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Immunoglobulin heavy variable 3-64

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 A0A075B6Q5, Species HUMAN (Homo sapiens, Human), Gene IGHV3-64, Length 118 aa.

						>HV364_HUMAN|A0A075B6Q5|IGHV3-64
MMEFGLSWVFLVAIFKGVQCEVQLVESGEGLVQPGGSLRLSCAASGFTFSSYAMHWVRQAPGKGLEYVSAISSNGGSTYYADSVKGRFTISRDNSKNTLYLQMGSLRAEDMAVYYCAR
					

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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	43.9	Very low	56.3	Low	243 Å²	243	141.6 Å²	141.6	100%	1.197	72%	0.715	S	S	*	*				0	133.3	0	-159.2	179.5	-62	0	0	106.8	E3	M1-E3 PolarHBondContact O-N 3.35Å
2	M	54.3	Low	56.8	Low	174 Å²	174	140.2 Å²	140.2	86%	0.857	72%	0.718	S	S	*	*			trans	-73.4	109.8	-160	-178.7	170.8	71.9	0	0	112.7
3	E	56.9	Low	57.2	Low	142 Å²	142	134.8 Å²	134.8	66%	0.664	71%	0.707	S	S	*	*			trans	-129.1	24.3	175	-77.9	-77.5	152.1	0	0	111.9	M1	M1-E3 PolarHBondContact O-N 3.35Å
4	F	56	Low	57.5	Low	200 Å²	200	134.5 Å²	134.5	88%	0.877	70%	0.704	S	S	*	*	S	Bend	trans	-91.5	-8.2	175.3	-65.3	-72.4	0	0	0	113.4
5	G	55.5	Low	57.6	Low	54 Å²	54	138 Å²	138	56%	0.557	71%	0.712	S	S	*	*	S	Bend	trans	-81.9	-28.9	-178.3	0	0	0	0	0	114.9
6	L	57.6	Low	57.9	Low	97 Å²	97	141.4 Å²	141.4	51%	0.508	72%	0.72	S	S	.	*	H	α-helix	trans	-73.6	-31.3	-177.2	-98.7	93.1	0	0	0	113	W8 V9 F10	L6-W8 VanDerWaalsContact C-N 3.27Å; L6-W8 PolarHBondContact O-N 3.29Å; L6-V9 PolarHBondContact O-N 3.1Å; L6-F10 HydrophobicContact CB-CE2 4.15Å; L6-F10 HydrophobicContact CD2-CE2 3.89Å; L6-F10 HydrophobicContact CD2-CZ 4.36Å; L6-F10 HydrophobicContact CG-CE2 4.48Å; L6-F10 WeakPolarHBondContact O-CD2 3.46Å
7	S	60.6	Low	58.2	Low	81 Å²	81	136.5 Å²	136.5	57%	0.566	71%	0.713	S	S	*	*	H	α-helix	trans	-61.9	-32.5	-172.7	-173.4	0	0	0	0	113.3
8	W	57	Low	58.7	Low	214 Å²	214	136.1 Å²	136.1	81%	0.811	72%	0.717	S	S	*	*	H	α-helix	trans	-76	-30.9	-178.4	-136.1	-6.8	0	0	0	113.3	L6 F10 L11	L6-W8 VanDerWaalsContact C-N 3.27Å; L6-W8 PolarHBondContact O-N 3.29Å; W8-F10 VanDerWaalsContact C-N 3.33Å; W8-F10 PolarHBondContact O-N 2.77Å; W8-L11 PolarHBondContact O-N 3.08Å
9	V	61	Low	58.7	Low	109 Å²	109	137.6 Å²	137.6	66%	0.661	72%	0.72	S	S	*	*	H	α-helix	trans	-69.4	-33.3	178.9	-166	0	0	0	0	111	L6 L11	L6-V9 PolarHBondContact O-N 3.1Å; V9-L11 PolarHBondContact O-N 3.25Å
10	F	58.4	Low	59.2	Low	135 Å²	135	136.6 Å²	136.6	59%	0.592	72%	0.724	S	S	*	*	H	α-helix	trans	-68.5	-30.9	177	-73.2	-72.2	0	0	0	113.6	L6 W8 A13	L6-F10 HydrophobicContact CB-CE2 4.15Å; L6-F10 HydrophobicContact CD2-CE2 3.89Å; L6-F10 HydrophobicContact CD2-CZ 4.36Å; L6-F10 HydrophobicContact CG-CE2 4.48Å; L6-F10 WeakPolarHBondContact O-CD2 3.46Å; W8-F10 VanDerWaalsContact C-N 3.33Å; W8-F10 PolarHBondContact O-N 2.77Å; F10-A13 PolarHBondContact O-N 3.01Å
11	L	58.2	Low	60.6	Low	109 Å²	109	136.7 Å²	136.7	57%	0.571	72%	0.72	S	S	*	*	H	α-helix	trans	-71.3	-29.3	-178.5	-93	156.6	0	0	0	113.6	W8 V9 A13	W8-L11 PolarHBondContact O-N 3.08Å; V9-L11 PolarHBondContact O-N 3.25Å; L11-A13 VanDerWaalsContact C-N 3.35Å
12	V	62	Low	62.8	Low	124 Å²	124	128.6 Å²	128.6	75%	0.752	68%	0.684	S	S	*	*	H	α-helix	trans	-77.4	-21.8	180	-174.3	0	0	0	0	112
13	A	62.1	Low	64.8	Low	70 Å²	70	125.6 Å²	125.6	58%	0.579	67%	0.668	S	S	*	*	S	Bend	trans	-83.5	-14.1	-171.5	0	0	0	0	0	115.7	F10 L11	F10-A13 PolarHBondContact O-N 3.01Å; L11-A13 VanDerWaalsContact C-N 3.35Å
14	I	61.8	Low	66.7	Low	131 Å²	131	121 Å²	121	67%	0.672	65%	0.648	S	S	*	*	S	Bend	trans	-88.8	-14.5	-166.1	-57.8	172.9	0	0	0	113.7	K16	I14-K16 VanDerWaalsContact C-N 3.3Å; I14-K16 PolarHBondContact O-N 3.25Å
15	F	58.9	Low	68.7	Low	187 Å²	187	114.5 Å²	114.5	82%	0.82	62%	0.624	S	S	*	*			trans	-90	35.9	-179.9	-66.8	-70.6	0	0	0	114.8	G17	F15-G17 PolarHBondContact O-N 2.85Å
16	K	61.5	Low	70.7	Confident	192 Å²	192	115.3 Å²	115.3	84%	0.835	61%	0.614	S	S	*	*			trans	-81.7	65.6	158.4	-64.2	-153.9	-177.5	-171.2	0	109.1	I14 V18	I14-K16 VanDerWaalsContact C-N 3.3Å; I14-K16 PolarHBondContact O-N 3.25Å; K16-V18 PolarHBondContact O-N 2.86Å
17	G	63.9	Low	72.6	Confident	59 Å²	59	113.8 Å²	113.8	61%	0.608	61%	0.611	S	S	*	*			trans	-58	119.5	169.8	0	0	0	0	0	108.8	F15 Q19	F15-G17 PolarHBondContact O-N 2.85Å; G17-Q19 PolarHBondContact O-N 3.48Å
18	V	66.7	Low	74.1	Confident	129 Å²	129	111.9 Å²	111.9	78%	0.782	60%	0.604	S	S	*	*			trans	-66.5	106.9	170.2	173.9	0	0	0	0	106.8	K16 C20	K16-V18 PolarHBondContact O-N 2.86Å; V18-C20 VanDerWaalsContact CG1-SG 3.59Å; V18-C20 PolarHBondContact O-N 2.96Å; V18-C20 VanDerWaalsContact O-N 3.13Å
19	Q	59.4	Low	75.2	Confident	164 Å²	164	108.6 Å²	108.6	77%	0.766	60%	0.598	S	S	*	*			trans	-80.1	90.7	172.3	-61.9	-106	-61.3	0	0	106.9	G17 E21	G17-Q19 PolarHBondContact O-N 3.48Å; Q19-E21 PolarHBondContact O-N 3.12Å
20	C	69	Low	76.2	Confident	118 Å²	118	106.2 Å²	106.2	80%	0.797	60%	0.595	S	S	*	*			trans	-77.8	48.4	169.8	-81.7	0	0	0	0	110.8	V18	V18-C20 VanDerWaalsContact CG1-SG 3.59Å; V18-C20 PolarHBondContact O-N 2.96Å; V18-C20 VanDerWaalsContact O-N 3.13Å
21	E	87.5	Confident	77.3	Confident	139 Å²	139	108.2 Å²	108.2	65%	0.65	61%	0.611	S	S	*	*			trans	-93.4	145.4	177.8	-165.8	167.5	-170	0	0	110.4	Q19 Q23	Q19-E21 PolarHBondContact O-N 3.12Å; E21-Q23 PolarHBondContact O-N 2.79Å
22	V	91.6	Very high	78.8	Confident	72 Å²	72	105.8 Å²	105.8	44%	0.436	60%	0.601	S	S	.	*			trans	-66.1	126.8	171.5	168.9	0	0	0	0	108.4	F47	V22-F47 HydrophobicContact CG1-CD1 3.76Å; V22-F47 HydrophobicContact CG1-CE1 3.98Å; V22-F47 HydrophobicContact CG2-CB 4.47Å; V22-F47 HydrophobicContact CG2-CD1 4.3Å
23	Q	95.4	Very high	80.1	Confident	111 Å²	111	107.7 Å²	107.7	52%	0.519	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.4	137.4	178.5	-154.4	-176.5	11.5	0	0	110.8	E21 V25 A44 S45	E21-Q23 PolarHBondContact O-N 2.79Å; Q23-V25 HydrophobicContact CG-CG2 3.71Å; Q23-A44 WeakPolarHBondContact O-CA 3.36Å; Q23-S45 VanDerWaalsContact CB-OG 3.31Å; Q23-S45 WeakPolarHBondContact CB-OG 3.4Å; Q23-S45 PolarHBondContact N-O 3.26Å; Q23-S45 PolarHBondContact O-N 3.3Å
24	L	97.8	Very high	81.4	Confident	46 Å²	46	109.2 Å²	109.2	24%	0.241	61%	0.605	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	123.5	168.7	-66.2	-178.5	0	0	0	106.4	A43 A44 F47 M54 C116	L24-A43 WeakPolarHBondContact CA-O 3.45Å; L24-A44 HydrophobicContact CD2-CB 3.67Å; L24-F47 HydrophobicContact CD2-CE1 3.98Å; L24-F47 HydrophobicContact CD2-CZ 4.13Å; L24-M54 HydrophobicContact CD2-CE 4.02Å; L24-C116 WeakPolarHBondContact CD1-O 3.21Å
25	V	97.6	Very high	82.8	Confident	64 Å²	64	105.8 Å²	105.8	39%	0.388	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.1	103.1	-175.6	-175.2	0	0	0	0	109.5	Q23 C42 A43	Q23-V25 HydrophobicContact CG-CG2 3.71Å; V25-C42 VanDerWaalsContact O-CA 3.32Å; V25-C42 WeakPolarHBondContact O-CA 3.36Å; V25-A43 PolarHBondContact N-O 3.29Å; V25-A43 PolarHBondContact O-N 3.25Å
26	E	97.7	Very high	84.5	Confident	71 Å²	71	98 Å²	98	33%	0.332	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.7	142	177	-60	84.8	172	0	0	112.3	S41 C42 W56 Y115 C116	E26-S41 CarbonylContact C-O 3.5Å; E26-S41 WeakPolarHBondContact CA-O 3.23Å; E26-C42 HydrophobicContact CG-CB 4.4Å; E26-W56 HydrophobicContact CG-CH2 4.11Å; E26-W56 HydrophobicContact CG-CZ3 3.9Å; E26-Y115 WeakPolarHBondContact OE1-CA 3.39Å; E26-C116 PolarHBondContact OE1-N 2.92Å; E26-C116 PolarHBondContact OE1-SG 3.16Å
27	S	96.9	Very high	86.1	Confident	64 Å²	64	92.3 Å²	92.3	45%	0.448	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.6	156.6	175.4	56.3	0	0	0	0	110.8	L40 S41	S27-L40 CarbonylContact O-C 3.6Å; S27-L40 WeakPolarHBondContact O-CA 3Å; S27-S41 PolarHBondContact N-O 3.39Å; S27-S41 PolarHBondContact O-N 2.8Å; S27-S41 PolarHBondContact OG-OG 3.07Å
28	G	92.9	Very high	87.6	Confident	41 Å²	41	90.4 Å²	90.4	42%	0.423	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	165	178.7	0	0	0	0	0	111.6	G30	G28-G30 PolarHBondContact O-N 3.29Å
29	E	79.6	Confident	89	Confident	146 Å²	146	89.9 Å²	89.9	68%	0.682	52%	0.519	S	S	*	.			trans	-73.6	70.3	177.6	-51	-179.8	132.6	0	0	111.7	L38	E29-L38 HydrophobicContact CB-CD1 3.47Å; E29-L38 VanDerWaalsContact CB-CD1 3.47Å; E29-L38 HydrophobicContact CG-CD1 4.29Å; E29-L38 WeakPolarHBondContact O-CD1 3.29Å
30	G	81.4	Confident	90.9	Very high	59 Å²	59	83 Å²	83	61%	0.608	49%	0.487	S	S	*	.			trans	42.4	-142.1	164.1	0	0	0	0	0	117.1	G28	G28-G30 PolarHBondContact O-N 3.29Å
31	L	82.6	Confident	92.3	Very high	177 Å²	177	78.8 Å²	78.8	93%	0.927	46%	0.459	S	S	*	.			trans	-88.4	128.5	-179.7	-68.5	166.3	0	0	0	110.3
32	V	88.3	Confident	92.8	Very high	58 Å²	58	72.1 Å²	72.1	35%	0.352	43%	0.428	S	S	.	.			trans	-119.1	145.7	175.7	-177.3	0	0	0	0	109.4	L38 L106	V32-L38 HydrophobicContact CG2-CB 4.05Å; V32-L38 HydrophobicContact CG2-CD1 3.91Å; V32-L38 HydrophobicContact CG2-CD2 4.38Å; V32-L38 HydrophobicContact CG2-CG 4.34Å; V32-L106 HydrophobicContact CB-CD1 3.94Å; V32-L106 HydrophobicContact CG1-CD1 3.99Å
33	Q	88.6	Confident	93.1	Very high	163 Å²	163	71 Å²	71	76%	0.762	43%	0.426	S	S	*	.			trans	-69	151.3	176.6	-65.4	-176.3	9	0	0	111.6	G36	Q33-G36 PolarHBondContact O-N 2.93Å; Q33-G36 VanDerWaalsContact O-N 3.08Å
34	P	89.7	Confident	93.3	Very high	102 Å²	102	66 Å²	66	66%	0.662	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	145.4	169.9	-25.8	34.8	0	0	0	112.3	G36 L106	P34-G36 PolarHBondContact O-N 2.94Å; P34-L106 CarbonylContact C-O 3.57Å; P34-L106 WeakPolarHBondContact CA-O 3.4Å
35	G	92.8	Very high	93.2	Very high	60 Å²	60	66.2 Å²	66.2	62%	0.619	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-17.6	-173	0	0	0	0	0	114.1	L106	G35-L106 PolarHBondContact N-O 2.68Å
36	G	94	Very high	93	Very high	24 Å²	24	65.7 Å²	65.7	25%	0.247	42%	0.417	C	S	.	.			trans	-73.5	-174.4	177.4	0	0	0	0	0	114.3	Q33 P34 S105 L106	Q33-G36 PolarHBondContact O-N 2.93Å; Q33-G36 VanDerWaalsContact O-N 3.08Å; P34-G36 PolarHBondContact O-N 2.94Å; G36-S105 PolarHBondContact O-N 2.92Å; G36-L106 PolarHBondContact O-N 3.06Å; G36-L106 VanDerWaalsContact O-N 3.1Å
37	S	94.9	Very high	92.9	Very high	72 Å²	72	63.8 Å²	63.8	50%	0.503	41%	0.408	S	S	.	.			trans	-129.4	147.4	174.5	59.1	0	0	0	0	110.7	M103	S37-M103 CarbonylContact C-O 3.58Å; S37-M103 WeakPolarHBondContact CA-O 3.12Å; S37-M103 VanDerWaalsContact CB-O 3.29Å; S37-M103 WeakPolarHBondContact CB-O 3.43Å
38	L	95.3	Very high	92.8	Very high	18 Å²	18	64.9 Å²	64.9	9%	0.094	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.8	178.8	177.9	60.7	0	0	0	109.4	E29 V32 L40 Q102 M103 L106	E29-L38 HydrophobicContact CB-CD1 3.47Å; E29-L38 VanDerWaalsContact CB-CD1 3.47Å; E29-L38 HydrophobicContact CG-CD1 4.29Å; E29-L38 WeakPolarHBondContact O-CD1 3.29Å; V32-L38 HydrophobicContact CG2-CB 4.05Å; V32-L38 HydrophobicContact CG2-CD1 3.91Å; V32-L38 HydrophobicContact CG2-CD2 4.38Å; V32-L38 HydrophobicContact CG2-CG 4.34Å; L38-L40 HydrophobicContact CD2-CD2 3.76Å; L38-L40 HydrophobicContact CG-CD2 4.07Å; L38-Q102 PolarHBondContact O-NE2 3.44Å; L38-M103 PolarHBondContact N-O 3.41Å; L38-M103 WeakPolarHBondContact O-CB 3.17Å; L38-M103 PolarHBondContact O-N 2.8Å; L38-L106 HydrophobicContact CB-CD1 4.01Å
39	R	96.8	Very high	93.1	Very high	119 Å²	119	63 Å²	63	45%	0.449	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.9	168.6	-174	177.4	177.1	178	0.9	110.3	Y100 L101	R39-Y100 VanDerWaalsContact NH2-CG 3.28Å; R39-L101 WeakPolarHBondContact CA-O 3.24Å
40	L	98	Very high	93.9	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.094	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	152.5	167.6	-52.4	-176.9	0	0	0	110.1	S27 L38 W56 Y100 L101 M103 Y114	S27-L40 CarbonylContact O-C 3.6Å; S27-L40 WeakPolarHBondContact O-CA 3Å; L38-L40 HydrophobicContact CD2-CD2 3.76Å; L38-L40 HydrophobicContact CG-CD2 4.07Å; L40-W56 HydrophobicContact CB-CH2 3.92Å; L40-W56 HydrophobicContact CB-CZ2 4.15Å; L40-W56 HydrophobicContact CB-CZ3 4.49Å; L40-W56 HydrophobicContact CD1-CZ3 4.33Å; L40-Y100 VanDerWaalsContact O-CA 3.32Å; L40-Y100 WeakPolarHBondContact O-CA 3.28Å; L40-L101 HydrophobicContact CB-CB 4.24Å; L40-L101 HydrophobicContact CD1-CD2 4.37Å; L40-L101 PolarHBondContact N-O 3.04Å; L40-L101 PolarHBondContact O-N 3.32Å; L40-M103 HydrophobicContact CD1-SD 3.85Å; L40-M103 HydrophobicContact CG-SD 3.96Å; L40-Y114 HydrophobicContact CD1-CD1 4.01Å; L40-Y114 HydrophobicContact CD1-CD2 3.99Å; L40-Y114 HydrophobicContact CD1-CG 3.56Å
41	S	98.5	Very high	94.7	Very high	30 Å²	30	59.5 Å²	59.5	21%	0.21	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152	170.7	76.9	0	0	0	0	111.2	E26 S27 L99	E26-S41 CarbonylContact C-O 3.5Å; E26-S41 WeakPolarHBondContact CA-O 3.23Å; S27-S41 PolarHBondContact N-O 3.39Å; S27-S41 PolarHBondContact O-N 2.8Å; S27-S41 PolarHBondContact OG-OG 3.07Å; S41-L99 CarbonylContact C-O 3.45Å; S41-L99 VanDerWaalsContact CA-O 3.24Å; S41-L99 WeakPolarHBondContact CA-O 3.5Å
42	C	98.6	Very high	95.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.2	175.8	157.5	0	0	0	0	109	V25 E26 W56 T98 L99 C116	V25-C42 VanDerWaalsContact O-CA 3.32Å; V25-C42 WeakPolarHBondContact O-CA 3.36Å; E26-C42 HydrophobicContact CG-CB 4.4Å; C42-W56 HydrophobicContact CB-CH2 3.75Å; C42-W56 HydrophobicContact CB-CZ2 3.82Å; C42-T98 CarbonylContact O-C 3.56Å; C42-T98 WeakPolarHBondContact O-CA 3.29Å; C42-L99 HydrophobicContact CB-CB 4.18Å; C42-L99 PolarHBondContact N-O 2.8Å; C42-L99 PolarHBondContact O-N 3.44Å; C42-C116 HydrophobicContact CB-CB 3.43Å; C42-C116 VanDerWaalsContact CB-CB 3.43Å; C42-C116 WeakPolarHBondContact CB-SG 3.35Å; C42-C116 WeakPolarHBondContact SG-CB 3.47Å; C42-C116 CovalentContact SG-SG 2Å; C42-C116 PolarHBondContact SG-SG 3.04Å
43	A	98.2	Very high	95.9	Very high	47 Å²	47	54.5 Å²	54.5	39%	0.388	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.9	175.1	0	0	0	0	0	109.7	L24 V25	L24-A43 WeakPolarHBondContact CA-O 3.45Å; V25-A43 PolarHBondContact N-O 3.29Å; V25-A43 PolarHBondContact O-N 3.25Å
44	A	98	Very high	96.4	Very high	7 Å²	7	46.7 Å²	46.7	6%	0.058	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137	-177.3	0	0	0	0	0	111.9	Q23 L24 F47 F49 N97	Q23-A44 WeakPolarHBondContact O-CA 3.36Å; L24-A44 HydrophobicContact CD2-CB 3.67Å; A44-F47 HydrophobicContact CB-CE1 3.83Å; A44-F47 HydrophobicContact CB-CZ 3.75Å; A44-F49 HydrophobicContact CB-CD2 3.51Å; A44-F49 HydrophobicContact CB-CE2 4.02Å; A44-F49 HydrophobicContact CB-CG 4.4Å; A44-N97 PolarHBondContact N-O 3.26Å; A44-N97 VanDerWaalsContact O-CB 3.27Å; A44-N97 WeakPolarHBondContact O-CB 3.39Å
45	S	96.1	Very high	96.8	Very high	50 Å²	50	44.5 Å²	44.5	35%	0.35	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	167.9	175.9	71.8	0	0	0	0	111.3	Q23 F47	Q23-S45 VanDerWaalsContact CB-OG 3.31Å; Q23-S45 WeakPolarHBondContact CB-OG 3.4Å; Q23-S45 PolarHBondContact N-O 3.26Å; Q23-S45 PolarHBondContact O-N 3.3Å; S45-F47 VanDerWaalsContact C-N 3.29Å; S45-F47 WeakPolarHBondContact O-CD1 3.21Å; S45-F47 PolarHBondContact O-N 3.11Å
46	G	94.6	Very high	97.1	Very high	54 Å²	54	41.7 Å²	41.7	56%	0.557	26%	0.261	S	S	*	.	S	Bend	trans	79.7	3.8	-178	0	0	0	0	0	115.1
47	F	94.6	Very high	97.3	Very high	31 Å²	31	42 Å²	42	14%	0.136	26%	0.257	C	S	.	.	S	Bend	trans	-154.7	166.1	172.3	68	-78.9	0	0	0	111.9	V22 L24 A44 S45 F49 Y52 M54 R118	V22-F47 HydrophobicContact CG1-CD1 3.76Å; V22-F47 HydrophobicContact CG1-CE1 3.98Å; V22-F47 HydrophobicContact CG2-CB 4.47Å; V22-F47 HydrophobicContact CG2-CD1 4.3Å; L24-F47 HydrophobicContact CD2-CE1 3.98Å; L24-F47 HydrophobicContact CD2-CZ 4.13Å; A44-F47 HydrophobicContact CB-CE1 3.83Å; A44-F47 HydrophobicContact CB-CZ 3.75Å; S45-F47 VanDerWaalsContact C-N 3.29Å; S45-F47 WeakPolarHBondContact O-CD1 3.21Å; S45-F47 PolarHBondContact O-N 3.11Å; F47-F49 HydrophobicContact CE2-CB 4.35Å; F47-F49 HydrophobicContact CE2-CD2 4.34Å; F47-F49 HydrophobicContact CZ-CD2 4.23Å; F47-F49 PolarHBondContact O-N 3.31Å; F47-Y52 AromaticContact CD2-CD2 3.62Å; F47-Y52 HydrophobicContact CD2-CD2 3.62Å; F47-Y52 AromaticContact CD2-CE2 3.91Å; F47-Y52 HydrophobicContact CD2-CE2 3.91Å; F47-Y52 HydrophobicContact CD2-CG 4.48Å; F47-Y52 HydrophobicContact CE2-CD2 4.01Å; F47-M54 HydrophobicContact CE2-SD 4.28Å; F47-M54 HydrophobicContact CZ-CE 4.39Å; F47-M54 HydrophobicContact CZ-SD 4.18Å; F47-R118 VanDerWaalsContact CB-NH1 3.32Å; F47-R118 HydrophobicContact CD2-CG 4.44Å; F47-R118 HydrophobicContact CE2-CB 4.46Å; F47-R118 HydrophobicContact CE2-CG 3.82Å; F47-R118 HydrophobicContact CZ-CB 4.32Å; F47-R118 HydrophobicContact CZ-CG 4.18Å
48	T	96.1	Very high	97.4	Very high	86 Å²	86	39.1 Å²	39.1	53%	0.528	24%	0.236	S	C	.	.			trans	-73.9	92.5	173.5	-51.6	0	0	0	0	110.2	S50 S51 Y52	T48-S50 WeakPolarHBondContact CG2-OG 3.37Å; T48-S50 PolarHBondContact O-N 2.96Å; T48-S50 VanDerWaalsContact O-N 3.16Å; T48-S51 WeakPolarHBondContact CB-OG 3.47Å; T48-S51 WeakPolarHBondContact CG2-OG 3.46Å; T48-S51 WeakPolarHBondContact O-CB 3.38Å; T48-S51 PolarHBondContact O-N 3.33Å; T48-Y52 WeakPolarHBondContact O-CD2 3.32Å
49	F	97.3	Very high	97.5	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-51.3	-39.8	-177	178.2	-103.3	0	0	0	113.9	A44 F47 S51 Y52 M54 R92 N94 N97 L99	A44-F49 HydrophobicContact CB-CD2 3.51Å; A44-F49 HydrophobicContact CB-CE2 4.02Å; A44-F49 HydrophobicContact CB-CG 4.4Å; F47-F49 HydrophobicContact CE2-CB 4.35Å; F47-F49 HydrophobicContact CE2-CD2 4.34Å; F47-F49 HydrophobicContact CZ-CD2 4.23Å; F47-F49 PolarHBondContact O-N 3.31Å; F49-S51 PolarHBondContact O-N 3.37Å; F49-Y52 PolarHBondContact O-N 3.25Å; F49-M54 HydrophobicContact CD2-CE 4.49Å; F49-M54 HydrophobicContact CD2-CG 4.18Å; F49-M54 HydrophobicContact CD2-SD 4.08Å; F49-M54 HydrophobicContact CE2-CE 4.08Å; F49-M54 HydrophobicContact CE2-CG 3.57Å; F49-M54 HydrophobicContact CE2-SD 3.92Å; F49-M54 HydrophobicContact CZ-CG 4.03Å; F49-R92 HydrophobicContact CE1-CB 4.26Å; F49-R92 VanDerWaalsContact CE1-NH2 3.31Å; F49-R92 HydrophobicContact CZ-CB 4.25Å; F49-R92 PolarHBondContact O-NH2 3.37Å; F49-N94 VanDerWaalsContact CD1-OD1 3.28Å; F49-N94 WeakPolarHBondContact CD1-OD1 3.32Å; F49-N94 VanDerWaalsContact CE1-OD1 3.24Å; F49-N94 WeakPolarHBondContact CE1-OD1 3.33Å; F49-N97 HydrophobicContact CB-CB 3.89Å; F49-N97 WeakPolarHBondContact CB-OD1 3.35Å; F49-N97 HydrophobicContact CD1-CB 4.4Å; F49-N97 HydrophobicContact CG-CB 4.08Å; F49-L99 HydrophobicContact CE2-CB 4.47Å; F49-L99 HydrophobicContact CZ-CB 4.31Å
50	S	97.6	Very high	97.5	Very high	55 Å²	55	37.2 Å²	37.2	39%	0.385	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-69.1	-12	178.6	58	0	0	0	0	114.4	T48 S73	T48-S50 WeakPolarHBondContact CG2-OG 3.37Å; T48-S50 PolarHBondContact O-N 2.96Å; T48-S50 VanDerWaalsContact O-N 3.16Å; S50-S73 VanDerWaalsContact O-CB 3.28Å; S50-S73 WeakPolarHBondContact O-CB 3.33Å
51	S	97.5	Very high	97.4	Very high	77 Å²	77	41.5 Å²	41.5	54%	0.538	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-85.6	-7	177.6	-61.4	0	0	0	0	113.6	T48 F49	T48-S51 WeakPolarHBondContact CB-OG 3.47Å; T48-S51 WeakPolarHBondContact CG2-OG 3.46Å; T48-S51 WeakPolarHBondContact O-CB 3.38Å; T48-S51 PolarHBondContact O-N 3.33Å; F49-S51 PolarHBondContact O-N 3.37Å
52	Y	97.9	Very high	97.3	Very high	93 Å²	93	44.3 Å²	44.3	37%	0.365	30%	0.297	S	S	.	.	S	Bend	trans	-127.9	146.3	-172.9	-63.4	-92.9	0	0	0	112.7	F47 T48 F49 S73 R92 R118	F47-Y52 AromaticContact CD2-CD2 3.62Å; F47-Y52 HydrophobicContact CD2-CD2 3.62Å; F47-Y52 AromaticContact CD2-CE2 3.91Å; F47-Y52 HydrophobicContact CD2-CE2 3.91Å; F47-Y52 HydrophobicContact CD2-CG 4.48Å; F47-Y52 HydrophobicContact CE2-CD2 4.01Å; T48-Y52 WeakPolarHBondContact O-CD2 3.32Å; F49-Y52 PolarHBondContact O-N 3.25Å; Y52-S73 WeakPolarHBondContact O-CA 3.48Å; Y52-R92 PolarHBondContact O-NH1 3.21Å; Y52-R92 PolarHBondContact O-NH2 3.03Å; Y52-R118 HydrophobicContact CD1-CG 3.64Å; Y52-R118 HydrophobicContact CD2-CG 4.16Å; Y52-R118 HydrophobicContact CE1-CG 4.47Å; Y52-R118 HydrophobicContact CG-CG 3.46Å; Y52-R118 VanDerWaalsContact CG-CG 3.46Å
53	A	98.4	Very high	97.1	Very high	37 Å²	37	50.5 Å²	50.5	31%	0.306	32%	0.324	S	S	.	.			trans	-66	153.8	160	0	0	0	0	0	108.8	I71	A53-I71 VanDerWaalsContact CA-O 3.29Å; A53-I71 WeakPolarHBondContact CA-O 3.33Å
54	M	98.6	Very high	97	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.9	-179.2	-63.5	-61.7	-56.5	0	0	109.6	L24 F47 F49 A70 I71 L99 A117 R118	L24-M54 HydrophobicContact CD2-CE 4.02Å; F47-M54 HydrophobicContact CE2-SD 4.28Å; F47-M54 HydrophobicContact CZ-CE 4.39Å; F47-M54 HydrophobicContact CZ-SD 4.18Å; F49-M54 HydrophobicContact CD2-CE 4.49Å; F49-M54 HydrophobicContact CD2-CG 4.18Å; F49-M54 HydrophobicContact CD2-SD 4.08Å; F49-M54 HydrophobicContact CE2-CE 4.08Å; F49-M54 HydrophobicContact CE2-CG 3.57Å; F49-M54 HydrophobicContact CE2-SD 3.92Å; F49-M54 HydrophobicContact CZ-CG 4.03Å; M54-A70 CarbonylContact O-C 3.55Å; M54-A70 VanDerWaalsContact O-CA 3.28Å; M54-A70 WeakPolarHBondContact O-CA 3.38Å; M54-I71 HydrophobicContact CB-CG2 4.28Å; M54-I71 PolarHBondContact N-O 2.96Å; M54-I71 PolarHBondContact O-N 2.94Å; M54-L99 HydrophobicContact CB-CD1 3.66Å; M54-L99 HydrophobicContact CB-CD2 3.85Å; M54-L99 HydrophobicContact CB-CG 4.3Å; M54-L99 HydrophobicContact CG-CD1 4.46Å; M54-A117 CarbonylContact C-O 3.58Å; M54-A117 WeakPolarHBondContact CA-O 3.24Å; M54-A117 WeakPolarHBondContact CE-O 3.33Å; M54-R118 HydrophobicContact CE-CB 4.18Å; M54-R118 HydrophobicContact SD-CB 3.88Å; M54-R118 HydrophobicContact SD-CG 3.91Å
55	H	98.7	Very high	97	Very high	56 Å²	56	55.9 Å²	55.9	26%	0.259	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.8	-169.2	-58	-101.9	0	0	0	110.3	Y67 S69 A70 C116 A117	H55-Y67 AromaticContact ND1-CE2 3.88Å; H55-S69 CarbonylContact C-O 3.55Å; H55-S69 WeakPolarHBondContact CA-O 3.11Å; H55-A70 VanDerWaalsContact ND1-CB 3.31Å; H55-A70 WeakPolarHBondContact ND1-CB 3.45Å; H55-C116 CarbonylContact O-C 3.53Å; H55-C116 VanDerWaalsContact O-CA 3.25Å; H55-C116 WeakPolarHBondContact O-CA 3.49Å; H55-A117 HydrophobicContact CB-CB 4.35Å; H55-A117 PolarHBondContact N-O 3.13Å; H55-A117 PolarHBondContact O-N 2.8Å
56	W	98.8	Very high	97.1	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	134.3	160.5	-76.9	100.8	0	0	0	109.4	E26 L40 C42 V68 S69 L99 L101 Y115 C116	E26-W56 HydrophobicContact CG-CH2 4.11Å; E26-W56 HydrophobicContact CG-CZ3 3.9Å; L40-W56 HydrophobicContact CB-CH2 3.92Å; L40-W56 HydrophobicContact CB-CZ2 4.15Å; L40-W56 HydrophobicContact CB-CZ3 4.49Å; L40-W56 HydrophobicContact CD1-CZ3 4.33Å; C42-W56 HydrophobicContact CB-CH2 3.75Å; C42-W56 HydrophobicContact CB-CZ2 3.82Å; W56-V68 HydrophobicContact CB-CB 4.03Å; W56-V68 HydrophobicContact CB-CG1 4.4Å; W56-V68 WeakPolarHBondContact O-CB 3.23Å; W56-V68 PolarHBondContact O-N 3.44Å; W56-S69 PolarHBondContact N-O 2.8Å; W56-S69 PolarHBondContact O-N 2.79Å; W56-L99 HydrophobicContact CD2-CD2 4.38Å; W56-L99 HydrophobicContact CG-CD2 4.34Å; W56-L99 HydrophobicContact CZ2-CD2 4.35Å; W56-L99 VanDerWaalsContact NE1-CD2 3.28Å; W56-L101 HydrophobicContact CB-CD2 4.25Å; W56-L101 HydrophobicContact CD2-CB 4.18Å; W56-L101 HydrophobicContact CD2-CD2 4.24Å; W56-L101 HydrophobicContact CG-CB 4.21Å; W56-L101 HydrophobicContact CG-CD2 4Å; W56-L101 HydrophobicContact CG-CG 4.49Å; W56-L101 HydrophobicContact CZ2-CB 4.29Å; W56-Y115 WeakPolarHBondContact CA-O 3.33Å; W56-C116 HydrophobicContact CD2-CB 4.43Å; W56-C116 HydrophobicContact CE3-CB 4.26Å; W56-C116 HydrophobicContact CH2-CB 4.27Å; W56-C116 HydrophobicContact CZ2-CB 4.43Å; W56-C116 HydrophobicContact CZ3-CB 4.18Å
57	V	98.6	Very high	97.3	Very high	29 Å²	29	59.3 Å²	59.3	18%	0.176	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.1	175.5	-168.2	0	0	0	0	106.8	L65 E66 Y114 Y115 A117	V57-L65 HydrophobicContact CG1-CB 3.84Å; V57-L65 HydrophobicContact CG1-CD2 4.05Å; V57-L65 HydrophobicContact CG1-CG 4.37Å; V57-E66 CarbonylContact C-O 3.47Å; V57-E66 WeakPolarHBondContact CA-O 3.37Å; V57-E66 VanDerWaalsContact CG1-O 3.27Å; V57-E66 WeakPolarHBondContact CG1-O 3.5Å; V57-Y114 WeakPolarHBondContact O-CA 3.41Å; V57-Y115 PolarHBondContact N-O 3.25Å; V57-Y115 PolarHBondContact O-N 3.02Å; V57-Y115 VanDerWaalsContact O-O 3.13Å; V57-A117 HydrophobicContact CG2-CB 4.5Å
58	R	97.6	Very high	97.5	Very high	13 Å²	13	57.8 Å²	57.8	5%	0.049	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	156.3	176.9	72.6	-179.2	-172.8	175.8	11	111.8	L65 E66 V68 E109 D110 A112 V113 Y114	R58-L65 CarbonylContact O-C 3.59Å; R58-L65 WeakPolarHBondContact O-CA 3.34Å; R58-E66 HydrophobicContact CG-CB 3.97Å; R58-E66 IonicContact CZ-OE2 3.07Å; R58-E66 PolarHBondContact N-O 3.01Å; R58-E66 IonicContact NE-OE2 3.47Å; R58-E66 PolarHBondContact NE-OE2 3.01Å; R58-E66 IonicContact NH2-OE2 3.44Å; R58-E66 PolarHBondContact NH2-OE2 3Å; R58-E66 PolarHBondContact O-N 2.76Å; R58-V68 HydrophobicContact CB-CG2 3.76Å; R58-V68 HydrophobicContact CG-CG2 3.61Å; R58-E109 PolarHBondContact NH1-O 3.5Å; R58-E109 PolarHBondContact NH2-O 3.23Å; R58-D110 IonicContact NH1-OD1 3Å; R58-D110 PolarHBondContact NH1-OD1 3.42Å; R58-A112 HydrophobicContact CB-CB 3.87Å; R58-A112 HydrophobicContact CG-CB 4.19Å; R58-V113 CarbonylContact C-O 3.55Å; R58-V113 WeakPolarHBondContact CA-O 3.19Å; R58-Y114 HydrophobicContact CB-CD1 3.78Å; R58-Y114 HydrophobicContact CB-CD2 4.44Å; R58-Y114 HydrophobicContact CB-CE1 3.69Å; R58-Y114 HydrophobicContact CB-CE2 4.35Å; R58-Y114 HydrophobicContact CB-CG 4.15Å; R58-Y114 HydrophobicContact CG-CE1 4.39Å
59	Q	97.7	Very high	97.6	Very high	75 Å²	75	53.7 Å²	53.7	35%	0.35	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	110.7	173.9	-169	171.8	24.4	0	0	110.2	K63 L65 A112 V113 Y115	Q59-K63 WeakPolarHBondContact CG-O 3.46Å; Q59-K63 PolarHBondContact NE2-O 2.99Å; Q59-L65 HydrophobicContact CB-CD2 3.98Å; Q59-L65 HydrophobicContact CG-CD2 4.44Å; Q59-A112 WeakPolarHBondContact O-CA 3.31Å; Q59-A112 WeakPolarHBondContact O-CB 3.13Å; Q59-V113 PolarHBondContact N-O 3.04Å; Q59-V113 PolarHBondContact O-N 3.43Å; Q59-Y115 HydrophobicContact CB-CE2 4.12Å
60	A	96	Very high	97.7	Very high	21 Å²	21	53.9 Å²	53.9	17%	0.174	32%	0.319	C	S	.	.			trans	-75	152.1	171.1	0	0	0	0	0	110.5	G62 K63 A112	A60-G62 PolarHBondContact O-N 3.16Å; A60-K63 HydrophobicContact CB-CB 4.03Å; A60-K63 HydrophobicContact CB-CG 3.9Å; A60-K63 WeakPolarHBondContact O-CB 3.35Å; A60-K63 PolarHBondContact O-N 2.84Å; A60-A112 HydrophobicContact CB-CB 4.39Å
61	P	95.2	Very high	97.8	Very high	109 Å²	109	51.7 Å²	51.7	71%	0.708	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	126.6	177.5	-26.1	34.6	0	0	0	112.2	K63	P61-K63 PolarHBondContact O-N 2.88Å
62	G	96.8	Very high	97.8	Very high	88 Å²	88	49.1 Å²	49.1	91%	0.907	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	11.9	-178.8	0	0	0	0	0	115.1	A60	A60-G62 PolarHBondContact O-N 3.16Å
63	K	95.4	Very high	97.8	Very high	130 Å²	130	47 Å²	47	57%	0.565	28%	0.283	S	S	*	.			trans	-114.7	164.5	176.3	-59.2	-65.3	-174.8	176.7	0	111.5	Q59 A60 P61	Q59-K63 WeakPolarHBondContact CG-O 3.46Å; Q59-K63 PolarHBondContact NE2-O 2.99Å; A60-K63 HydrophobicContact CB-CB 4.03Å; A60-K63 HydrophobicContact CB-CG 3.9Å; A60-K63 WeakPolarHBondContact O-CB 3.35Å; A60-K63 PolarHBondContact O-N 2.84Å; P61-K63 PolarHBondContact O-N 2.88Å
64	G	96.5	Very high	97.7	Very high	49 Å²	49	51 Å²	51	51%	0.505	30%	0.3	S	S	.	.			trans	-74.1	-179.9	170.7	0	0	0	0	0	112.5
65	L	97.8	Very high	97.6	Very high	119 Å²	119	52.5 Å²	52.5	62%	0.623	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.8	171.5	-68	174.5	0	0	0	110.5	V57 R58 Q59 Y115	V57-L65 HydrophobicContact CG1-CB 3.84Å; V57-L65 HydrophobicContact CG1-CD2 4.05Å; V57-L65 HydrophobicContact CG1-CG 4.37Å; R58-L65 CarbonylContact O-C 3.59Å; R58-L65 WeakPolarHBondContact O-CA 3.34Å; Q59-L65 HydrophobicContact CB-CD2 3.98Å; Q59-L65 HydrophobicContact CG-CD2 4.44Å; L65-Y115 HydrophobicContact CD2-CD2 4.39Å
66	E	98.1	Very high	97.5	Very high	78 Å²	78	52.8 Å²	52.8	36%	0.364	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.7	176.8	-67.7	-179.4	176.5	0	0	110	V57 R58	V57-E66 CarbonylContact C-O 3.47Å; V57-E66 WeakPolarHBondContact CA-O 3.37Å; V57-E66 VanDerWaalsContact CG1-O 3.27Å; V57-E66 WeakPolarHBondContact CG1-O 3.5Å; R58-E66 HydrophobicContact CG-CB 3.97Å; R58-E66 IonicContact CZ-OE2 3.07Å; R58-E66 PolarHBondContact N-O 3.01Å; R58-E66 IonicContact NE-OE2 3.47Å; R58-E66 PolarHBondContact NE-OE2 3.01Å; R58-E66 IonicContact NH2-OE2 3.44Å; R58-E66 PolarHBondContact NH2-OE2 3Å; R58-E66 PolarHBondContact O-N 2.76Å
67	Y	98.3	Very high	97.5	Very high	97 Å²	97	55.4 Å²	55.4	38%	0.38	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.4	173.4	174.1	-100.5	0	0	0	111.2	H55 S69 A70 Y79 A81	H55-Y67 AromaticContact ND1-CE2 3.88Å; Y67-S69 WeakPolarHBondContact CE2-O 3.3Å; Y67-A70 HydrophobicContact CE2-CB 4.09Å; Y67-A70 WeakPolarHBondContact OH-CB 3.46Å; Y67-A70 PolarHBondContact OH-N 2.79Å; Y67-Y79 WeakPolarHBondContact OH-CB 3.39Å; Y67-A81 HydrophobicContact CD1-CB 4.11Å; Y67-A81 VanDerWaalsContact O-CB 3.3Å; Y67-A81 WeakPolarHBondContact O-CB 3.47Å
68	V	98.6	Very high	97.5	Very high	0 Å²	0	57 Å²	57	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-58.1	179.9	-179.3	0	0	0	0	111.4	W56 R58 A81 V84 F88 L101 Y114	W56-V68 HydrophobicContact CB-CB 4.03Å; W56-V68 HydrophobicContact CB-CG1 4.4Å; W56-V68 WeakPolarHBondContact O-CB 3.23Å; W56-V68 PolarHBondContact O-N 3.44Å; R58-V68 HydrophobicContact CB-CG2 3.76Å; R58-V68 HydrophobicContact CG-CG2 3.61Å; V68-A81 PolarHBondContact O-N 2.95Å; V68-V84 HydrophobicContact CG1-CG1 4.37Å; V68-V84 HydrophobicContact CG1-CG2 4.1Å; V68-V84 WeakPolarHBondContact O-CG2 3.25Å; V68-F88 HydrophobicContact CG1-CD2 3.83Å; V68-F88 HydrophobicContact CG1-CE2 4.21Å; V68-L101 HydrophobicContact CG1-CD2 4.09Å; V68-Y114 HydrophobicContact CG1-CE1 4.41Å; V68-Y114 HydrophobicContact CG2-CD1 4.34Å; V68-Y114 HydrophobicContact CG2-CE1 4Å
69	S	98.7	Very high	97.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	164.6	-177.1	57.6	0	0	0	0	112.3	H55 W56 Y67 Y79	H55-S69 CarbonylContact C-O 3.55Å; H55-S69 WeakPolarHBondContact CA-O 3.11Å; W56-S69 PolarHBondContact N-O 2.8Å; W56-S69 PolarHBondContact O-N 2.79Å; Y67-S69 WeakPolarHBondContact CE2-O 3.3Å; S69-Y79 CarbonylContact C-O 3.46Å; S69-Y79 WeakPolarHBondContact CA-O 3.49Å; S69-Y79 VanDerWaalsContact CB-O 3.23Å; S69-Y79 WeakPolarHBondContact CB-O 3.34Å
70	A	98.8	Very high	97.6	Very high	5 Å²	5	62.6 Å²	62.6	4%	0.041	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	154.8	175	0	0	0	0	0	111.6	M54 H55 Y67 T78 Y79	M54-A70 CarbonylContact O-C 3.55Å; M54-A70 VanDerWaalsContact O-CA 3.28Å; M54-A70 WeakPolarHBondContact O-CA 3.38Å; H55-A70 VanDerWaalsContact ND1-CB 3.31Å; H55-A70 WeakPolarHBondContact ND1-CB 3.45Å; Y67-A70 HydrophobicContact CE2-CB 4.09Å; Y67-A70 WeakPolarHBondContact OH-CB 3.46Å; Y67-A70 PolarHBondContact OH-N 2.79Å; A70-T78 CarbonylContact O-C 3.57Å; A70-T78 VanDerWaalsContact O-CA 3.27Å; A70-T78 WeakPolarHBondContact O-CA 3.39Å; A70-Y79 PolarHBondContact N-O 3.35Å; A70-Y79 PolarHBondContact O-N 2.81Å
71	I	98.8	Very high	97.7	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.041	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.3	176.1	-172.1	162.5	0	0	0	110.4	A53 M54 S77 T78 I90 R92 L99	A53-I71 VanDerWaalsContact CA-O 3.29Å; A53-I71 WeakPolarHBondContact CA-O 3.33Å; M54-I71 HydrophobicContact CB-CG2 4.28Å; M54-I71 PolarHBondContact N-O 2.96Å; M54-I71 PolarHBondContact O-N 2.94Å; I71-S77 WeakPolarHBondContact CA-O 3.19Å; I71-T78 HydrophobicContact CB-CG2 4.35Å; I71-T78 HydrophobicContact CD1-CG2 3.98Å; I71-T78 HydrophobicContact CG1-CG2 3.98Å; I71-I90 HydrophobicContact CB-CD1 3.93Å; I71-I90 HydrophobicContact CB-CG1 4.21Å; I71-I90 HydrophobicContact CB-CG2 4.09Å; I71-I90 HydrophobicContact CG2-CD1 3.65Å; I71-I90 HydrophobicContact CG2-CG1 4Å; I71-R92 HydrophobicContact CD1-CB 4.34Å; I71-R92 HydrophobicContact CD1-CG 3.82Å; I71-R92 HydrophobicContact CG1-CG 4.38Å; I71-R92 HydrophobicContact CG2-CB 4.38Å; I71-L99 HydrophobicContact CG2-CD1 3.57Å
72	S	98.5	Very high	97.9	Very high	23 Å²	23	64.2 Å²	64.2	16%	0.161	38%	0.383	C	S	.	.			trans	-64	161.7	178.1	62.6	0	0	0	0	112.3	N74 G75 G76 S77 R92	S72-N74 VanDerWaalsContact C-N 3.27Å; S72-N74 PolarHBondContact O-N 3.24Å; S72-N74 PolarHBondContact OG-OD1 2.89Å; S72-G75 PolarHBondContact O-N 2.91Å; S72-G76 PolarHBondContact OG-N 2.85Å; S72-G76 VanDerWaalsContact OG-N 3.1Å; S72-S77 PolarHBondContact N-O 2.88Å; S72-S77 PolarHBondContact OG-N 3.05Å; S72-R92 WeakPolarHBondContact O-CD 3.46Å; S72-R92 PolarHBondContact O-NH1 2.87Å
73	S	98.1	Very high	97.9	Very high	48 Å²	48	62.9 Å²	62.9	34%	0.336	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-42.5	178.5	50.2	0	0	0	0	114.2	S50 Y52 R92 N94	S50-S73 VanDerWaalsContact O-CB 3.28Å; S50-S73 WeakPolarHBondContact O-CB 3.33Å; Y52-S73 WeakPolarHBondContact O-CA 3.48Å; S73-R92 PolarHBondContact O-NE 2.98Å; S73-R92 PolarHBondContact O-NH1 3.24Å; S73-R92 PolarHBondContact O-NH2 3.03Å; S73-N94 PolarHBondContact O-ND2 2.9Å; S73-N94 VanDerWaalsContact O-ND2 3.11Å
74	N	95.7	Very high	98	Very high	123 Å²	123	56.7 Å²	56.7	66%	0.658	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.7	178.1	67.9	-11	0	0	0	114.1	S72 G76	S72-N74 VanDerWaalsContact C-N 3.27Å; S72-N74 PolarHBondContact O-N 3.24Å; S72-N74 PolarHBondContact OG-OD1 2.89Å; N74-G76 VanDerWaalsContact C-N 3.25Å; N74-G76 PolarHBondContact O-N 3.13Å; N74-G76 PolarHBondContact OD1-N 2.78Å
75	G	97.3	Very high	98	Very high	31 Å²	31	61.1 Å²	61.1	32%	0.32	34%	0.338	S	S	.	.	S	Bend	trans	76.2	3.4	-176.8	0	0	0	0	0	115.6	S72	S72-G75 PolarHBondContact O-N 2.91Å
76	G	97	Very high	98	Very high	61 Å²	61	59.4 Å²	59.4	63%	0.629	35%	0.349	S	S	*	.			trans	-76.5	-25.1	-174.3	0	0	0	0	0	115.4	S72 N74	S72-G76 PolarHBondContact OG-N 2.85Å; S72-G76 VanDerWaalsContact OG-N 3.1Å; N74-G76 VanDerWaalsContact C-N 3.25Å; N74-G76 PolarHBondContact O-N 3.13Å; N74-G76 PolarHBondContact OD1-N 2.78Å
77	S	98.3	Very high	98	Very high	56 Å²	56	57.2 Å²	57.2	39%	0.392	34%	0.337	S	S	.	.			trans	-125.8	134.6	-178.7	-59.5	0	0	0	0	110.8	I71 S72	I71-S77 WeakPolarHBondContact CA-O 3.19Å; S72-S77 PolarHBondContact N-O 2.88Å; S72-S77 PolarHBondContact OG-N 3.05Å
78	T	98.7	Very high	98	Very high	62 Å²	62	52.7 Å²	52.7	38%	0.38	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141.6	176.3	59.5	0	0	0	0	111.5	A70 I71 Y80 I90	A70-T78 CarbonylContact O-C 3.57Å; A70-T78 VanDerWaalsContact O-CA 3.27Å; A70-T78 WeakPolarHBondContact O-CA 3.39Å; I71-T78 HydrophobicContact CB-CG2 4.35Å; I71-T78 HydrophobicContact CD1-CG2 3.98Å; I71-T78 HydrophobicContact CG1-CG2 3.98Å; T78-Y80 WeakPolarHBondContact OG1-CE2 3.15Å; T78-I90 HydrophobicContact CG2-CG2 3.85Å
79	Y	98.5	Very high	98	Very high	150 Å²	150	56.4 Å²	56.4	59%	0.588	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.5	176.9	-59.2	-89.4	0	0	0	109.7	Y67 S69 A70	Y67-Y79 WeakPolarHBondContact OH-CB 3.39Å; S69-Y79 CarbonylContact C-O 3.46Å; S69-Y79 WeakPolarHBondContact CA-O 3.49Å; S69-Y79 VanDerWaalsContact CB-O 3.23Å; S69-Y79 WeakPolarHBondContact CB-O 3.34Å; A70-Y79 PolarHBondContact N-O 3.35Å; A70-Y79 PolarHBondContact O-N 2.81Å
80	Y	98.7	Very high	98	Very high	57 Å²	57	56.6 Å²	56.6	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	141.6	-176.8	-61.3	-84.1	0	0	0	109.7	T78 F88 I90	T78-Y80 WeakPolarHBondContact OG1-CE2 3.15Å; Y80-F88 WeakPolarHBondContact CE1-O 3.47Å; Y80-I90 HydrophobicContact CE1-CB 4.34Å; Y80-I90 HydrophobicContact CE1-CG2 3.92Å; Y80-I90 PolarHBondContact OH-N 2.87Å; Y80-I90 VanDerWaalsContact OH-N 3.13Å
81	A	98.4	Very high	97.9	Very high	19 Å²	19	58.7 Å²	58.7	16%	0.157	36%	0.358	C	S	.	.			trans	-65.4	146.7	166.3	0	0	0	0	0	110.4	Y67 V68 S83 V84 K85	Y67-A81 HydrophobicContact CD1-CB 4.11Å; Y67-A81 VanDerWaalsContact O-CB 3.3Å; Y67-A81 WeakPolarHBondContact O-CB 3.47Å; V68-A81 PolarHBondContact O-N 2.95Å; A81-S83 PolarHBondContact O-N 3.27Å; A81-S83 VanDerWaalsContact O-N 3.16Å; A81-V84 HydrophobicContact CB-CG2 4.26Å; A81-V84 WeakPolarHBondContact O-CG2 3.27Å; A81-V84 PolarHBondContact O-N 3.32Å; A81-K85 PolarHBondContact O-N 2.9Å
82	D	98.1	Very high	97.9	Very high	145 Å²	145	59.9 Å²	59.9	78%	0.775	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-32	-178.1	-69.5	-31.3	0	0	0	112.6	V84	D82-V84 PolarHBondContact O-N 2.59Å
83	S	96.6	Very high	97.9	Very high	60 Å²	60	60.7 Å²	60.7	42%	0.42	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.2	178.1	56.4	0	0	0	0	113.8	A81 R87	A81-S83 PolarHBondContact O-N 3.27Å; A81-S83 VanDerWaalsContact O-N 3.16Å; S83-R87 PolarHBondContact O-NH2 2.85Å
84	V	98	Very high	97.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-8.3	-174.9	-57	0	0	0	0	113.7	V68 A81 D82 G86 R87 F88	V68-V84 HydrophobicContact CG1-CG1 4.37Å; V68-V84 HydrophobicContact CG1-CG2 4.1Å; V68-V84 WeakPolarHBondContact O-CG2 3.25Å; A81-V84 HydrophobicContact CB-CG2 4.26Å; A81-V84 WeakPolarHBondContact O-CG2 3.27Å; A81-V84 PolarHBondContact O-N 3.32Å; D82-V84 PolarHBondContact O-N 2.59Å; V84-G86 PolarHBondContact O-N 2.8Å; V84-R87 PolarHBondContact O-N 2.88Å; V84-F88 HydrophobicContact CB-CB 4.11Å; V84-F88 HydrophobicContact CB-CD1 4.36Å; V84-F88 HydrophobicContact CB-CD2 3.54Å; V84-F88 HydrophobicContact CB-CE2 3.93Å; V84-F88 HydrophobicContact CB-CG 3.76Å; V84-F88 HydrophobicContact CB-CZ 4.47Å; V84-F88 HydrophobicContact CG1-CD2 3.57Å; V84-F88 HydrophobicContact CG1-CE2 3.42Å; V84-F88 VanDerWaalsContact CG1-CE2 3.42Å; V84-F88 HydrophobicContact CG1-CG 4.22Å; V84-F88 HydrophobicContact CG1-CZ 3.96Å; V84-F88 HydrophobicContact CG2-CB 4.38Å; V84-F88 HydrophobicContact CG2-CD2 4.09Å; V84-F88 HydrophobicContact CG2-CG 4.44Å; V84-F88 PolarHBondContact O-N 2.8Å
85	K	97.5	Very high	98	Very high	142 Å²	142	60.3 Å²	60.3	62%	0.617	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	131	-178.7	-168.4	173.8	-175.1	176	0	110.9	A81 R87	A81-K85 PolarHBondContact O-N 2.9Å; K85-R87 PolarHBondContact O-N 3.07Å
86	G	97.5	Very high	98	Very high	82 Å²	82	65.1 Å²	65.1	85%	0.845	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	-5	-177	0	0	0	0	0	115.1	V84	V84-G86 PolarHBondContact O-N 2.8Å
87	R	97.4	Very high	98	Very high	32 Å²	32	65.2 Å²	65.2	12%	0.121	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-37.4	176.3	-60	-170.4	-58.8	109.9	-2.5	112.4	S83 V84 K85 G104 S105 D110	S83-R87 PolarHBondContact O-NH2 2.85Å; V84-R87 PolarHBondContact O-N 2.88Å; K85-R87 PolarHBondContact O-N 3.07Å; R87-G104 PolarHBondContact O-N 2.96Å; R87-S105 PolarHBondContact NH1-O 3.41Å; R87-S105 VanDerWaalsContact NH1-O 3.12Å; R87-D110 IonicContact CZ-OD1 3.83Å; R87-D110 IonicContact CZ-OD2 3.43Å; R87-D110 IonicContact NH1-OD1 3.76Å; R87-D110 IonicContact NH1-OD2 2.68Å; R87-D110 PolarHBondContact NH1-OD2 3.18Å; R87-D110 IonicContact NH2-OD1 2.94Å; R87-D110 PolarHBondContact NH2-OD1 2.9Å; R87-D110 IonicContact NH2-OD2 3.29Å; R87-D110 PolarHBondContact NH2-OD2 2.84Å
88	F	98.1	Very high	98.1	Very high	3 Å²	3	63.3 Å²	63.3	1%	0.013	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	154	-179.5	-65.1	6.1	0	0	0	111	V68 Y80 V84 L101 Q102 M103 L106 D110 Y114	V68-F88 HydrophobicContact CG1-CD2 3.83Å; V68-F88 HydrophobicContact CG1-CE2 4.21Å; Y80-F88 WeakPolarHBondContact CE1-O 3.47Å; V84-F88 HydrophobicContact CB-CB 4.11Å; V84-F88 HydrophobicContact CB-CD1 4.36Å; V84-F88 HydrophobicContact CB-CD2 3.54Å; V84-F88 HydrophobicContact CB-CE2 3.93Å; V84-F88 HydrophobicContact CB-CG 3.76Å; V84-F88 HydrophobicContact CB-CZ 4.47Å; V84-F88 HydrophobicContact CG1-CD2 3.57Å; V84-F88 HydrophobicContact CG1-CE2 3.42Å; V84-F88 VanDerWaalsContact CG1-CE2 3.42Å; V84-F88 HydrophobicContact CG1-CG 4.22Å; V84-F88 HydrophobicContact CG1-CZ 3.96Å; V84-F88 HydrophobicContact CG2-CB 4.38Å; V84-F88 HydrophobicContact CG2-CD2 4.09Å; V84-F88 HydrophobicContact CG2-CG 4.44Å; V84-F88 PolarHBondContact O-N 2.8Å; F88-L101 HydrophobicContact CB-CD1 4.1Å; F88-L101 HydrophobicContact CD2-CD1 4.35Å; F88-L101 HydrophobicContact CD2-CD2 4.2Å; F88-L101 HydrophobicContact CD2-CG 4.46Å; F88-Q102 CarbonylContact C-O 3.45Å; F88-Q102 WeakPolarHBondContact CA-O 3.38Å; F88-M103 HydrophobicContact CD1-CB 3.78Å; F88-M103 HydrophobicContact CD1-CG 4.03Å; F88-M103 HydrophobicContact CD2-CE 4.37Å; F88-M103 HydrophobicContact CD2-CG 4.06Å; F88-M103 HydrophobicContact CE1-CB 3.68Å; F88-M103 HydrophobicContact CE1-CE 4.06Å; F88-M103 HydrophobicContact CE1-CG 4.02Å; F88-M103 HydrophobicContact CE2-CE 3.46Å; F88-M103 VanDerWaalsContact CE2-CE 3.46Å; F88-M103 HydrophobicContact CE2-CG 4.03Å; F88-M103 HydrophobicContact CE2-SD 4.48Å; F88-M103 HydrophobicContact CG-CB 4.33Å; F88-M103 HydrophobicContact CG-CG 4.09Å; F88-M103 HydrophobicContact CZ-CB 4.12Å; F88-M103 HydrophobicContact CZ-CE 3.28Å; F88-M103 HydrophobicContact CZ-CG 4.03Å; F88-M103 HydrophobicContact CZ-SD 4.5Å; F88-L106 HydrophobicContact CE1-CD2 4.28Å; F88-L106 HydrophobicContact CZ-CD2 4.35Å; F88-D110 HydrophobicContact CZ-CB 4.07Å; F88-Y114 HydrophobicContact CE2-CE1 4.36Å
89	T	98.5	Very high	98.1	Very high	77 Å²	77	60.4 Å²	60.4	47%	0.472	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	118.9	176.9	-59.9	0	0	0	0	109.4	Q102	T89-Q102 PolarHBondContact N-O 2.79Å; T89-Q102 PolarHBondContact O-N 2.84Å
90	I	98.7	Very high	98.1	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.8	173.6	-169.4	173.9	0	0	0	109.1	I71 T78 Y80 L99 Y100 L101	I71-I90 HydrophobicContact CB-CD1 3.93Å; I71-I90 HydrophobicContact CB-CG1 4.21Å; I71-I90 HydrophobicContact CB-CG2 4.09Å; I71-I90 HydrophobicContact CG2-CD1 3.65Å; I71-I90 HydrophobicContact CG2-CG1 4Å; T78-I90 HydrophobicContact CG2-CG2 3.85Å; Y80-I90 HydrophobicContact CE1-CB 4.34Å; Y80-I90 HydrophobicContact CE1-CG2 3.92Å; Y80-I90 PolarHBondContact OH-N 2.87Å; Y80-I90 VanDerWaalsContact OH-N 3.13Å; I90-L99 HydrophobicContact CD1-CD1 4.04Å; I90-L99 HydrophobicContact CD1-CD2 4.5Å; I90-L99 HydrophobicContact CG1-CD1 4.06Å; I90-Y100 WeakPolarHBondContact CA-O 3.12Å; I90-L101 HydrophobicContact CB-CD1 4.43Å
91	S	98.6	Very high	98.1	Very high	49 Å²	49	52.2 Å²	52.2	34%	0.343	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	163.1	172.3	65	0	0	0	0	110.6	Y100	S91-Y100 PolarHBondContact N-O 2.87Å; S91-Y100 PolarHBondContact O-N 2.91Å
92	R	98.5	Very high	98	Very high	33 Å²	33	54.9 Å²	54.9	13%	0.125	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	149.8	-177.7	68	-176.5	-68.5	154	2.9	111.2	F49 Y52 I71 S72 S73 N94 T98 L99	F49-R92 HydrophobicContact CE1-CB 4.26Å; F49-R92 VanDerWaalsContact CE1-NH2 3.31Å; F49-R92 HydrophobicContact CZ-CB 4.25Å; F49-R92 PolarHBondContact O-NH2 3.37Å; Y52-R92 PolarHBondContact O-NH1 3.21Å; Y52-R92 PolarHBondContact O-NH2 3.03Å; I71-R92 HydrophobicContact CD1-CB 4.34Å; I71-R92 HydrophobicContact CD1-CG 3.82Å; I71-R92 HydrophobicContact CG1-CG 4.38Å; I71-R92 HydrophobicContact CG2-CB 4.38Å; S72-R92 WeakPolarHBondContact O-CD 3.46Å; S72-R92 PolarHBondContact O-NH1 2.87Å; S73-R92 PolarHBondContact O-NE 2.98Å; S73-R92 PolarHBondContact O-NH1 3.24Å; S73-R92 PolarHBondContact O-NH2 3.03Å; R92-N94 PolarHBondContact NE-OD1 2Å; R92-N94 PolarHBondContact NH2-OD1 3.11Å; R92-T98 WeakPolarHBondContact CA-O 3.49Å; R92-L99 HydrophobicContact CB-CD1 4.09Å
93	D	98.2	Very high	98	Very high	39 Å²	39	48.1 Å²	48.1	21%	0.209	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	104.5	171.3	-174	-21	0	0	0	109	S95 K96 N97 T98 Y100	D93-S95 VanDerWaalsContact C-N 3.27Å; D93-S95 PolarHBondContact O-N 2.83Å; D93-S95 WeakPolarHBondContact OD1-CA 2.95Å; D93-S95 WeakPolarHBondContact OD1-CB 3.01Å; D93-S95 PolarHBondContact OD1-N 2.94Å; D93-S95 PolarHBondContact OD1-OG 3.42Å; D93-K96 HydrophobicContact CB-CB 4.26Å; D93-K96 PolarHBondContact O-N 2.86Å; D93-K96 PolarHBondContact OD1-N 3.33Å; D93-K96 WeakPolarHBondContact OD2-CD 3.27Å; D93-K96 WeakPolarHBondContact OD2-CE 3.36Å; D93-K96 WeakPolarHBondContact OD2-CG 3.39Å; D93-K96 IonicContact OD2-NZ 3.01Å; D93-K96 PolarHBondContact OD2-NZ 2.82Å; D93-N97 PolarHBondContact O-N 2.94Å; D93-T98 PolarHBondContact N-O 3.1Å; D93-T98 PolarHBondContact O-N 2.99Å; D93-T98 VanDerWaalsContact O-N 3.07Å; D93-Y100 HydrophobicContact CB-CE2 4.08Å
94	N	98	Very high	98	Very high	60 Å²	60	46.1 Å²	46.1	32%	0.321	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-22.7	-179.6	-75.7	-11.5	0	0	0	113	F49 S73 R92 K96 N97	F49-N94 VanDerWaalsContact CD1-OD1 3.28Å; F49-N94 WeakPolarHBondContact CD1-OD1 3.32Å; F49-N94 VanDerWaalsContact CE1-OD1 3.24Å; F49-N94 WeakPolarHBondContact CE1-OD1 3.33Å; S73-N94 PolarHBondContact O-ND2 2.9Å; S73-N94 VanDerWaalsContact O-ND2 3.11Å; R92-N94 PolarHBondContact NE-OD1 2Å; R92-N94 PolarHBondContact NH2-OD1 3.11Å; N94-K96 VanDerWaalsContact C-N 3.3Å; N94-N97 PolarHBondContact O-OD1 3.02Å
95	S	97.5	Very high	97.8	Very high	104 Å²	104	49.9 Å²	49.9	73%	0.727	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-25	176.4	73.3	0	0	0	0	112.1	D93	D93-S95 VanDerWaalsContact C-N 3.27Å; D93-S95 PolarHBondContact O-N 2.83Å; D93-S95 WeakPolarHBondContact OD1-CA 2.95Å; D93-S95 WeakPolarHBondContact OD1-CB 3.01Å; D93-S95 PolarHBondContact OD1-N 2.94Å; D93-S95 PolarHBondContact OD1-OG 3.42Å
96	K	97.7	Very high	97.8	Very high	132 Å²	132	44 Å²	44	57%	0.574	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	1.2	179.8	-60.8	-179.2	-167.9	161.9	0	113.8	D93 N94 T98	D93-K96 HydrophobicContact CB-CB 4.26Å; D93-K96 PolarHBondContact O-N 2.86Å; D93-K96 PolarHBondContact OD1-N 3.33Å; D93-K96 WeakPolarHBondContact OD2-CD 3.27Å; D93-K96 WeakPolarHBondContact OD2-CE 3.36Å; D93-K96 WeakPolarHBondContact OD2-CG 3.39Å; D93-K96 IonicContact OD2-NZ 3.01Å; D93-K96 PolarHBondContact OD2-NZ 2.82Å; N94-K96 VanDerWaalsContact C-N 3.3Å; K96-T98 PolarHBondContact O-N 2.89Å; K96-T98 PolarHBondContact O-OG1 3Å
97	N	97.8	Very high	97.6	Very high	62 Å²	62	46.7 Å²	46.7	33%	0.332	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	43	-171.3	-58.2	-32.6	0	0	0	112.6	A44 F49 D93 N94	A44-N97 PolarHBondContact N-O 3.26Å; A44-N97 VanDerWaalsContact O-CB 3.27Å; A44-N97 WeakPolarHBondContact O-CB 3.39Å; F49-N97 HydrophobicContact CB-CB 3.89Å; F49-N97 WeakPolarHBondContact CB-OD1 3.35Å; F49-N97 HydrophobicContact CD1-CB 4.4Å; F49-N97 HydrophobicContact CG-CB 4.08Å; D93-N97 PolarHBondContact O-N 2.94Å; N94-N97 PolarHBondContact O-OD1 3.02Å
98	T	98.5	Very high	97.5	Very high	17 Å²	17	48.4 Å²	48.4	10%	0.104	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.6	-172.9	-52.7	0	0	0	0	111.4	C42 R92 D93 K96 Y100	C42-T98 CarbonylContact O-C 3.56Å; C42-T98 WeakPolarHBondContact O-CA 3.29Å; R92-T98 WeakPolarHBondContact CA-O 3.49Å; D93-T98 PolarHBondContact N-O 3.1Å; D93-T98 PolarHBondContact O-N 2.99Å; D93-T98 VanDerWaalsContact O-N 3.07Å; K96-T98 PolarHBondContact O-N 2.89Å; K96-T98 PolarHBondContact O-OG1 3Å; T98-Y100 HydrophobicContact CG2-CD1 4.1Å; T98-Y100 HydrophobicContact CG2-CE1 3.44Å; T98-Y100 VanDerWaalsContact CG2-CE1 3.44Å; T98-Y100 HydrophobicContact CG2-CE2 3.97Å; T98-Y100 WeakPolarHBondContact CG2-OH 3.31Å
99	L	98.7	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	143.8	169.8	-170.3	71.1	0	0	0	109.7	S41 C42 F49 M54 W56 I71 I90 R92 C116	S41-L99 CarbonylContact C-O 3.45Å; S41-L99 VanDerWaalsContact CA-O 3.24Å; S41-L99 WeakPolarHBondContact CA-O 3.5Å; C42-L99 HydrophobicContact CB-CB 4.18Å; C42-L99 PolarHBondContact N-O 2.8Å; C42-L99 PolarHBondContact O-N 3.44Å; F49-L99 HydrophobicContact CE2-CB 4.47Å; F49-L99 HydrophobicContact CZ-CB 4.31Å; M54-L99 HydrophobicContact CB-CD1 3.66Å; M54-L99 HydrophobicContact CB-CD2 3.85Å; M54-L99 HydrophobicContact CB-CG 4.3Å; M54-L99 HydrophobicContact CG-CD1 4.46Å; W56-L99 HydrophobicContact CD2-CD2 4.38Å; W56-L99 HydrophobicContact CG-CD2 4.34Å; W56-L99 HydrophobicContact CZ2-CD2 4.35Å; W56-L99 VanDerWaalsContact NE1-CD2 3.28Å; I71-L99 HydrophobicContact CG2-CD1 3.57Å; I90-L99 HydrophobicContact CD1-CD1 4.04Å; I90-L99 HydrophobicContact CD1-CD2 4.5Å; I90-L99 HydrophobicContact CG1-CD1 4.06Å; R92-L99 HydrophobicContact CB-CD1 4.09Å; L99-C116 HydrophobicContact CD2-CB 3.97Å
100	Y	98.5	Very high	97.1	Very high	35 Å²	35	50.9 Å²	50.9	14%	0.137	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.1	177.4	-57.2	-73.6	0	0	0	111.2	R39 L40 I90 S91 D93 T98	R39-Y100 VanDerWaalsContact NH2-CG 3.28Å; L40-Y100 VanDerWaalsContact O-CA 3.32Å; L40-Y100 WeakPolarHBondContact O-CA 3.28Å; I90-Y100 WeakPolarHBondContact CA-O 3.12Å; S91-Y100 PolarHBondContact N-O 2.87Å; S91-Y100 PolarHBondContact O-N 2.91Å; D93-Y100 HydrophobicContact CB-CE2 4.08Å; T98-Y100 HydrophobicContact CG2-CD1 4.1Å; T98-Y100 HydrophobicContact CG2-CE1 3.44Å; T98-Y100 VanDerWaalsContact CG2-CE1 3.44Å; T98-Y100 HydrophobicContact CG2-CE2 3.97Å; T98-Y100 WeakPolarHBondContact CG2-OH 3.31Å
101	L	98.6	Very high	96.9	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	109.7	167	-173.1	63.8	0	0	0	108.6	R39 L40 W56 V68 F88 I90 M103 Y114	R39-L101 WeakPolarHBondContact CA-O 3.24Å; L40-L101 HydrophobicContact CB-CB 4.24Å; L40-L101 HydrophobicContact CD1-CD2 4.37Å; L40-L101 PolarHBondContact N-O 3.04Å; L40-L101 PolarHBondContact O-N 3.32Å; W56-L101 HydrophobicContact CB-CD2 4.25Å; W56-L101 HydrophobicContact CD2-CB 4.18Å; W56-L101 HydrophobicContact CD2-CD2 4.24Å; W56-L101 HydrophobicContact CG-CB 4.21Å; W56-L101 HydrophobicContact CG-CD2 4Å; W56-L101 HydrophobicContact CG-CG 4.49Å; W56-L101 HydrophobicContact CZ2-CB 4.29Å; V68-L101 HydrophobicContact CG1-CD2 4.09Å; F88-L101 HydrophobicContact CB-CD1 4.1Å; F88-L101 HydrophobicContact CD2-CD1 4.35Å; F88-L101 HydrophobicContact CD2-CD2 4.2Å; F88-L101 HydrophobicContact CD2-CG 4.46Å; I90-L101 HydrophobicContact CB-CD1 4.43Å; L101-M103 HydrophobicContact CD2-CG 4.03Å; L101-M103 HydrophobicContact CD2-SD 4.17Å; L101-M103 HydrophobicContact CG-CG 3.88Å; L101-Y114 HydrophobicContact CD2-CD1 4Å; L101-Y114 HydrophobicContact CD2-CE1 4.12Å
102	Q	98	Very high	96.7	Very high	75 Å²	75	55.9 Å²	55.9	35%	0.35	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.5	168.8	-174.5	63.6	46.1	0	0	108.4	L38 F88 T89	L38-Q102 PolarHBondContact O-NE2 3.44Å; F88-Q102 CarbonylContact C-O 3.45Å; F88-Q102 WeakPolarHBondContact CA-O 3.38Å; T89-Q102 PolarHBondContact N-O 2.79Å; T89-Q102 PolarHBondContact O-N 2.84Å
103	M	97.4	Very high	96.6	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.1	-178.7	-56	167.8	76.7	0	0	108.5	S37 L38 L40 F88 L101 L106 Y114	S37-M103 CarbonylContact C-O 3.58Å; S37-M103 WeakPolarHBondContact CA-O 3.12Å; S37-M103 VanDerWaalsContact CB-O 3.29Å; S37-M103 WeakPolarHBondContact CB-O 3.43Å; L38-M103 PolarHBondContact N-O 3.41Å; L38-M103 WeakPolarHBondContact O-CB 3.17Å; L38-M103 PolarHBondContact O-N 2.8Å; L40-M103 HydrophobicContact CD1-SD 3.85Å; L40-M103 HydrophobicContact CG-SD 3.96Å; F88-M103 HydrophobicContact CD1-CB 3.78Å; F88-M103 HydrophobicContact CD1-CG 4.03Å; F88-M103 HydrophobicContact CD2-CE 4.37Å; F88-M103 HydrophobicContact CD2-CG 4.06Å; F88-M103 HydrophobicContact CE1-CB 3.68Å; F88-M103 HydrophobicContact CE1-CE 4.06Å; F88-M103 HydrophobicContact CE1-CG 4.02Å; F88-M103 HydrophobicContact CE2-CE 3.46Å; F88-M103 VanDerWaalsContact CE2-CE 3.46Å; F88-M103 HydrophobicContact CE2-CG 4.03Å; F88-M103 HydrophobicContact CE2-SD 4.48Å; F88-M103 HydrophobicContact CG-CB 4.33Å; F88-M103 HydrophobicContact CG-CG 4.09Å; F88-M103 HydrophobicContact CZ-CB 4.12Å; F88-M103 HydrophobicContact CZ-CE 3.28Å; F88-M103 HydrophobicContact CZ-CG 4.03Å; F88-M103 HydrophobicContact CZ-SD 4.5Å; L101-M103 HydrophobicContact CD2-CG 4.03Å; L101-M103 HydrophobicContact CD2-SD 4.17Å; L101-M103 HydrophobicContact CG-CG 3.88Å; M103-L106 HydrophobicContact CB-CD2 3.85Å; M103-L106 HydrophobicContact CE-CD2 3.64Å; M103-L106 HydrophobicContact SD-CD2 4.46Å; M103-Y114 HydrophobicContact CE-CE1 3.82Å; M103-Y114 HydrophobicContact CE-CE2 3.82Å; M103-Y114 VanDerWaalsContact CE-OH 3.23Å; M103-Y114 WeakPolarHBondContact CE-OH 3.28Å
104	G	95.4	Very high	96.6	Very high	19 Å²	19	57.4 Å²	57.4	20%	0.196	31%	0.312	C	S	.	.			trans	-118.1	159.8	174.7	0	0	0	0	0	111.9	R87 L106	R87-G104 PolarHBondContact O-N 2.96Å; G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.17Å
105	S	95.4	Very high	96.6	Very high	79 Å²	79	59 Å²	59	55%	0.552	32%	0.315	S	S	*	.	S	Bend	trans	48.6	51.8	179.1	-57.6	0	0	0	0	111.7	G36 R87 R107	G36-S105 PolarHBondContact O-N 2.92Å; R87-S105 PolarHBondContact NH1-O 3.41Å; R87-S105 VanDerWaalsContact NH1-O 3.12Å; S105-R107 PolarHBondContact O-N 3.03Å
106	L	95.9	Very high	96.6	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.099	28%	0.283	C	S	.	.			trans	-57	136.2	-177	-75.7	169.1	0	0	0	110.8	V32 P34 G35 G36 L38 F88 M103 G104 D110	V32-L106 HydrophobicContact CB-CD1 3.94Å; V32-L106 HydrophobicContact CG1-CD1 3.99Å; P34-L106 CarbonylContact C-O 3.57Å; P34-L106 WeakPolarHBondContact CA-O 3.4Å; G35-L106 PolarHBondContact N-O 2.68Å; G36-L106 PolarHBondContact O-N 3.06Å; G36-L106 VanDerWaalsContact O-N 3.1Å; L38-L106 HydrophobicContact CB-CD1 4.01Å; F88-L106 HydrophobicContact CE1-CD2 4.28Å; F88-L106 HydrophobicContact CZ-CD2 4.35Å; M103-L106 HydrophobicContact CB-CD2 3.85Å; M103-L106 HydrophobicContact CE-CD2 3.64Å; M103-L106 HydrophobicContact SD-CD2 4.46Å; G104-L106 VanDerWaalsContact C-N 3.28Å; G104-L106 PolarHBondContact O-N 3.17Å; L106-D110 HydrophobicContact CD2-CB 4.07Å
107	R	95.2	Very high	96.6	Very high	137 Å²	137	49.9 Å²	49.9	52%	0.517	27%	0.269	S	S	.	.			trans	-114.7	167.2	176.6	-51.9	179.1	178	170.3	-2.1	110.3	S105 E109 D110	S105-R107 PolarHBondContact O-N 3.03Å; R107-E109 WeakPolarHBondContact CB-OE2 3.43Å; R107-E109 PolarHBondContact O-N 3.2Å; R107-D110 PolarHBondContact N-OD2 3.07Å; R107-D110 WeakPolarHBondContact O-CB 3.38Å; R107-D110 PolarHBondContact O-N 3.49Å
108	A	93.2	Very high	96.4	Very high	68 Å²	68	52.8 Å²	52.8	56%	0.562	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-58.9	-32.8	175.7	0	0	0	0	0	111.7	D110 M111	A108-D110 PolarHBondContact O-N 3.4Å; A108-M111 WeakPolarHBondContact O-CB 3.27Å; A108-M111 PolarHBondContact O-N 3.47Å
109	E	93.6	Very high	96.3	Very high	127 Å²	127	54.6 Å²	54.6	59%	0.593	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-72.9	-7.9	178.3	-49.8	77.2	-155.9	0	0	113.6	R58 R107	R58-E109 PolarHBondContact NH1-O 3.5Å; R58-E109 PolarHBondContact NH2-O 3.23Å; R107-E109 WeakPolarHBondContact CB-OE2 3.43Å; R107-E109 PolarHBondContact O-N 3.2Å
110	D	95.2	Very high	96.2	Very high	6 Å²	6	57.4 Å²	57.4	3%	0.032	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-90	-5.8	175.5	-58.6	-44	0	0	0	113	R58 R87 F88 L106 R107 A108 A112 Y114	R58-D110 IonicContact NH1-OD1 3Å; R58-D110 PolarHBondContact NH1-OD1 3.42Å; R87-D110 IonicContact CZ-OD1 3.83Å; R87-D110 IonicContact CZ-OD2 3.43Å; R87-D110 IonicContact NH1-OD1 3.76Å; R87-D110 IonicContact NH1-OD2 2.68Å; R87-D110 PolarHBondContact NH1-OD2 3.18Å; R87-D110 IonicContact NH2-OD1 2.94Å; R87-D110 PolarHBondContact NH2-OD1 2.9Å; R87-D110 IonicContact NH2-OD2 3.29Å; R87-D110 PolarHBondContact NH2-OD2 2.84Å; F88-D110 HydrophobicContact CZ-CB 4.07Å; L106-D110 HydrophobicContact CD2-CB 4.07Å; R107-D110 PolarHBondContact N-OD2 3.07Å; R107-D110 WeakPolarHBondContact O-CB 3.38Å; R107-D110 PolarHBondContact O-N 3.49Å; A108-D110 PolarHBondContact O-N 3.4Å; D110-A112 PolarHBondContact O-N 2.7Å; D110-A112 VanDerWaalsContact O-N 3.11Å; D110-Y114 WeakPolarHBondContact O-CE2 3.38Å; D110-Y114 PolarHBondContact O-OH 3.35Å
111	M	93.9	Very high	96.1	Very high	133 Å²	133	58.7 Å²	58.7	66%	0.655	31%	0.308	S	S	*	.			trans	-70.8	103.2	176.9	-175.4	176.5	59.7	0	0	110.5	A108	A108-M111 WeakPolarHBondContact O-CB 3.27Å; A108-M111 PolarHBondContact O-N 3.47Å
112	A	95.3	Very high	95.9	Very high	26 Å²	26	62.1 Å²	62.1	22%	0.215	33%	0.326	C	S	.	.	S	Bend	trans	-158.4	165.8	-176.5	0	0	0	0	0	110.1	R58 Q59 A60 D110 Y114	R58-A112 HydrophobicContact CB-CB 3.87Å; R58-A112 HydrophobicContact CG-CB 4.19Å; Q59-A112 WeakPolarHBondContact O-CA 3.31Å; Q59-A112 WeakPolarHBondContact O-CB 3.13Å; A60-A112 HydrophobicContact CB-CB 4.39Å; D110-A112 PolarHBondContact O-N 2.7Å; D110-A112 VanDerWaalsContact O-N 3.11Å; A112-Y114 HydrophobicContact CB-CD2 4.45Å; A112-Y114 HydrophobicContact CB-CE2 3.95Å; A112-Y114 WeakPolarHBondContact O-CD2 3.38Å; A112-Y114 WeakPolarHBondContact O-CE2 3.48Å
113	V	96.1	Very high	95.8	Very high	79 Å²	79	61.3 Å²	61.3	48%	0.479	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	134.3	161.8	-172.4	0	0	0	0	108	R58 Q59 Y115	R58-V113 CarbonylContact C-O 3.55Å; R58-V113 WeakPolarHBondContact CA-O 3.19Å; Q59-V113 PolarHBondContact N-O 3.04Å; Q59-V113 PolarHBondContact O-N 3.43Å; V113-Y115 HydrophobicContact CB-CE2 3.99Å; V113-Y115 HydrophobicContact CG1-CE1 3.86Å; V113-Y115 HydrophobicContact CG1-CE2 3.78Å; V113-Y115 WeakPolarHBondContact CG1-OH 3.28Å
114	Y	97.5	Very high	95.7	Very high	25 Å²	25	65.2 Å²	65.2	10%	0.098	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.5	-179.6	-73.7	-102.4	0	0	0	109.8	L40 V57 R58 V68 F88 L101 M103 D110 A112	L40-Y114 HydrophobicContact CD1-CD1 4.01Å; L40-Y114 HydrophobicContact CD1-CD2 3.99Å; L40-Y114 HydrophobicContact CD1-CG 3.56Å; V57-Y114 WeakPolarHBondContact O-CA 3.41Å; R58-Y114 HydrophobicContact CB-CD1 3.78Å; R58-Y114 HydrophobicContact CB-CD2 4.44Å; R58-Y114 HydrophobicContact CB-CE1 3.69Å; R58-Y114 HydrophobicContact CB-CE2 4.35Å; R58-Y114 HydrophobicContact CB-CG 4.15Å; R58-Y114 HydrophobicContact CG-CE1 4.39Å; V68-Y114 HydrophobicContact CG1-CE1 4.41Å; V68-Y114 HydrophobicContact CG2-CD1 4.34Å; V68-Y114 HydrophobicContact CG2-CE1 4Å; F88-Y114 HydrophobicContact CE2-CE1 4.36Å; L101-Y114 HydrophobicContact CD2-CD1 4Å; L101-Y114 HydrophobicContact CD2-CE1 4.12Å; M103-Y114 HydrophobicContact CE-CE1 3.82Å; M103-Y114 HydrophobicContact CE-CE2 3.82Å; M103-Y114 VanDerWaalsContact CE-OH 3.23Å; M103-Y114 WeakPolarHBondContact CE-OH 3.28Å; D110-Y114 WeakPolarHBondContact O-CE2 3.38Å; D110-Y114 PolarHBondContact O-OH 3.35Å; A112-Y114 HydrophobicContact CB-CD2 4.45Å; A112-Y114 HydrophobicContact CB-CE2 3.95Å; A112-Y114 WeakPolarHBondContact O-CD2 3.38Å; A112-Y114 WeakPolarHBondContact O-CE2 3.48Å
115	Y	98	Very high	95.7	Very high	94 Å²	94	68.5 Å²	68.5	37%	0.369	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.9	-180	-56.7	-78.2	0	0	0	109.1	E26 W56 V57 Q59 L65 V113	E26-Y115 WeakPolarHBondContact OE1-CA 3.39Å; W56-Y115 WeakPolarHBondContact CA-O 3.33Å; V57-Y115 PolarHBondContact N-O 3.25Å; V57-Y115 PolarHBondContact O-N 3.02Å; V57-Y115 VanDerWaalsContact O-O 3.13Å; Q59-Y115 HydrophobicContact CB-CE2 4.12Å; L65-Y115 HydrophobicContact CD2-CD2 4.39Å; V113-Y115 HydrophobicContact CB-CE2 3.99Å; V113-Y115 HydrophobicContact CG1-CE1 3.86Å; V113-Y115 HydrophobicContact CG1-CE2 3.78Å; V113-Y115 WeakPolarHBondContact CG1-OH 3.28Å
116	C	98.2	Very high	95.7	Very high	8 Å²	8	67.7 Å²	67.7	5%	0.054	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	149.6	165.9	57	0	0	0	0	109.9	L24 E26 C42 H55 W56 L99	L24-C116 WeakPolarHBondContact CD1-O 3.21Å; E26-C116 PolarHBondContact OE1-N 2.92Å; E26-C116 PolarHBondContact OE1-SG 3.16Å; C42-C116 HydrophobicContact CB-CB 3.43Å; C42-C116 VanDerWaalsContact CB-CB 3.43Å; C42-C116 WeakPolarHBondContact CB-SG 3.35Å; C42-C116 WeakPolarHBondContact SG-CB 3.47Å; C42-C116 CovalentContact SG-SG 2Å; C42-C116 PolarHBondContact SG-SG 3.04Å; H55-C116 CarbonylContact O-C 3.53Å; H55-C116 VanDerWaalsContact O-CA 3.25Å; H55-C116 WeakPolarHBondContact O-CA 3.49Å; W56-C116 HydrophobicContact CD2-CB 4.43Å; W56-C116 HydrophobicContact CE3-CB 4.26Å; W56-C116 HydrophobicContact CH2-CB 4.27Å; W56-C116 HydrophobicContact CZ2-CB 4.43Å; W56-C116 HydrophobicContact CZ3-CB 4.18Å; L99-C116 HydrophobicContact CD2-CB 3.97Å
117	A	97.9	Very high	95.7	Very high	36 Å²	36	71.8 Å²	71.8	30%	0.298	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	148.4	177.7	0	0	0	0	0	110.5	M54 H55 V57	M54-A117 CarbonylContact C-O 3.58Å; M54-A117 WeakPolarHBondContact CA-O 3.24Å; M54-A117 WeakPolarHBondContact CE-O 3.33Å; H55-A117 HydrophobicContact CB-CB 4.35Å; H55-A117 PolarHBondContact N-O 3.13Å; H55-A117 PolarHBondContact O-N 2.8Å; V57-A117 HydrophobicContact CG2-CB 4.5Å
118	R	94.1	Very high	95.7	Very high	122 Å²	122	65.8 Å²	65.8	46%	0.46	35%	0.347	S	S	.	.			trans	-96.6	0	172.3	-173.1	-170.3	80.2	-179.5	-2.8	110.2	F47 Y52 M54	F47-R118 VanDerWaalsContact CB-NH1 3.32Å; F47-R118 HydrophobicContact CD2-CG 4.44Å; F47-R118 HydrophobicContact CE2-CB 4.46Å; F47-R118 HydrophobicContact CE2-CG 3.82Å; F47-R118 HydrophobicContact CZ-CB 4.32Å; F47-R118 HydrophobicContact CZ-CG 4.18Å; Y52-R118 HydrophobicContact CD1-CG 3.64Å; Y52-R118 HydrophobicContact CD2-CG 4.16Å; Y52-R118 HydrophobicContact CE1-CG 4.47Å; Y52-R118 HydrophobicContact CG-CG 3.46Å; Y52-R118 VanDerWaalsContact CG-CG 3.46Å; M54-R118 HydrophobicContact CE-CB 4.18Å; M54-R118 HydrophobicContact SD-CB 3.88Å; M54-R118 HydrophobicContact SD-CG 3.91Å

Retrieved 118 of 118 residues in 74.7 ms (Link to these results)

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