-O 3.36Å
39	L	98.8	Very high	96.4	Very high	17 Å²	17	56 Å²	56	9%	0.089	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.4	178.2	-57.5	178.2	0	0	0	110.3	S26 L37 W56 S99 L100 Y113	S26-L39 CarbonylContact O-C 3.57Å; S26-L39 WeakPolarHBondContact O-CA 3.33Å; L37-L39 HydrophobicContact CD1-CD2 3.74Å; L37-L39 HydrophobicContact CD1-CG 4.09Å; L37-L39 HydrophobicContact CD2-CD1 4.2Å; L37-L39 HydrophobicContact CD2-CG 4.29Å; L37-L39 HydrophobicContact CG-CD1 4.46Å; L37-L39 HydrophobicContact CG-CD2 4.23Å; L37-L39 HydrophobicContact CG-CG 4.01Å; L39-W56 HydrophobicContact CB-CH2 3.61Å; L39-W56 HydrophobicContact CB-CZ2 4.07Å; L39-W56 HydrophobicContact CB-CZ3 4.04Å; L39-W56 HydrophobicContact CD1-CE3 4.37Å; L39-W56 HydrophobicContact CD1-CH2 4.37Å; L39-W56 HydrophobicContact CD1-CZ3 3.93Å; L39-S99 CarbonylContact O-C 3.58Å; L39-S99 WeakPolarHBondContact O-CA 3.14Å; L39-S99 WeakPolarHBondContact O-CB 3.31Å; L39-L100 HydrophobicContact CB-CB 4.32Å; L39-L100 HydrophobicContact CD1-CD2 4.17Å; L39-L100 PolarHBondContact N-O 3.31Å; L39-L100 PolarHBondContact O-N 3.3Å; L39-Y113 HydrophobicContact CD1-CD1 3.62Å; L39-Y113 HydrophobicContact CD1-CD2 4.13Å; L39-Y113 HydrophobicContact CD1-CE1 4.44Å; L39-Y113 HydrophobicContact CD1-CG 3.44Å; L39-Y113 VanDerWaalsContact CD1-CG 3.44Å
40	T	98.8	Very high	96.1	Very high	36 Å²	36	53.7 Å²	53.7	22%	0.221	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.8	177	-63.5	0	0	0	0	109.7	E25 S26 Q97 S99	E25-T40 CarbonylContact C-O 3.6Å; E25-T40 WeakPolarHBondContact CA-O 3.47Å; S26-T40 PolarHBondContact N-O 3.28Å; S26-T40 PolarHBondContact O-N 3.47Å; S26-T40 PolarHBondContact OG-O 3.45Å; T40-Q97 HydrophobicContact CG2-CB 4.18Å; T40-Q97 HydrophobicContact CG2-CG 4.07Å; T40-S99 PolarHBondContact OG1-OG 3.06Å; T40-S99 VanDerWaalsContact OG1-OG 3.12Å
41	C	98.6	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.4	175.8	-159.6	0	0	0	0	110.6	Q24 W56 Q97 F98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.44Å; C41-W56 HydrophobicContact CB-CH2 4Å; C41-W56 HydrophobicContact CB-CZ2 3.73Å; C41-Q97 WeakPolarHBondContact O-CA 3.46Å; C41-Q97 WeakPolarHBondContact O-CB 3.43Å; C41-Q97 WeakPolarHBondContact O-CG 3.41Å; C41-F98 HydrophobicContact CB-CD1 3.71Å; C41-F98 HydrophobicContact CB-CD2 4.41Å; C41-F98 HydrophobicContact CB-CE1 3.36Å; C41-F98 HydrophobicContact CB-CE2 4.11Å; C41-F98 HydrophobicContact CB-CG 4.22Å; C41-F98 HydrophobicContact CB-CZ 3.58Å; C41-F98 PolarHBondContact N-O 3.04Å; C41-F98 PolarHBondContact O-N 3.32Å; C41-F98 VanDerWaalsContact O-N 3.12Å; C41-F98 WeakPolarHBondContact SG-CE1 3.32Å; C41-C115 HydrophobicContact CB-CB 4.11Å; C41-C115 WeakPolarHBondContact CB-SG 3.14Å; C41-C115 WeakPolarHBondContact SG-CB 3.32Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 2.89Å
42	A	98.4	Very high	95.4	Very high	35 Å²	35	50 Å²	50	29%	0.289	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.9	171.5	0	0	0	0	0	110.8	L23 Q24 Q97	L23-A42 WeakPolarHBondContact CA-O 3.38Å; Q24-A42 HydrophobicContact CB-CB 4.43Å; Q24-A42 PolarHBondContact N-O 3.4Å; Q24-A42 PolarHBondContact O-N 3.28Å; A42-Q97 HydrophobicContact CB-CG 4.04Å
43	V	97.1	Very high	95.4	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.055	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130	175.1	-175.9	0	0	0	0	108.5	V21 L23 I48 W54 N96 F98	V21-V43 HydrophobicContact CG1-CG1 4.18Å; L23-V43 HydrophobicContact CD2-CB 4.37Å; L23-V43 HydrophobicContact CD2-CG1 4.34Å; L23-V43 HydrophobicContact CD2-CG2 3.82Å; V43-I48 HydrophobicContact CG2-CD1 4.23Å; V43-I48 HydrophobicContact CG2-CG1 4.49Å; V43-W54 HydrophobicContact CG1-CH2 3.71Å; V43-W54 HydrophobicContact CG1-CZ2 4.45Å; V43-W54 HydrophobicContact CG1-CZ3 4.08Å; V43-W54 HydrophobicContact CG2-CE3 4.3Å; V43-W54 HydrophobicContact CG2-CH2 4.23Å; V43-W54 HydrophobicContact CG2-CZ3 4.04Å; V43-N96 WeakPolarHBondContact CB-O 3.28Å; V43-N96 PolarHBondContact N-O 2.97Å; V43-N96 PolarHBondContact O-ND2 3.37Å; V43-F98 HydrophobicContact CG2-CD1 4.33Å; V43-F98 HydrophobicContact CG2-CE1 4.23Å
44	S	95.6	Very high	95.4	Very high	53 Å²	53	41 Å²	41	37%	0.371	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	163.2	170.6	70.3	0	0	0	0	110.7	V21 Q22 G46	V21-S44 WeakPolarHBondContact CA-O 3.19Å; Q22-S44 WeakPolarHBondContact CB-OG 3.14Å; Q22-S44 PolarHBondContact N-O 3.45Å; Q22-S44 PolarHBondContact O-N 3.32Å; Q22-S44 PolarHBondContact OE1-OG 2.86Å; S44-G46 PolarHBondContact O-N 2.84Å; S44-G46 VanDerWaalsContact O-N 3.1Å
45	G	92.9	Very high	95.5	Very high	37 Å²	37	36.9 Å²	36.9	38%	0.381	25%	0.248	S	C	.	.	S	Bend	trans	66.1	7.9	-172.7	0	0	0	0	0	114.5	S19	S19-G45 VanDerWaalsContact OG-CA 3.28Å; S19-G45 WeakPolarHBondContact OG-CA 3.35Å
46	G	90.5	Very high	95.6	Very high	31 Å²	31	35.9 Å²	35.9	32%	0.32	24%	0.237	S	C	.	.	S	Bend	trans	-164.7	174.8	-179.4	0	0	0	0	0	111.7	S44 N96	S44-G46 PolarHBondContact O-N 2.84Å; S44-G46 VanDerWaalsContact O-N 3.1Å; G46-N96 PolarHBondContact O-ND2 2.94Å
47	S	93.7	Very high	95.6	Very high	59 Å²	59	33.4 Å²	33.4	41%	0.413	22%	0.222	S	C	.	.			trans	-113.6	131.5	178.5	178.3	0	0	0	0	110.8	S49 S50	S47-S49 PolarHBondContact O-N 3.5Å; S47-S49 WeakPolarHBondContact OG-CB 3.47Å; S47-S49 PolarHBondContact OG-N 3.05Å; S47-S50 WeakPolarHBondContact O-CB 3.43Å; S47-S50 PolarHBondContact O-N 2.76Å; S47-S50 PolarHBondContact O-OG 3.43Å
48	I	94	Very high	95.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.8	172.7	-156.5	161.8	0	0	0	112.3	V43 S50 W54 H73 V91 K93 N96 Q97 F98	V43-I48 HydrophobicContact CG2-CD1 4.23Å; V43-I48 HydrophobicContact CG2-CG1 4.49Å; I48-S50 PolarHBondContact O-N 2.97Å; I48-W54 HydrophobicContact CG1-CD2 4.41Å; I48-W54 HydrophobicContact CG1-CG 4.35Å; I48-W54 HydrophobicContact CG1-CZ2 4.45Å; I48-W54 PolarHBondContact O-NE1 2.85Å; I48-H73 VanDerWaalsContact O-CB 3.27Å; I48-H73 WeakPolarHBondContact O-CB 3.44Å; I48-V91 HydrophobicContact CD1-CG2 3.62Å; I48-V91 HydrophobicContact CG1-CG2 3.86Å; I48-V91 HydrophobicContact CG2-CG2 4.27Å; I48-K93 HydrophobicContact CG2-CB 4.45Å; I48-K93 HydrophobicContact CG2-CG 4.26Å; I48-N96 WeakPolarHBondContact CB-OD1 3.45Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.49Å; I48-N96 PolarHBondContact N-OD1 3.03Å; I48-Q97 VanDerWaalsContact CD1-O 3.23Å; I48-Q97 WeakPolarHBondContact CD1-O 3.48Å; I48-F98 HydrophobicContact CD1-CB 3.88Å; I48-F98 HydrophobicContact CD1-CD1 3.78Å; I48-F98 HydrophobicContact CD1-CG 4.28Å
49	S	93.9	Very high	95.6	Very high	53 Å²	53	34.6 Å²	34.6	37%	0.371	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-1	174.6	-57.2	0	0	0	0	113.3	S47	S47-S49 PolarHBondContact O-N 3.5Å; S47-S49 WeakPolarHBondContact OG-CB 3.47Å; S47-S49 PolarHBondContact OG-N 3.05Å
50	S	88.7	Confident	95.5	Very high	33 Å²	33	34.4 Å²	34.4	23%	0.231	22%	0.221	C	C	.	.	S	Bend	trans	-64.1	159.8	170.7	59.4	0	0	0	0	111.6	S47 I48 N52 H73	S47-S50 WeakPolarHBondContact O-CB 3.43Å; S47-S50 PolarHBondContact O-N 2.76Å; S47-S50 PolarHBondContact O-OG 3.43Å; I48-S50 PolarHBondContact O-N 2.97Å; S50-N52 WeakPolarHBondContact CB-ND2 3.39Å; S50-N52 PolarHBondContact O-N 3.12Å; S50-N52 PolarHBondContact OG-ND2 2.9Å; S50-H73 PolarHBondContact O-ND1 3.47Å; S50-H73 VanDerWaalsContact O-ND1 3.12Å
51	S	86.8	Confident	95.5	Very high	89 Å²	89	37.4 Å²	37.4	62%	0.622	24%	0.241	S	C	*	.	S	Bend	trans	-74.1	49.6	176.9	54.7	0	0	0	0	112.9	Y72	S51-Y72 VanDerWaalsContact C-CE2 3.46Å; S51-Y72 WeakPolarHBondContact CA-OH 3.46Å; S51-Y72 WeakPolarHBondContact CB-OH 3.28Å
52	N	91.1	Very high	95.4	Very high	50 Å²	50	41.8 Å²	41.8	27%	0.267	29%	0.286	S	S	.	.			trans	-118.4	151.2	178.9	-64.7	-52.7	0	0	0	110.6	S50 W54 Y72 R117	S50-N52 WeakPolarHBondContact CB-ND2 3.39Å; S50-N52 PolarHBondContact O-N 3.12Å; S50-N52 PolarHBondContact OG-ND2 2.9Å; N52-W54 HydrophobicContact CB-CZ2 4.26Å; N52-Y72 WeakPolarHBondContact O-CD2 3.45Å; N52-R117 HydrophobicContact CB-CG 4.01Å
53	W	97.2	Very high	95.4	Very high	97 Å²	97	47.1 Å²	47.1	37%	0.367	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.3	166.4	-71.4	91.6	0	0	0	109.3	E70 Y72 S76	W53-E70 HydrophobicContact CD2-CG 4.24Å; W53-E70 HydrophobicContact CE3-CB 4.04Å; W53-E70 HydrophobicContact CE3-CG 3.44Å; W53-E70 VanDerWaalsContact CE3-CG 3.44Å; W53-E70 HydrophobicContact CZ3-CG 3.81Å; W53-Y72 AromaticContact CD1-CD2 3.92Å; W53-Y72 AromaticContact CD2-CD2 3.91Å; W53-Y72 HydrophobicContact CD2-CD2 3.91Å; W53-Y72 HydrophobicContact CD2-CG 4.32Å; W53-Y72 AromaticContact CE2-CD2 3.85Å; W53-Y72 AromaticContact CG-CD2 3.98Å; W53-Y72 HydrophobicContact CG-CD2 3.98Å; W53-Y72 HydrophobicContact CZ2-CD2 4.46Å; W53-Y72 HydrophobicContact CZ2-CG 4.34Å; W53-Y72 AromaticContact NE1-CD2 3.81Å; W53-S76 VanDerWaalsContact CZ3-O 3.29Å; W53-S76 WeakPolarHBondContact CZ3-O 3.36Å
54	W	97.9	Very high	95.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.6	179.3	-56.5	97.3	0	0	0	108.6	V21 L23 V43 I48 N52 E70 I71 F98 R117	V21-W54 HydrophobicContact CG1-CH2 4.44Å; V21-W54 HydrophobicContact CG1-CZ3 4.44Å; L23-W54 HydrophobicContact CD2-CE3 4.27Å; L23-W54 HydrophobicContact CD2-CZ3 3.86Å; V43-W54 HydrophobicContact CG1-CH2 3.71Å; V43-W54 HydrophobicContact CG1-CZ2 4.45Å; V43-W54 HydrophobicContact CG1-CZ3 4.08Å; V43-W54 HydrophobicContact CG2-CE3 4.3Å; V43-W54 HydrophobicContact CG2-CH2 4.23Å; V43-W54 HydrophobicContact CG2-CZ3 4.04Å; I48-W54 HydrophobicContact CG1-CD2 4.41Å; I48-W54 HydrophobicContact CG1-CG 4.35Å; I48-W54 HydrophobicContact CG1-CZ2 4.45Å; I48-W54 PolarHBondContact O-NE1 2.85Å; N52-W54 HydrophobicContact CB-CZ2 4.26Å; W54-E70 CarbonylContact O-C 3.59Å; W54-E70 VanDerWaalsContact O-CA 3.23Å; W54-E70 WeakPolarHBondContact O-CA 3.38Å; W54-I71 HydrophobicContact CB-CG2 4.2Å; W54-I71 PolarHBondContact N-O 2.79Å; W54-I71 PolarHBondContact O-N 2.79Å; W54-F98 HydrophobicContact CB-CD1 3.93Å; W54-F98 HydrophobicContact CB-CD2 4.02Å; W54-F98 HydrophobicContact CB-CE1 3.78Å; W54-F98 HydrophobicContact CB-CE2 3.87Å; W54-F98 HydrophobicContact CB-CG 4.06Å; W54-F98 HydrophobicContact CB-CZ 3.75Å; W54-F98 HydrophobicContact CD2-CE1 4.37Å; W54-F98 HydrophobicContact CE3-CE1 4.16Å; W54-F98 HydrophobicContact CG-CD1 4.3Å; W54-F98 HydrophobicContact CG-CE1 4.25Å; W54-R117 HydrophobicContact CD2-CG 4.44Å; W54-R117 HydrophobicContact CE3-CB 3.72Å; W54-R117 HydrophobicContact CE3-CG 3.8Å; W54-R117 HydrophobicContact CH2-CB 4.41Å; W54-R117 HydrophobicContact CH2-CG 3.95Å; W54-R117 HydrophobicContact CZ2-CG 4.5Å; W54-R117 HydrophobicContact CZ3-CB 3.54Å; W54-R117 HydrophobicContact CZ3-CG 3.54Å
55	S	98.5	Very high	95.5	Very high	14 Å²	14	52.4 Å²	52.4	10%	0.098	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	149.4	-169.8	-80	0	0	0	0	112.2	W67 G69 E70 C115 A116	S55-W67 PolarHBondContact OG-NE1 2Å; S55-G69 WeakPolarHBondContact CA-O 2.91Å; S55-E70 WeakPolarHBondContact OG-CB 3.34Å; S55-C115 CarbonylContact O-C 3.47Å; S55-C115 WeakPolarHBondContact O-CA 3.42Å; S55-A116 PolarHBondContact N-O 3.04Å; S55-A116 PolarHBondContact O-N 2.82Å
56	W	98.8	Very high	95.8	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.1	162.6	-78	100	0	0	0	109.8	E25 L39 C41 I68 G69 F98 L100	E25-W56 HydrophobicContact CG-CZ3 4.23Å; L39-W56 HydrophobicContact CB-CH2 3.61Å; L39-W56 HydrophobicContact CB-CZ2 4.07Å; L39-W56 HydrophobicContact CB-CZ3 4.04Å; L39-W56 HydrophobicContact CD1-CE3 4.37Å; L39-W56 HydrophobicContact CD1-CH2 4.37Å; L39-W56 HydrophobicContact CD1-CZ3 3.93Å; C41-W56 HydrophobicContact CB-CH2 4Å; C41-W56 HydrophobicContact CB-CZ2 3.73Å; W56-I68 HydrophobicContact CB-CB 4.2Å; W56-I68 HydrophobicContact CB-CD1 4.33Å; W56-I68 WeakPolarHBondContact O-CB 3.45Å; W56-I68 PolarHBondContact O-N 2.79Å; W56-G69 PolarHBondContact N-O 2.78Å; W56-F98 AromaticContact CD1-CD2 3.8Å; W56-F98 AromaticContact CD1-CE2 3.61Å; W56-F98 HydrophobicContact CD2-CE2 4.32Å; W56-F98 AromaticContact CE2-CE2 3.76Å; W56-F98 HydrophobicContact CG-CE2 4.26Å; W56-F98 HydrophobicContact CZ2-CE2 4.35Å; W56-F98 AromaticContact NE1-CD2 3.23Å; W56-F98 AromaticContact NE1-CE2 3.26Å; W56-F98 VanDerWaalsContact NE1-CE2 3.26Å; W56-L100 HydrophobicContact CB-CD1 4.37Å; W56-L100 HydrophobicContact CB-CD2 4.3Å; W56-L100 HydrophobicContact CD2-CB 3.82Å; W56-L100 HydrophobicContact CD2-CD2 4.23Å; W56-L100 HydrophobicContact CE3-CD2 4.45Å; W56-L100 HydrophobicContact CG-CB 3.9Å; W56-L100 HydrophobicContact CG-CD1 4.24Å; W56-L100 HydrophobicContact CG-CD2 4.18Å; W56-L100 HydrophobicContact CG-CG 4.34Å; W56-L100 HydrophobicContact CZ2-CB 4.18Å
57	V	98.7	Very high	96.2	Very high	23 Å²	23	55.7 Å²	55.7	14%	0.139	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.6	178.3	-176.4	0	0	0	0	107.9	L65 E66 Y113 Y114 A116	V57-L65 HydrophobicContact CG1-CB 3.84Å; V57-L65 HydrophobicContact CG1-CD2 3.82Å; V57-L65 HydrophobicContact CG1-CG 4.29Å; V57-E66 WeakPolarHBondContact CA-O 2.86Å; V57-E66 WeakPolarHBondContact CG1-O 2.79Å; V57-Y113 CarbonylContact O-C 3.6Å; V57-Y113 WeakPolarHBondContact O-CA 3.21Å; V57-Y114 PolarHBondContact N-O 3.39Å; V57-Y114 PolarHBondContact O-N 2.83Å; V57-A116 HydrophobicContact CG2-CB 4.49Å
58	R	98.3	Very high	96.4	Very high	15 Å²	15	53 Å²	53	6%	0.057	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	154.1	170.3	63.9	-179.3	-171.4	-179.9	4.7	112.4	E66 I68 D109 A111 V112 Y113	R58-E66 HydrophobicContact CG-CB 4.12Å; R58-E66 IonicContact CZ-OE2 3.56Å; R58-E66 PolarHBondContact N-O 2.75Å; R58-E66 IonicContact NE-OE2 3.88Å; R58-E66 PolarHBondContact NE-OE2 3.15Å; R58-E66 IonicContact NH2-OE1 3.43Å; R58-E66 IonicContact NH2-OE2 3.55Å; R58-E66 PolarHBondContact NH2-OE2 2.79Å; R58-E66 PolarHBondContact O-N 2.94Å; R58-I68 HydrophobicContact CB-CD1 3.93Å; R58-I68 HydrophobicContact CB-CG1 4.45Å; R58-I68 HydrophobicContact CG-CD1 3.94Å; R58-I68 HydrophobicContact CG-CG1 4.02Å; R58-D109 IonicContact CZ-OD1 2.82Å; R58-D109 IonicContact NH1-OD1 3.36Å; R58-D109 PolarHBondContact NH1-OD1 3.44Å; R58-A111 HydrophobicContact CB-CB 3.8Å; R58-A111 HydrophobicContact CG-CB 4.33Å; R58-V112 CarbonylContact C-O 3.53Å; R58-V112 WeakPolarHBondContact CA-O 3.5Å; R58-Y113 HydrophobicContact CB-CD1 3.84Å; R58-Y113 HydrophobicContact CB-CE1 3.83Å; R58-Y113 HydrophobicContact CB-CG 4.22Å; R58-Y113 HydrophobicContact CG-CE1 4.46Å
59	Q	98.5	Very high	96.6	Very high	75 Å²	75	53 Å²	53	35%	0.35	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	98.9	172.8	-166.8	173.5	16.8	0	0	110.1	K63 L65 A111 V112 Y114	Q59-K63 WeakPolarHBondContact CG-O 3.5Å; Q59-K63 PolarHBondContact NE2-O 3.24Å; Q59-L65 HydrophobicContact CB-CD2 3.97Å; Q59-L65 HydrophobicContact CG-CD2 4.34Å; Q59-A111 WeakPolarHBondContact O-CA 3.48Å; Q59-A111 WeakPolarHBondContact O-CB 3.23Å; Q59-V112 PolarHBondContact N-O 3.06Å; Q59-V112 PolarHBondContact O-N 2.86Å; Q59-Y114 HydrophobicContact CB-CE2 3.94Å
60	P	98	Very high	96.8	Very high	13 Å²	13	52.3 Å²	52.3	8%	0.084	30%	0.304	C	S	.	.			trans	-64.1	150.7	171.8	-19.1	31.6	0	0	0	111.5	G62 K63 A111	P60-G62 PolarHBondContact O-N 2.85Å; P60-K63 HydrophobicContact CB-CB 4.09Å; P60-K63 HydrophobicContact CB-CD 4.04Å; P60-K63 HydrophobicContact CB-CG 4.25Å; P60-K63 HydrophobicContact CG-CB 4.37Å; P60-K63 HydrophobicContact CG-CD 4.35Å; P60-K63 PolarHBondContact O-N 2.72Å; P60-A111 HydrophobicContact CB-CB 4.48Å; P60-A111 HydrophobicContact CG-CB 4.32Å
61	P	97.8	Very high	97.3	Very high	99 Å²	99	50.9 Å²	50.9	64%	0.643	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	128.7	177.7	-25.4	33.1	0	0	0	112.1	K63 T110	P61-K63 PolarHBondContact O-N 2.88Å; P61-T110 WeakPolarHBondContact CD-O 3.21Å
62	G	97.9	Very high	97.8	Very high	92 Å²	92	49.3 Å²	49.3	95%	0.948	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	11.2	-179.9	0	0	0	0	0	115.1	P60	P60-G62 PolarHBondContact O-N 2.85Å
63	K	97.3	Very high	98	Very high	146 Å²	146	49.1 Å²	49.1	64%	0.635	27%	0.272	S	S	*	.	S	Bend	trans	-120.9	166.7	177.8	-59.3	-169	-176.9	178.8	0	111.8	Q59 P60 P61	Q59-K63 WeakPolarHBondContact CG-O 3.5Å; Q59-K63 PolarHBondContact NE2-O 3.24Å; P60-K63 HydrophobicContact CB-CB 4.09Å; P60-K63 HydrophobicContact CB-CD 4.04Å; P60-K63 HydrophobicContact CB-CG 4.25Å; P60-K63 HydrophobicContact CG-CB 4.37Å; P60-K63 HydrophobicContact CG-CD 4.35Å; P60-K63 PolarHBondContact O-N 2.72Å; P61-K63 PolarHBondContact O-N 2.88Å
64	G	97.4	Very high	97.9	Very high	54 Å²	54	48 Å²	48	56%	0.557	28%	0.279	S	S	*	.			trans	-73	179.9	171.7	0	0	0	0	0	113
65	L	98.2	Very high	97.9	Very high	120 Å²	120	49.8 Å²	49.8	63%	0.628	30%	0.298	S	S	*	.			trans	-68.3	137	173.5	-65.3	171.3	0	0	0	110.7	V57 Q59 Y114	V57-L65 HydrophobicContact CG1-CB 3.84Å; V57-L65 HydrophobicContact CG1-CD2 3.82Å; V57-L65 HydrophobicContact CG1-CG 4.29Å; Q59-L65 HydrophobicContact CB-CD2 3.97Å; Q59-L65 HydrophobicContact CG-CD2 4.34Å; L65-Y114 HydrophobicContact CD2-CD2 4.27Å; L65-Y114 HydrophobicContact CD2-CE2 4.34Å
66	E	98.3	Very high	97.8	Very high	54 Å²	54	52 Å²	52	25%	0.252	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.2	173.5	-177.3	-177.6	-165	0	0	108.7	V57 R58	V57-E66 WeakPolarHBondContact CA-O 2.86Å; V57-E66 WeakPolarHBondContact CG1-O 2.79Å; R58-E66 HydrophobicContact CG-CB 4.12Å; R58-E66 IonicContact CZ-OE2 3.56Å; R58-E66 PolarHBondContact N-O 2.75Å; R58-E66 IonicContact NE-OE2 3.88Å; R58-E66 PolarHBondContact NE-OE2 3.15Å; R58-E66 IonicContact NH2-OE1 3.43Å; R58-E66 IonicContact NH2-OE2 3.55Å; R58-E66 PolarHBondContact NH2-OE2 2.79Å; R58-E66 PolarHBondContact O-N 2.94Å
67	W	98.5	Very high	97.8	Very high	82 Å²	82	54.7 Å²	54.7	31%	0.311	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	135	173.8	177.2	81.9	0	0	0	110.4	S55 G69 E70 N78 N80	S55-W67 PolarHBondContact OG-NE1 2Å; W67-G69 VanDerWaalsContact CZ2-CA 3.43Å; W67-E70 HydrophobicContact CZ2-CB 4.17Å; W67-E70 HydrophobicContact CZ2-CG 3.82Å; W67-N78 HydrophobicContact CH2-CB 4.24Å; W67-N80 HydrophobicContact CE3-CB 3.83Å; W67-N80 HydrophobicContact CZ3-CB 4.01Å; W67-N80 VanDerWaalsContact O-CB 3.29Å; W67-N80 WeakPolarHBondContact O-CB 3.48Å; W67-N80 PolarHBondContact O-ND2 2.91Å
68	I	98.7	Very high	97.8	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-45.5	-177.7	-60	177.6	0	0	0	110.9	W56 R58 N80 L83 V87 L100 Y113	W56-I68 HydrophobicContact CB-CB 4.2Å; W56-I68 HydrophobicContact CB-CD1 4.33Å; W56-I68 WeakPolarHBondContact O-CB 3.45Å; W56-I68 PolarHBondContact O-N 2.79Å; R58-I68 HydrophobicContact CB-CD1 3.93Å; R58-I68 HydrophobicContact CB-CG1 4.45Å; R58-I68 HydrophobicContact CG-CD1 3.94Å; R58-I68 HydrophobicContact CG-CG1 4.02Å; I68-N80 WeakPolarHBondContact O-CB 3.2Å; I68-N80 PolarHBondContact O-N 3.17Å; I68-L83 HydrophobicContact CB-CD1 4.39Å; I68-L83 HydrophobicContact CG1-CD1 4.12Å; I68-L83 HydrophobicContact CG2-CD1 4.16Å; I68-V87 HydrophobicContact CG2-CB 4.5Å; I68-V87 HydrophobicContact CG2-CG1 3.95Å; I68-V87 HydrophobicContact CG2-CG2 3.82Å; I68-L100 HydrophobicContact CD1-CD2 3.89Å; I68-L100 HydrophobicContact CG2-CD1 3.92Å; I68-Y113 HydrophobicContact CD1-CD1 3.66Å; I68-Y113 HydrophobicContact CD1-CE1 3.55Å
69	G	98.6	Very high	97.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	171.7	-172.7	0	0	0	0	0	111.3	S55 W56 W67 N78	S55-G69 WeakPolarHBondContact CA-O 2.91Å; W56-G69 PolarHBondContact N-O 2.78Å; W67-G69 VanDerWaalsContact CZ2-CA 3.43Å; G69-N78 CarbonylContact C-O 3.51Å; G69-N78 WeakPolarHBondContact CA-O 3.46Å
70	E	98.5	Very high	97.8	Very high	39 Å²	39	56.2 Å²	56.2	18%	0.182	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.3	-177.9	65.6	-170.6	173	0	0	111.2	W53 W54 S55 W67 T77 N78	W53-E70 HydrophobicContact CD2-CG 4.24Å; W53-E70 HydrophobicContact CE3-CB 4.04Å; W53-E70 HydrophobicContact CE3-CG 3.44Å; W53-E70 VanDerWaalsContact CE3-CG 3.44Å; W53-E70 HydrophobicContact CZ3-CG 3.81Å; W54-E70 CarbonylContact O-C 3.59Å; W54-E70 VanDerWaalsContact O-CA 3.23Å; W54-E70 WeakPolarHBondContact O-CA 3.38Å; S55-E70 WeakPolarHBondContact OG-CB 3.34Å; W67-E70 HydrophobicContact CZ2-CB 4.17Å; W67-E70 HydrophobicContact CZ2-CG 3.82Å; E70-T77 VanDerWaalsContact O-CA 3.28Å; E70-T77 WeakPolarHBondContact O-CA 3.3Å; E70-N78 HydrophobicContact CG-CB 3.86Å; E70-N78 PolarHBondContact N-O 2.88Å; E70-N78 PolarHBondContact O-N 2.9Å
71	I	98.5	Very high	97.8	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136.3	175.8	-172.1	161.1	0	0	0	110.8	W54 S76 T77 I89 V91 F98	W54-I71 HydrophobicContact CB-CG2 4.2Å; W54-I71 PolarHBondContact N-O 2.79Å; W54-I71 PolarHBondContact O-N 2.79Å; I71-S76 CarbonylContact C-O 3.58Å; I71-S76 WeakPolarHBondContact CA-O 3.19Å; I71-T77 HydrophobicContact CB-CG2 4.11Å; I71-T77 HydrophobicContact CD1-CG2 3.87Å; I71-T77 HydrophobicContact CG1-CG2 3.85Å; I71-I89 HydrophobicContact CB-CB 4.45Å; I71-I89 HydrophobicContact CB-CG2 3.59Å; I71-I89 HydrophobicContact CD1-CG2 4.16Å; I71-I89 HydrophobicContact CG1-CG2 4.49Å; I71-I89 HydrophobicContact CG2-CG2 3.46Å; I71-I89 VanDerWaalsContact CG2-CG2 3.46Å; I71-V91 HydrophobicContact CD1-CB 3.94Å; I71-V91 HydrophobicContact CD1-CG1 4.04Å; I71-F98 HydrophobicContact CG2-CB 4.11Å; I71-F98 HydrophobicContact CG2-CD2 4.15Å; I71-F98 HydrophobicContact CG2-CG 4.38Å
72	Y	97.5	Very high	97.7	Very high	55 Å²	55	60.8 Å²	60.8	22%	0.216	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	157.8	170.5	-161.1	-121.5	0	0	0	110.5	S51 N52 W53 S74 G75 S76	S51-Y72 VanDerWaalsContact C-CE2 3.46Å; S51-Y72 WeakPolarHBondContact CA-OH 3.46Å; S51-Y72 WeakPolarHBondContact CB-OH 3.28Å; N52-Y72 WeakPolarHBondContact O-CD2 3.45Å; W53-Y72 AromaticContact CD1-CD2 3.92Å; W53-Y72 AromaticContact CD2-CD2 3.91Å; W53-Y72 HydrophobicContact CD2-CD2 3.91Å; W53-Y72 HydrophobicContact CD2-CG 4.32Å; W53-Y72 AromaticContact CE2-CD2 3.85Å; W53-Y72 AromaticContact CG-CD2 3.98Å; W53-Y72 HydrophobicContact CG-CD2 3.98Å; W53-Y72 HydrophobicContact CZ2-CD2 4.46Å; W53-Y72 HydrophobicContact CZ2-CG 4.34Å; W53-Y72 AromaticContact NE1-CD2 3.81Å; Y72-S74 WeakPolarHBondContact CD1-OG 3.47Å; Y72-S74 PolarHBondContact O-N 2.96Å; Y72-G75 PolarHBondContact O-N 2.95Å; Y72-S76 PolarHBondContact N-O 3.22Å
73	H	95.5	Very high	97.7	Very high	46 Å²	46	56.6 Å²	56.6	21%	0.213	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21.2	-179.1	75	-90.9	0	0	0	114.2	I48 S50 G75 K93	I48-H73 VanDerWaalsContact O-CB 3.27Å; I48-H73 WeakPolarHBondContact O-CB 3.44Å; S50-H73 PolarHBondContact O-ND1 3.47Å; S50-H73 VanDerWaalsContact O-ND1 3.12Å; H73-G75 PolarHBondContact O-N 2.77Å; H73-K93 WeakPolarHBondContact O-CE 3.45Å; H73-K93 PolarHBondContact O-NZ 2.73Å
74	S	95.5	Very high	97.8	Very high	73 Å²	73	56 Å²	56	51%	0.51	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-10.8	173.6	64.5	0	0	0	0	113.3	Y72 S76	Y72-S74 WeakPolarHBondContact CD1-OG 3.47Å; Y72-S74 PolarHBondContact O-N 2.96Å; S74-S76 PolarHBondContact OG-N 2.89Å; S74-S76 PolarHBondContact OG-OG 3.36Å; S74-S76 VanDerWaalsContact OG-OG 3.04Å
75	G	96	Very high	97.8	Very high	38 Å²	38	58.7 Å²	58.7	39%	0.392	33%	0.334	S	S	.	.	S	Bend	trans	92.8	0.7	-171.4	0	0	0	0	0	114	Y72 H73 T77	Y72-G75 PolarHBondContact O-N 2.95Å; H73-G75 PolarHBondContact O-N 2.77Å; G75-T77 PolarHBondContact O-N 2.79Å
76	S	97.5	Very high	97.8	Very high	62 Å²	62	55.4 Å²	55.4	43%	0.434	31%	0.313	S	S	.	.			trans	-64.3	133	172.5	-59	0	0	0	0	110.2	W53 I71 Y72 S74	W53-S76 VanDerWaalsContact CZ3-O 3.29Å; W53-S76 WeakPolarHBondContact CZ3-O 3.36Å; I71-S76 CarbonylContact C-O 3.58Å; I71-S76 WeakPolarHBondContact CA-O 3.19Å; Y72-S76 PolarHBondContact N-O 3.22Å; S74-S76 PolarHBondContact OG-N 2.89Å; S74-S76 PolarHBondContact OG-OG 3.36Å; S74-S76 VanDerWaalsContact OG-OG 3.04Å
77	T	98.4	Very high	97.8	Very high	56 Å²	56	53.2 Å²	53.2	34%	0.344	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145	-176.9	56.1	0	0	0	0	112.2	E70 I71 G75 Y79	E70-T77 VanDerWaalsContact O-CA 3.28Å; E70-T77 WeakPolarHBondContact O-CA 3.3Å; I71-T77 HydrophobicContact CB-CG2 4.11Å; I71-T77 HydrophobicContact CD1-CG2 3.87Å; I71-T77 HydrophobicContact CG1-CG2 3.85Å; G75-T77 PolarHBondContact O-N 2.79Å; T77-Y79 WeakPolarHBondContact CB-OH 3.18Å; T77-Y79 WeakPolarHBondContact CG2-OH 3.36Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.23Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.44Å; T77-Y79 PolarHBondContact OG1-OH 2.85Å
78	N	98.4	Very high	97.8	Very high	84 Å²	84	53.2 Å²	53.2	45%	0.449	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.6	167.8	-168.3	8	0	0	0	109.3	W67 G69 E70	W67-N78 HydrophobicContact CH2-CB 4.24Å; G69-N78 CarbonylContact C-O 3.51Å; G69-N78 WeakPolarHBondContact CA-O 3.46Å; E70-N78 HydrophobicContact CG-CB 3.86Å; E70-N78 PolarHBondContact N-O 2.88Å; E70-N78 PolarHBondContact O-N 2.9Å
79	Y	98.7	Very high	97.8	Very high	37 Å²	37	53.5 Å²	53.5	15%	0.145	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	148.2	-171.3	-60.5	-74.9	0	0	0	111.3	T77 P81 K84 V87 I89	T77-Y79 WeakPolarHBondContact CB-OH 3.18Å; T77-Y79 WeakPolarHBondContact CG2-OH 3.36Å; T77-Y79 VanDerWaalsContact OG1-CE2 3.23Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.44Å; T77-Y79 PolarHBondContact OG1-OH 2.85Å; Y79-P81 WeakPolarHBondContact O-CD 3.23Å; Y79-K84 HydrophobicContact CD2-CG 4.18Å; Y79-K84 HydrophobicContact CG-CG 4.31Å; Y79-V87 HydrophobicContact CD1-CB 4.33Å; Y79-V87 HydrophobicContact CD1-CG1 3.73Å; Y79-V87 HydrophobicContact CE1-CG1 3.73Å; Y79-I89 HydrophobicContact CD1-CD1 4.13Å; Y79-I89 HydrophobicContact CE1-CB 4.22Å; Y79-I89 HydrophobicContact CE1-CD1 3.79Å; Y79-I89 HydrophobicContact CE1-CG1 3.87Å; Y79-I89 PolarHBondContact OH-N 2.76Å
80	N	98.3	Very high	97.8	Very high	25 Å²	25	56.2 Å²	56.2	13%	0.134	33%	0.333	C	S	.	.			trans	-61.3	121.2	165.4	-177.3	-30.2	0	0	0	108.7	W67 I68 S82 L83 K84	W67-N80 HydrophobicContact CE3-CB 3.83Å; W67-N80 HydrophobicContact CZ3-CB 4.01Å; W67-N80 VanDerWaalsContact O-CB 3.29Å; W67-N80 WeakPolarHBondContact O-CB 3.48Å; W67-N80 PolarHBondContact O-ND2 2.91Å; I68-N80 WeakPolarHBondContact O-CB 3.2Å; I68-N80 PolarHBondContact O-N 3.17Å; N80-S82 PolarHBondContact O-N 2.82Å; N80-S82 VanDerWaalsContact O-N 3.08Å; N80-S82 WeakPolarHBondContact OD1-CB 3.37Å; N80-S82 PolarHBondContact OD1-N 3.36Å; N80-S82 PolarHBondContact OD1-OG 2.8Å; N80-L83 PolarHBondContact O-N 3.01Å; N80-K84 PolarHBondContact O-N 3.27Å
81	P	98.2	Very high	97.7	Very high	111 Å²	111	56.2 Å²	56.2	72%	0.721	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-35.1	-177.6	-29.3	36.3	0	0	0	113.9	Y79 L83	Y79-P81 WeakPolarHBondContact O-CD 3.23Å; P81-L83 VanDerWaalsContact C-N 3.25Å; P81-L83 PolarHBondContact O-N 3.32Å
82	S	96.8	Very high	97.7	Very high	96 Å²	96	58.6 Å²	58.6	67%	0.671	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-20.6	-179.4	-54.9	0	0	0	0	113.9	N80	N80-S82 PolarHBondContact O-N 2.82Å; N80-S82 VanDerWaalsContact O-N 3.08Å; N80-S82 WeakPolarHBondContact OD1-CB 3.37Å; N80-S82 PolarHBondContact OD1-N 3.36Å; N80-S82 PolarHBondContact OD1-OG 2.8Å
83	L	97.6	Very high	97.6	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-13	-176.4	-62.9	175.4	0	0	0	113.1	I68 N80 P81 S85 R86 V87	I68-L83 HydrophobicContact CB-CD1 4.39Å; I68-L83 HydrophobicContact CG1-CD1 4.12Å; I68-L83 HydrophobicContact CG2-CD1 4.16Å; N80-L83 PolarHBondContact O-N 3.01Å; P81-L83 VanDerWaalsContact C-N 3.25Å; P81-L83 PolarHBondContact O-N 3.32Å; L83-S85 PolarHBondContact O-N 3.32Å; L83-R86 PolarHBondContact O-N 3.02Å; L83-V87 HydrophobicContact CB-CG2 3.87Å; L83-V87 WeakPolarHBondContact O-CG2 3.29Å; L83-V87 PolarHBondContact O-N 3.12Å
84	K	97.8	Very high	97.6	Very high	134 Å²	134	63.8 Å²	63.8	58%	0.583	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-34.1	-172.6	-175.2	174	-178.2	176.9	0	114.4	Y79 N80 R86	Y79-K84 HydrophobicContact CD2-CG 4.18Å; Y79-K84 HydrophobicContact CG-CG 4.31Å; N80-K84 PolarHBondContact O-N 3.27Å; K84-R86 VanDerWaalsContact C-N 3.26Å; K84-R86 PolarHBondContact O-N 3.39Å
85	S	97.9	Very high	97.7	Very high	110 Å²	110	66.2 Å²	66.2	77%	0.769	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.6	-179.1	58.6	0	0	0	0	114.4	L83	L83-S85 PolarHBondContact O-N 3.32Å
86	R	97.9	Very high	97.8	Very high	51 Å²	51	66.2 Å²	66.2	19%	0.192	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-10.1	-175.7	-59.4	-172.1	-60.9	131.6	0.4	113.6	L83 K84 L102 S103 S104 D109	L83-R86 PolarHBondContact O-N 3.02Å; K84-R86 VanDerWaalsContact C-N 3.26Å; K84-R86 PolarHBondContact O-N 3.39Å; R86-L102 HydrophobicContact CB-CD1 3.8Å; R86-L102 CarbonylContact O-C 3.47Å; R86-L102 WeakPolarHBondContact O-CA 3.4Å; R86-S103 PolarHBondContact NH1-O 3.24Å; R86-S103 PolarHBondContact O-N 3.4Å; R86-S103 PolarHBondContact O-OG 2.89Å; R86-S104 PolarHBondContact NH1-O 3.02Å; R86-D109 IonicContact CZ-OD1 2.79Å; R86-D109 IonicContact CZ-OD2 2.72Å; R86-D109 IonicContact NH1-OD1 2.76Å; R86-D109 IonicContact NH1-OD2 2.75Å; R86-D109 PolarHBondContact NH1-OD2 3Å; R86-D109 IonicContact NH2-OD1 3.16Å; R86-D109 PolarHBondContact NH2-OD1 2.82Å; R86-D109 IonicContact NH2-OD2 3.66Å; R86-D109 PolarHBondContact NH2-OD2 2.64Å
87	V	98.6	Very high	97.8	Very high	8 Å²	8	66 Å²	66	5%	0.048	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.5	-173.3	170.8	0	0	0	0	111.5	I68 Y79 L83 I89 L100 K101 L102	I68-V87 HydrophobicContact CG2-CB 4.5Å; I68-V87 HydrophobicContact CG2-CG1 3.95Å; I68-V87 HydrophobicContact CG2-CG2 3.82Å; Y79-V87 HydrophobicContact CD1-CB 4.33Å; Y79-V87 HydrophobicContact CD1-CG1 3.73Å; Y79-V87 HydrophobicContact CE1-CG1 3.73Å; L83-V87 HydrophobicContact CB-CG2 3.87Å; L83-V87 WeakPolarHBondContact O-CG2 3.29Å; L83-V87 PolarHBondContact O-N 3.12Å; V87-I89 HydrophobicContact CG1-CD1 4.39Å; V87-I89 HydrophobicContact CG1-CG1 4.06Å; V87-L100 HydrophobicContact CG1-CD1 3.48Å; V87-L100 VanDerWaalsContact CG1-CD1 3.48Å; V87-K101 CarbonylContact C-O 3.54Å; V87-K101 WeakPolarHBondContact CA-O 3.37Å; V87-L102 HydrophobicContact CG2-CD1 3.65Å
88	T	98.6	Very high	97.8	Very high	82 Å²	82	63.3 Å²	63.3	50%	0.503	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.9	166.2	-58.8	0	0	0	0	108.8	K101	T88-K101 PolarHBondContact N-O 2.62Å; T88-K101 PolarHBondContact O-N 3.04Å
89	I	98.7	Very high	97.8	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.041	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.6	174.2	-59.7	165.7	0	0	0	108.5	I71 Y79 V87 S99 L100	I71-I89 HydrophobicContact CB-CB 4.45Å; I71-I89 HydrophobicContact CB-CG2 3.59Å; I71-I89 HydrophobicContact CD1-CG2 4.16Å; I71-I89 HydrophobicContact CG1-CG2 4.49Å; I71-I89 HydrophobicContact CG2-CG2 3.46Å; I71-I89 VanDerWaalsContact CG2-CG2 3.46Å; Y79-I89 HydrophobicContact CD1-CD1 4.13Å; Y79-I89 HydrophobicContact CE1-CB 4.22Å; Y79-I89 HydrophobicContact CE1-CD1 3.79Å; Y79-I89 HydrophobicContact CE1-CG1 3.87Å; Y79-I89 PolarHBondContact OH-N 2.76Å; V87-I89 HydrophobicContact CG1-CD1 4.39Å; V87-I89 HydrophobicContact CG1-CG1 4.06Å; I89-S99 VanDerWaalsContact CA-O 3.28Å; I89-S99 WeakPolarHBondContact CA-O 3.42Å; I89-S99 WeakPolarHBondContact CG2-O 3.37Å; I89-L100 HydrophobicContact CD1-CD1 4.26Å; I89-L100 HydrophobicContact CG1-CD1 3.65Å
90	S	98.2	Very high	97.8	Very high	56 Å²	56	58.9 Å²	58.9	39%	0.392	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.5	-179.2	60.7	0	0	0	0	111.7	F98 S99	S90-F98 CarbonylContact O-C 3.54Å; S90-F98 WeakPolarHBondContact O-CA 3.28Å; S90-F98 WeakPolarHBondContact O-CB 3.23Å; S90-S99 PolarHBondContact N-O 3.49Å; S90-S99 PolarHBondContact O-N 3.08Å
91	V	97.8	Very high	97.8	Very high	40 Å²	40	63 Å²	63	24%	0.242	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.1	178.6	64.9	0	0	0	0	110.8	I48 I71 K93	I48-V91 HydrophobicContact CD1-CG2 3.62Å; I48-V91 HydrophobicContact CG1-CG2 3.86Å; I48-V91 HydrophobicContact CG2-CG2 4.27Å; I71-V91 HydrophobicContact CD1-CB 3.94Å; I71-V91 HydrophobicContact CD1-CG1 4.04Å; V91-K93 HydrophobicContact CG2-CG 4.32Å
92	D	97.2	Very high	97.9	Very high	53 Å²	53	57.9 Å²	57.9	28%	0.283	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	94.7	171.2	-173.8	-18.8	0	0	0	108.7	S94 K95 N96 Q97	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 2.89Å; D92-S94 WeakPolarHBondContact OD1-CB 3.44Å; D92-S94 PolarHBondContact OD1-N 3.01Å; D92-S94 VanDerWaalsContact OD1-N 3.1Å; D92-S94 PolarHBondContact OD1-OG 2.81Å; D92-K95 HydrophobicContact CB-CB 4.47Å; D92-K95 PolarHBondContact O-N 2.88Å; D92-K95 PolarHBondContact OD1-N 3.1Å; D92-K95 WeakPolarHBondContact OD2-CD 3.49Å; D92-K95 VanDerWaalsContact OD2-CE 3.3Å; D92-K95 WeakPolarHBondContact OD2-CE 3.35Å; D92-K95 WeakPolarHBondContact OD2-CG 3.49Å; D92-K95 IonicContact OD2-NZ 3.51Å; D92-K95 PolarHBondContact OD2-NZ 3.18Å; D92-N96 PolarHBondContact O-N 2.92Å; D92-N96 VanDerWaalsContact O-N 3.13Å; D92-Q97 CarbonylContact C-O 3.6Å; D92-Q97 PolarHBondContact N-O 2.97Å; D92-Q97 PolarHBondContact O-N 3.38Å
93	K	96.3	Very high	97.9	Very high	104 Å²	104	55.3 Å²	55.3	45%	0.452	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-64.5	-33.1	-178.9	-63.7	178.6	-177.2	175.1	0	112.4	I48 H73 V91 K95 N96	I48-K93 HydrophobicContact CG2-CB 4.45Å; I48-K93 HydrophobicContact CG2-CG 4.26Å; H73-K93 WeakPolarHBondContact O-CE 3.45Å; H73-K93 PolarHBondContact O-NZ 2.73Å; V91-K93 HydrophobicContact CG2-CG 4.32Å; K93-K95 PolarHBondContact O-N 2.87Å; K93-N96 PolarHBondContact O-N 2.84Å
94	S	96.1	Very high	97.9	Very high	107 Å²	107	58.2 Å²	58.2	75%	0.748	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-65.8	-28.2	-178.3	75.2	0	0	0	0	112.1	D92	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 2.89Å; D92-S94 WeakPolarHBondContact OD1-CB 3.44Å; D92-S94 PolarHBondContact OD1-N 3.01Å; D92-S94 VanDerWaalsContact OD1-N 3.1Å; D92-S94 PolarHBondContact OD1-OG 2.81Å
95	K	97.5	Very high	97.9	Very high	124 Å²	124	52.7 Å²	52.7	54%	0.539	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-104.3	1.6	178.6	-60.7	-176.1	-168.8	154.8	0	114	D92 K93 Q97	D92-K95 HydrophobicContact CB-CB 4.47Å; D92-K95 PolarHBondContact O-N 2.88Å; D92-K95 PolarHBondContact OD1-N 3.1Å; D92-K95 WeakPolarHBondContact OD2-CD 3.49Å; D92-K95 VanDerWaalsContact OD2-CE 3.3Å; D92-K95 WeakPolarHBondContact OD2-CE 3.35Å; D92-K95 WeakPolarHBondContact OD2-CG 3.49Å; D92-K95 IonicContact OD2-NZ 3.51Å; D92-K95 PolarHBondContact OD2-NZ 3.18Å; K93-K95 PolarHBondContact O-N 2.87Å; K95-Q97 VanDerWaalsContact C-N 3.28Å; K95-Q97 HydrophobicContact CB-CB 4.26Å; K95-Q97 HydrophobicContact CB-CG 4.28Å; K95-Q97 WeakPolarHBondContact O-CG 3.09Å; K95-Q97 PolarHBondContact O-N 3.37Å; K95-Q97 PolarHBondContact O-NE2 2.95Å; K95-Q97 VanDerWaalsContact O-NE2 3.15Å
96	N	97.1	Very high	97.9	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.203	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	53	44.5	-173.8	-151.9	36.4	0	0	0	112.8	V43 G46 I48 D92 K93	V43-N96 WeakPolarHBondContact CB-O 3.28Å; V43-N96 PolarHBondContact N-O 2.97Å; V43-N96 PolarHBondContact O-ND2 3.37Å; G46-N96 PolarHBondContact O-ND2 2.94Å; I48-N96 WeakPolarHBondContact CB-OD1 3.45Å; I48-N96 WeakPolarHBondContact CG2-OD1 3.49Å; I48-N96 PolarHBondContact N-OD1 3.03Å; D92-N96 PolarHBondContact O-N 2.92Å; D92-N96 VanDerWaalsContact O-N 3.13Å; K93-N96 PolarHBondContact O-N 2.84Å
97	Q	98.2	Very high	97.9	Very high	57 Å²	57	52.6 Å²	52.6	27%	0.266	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.3	-170.7	-79.5	164.2	46.1	0	0	112.3	T40 C41 A42 I48 D92 K95	T40-Q97 HydrophobicContact CG2-CB 4.18Å; T40-Q97 HydrophobicContact CG2-CG 4.07Å; C41-Q97 WeakPolarHBondContact O-CA 3.46Å; C41-Q97 WeakPolarHBondContact O-CB 3.43Å; C41-Q97 WeakPolarHBondContact O-CG 3.41Å; A42-Q97 HydrophobicContact CB-CG 4.04Å; I48-Q97 VanDerWaalsContact CD1-O 3.23Å; I48-Q97 WeakPolarHBondContact CD1-O 3.48Å; D92-Q97 CarbonylContact C-O 3.6Å; D92-Q97 PolarHBondContact N-O 2.97Å; D92-Q97 PolarHBondContact O-N 3.38Å; K95-Q97 VanDerWaalsContact C-N 3.28Å; K95-Q97 HydrophobicContact CB-CB 4.26Å; K95-Q97 HydrophobicContact CB-CG 4.28Å; K95-Q97 WeakPolarHBondContact O-CG 3.09Å; K95-Q97 PolarHBondContact O-N 3.37Å; K95-Q97 PolarHBondContact O-NE2 2.95Å; K95-Q97 VanDerWaalsContact O-NE2 3.15Å
98	F	98.2	Very high	97.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	159.4	163.2	62.9	-69.5	0	0	0	109.8	C41 V43 I48 W54 W56 I71 S90 C115	C41-F98 HydrophobicContact CB-CD1 3.71Å; C41-F98 HydrophobicContact CB-CD2 4.41Å; C41-F98 HydrophobicContact CB-CE1 3.36Å; C41-F98 HydrophobicContact CB-CE2 4.11Å; C41-F98 HydrophobicContact CB-CG 4.22Å; C41-F98 HydrophobicContact CB-CZ 3.58Å; C41-F98 PolarHBondContact N-O 3.04Å; C41-F98 PolarHBondContact O-N 3.32Å; C41-F98 VanDerWaalsContact O-N 3.12Å; C41-F98 WeakPolarHBondContact SG-CE1 3.32Å; V43-F98 HydrophobicContact CG2-CD1 4.33Å; V43-F98 HydrophobicContact CG2-CE1 4.23Å; I48-F98 HydrophobicContact CD1-CB 3.88Å; I48-F98 HydrophobicContact CD1-CD1 3.78Å; I48-F98 HydrophobicContact CD1-CG 4.28Å; W54-F98 HydrophobicContact CB-CD1 3.93Å; W54-F98 HydrophobicContact CB-CD2 4.02Å; W54-F98 HydrophobicContact CB-CE1 3.78Å; W54-F98 HydrophobicContact CB-CE2 3.87Å; W54-F98 HydrophobicContact CB-CG 4.06Å; W54-F98 HydrophobicContact CB-CZ 3.75Å; W54-F98 HydrophobicContact CD2-CE1 4.37Å; W54-F98 HydrophobicContact CE3-CE1 4.16Å; W54-F98 HydrophobicContact CG-CD1 4.3Å; W54-F98 HydrophobicContact CG-CE1 4.25Å; W56-F98 AromaticContact CD1-CD2 3.8Å; W56-F98 AromaticContact CD1-CE2 3.61Å; W56-F98 HydrophobicContact CD2-CE2 4.32Å; W56-F98 AromaticContact CE2-CE2 3.76Å; W56-F98 HydrophobicContact CG-CE2 4.26Å; W56-F98 HydrophobicContact CZ2-CE2 4.35Å; W56-F98 AromaticContact NE1-CD2 3.23Å; W56-F98 AromaticContact NE1-CE2 3.26Å; W56-F98 VanDerWaalsContact NE1-CE2 3.26Å; I71-F98 HydrophobicContact CG2-CB 4.11Å; I71-F98 HydrophobicContact CG2-CD2 4.15Å; I71-F98 HydrophobicContact CG2-CG 4.38Å; S90-F98 CarbonylContact O-C 3.54Å; S90-F98 WeakPolarHBondContact O-CA 3.28Å; S90-F98 WeakPolarHBondContact O-CB 3.23Å; F98-C115 HydrophobicContact CZ-CB 3.86Å
99	S	98.6	Very high	97.7	Very high	26 Å²	26	52.1 Å²	52.1	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	150.8	-171.8	-64.1	0	0	0	0	111.5	L39 T40 I89 S90	L39-S99 CarbonylContact O-C 3.58Å; L39-S99 WeakPolarHBondContact O-CA 3.14Å; L39-S99 WeakPolarHBondContact O-CB 3.31Å; T40-S99 PolarHBondContact OG1-OG 3.06Å; T40-S99 VanDerWaalsContact OG1-OG 3.12Å; I89-S99 VanDerWaalsContact CA-O 3.28Å; I89-S99 WeakPolarHBondContact CA-O 3.42Å; I89-S99 WeakPolarHBondContact CG2-O 3.37Å; S90-S99 PolarHBondContact N-O 3.49Å; S90-S99 PolarHBondContact O-N 3.08Å
100	L	98.8	Very high	97.7	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.2	174.1	179.8	74	0	0	0	108.5	S38 L39 W56 I68 V87 I89 Y113	S38-L100 WeakPolarHBondContact CA-O 3.36Å; L39-L100 HydrophobicContact CB-CB 4.32Å; L39-L100 HydrophobicContact CD1-CD2 4.17Å; L39-L100 PolarHBondContact N-O 3.31Å; L39-L100 PolarHBondContact O-N 3.3Å; W56-L100 HydrophobicContact CB-CD1 4.37Å; W56-L100 HydrophobicContact CB-CD2 4.3Å; W56-L100 HydrophobicContact CD2-CB 3.82Å; W56-L100 HydrophobicContact CD2-CD2 4.23Å; W56-L100 HydrophobicContact CE3-CD2 4.45Å; W56-L100 HydrophobicContact CG-CB 3.9Å; W56-L100 HydrophobicContact CG-CD1 4.24Å; W56-L100 HydrophobicContact CG-CD2 4.18Å; W56-L100 HydrophobicContact CG-CG 4.34Å; W56-L100 HydrophobicContact CZ2-CB 4.18Å; I68-L100 HydrophobicContact CD1-CD2 3.89Å; I68-L100 HydrophobicContact CG2-CD1 3.92Å; V87-L100 HydrophobicContact CG1-CD1 3.48Å; V87-L100 VanDerWaalsContact CG1-CD1 3.48Å; I89-L100 HydrophobicContact CD1-CD1 4.26Å; I89-L100 HydrophobicContact CG1-CD1 3.65Å; L100-Y113 HydrophobicContact CD2-CD1 4Å; L100-Y113 HydrophobicContact CD2-CE1 4.15Å
101	K	98.7	Very high	97.7	Very high	112 Å²	112	54.6 Å²	54.6	49%	0.487	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.4	163.4	-68.8	-176	177.3	178.6	0	109.1	T36 L37 V87 T88	T36-K101 HydrophobicContact CG2-CB 4.35Å; L37-K101 CarbonylContact O-C 3.45Å; L37-K101 WeakPolarHBondContact O-CA 3.32Å; V87-K101 CarbonylContact C-O 3.54Å; V87-K101 WeakPolarHBondContact CA-O 3.37Å; T88-K101 PolarHBondContact N-O 2.62Å; T88-K101 PolarHBondContact O-N 3.04Å
102	L	98.6	Very high	97.7	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.1	173.6	174.5	66.9	0	0	0	108.3	T36 L37 R86 V87 V105 D109	T36-L102 CarbonylContact C-O 3.53Å; T36-L102 VanDerWaalsContact CA-O 3.32Å; T36-L102 WeakPolarHBondContact CA-O 3.45Å; L37-L102 HydrophobicContact CB-CB 4.28Å; L37-L102 PolarHBondContact N-O 3.1Å; L37-L102 PolarHBondContact O-N 3.47Å; R86-L102 HydrophobicContact CB-CD1 3.8Å; R86-L102 CarbonylContact O-C 3.47Å; R86-L102 WeakPolarHBondContact O-CA 3.4Å; V87-L102 HydrophobicContact CG2-CD1 3.65Å; L102-V105 HydrophobicContact CD2-CG2 4.48Å; L102-V105 HydrophobicContact CG-CG2 4.32Å; L102-V105 WeakPolarHBondContact O-CG2 3.38Å; L102-D109 HydrophobicContact CD2-CB 3.88Å
103	S	98.2	Very high	97.8	Very high	43 Å²	43	55.1 Å²	55.1	30%	0.301	33%	0.329	S	S	.	.			trans	-87.2	164.4	179.6	63.7	0	0	0	0	112.2	R86 V105	R86-S103 PolarHBondContact NH1-O 3.24Å; R86-S103 PolarHBondContact O-N 3.4Å; R86-S103 PolarHBondContact O-OG 2.89Å; S103-V105 VanDerWaalsContact C-N 3.29Å; S103-V105 PolarHBondContact O-N 3.13Å
104	S	97.6	Very high	97.9	Very high	65 Å²	65	54.4 Å²	54.4	46%	0.455	32%	0.324	S	S	.	.	S	Bend	trans	50.6	50.5	177.1	-56.6	0	0	0	0	111.7	G35 R86 T106	G35-S104 PolarHBondContact O-N 2.85Å; R86-S104 PolarHBondContact NH1-O 3.02Å; S104-T106 PolarHBondContact O-N 2.86Å
105	V	98.1	Very high	98	Very high	19 Å²	19	49.9 Å²	49.9	12%	0.115	29%	0.293	C	S	.	.			trans	-60.9	135.3	-176.5	173.5	0	0	0	0	110.5	V31 S34 G35 L37 L102 S103 D109	V31-V105 HydrophobicContact CG1-CG2 4.45Å; S34-V105 PolarHBondContact N-O 2.87Å; G35-V105 WeakPolarHBondContact O-CG2 3.21Å; G35-V105 PolarHBondContact O-N 3.4Å; L37-V105 HydrophobicContact CB-CG2 3.81Å; L102-V105 HydrophobicContact CD2-CG2 4.48Å; L102-V105 HydrophobicContact CG-CG2 4.32Å; L102-V105 WeakPolarHBondContact O-CG2 3.38Å; S103-V105 VanDerWaalsContact C-N 3.29Å; S103-V105 PolarHBondContact O-N 3.13Å; V105-D109 HydrophobicContact CG1-CB 4.17Å
106	T	97.3	Very high	97.9	Very high	70 Å²	70	45.7 Å²	45.7	43%	0.429	28%	0.281	S	S	.	.			trans	-120.7	170.2	177.4	68.8	0	0	0	0	110.8	S104 A108 D109	S104-T106 PolarHBondContact O-N 2.86Å; T106-A108 PolarHBondContact O-N 2.78Å; T106-A108 PolarHBondContact OG1-N 3.28Å; T106-D109 PolarHBondContact N-OD2 2.83Å; T106-D109 WeakPolarHBondContact O-CB 3.27Å; T106-D109 PolarHBondContact O-N 3.18Å; T106-D109 PolarHBondContact OG1-OD2 3.48Å
107	A	96.8	Very high	97.6	Very high	89 Å²	89	51.7 Å²	51.7	74%	0.736	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-56.9	-30.4	173.5	0	0	0	0	0	113	D109 T110	A107-D109 PolarHBondContact O-N 3.2Å; A107-T110 VanDerWaalsContact O-CB 3.31Å; A107-T110 WeakPolarHBondContact O-CB 3.42Å; A107-T110 PolarHBondContact O-N 2.83Å; A107-T110 VanDerWaalsContact O-N 3.16Å; A107-T110 PolarHBondContact O-OG1 3.42Å
108	A	96.2	Very high	97.6	Very high	74 Å²	74	51.4 Å²	51.4	61%	0.612	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-67.8	-15.3	177.7	0	0	0	0	0	113.5	T106 T110	T106-A108 PolarHBondContact O-N 2.78Å; T106-A108 PolarHBondContact OG1-N 3.28Å; A108-T110 VanDerWaalsContact C-N 3.32Å
109	D	97.8	Very high	97.6	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.032	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-89.7	2.1	176.8	-56.8	-58.2	0	0	0	112.8	R58 R86 L102 V105 T106 A107 A111 Y113	R58-D109 IonicContact CZ-OD1 2.82Å; R58-D109 IonicContact NH1-OD1 3.36Å; R58-D109 PolarHBondContact NH1-OD1 3.44Å; R86-D109 IonicContact CZ-OD1 2.79Å; R86-D109 IonicContact CZ-OD2 2.72Å; R86-D109 IonicContact NH1-OD1 2.76Å; R86-D109 IonicContact NH1-OD2 2.75Å; R86-D109 PolarHBondContact NH1-OD2 3Å; R86-D109 IonicContact NH2-OD1 3.16Å; R86-D109 PolarHBondContact NH2-OD1 2.82Å; R86-D109 IonicContact NH2-OD2 3.66Å; R86-D109 PolarHBondContact NH2-OD2 2.64Å; L102-D109 HydrophobicContact CD2-CB 3.88Å; V105-D109 HydrophobicContact CG1-CB 4.17Å; T106-D109 PolarHBondContact N-OD2 2.83Å; T106-D109 WeakPolarHBondContact O-CB 3.27Å; T106-D109 PolarHBondContact O-N 3.18Å; T106-D109 PolarHBondContact OG1-OD2 3.48Å; A107-D109 PolarHBondContact O-N 3.2Å; D109-A111 PolarHBondContact O-N 3.41Å; D109-Y113 PolarHBondContact O-OH 2.88Å
110	T	97.8	Very high	97.5	Very high	91 Å²	91	55.7 Å²	55.7	56%	0.558	33%	0.326	S	S	*	.			trans	-67	112.8	173.3	-53.3	0	0	0	0	109.2	P61 A107 A108	P61-T110 WeakPolarHBondContact CD-O 3.21Å; A107-T110 VanDerWaalsContact O-CB 3.31Å; A107-T110 WeakPolarHBondContact O-CB 3.42Å; A107-T110 PolarHBondContact O-N 2.83Å; A107-T110 VanDerWaalsContact O-N 3.16Å; A107-T110 PolarHBondContact O-OG1 3.42Å; A108-T110 VanDerWaalsContact C-N 3.32Å
111	A	98.2	Very high	97.5	Very high	25 Å²	25	58.9 Å²	58.9	21%	0.207	35%	0.345	C	S	.	.	S	Bend	trans	-162.6	164.3	-176.1	0	0	0	0	0	110.5	R58 Q59 P60 D109 Y113	R58-A111 HydrophobicContact CB-CB 3.8Å; R58-A111 HydrophobicContact CG-CB 4.33Å; Q59-A111 WeakPolarHBondContact O-CA 3.48Å; Q59-A111 WeakPolarHBondContact O-CB 3.23Å; P60-A111 HydrophobicContact CB-CB 4.48Å; P60-A111 HydrophobicContact CG-CB 4.32Å; D109-A111 PolarHBondContact O-N 3.41Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 VanDerWaalsContact O-CD2 3.32Å; A111-Y113 WeakPolarHBondContact O-CD2 2.84Å; A111-Y113 WeakPolarHBondContact O-CE2 3.29Å
112	V	98.3	Very high	97.4	Very high	77 Å²	77	55.6 Å²	55.6	47%	0.467	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	135.3	159.3	-170.5	0	0	0	0	108	R58 Q59 Y114	R58-V112 CarbonylContact C-O 3.53Å; R58-V112 WeakPolarHBondContact CA-O 3.5Å; Q59-V112 PolarHBondContact N-O 3.06Å; Q59-V112 PolarHBondContact O-N 2.86Å; V112-Y114 HydrophobicContact CB-CE2 3.89Å; V112-Y114 HydrophobicContact CG1-CD1 4.47Å; V112-Y114 HydrophobicContact CG1-CE1 3.73Å; V112-Y114 HydrophobicContact CG1-CE2 3.78Å; V112-Y114 VanDerWaalsContact CG1-OH 3.31Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.19Å
113	Y	98.7	Very high	97.3	Very high	27 Å²	27	59.1 Å²	59.1	11%	0.106	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.5	-179.4	-71.1	-104	0	0	0	109.4	L37 L39 V57 R58 I68 L100 D109 A111	L37-Y113 HydrophobicContact CD2-CD2 4.34Å; L37-Y113 HydrophobicContact CD2-CE1 4.12Å; L37-Y113 HydrophobicContact CD2-CE2 3.82Å; L39-Y113 HydrophobicContact CD1-CD1 3.62Å; L39-Y113 HydrophobicContact CD1-CD2 4.13Å; L39-Y113 HydrophobicContact CD1-CE1 4.44Å; L39-Y113 HydrophobicContact CD1-CG 3.44Å; L39-Y113 VanDerWaalsContact CD1-CG 3.44Å; V57-Y113 CarbonylContact O-C 3.6Å; V57-Y113 WeakPolarHBondContact O-CA 3.21Å; R58-Y113 HydrophobicContact CB-CD1 3.84Å; R58-Y113 HydrophobicContact CB-CE1 3.83Å; R58-Y113 HydrophobicContact CB-CG 4.22Å; R58-Y113 HydrophobicContact CG-CE1 4.46Å; I68-Y113 HydrophobicContact CD1-CD1 3.66Å; I68-Y113 HydrophobicContact CD1-CE1 3.55Å; L100-Y113 HydrophobicContact CD2-CD1 4Å; L100-Y113 HydrophobicContact CD2-CE1 4.15Å; D109-Y113 PolarHBondContact O-OH 2.88Å; A111-Y113 HydrophobicContact CB-CD2 4.34Å; A111-Y113 HydrophobicContact CB-CE2 3.86Å; A111-Y113 VanDerWaalsContact O-CD2 3.32Å; A111-Y113 WeakPolarHBondContact O-CD2 2.84Å; A111-Y113 WeakPolarHBondContact O-CE2 3.29Å
114	Y	98.6	Very high	97.2	Very high	88 Å²	88	60.2 Å²	60.2	35%	0.345	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	143.9	-175.7	-57.8	-76.7	0	0	0	110.4	V57 Q59 L65 V112	V57-Y114 PolarHBondContact N-O 3.39Å; V57-Y114 PolarHBondContact O-N 2.83Å; Q59-Y114 HydrophobicContact CB-CE2 3.94Å; L65-Y114 HydrophobicContact CD2-CD2 4.27Å; L65-Y114 HydrophobicContact CD2-CE2 4.34Å; V112-Y114 HydrophobicContact CB-CE2 3.89Å; V112-Y114 HydrophobicContact CG1-CD1 4.47Å; V112-Y114 HydrophobicContact CG1-CE1 3.73Å; V112-Y114 HydrophobicContact CG1-CE2 3.78Å; V112-Y114 VanDerWaalsContact CG1-OH 3.31Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.19Å
115	C	98.1	Very high	97.2	Very high	13 Å²	13	59.8 Å²	59.8	9%	0.088	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	147.7	162.2	-56.2	0	0	0	0	110.7	L23 E25 C41 S55 F98	L23-C115 HydrophobicContact CB-CB 3.99Å; L23-C115 HydrophobicContact CD1-CB 3.75Å; L23-C115 HydrophobicContact CG-CB 4.37Å; E25-C115 HydrophobicContact CG-CB 4.44Å; E25-C115 VanDerWaalsContact CG-SG 3.58Å; E25-C115 WeakPolarHBondContact OE1-CB 3.43Å; E25-C115 PolarHBondContact OE1-N 3.12Å; C41-C115 HydrophobicContact CB-CB 4.11Å; C41-C115 WeakPolarHBondContact CB-SG 3.14Å; C41-C115 WeakPolarHBondContact SG-CB 3.32Å; C41-C115 CovalentContact SG-SG 2Å; C41-C115 PolarHBondContact SG-SG 2.89Å; S55-C115 CarbonylContact O-C 3.47Å; S55-C115 WeakPolarHBondContact O-CA 3.42Å; F98-C115 HydrophobicContact CZ-CB 3.86Å
116	A	96.9	Very high	97.1	Very high	35 Å²	35	63.3 Å²	63.3	29%	0.289	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	155.3	169.4	0	0	0	0	0	110.9	S55 V57	S55-A116 PolarHBondContact N-O 3.04Å; S55-A116 PolarHBondContact O-N 2.82Å; V57-A116 HydrophobicContact CG2-CB 4.49Å
117	R	90.9	Very high	97.1	Very high	164 Å²	164	62.6 Å²	62.6	62%	0.619	37%	0.369	S	S	*	.			trans	-121.9	0	168.1	-174.9	-176.8	69.8	163.6	-9.1	108.6	N52 W54	N52-R117 HydrophobicContact CB-CG 4.01Å; W54-R117 HydrophobicContact CD2-CG 4.44Å; W54-R117 HydrophobicContact CE3-CB 3.72Å; W54-R117 HydrophobicContact CE3-CG 3.8Å; W54-R117 HydrophobicContact CH2-CB 4.41Å; W54-R117 HydrophobicContact CH2-CG 3.95Å; W54-R117 HydrophobicContact CZ2-CG 4.5Å; W54-R117 HydrophobicContact CZ3-CB 3.54Å; W54-R117 HydrophobicContact CZ3-CG 3.54Å

Retrieved 117 of 117 residues in 50.8 ms (Link to these results)

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