A0A075B647_MOUSE Loading...

T cell receptor alpha variable 9-2

AlphaFold DB , UniProt , Accession A0A075B647, Species MOUSE (Mus musculus, Mouse), Gene Trav9-2, Length 113 aa.

						>A0A075B647_MOUSE|A0A075B647|Trav9-2
MLLALLPVLGIHFVLRDAQAQSVTQPDARVTVSEGASLQLRCKYSYSGTPYLFWYVQYPRQGLQLLLKYYSGDPVVQGVNGFEAEFSKSNSSFHLRKASVHWSDSAVYFCVLS
					

Structure Viewer

Loading PAE data...

(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	52.5	Low	56	Low	227 Å²	227	142.7 Å²	142.7	100%	1.118	81%	0.812	S	S	*	*				0	87	0	-73.7	-66	-64.4	0	0	108	L3	M1-L3 PolarHBondContact O-N 3.45Å
2	L	40.4	Very low	56.5	Low	178 Å²	178	145.4 Å²	145.4	93%	0.932	81%	0.811	S	S	*	*			trans	-85.4	105.4	-179.1	-149.7	82.3	0	0	0	107.7	A4	L2-A4 PolarHBondContact O-N 3.39Å
3	L	48	Very low	57.1	Low	150 Å²	150	148 Å²	148	79%	0.785	81%	0.809	S	S	*	*			trans	-75.7	108.7	173.7	-85.7	100.7	0	0	0	109	M1 L5	M1-L3 PolarHBondContact O-N 3.45Å; L3-L5 PolarHBondContact O-N 3.48Å
4	A	52.1	Low	57.8	Low	94 Å²	94	146.3 Å²	146.3	78%	0.777	81%	0.805	S	S	*	*			trans	-78.1	112.8	168.6	0	0	0	0	0	109.3	L2 L6	L2-A4 PolarHBondContact O-N 3.39Å; A4-L6 PolarHBondContact O-N 3.08Å
5	L	55	Low	58.3	Low	166 Å²	166	147.3 Å²	147.3	87%	0.869	81%	0.808	S	S	*	*			trans	-79.5	110	169.8	-69.1	162.1	0	0	0	108.1	L3	L3-L5 PolarHBondContact O-N 3.48Å
6	L	56.7	Low	58.4	Low	156 Å²	156	152.6 Å²	152.6	82%	0.817	81%	0.812	S	S	*	*			trans	-72.4	132.5	172.6	-72.8	162.8	0	0	0	109.5	A4 V8	A4-L6 PolarHBondContact O-N 3.08Å; L6-V8 PolarHBondContact O-N 2.87Å
7	P	59.6	Low	58.7	Low	116 Å²	116	153.1 Å²	153.1	75%	0.753	82%	0.815	S	S	*	*			trans	-74.5	122	176	31.4	-30.1	0	0	0	108.3	L9	P7-L9 PolarHBondContact O-N 2.88Å
8	V	62.2	Low	59.1	Low	142 Å²	142	149.8 Å²	149.8	86%	0.861	81%	0.813	S	S	*	*			trans	-68.4	102.4	169.9	-179.2	0	0	0	0	106.8	L6 G10	L6-V8 PolarHBondContact O-N 2.87Å; V8-G10 PolarHBondContact O-N 3.01Å
9	L	59.1	Low	59.7	Low	162 Å²	162	148.2 Å²	148.2	85%	0.848	80%	0.799	S	S	*	*			trans	-72.2	83.6	174.1	-167.1	73	0	0	0	108.3	P7 I11	P7-L9 PolarHBondContact O-N 2.88Å; L9-I11 PolarHBondContact O-N 2.84Å
10	G	62.4	Low	61	Low	48 Å²	48	144.6 Å²	144.6	50%	0.495	79%	0.791	S	S	.	*			trans	-65.9	110.1	172.3	0	0	0	0	0	109.6	V8 H12	V8-G10 PolarHBondContact O-N 3.01Å; G10-H12 VanDerWaalsContact C-N 3.32Å; G10-H12 PolarHBondContact O-N 3.38Å
11	I	67.8	Low	62.5	Low	131 Å²	131	141.8 Å²	141.8	67%	0.672	77%	0.772	S	S	*	*			trans	-68.1	95.7	168.2	-61.2	171.9	0	0	0	106.7	L9 F13	L9-I11 PolarHBondContact O-N 2.84Å; I11-F13 VanDerWaalsContact C-N 3.31Å; I11-F13 HydrophobicContact CB-CE2 4.46Å; I11-F13 HydrophobicContact CG2-CD2 3.73Å; I11-F13 HydrophobicContact CG2-CE2 3.66Å; I11-F13 HydrophobicContact CG2-CG 4.42Å; I11-F13 HydrophobicContact CG2-CZ 4.3Å; I11-F13 PolarHBondContact O-N 3Å
12	H	61.8	Low	64.6	Low	175 Å²	175	133.6 Å²	133.6	81%	0.81	74%	0.737	S	S	*	*			trans	-69.3	94.6	165.4	-76.5	-70.6	0	0	0	107.8	G10 V14	G10-H12 VanDerWaalsContact C-N 3.32Å; G10-H12 PolarHBondContact O-N 3.38Å; H12-V14 VanDerWaalsContact C-N 3.27Å; H12-V14 PolarHBondContact O-N 2.94Å
13	F	64.7	Low	67.3	Low	179 Å²	179	127.5 Å²	127.5	79%	0.785	71%	0.707	S	S	*	*			trans	-61.7	95.3	162.3	-83.7	-87.7	0	0	0	107.6	I11 L15	I11-F13 VanDerWaalsContact C-N 3.31Å; I11-F13 HydrophobicContact CB-CE2 4.46Å; I11-F13 HydrophobicContact CG2-CD2 3.73Å; I11-F13 HydrophobicContact CG2-CE2 3.66Å; I11-F13 HydrophobicContact CG2-CG 4.42Å; I11-F13 HydrophobicContact CG2-CZ 4.3Å; I11-F13 PolarHBondContact O-N 3Å; F13-L15 VanDerWaalsContact C-N 3.28Å; F13-L15 PolarHBondContact O-N 3.02Å
14	V	67.1	Low	69.7	Low	124 Å²	124	124 Å²	124	75%	0.752	69%	0.692	S	S	*	*			trans	-70.4	95.7	164.6	-173.3	0	0	0	0	105.5	H12 R16	H12-V14 VanDerWaalsContact C-N 3.27Å; H12-V14 PolarHBondContact O-N 2.94Å; V14-R16 VanDerWaalsContact C-N 3.27Å; V14-R16 PolarHBondContact O-N 2.87Å
15	L	64.8	Low	71.9	Confident	162 Å²	162	122.8 Å²	122.8	85%	0.848	67%	0.67	S	S	*	*			trans	-57.9	99.1	163.1	-85.8	157.1	0	0	0	106.1	F13 D17	F13-L15 VanDerWaalsContact C-N 3.28Å; F13-L15 PolarHBondContact O-N 3.02Å; L15-D17 PolarHBondContact O-N 2.86Å
16	R	60.8	Low	73.9	Confident	232 Å²	232	117.8 Å²	117.8	88%	0.875	65%	0.648	S	S	*	*			trans	-57.8	111.3	163	-95.9	-175.8	171.8	-166.2	-1.9	105.4	V14 A18	V14-R16 VanDerWaalsContact C-N 3.27Å; V14-R16 PolarHBondContact O-N 2.87Å; R16-A18 PolarHBondContact O-N 2.92Å
17	D	62.9	Low	75.9	Confident	161 Å²	161	113.2 Å²	113.2	86%	0.861	62%	0.624	S	S	*	*			trans	-57.9	104.6	175.4	-135.1	-5.3	0	0	0	107.1	L15 Q19	L15-D17 PolarHBondContact O-N 2.86Å; D17-Q19 VanDerWaalsContact C-N 3.27Å; D17-Q19 PolarHBondContact O-N 2.94Å
18	A	65.6	Low	77.7	Confident	93 Å²	93	112.7 Å²	112.7	77%	0.769	63%	0.63	S	S	*	*			trans	-73.3	92.5	174	0	0	0	0	0	105.8	R16 A20	R16-A18 PolarHBondContact O-N 2.92Å; A18-A20 PolarHBondContact O-N 2.7Å
19	Q	71.1	Confident	79.4	Confident	120 Å²	120	117 Å²	117	56%	0.561	63%	0.63	S	S	*	*			trans	-62.2	104	179.1	-174.3	176.8	-16.4	0	0	108.7	D17 S45	D17-Q19 VanDerWaalsContact C-N 3.27Å; D17-Q19 PolarHBondContact O-N 2.94Å; Q19-S45 PolarHBondContact NE2-OG 3.13Å
20	A	84.5	Confident	81.3	Confident	76 Å²	76	112.4 Å²	112.4	63%	0.628	61%	0.609	S	S	*	*			trans	-65.2	141.9	175.6	0	0	0	0	0	109.7	A18	A18-A20 PolarHBondContact O-N 2.7Å
21	Q	92.4	Very high	83	Confident	86 Å²	86	116.9 Å²	116.9	40%	0.402	63%	0.627	S	S	.	*			trans	-68.6	137.1	169.1	-60.4	-166.8	24.4	0	0	109.2	S45 Y46 L112	Q21-S45 VanDerWaalsContact CA-O 3.32Å; Q21-S45 WeakPolarHBondContact CA-O 3.32Å; Q21-Y46 VanDerWaalsContact CD-CE2 3.46Å; Q21-Y46 HydrophobicContact CG-CD2 3.43Å; Q21-Y46 VanDerWaalsContact CG-CD2 3.43Å; Q21-Y46 HydrophobicContact CG-CE2 3.72Å; Q21-Y46 HydrophobicContact CG-CG 4.06Å; Q21-Y46 VanDerWaalsContact NE2-CZ 3.29Å; Q21-L112 HydrophobicContact CB-CD2 3.8Å; Q21-L112 HydrophobicContact CG-CD2 4.43Å
22	S	96.5	Very high	84.4	Confident	55 Å²	55	113.3 Å²	113.3	39%	0.385	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-142.7	154.9	176.2	73.5	0	0	0	0	112.9	Y44 S45	S22-Y44 CarbonylContact O-C 3.57Å; S22-Y44 WeakPolarHBondContact O-CA 3.29Å; S22-S45 PolarHBondContact N-O 3.08Å; S22-S45 PolarHBondContact O-N 2.68Å; S22-S45 VanDerWaalsContact OG-CB 3.25Å; S22-S45 WeakPolarHBondContact OG-CB 3.3Å
23	V	98.1	Very high	86.1	Confident	49 Å²	49	109.5 Å²	109.5	30%	0.297	60%	0.604	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.7	140.4	170.3	177.5	0	0	0	0	108.2	K43 C110 L112	V23-K43 CarbonylContact C-O 3.56Å; V23-K43 WeakPolarHBondContact CA-O 3.27Å; V23-C110 HydrophobicContact CG1-CB 3.89Å; V23-L112 HydrophobicContact CG2-CB 3.34Å; V23-L112 HydrophobicContact CG2-CD2 4.46Å
24	T	98.2	Very high	87.7	Confident	76 Å²	76	106.5 Å²	106.5	47%	0.466	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.3	119.3	177.2	-56.7	0	0	0	0	109.8	K43	T24-K43 PolarHBondContact N-O 3.16Å; T24-K43 PolarHBondContact O-N 2.81Å
25	Q	98.6	Very high	89.2	Confident	69 Å²	69	102.8 Å²	102.8	32%	0.322	58%	0.579	S	S	.	*			trans	-107.4	101.7	168.6	-70.5	-178.5	-108.9	0	0	108.1	D27 Y108 C110	Q25-D27 VanDerWaalsContact C-N 3.31Å; Q25-D27 PolarHBondContact O-N 3.26Å; Q25-Y108 PolarHBondContact NE2-O 2.97Å; Q25-C110 HydrophobicContact CG-CB 4.03Å
26	P	97.9	Very high	90.8	Very high	61 Å²	61	96.9 Å²	96.9	40%	0.396	55%	0.554	S	S	.	*			trans	-72.8	-21.8	-171.2	28.2	-36.6	0	0	0	113.8	R41	P26-R41 HydrophobicContact CG-CB 3.72Å; P26-R41 VanDerWaalsContact CG-NH2 3.34Å
27	D	97.9	Very high	92.6	Very high	61 Å²	61	90.3 Å²	90.3	33%	0.326	54%	0.544	S	S	.	.			trans	-100.6	104.9	-179.9	-55.3	-60.5	0	0	0	109.9	Q25 R29 V30 R41	Q25-D27 VanDerWaalsContact C-N 3.31Å; Q25-D27 PolarHBondContact O-N 3.26Å; D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 3.26Å; D27-V30 HydrophobicContact CB-CG2 3.7Å; D27-R41 IonicContact OD1-CZ 2.79Å; D27-R41 IonicContact OD1-NE 3.2Å; D27-R41 IonicContact OD1-NH2 2.7Å; D27-R41 PolarHBondContact OD1-NH2 2.81Å; D27-R41 IonicContact OD2-CZ 3.26Å; D27-R41 IonicContact OD2-NE 2.8Å; D27-R41 PolarHBondContact OD2-NE 3.1Å; D27-R41 IonicContact OD2-NH2 2.92Å; D27-R41 PolarHBondContact OD2-NH2 3.28Å
28	A	97.3	Very high	94.3	Very high	105 Å²	105	83.5 Å²	83.5	87%	0.868	51%	0.507	S	S	*	.	S	Bend	trans	-69.7	-27.5	177.6	0	0	0	0	0	112.6
29	R	97.9	Very high	95.8	Very high	231 Å²	231	83 Å²	83	87%	0.872	49%	0.489	S	S	*	.			trans	-145.6	135.4	178.2	-66	-176.2	178.9	162.5	-0.2	109.3	D27	D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 3.26Å
30	V	98.3	Very high	97.1	Very high	66 Å²	66	78.3 Å²	78.3	40%	0.4	47%	0.468	S	S	.	.			trans	-126.8	126.8	173.3	179.8	0	0	0	0	107.5	D27 L38 L40	D27-V30 HydrophobicContact CB-CG2 3.7Å; V30-L38 HydrophobicContact CG1-CD1 3.75Å; V30-L40 HydrophobicContact CB-CD2 4Å; V30-L40 HydrophobicContact CG1-CD2 4.36Å; V30-L40 HydrophobicContact CG2-CD2 3.68Å
31	T	98	Very high	97.8	Very high	143 Å²	143	79.5 Å²	79.5	88%	0.877	46%	0.456	S	S	*	.			trans	-113.4	127.5	173.8	-56.5	0	0	0	0	107.9
32	V	97.8	Very high	98.1	Very high	56 Å²	56	75.4 Å²	75.4	34%	0.339	44%	0.437	S	S	.	.			trans	-138.9	143.1	-175.7	58.6	0	0	0	0	108.6	A36 L38 V100	V32-A36 HydrophobicContact CG2-CB 3.75Å; V32-L38 HydrophobicContact CG1-CD1 4.27Å; V32-V100 HydrophobicContact CB-CG2 4.47Å; V32-V100 HydrophobicContact CG1-CG1 4.36Å; V32-V100 HydrophobicContact CG1-CG2 3.76Å; V32-V100 HydrophobicContact CG2-CG2 3.9Å
33	S	98.1	Very high	98.2	Very high	95 Å²	95	76.8 Å²	76.8	66%	0.664	44%	0.436	S	S	*	.			trans	-75.2	144.2	175.2	-60.4	0	0	0	0	110.6	G35 A36 V100	S33-G35 PolarHBondContact O-N 2.92Å; S33-A36 VanDerWaalsContact O-CB 3.28Å; S33-A36 WeakPolarHBondContact O-CB 3.28Å; S33-A36 PolarHBondContact O-N 2.81Å; S33-A36 VanDerWaalsContact O-N 3.08Å; S33-V100 VanDerWaalsContact O-CG2 3.31Å; S33-V100 WeakPolarHBondContact O-CG2 3.39Å
34	E	98.1	Very high	98.2	Very high	115 Å²	115	75.2 Å²	75.2	54%	0.537	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	139.1	171.8	-178.3	158.6	-119.6	0	0	111.1	A36 H101 W102	E34-A36 VanDerWaalsContact C-N 3.27Å; E34-A36 PolarHBondContact O-N 2.8Å; E34-H101 WeakPolarHBondContact OE1-CA 3.25Å; E34-H101 IonicContact OE1-CD2 2.94Å; E34-H101 PolarHBondContact OE1-CD2 2.88Å; E34-H101 IonicContact OE1-CG 3.45Å; E34-H101 IonicContact OE1-NE2 3.62Å; E34-W102 VanDerWaalsContact OE1-CD1 3.27Å; E34-W102 PolarHBondContact OE1-N 2.86Å
35	G	98.2	Very high	98.1	Very high	46 Å²	46	73.5 Å²	73.5	47%	0.474	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	-17.5	-174.8	0	0	0	0	0	115.2	S33 S99 V100	S33-G35 PolarHBondContact O-N 2.92Å; G35-S99 WeakPolarHBondContact CA-OG 3.41Å; G35-S99 PolarHBondContact O-OG 3.3Å; G35-V100 PolarHBondContact N-O 3.32Å
36	A	98.5	Very high	97.9	Very high	39 Å²	39	73.7 Å²	73.7	32%	0.322	41%	0.414	S	S	.	.	S	Bend	trans	-80.4	160.3	177.9	0	0	0	0	0	112.1	V32 S33 E34 V100	V32-A36 HydrophobicContact CG2-CB 3.75Å; S33-A36 VanDerWaalsContact O-CB 3.28Å; S33-A36 WeakPolarHBondContact O-CB 3.28Å; S33-A36 PolarHBondContact O-N 2.81Å; S33-A36 VanDerWaalsContact O-N 3.08Å; E34-A36 VanDerWaalsContact C-N 3.27Å; E34-A36 PolarHBondContact O-N 2.8Å; A36-V100 VanDerWaalsContact O-CG2 3.3Å; A36-V100 WeakPolarHBondContact O-CG2 3.31Å; A36-V100 PolarHBondContact O-N 3.02Å
37	S	98.3	Very high	97.5	Very high	94 Å²	94	75.5 Å²	75.5	66%	0.657	43%	0.429	S	S	*	.			trans	-76.6	142.3	174.2	61.7	0	0	0	0	111.7	K97 A98	S37-K97 WeakPolarHBondContact CA-O 3.49Å; S37-A98 VanDerWaalsContact CA-O 3.3Å; S37-A98 WeakPolarHBondContact CA-O 3.18Å
38	L	98.3	Very high	97.1	Very high	17 Å²	17	73.9 Å²	73.9	9%	0.089	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141	176	174	67	0	0	0	110.7	V30 V32 L40 F82 R96 K97 V100	V30-L38 HydrophobicContact CG1-CD1 3.75Å; V32-L38 HydrophobicContact CG1-CD1 4.27Å; L38-L40 HydrophobicContact CD1-CD2 3.74Å; L38-L40 HydrophobicContact CD1-CG 4.22Å; L38-L40 HydrophobicContact CD2-CD2 4.49Å; L38-L40 HydrophobicContact CD2-CG 4.26Å; L38-L40 HydrophobicContact CG-CD2 4.31Å; L38-L40 HydrophobicContact CG-CG 4.24Å; L38-F82 HydrophobicContact CD2-CE1 4.23Å; L38-R96 VanDerWaalsContact O-CA 3.29Å; L38-R96 WeakPolarHBondContact O-CA 3.38Å; L38-K97 HydrophobicContact CB-CB 4.44Å; L38-K97 PolarHBondContact N-O 2.85Å; L38-K97 PolarHBondContact O-N 2.79Å; L38-V100 HydrophobicContact CB-CG1 3.44Å; L38-V100 VanDerWaalsContact CB-CG1 3.44Å; L38-V100 HydrophobicContact CD2-CG1 3.92Å; L38-V100 HydrophobicContact CG-CG1 4.29Å
39	Q	98.5	Very high	97	Very high	84 Å²	84	73.7 Å²	73.7	39%	0.393	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	122	163	-174.7	179	-90.1	0	0	109.9	H94 L95 R96	Q39-H94 HydrophobicContact CG-CB 4.29Å; Q39-L95 CarbonylContact C-O 3.5Å; Q39-L95 VanDerWaalsContact CA-O 3.27Å; Q39-L95 WeakPolarHBondContact CA-O 3.1Å; Q39-R96 HydrophobicContact CB-CG 4.34Å; Q39-R96 HydrophobicContact CG-CG 4.01Å
40	L	98.7	Very high	96.9	Very high	21 Å²	21	62.9 Å²	62.9	11%	0.11	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	126.4	170.7	-56.9	-176.6	0	0	0	109.7	V30 L38 W54 H94 L95 Y108	V30-L40 HydrophobicContact CB-CD2 4Å; V30-L40 HydrophobicContact CG1-CD2 4.36Å; V30-L40 HydrophobicContact CG2-CD2 3.68Å; L38-L40 HydrophobicContact CD1-CD2 3.74Å; L38-L40 HydrophobicContact CD1-CG 4.22Å; L38-L40 HydrophobicContact CD2-CD2 4.49Å; L38-L40 HydrophobicContact CD2-CG 4.26Å; L38-L40 HydrophobicContact CG-CD2 4.31Å; L38-L40 HydrophobicContact CG-CG 4.24Å; L40-W54 HydrophobicContact CB-CH2 3.8Å; L40-W54 HydrophobicContact CB-CZ2 4.36Å; L40-W54 HydrophobicContact CB-CZ3 4.41Å; L40-W54 HydrophobicContact CD1-CZ3 4.35Å; L40-H94 WeakPolarHBondContact O-CA 3.44Å; L40-L95 HydrophobicContact CB-CB 4.25Å; L40-L95 HydrophobicContact CD1-CD2 4.16Å; L40-L95 PolarHBondContact N-O 2.78Å; L40-L95 PolarHBondContact O-N 2.83Å; L40-Y108 HydrophobicContact CD1-CD1 4.27Å; L40-Y108 HydrophobicContact CD1-CD2 3.82Å; L40-Y108 HydrophobicContact CD1-CG 3.62Å
41	R	98.7	Very high	96.9	Very high	101 Å²	101	64.6 Å²	64.6	38%	0.381	37%	0.374	S	S	.	.			trans	-83.6	136.6	-177	-65	-178.6	-63.5	141.1	-6.2	110.6	P26 D27	P26-R41 HydrophobicContact CG-CB 3.72Å; P26-R41 VanDerWaalsContact CG-NH2 3.34Å; D27-R41 IonicContact OD1-CZ 2.79Å; D27-R41 IonicContact OD1-NE 3.2Å; D27-R41 IonicContact OD1-NH2 2.7Å; D27-R41 PolarHBondContact OD1-NH2 2.81Å; D27-R41 IonicContact OD2-CZ 3.26Å; D27-R41 IonicContact OD2-NE 2.8Å; D27-R41 PolarHBondContact OD2-NE 3.1Å; D27-R41 IonicContact OD2-NH2 2.92Å; D27-R41 PolarHBondContact OD2-NH2 3.28Å
42	C	98.7	Very high	96.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.332	C	S	.	.			trans	-139.7	127.2	170.2	173.9	0	0	0	0	109.4	W54 S92 F93 H94 C110	C42-W54 HydrophobicContact CB-CH2 4.13Å; C42-W54 HydrophobicContact CB-CZ2 3.49Å; C42-W54 VanDerWaalsContact CB-CZ2 3.49Å; C42-S92 WeakPolarHBondContact O-CA 3.39Å; C42-S92 WeakPolarHBondContact O-CB 3.28Å; C42-F93 WeakPolarHBondContact CB-O 3.14Å; C42-F93 PolarHBondContact O-N 3.2Å; C42-F93 VanDerWaalsContact O-N 3.11Å; C42-H94 PolarHBondContact N-ND1 3.28Å; C42-H94 VanDerWaalsContact N-ND1 3.13Å; C42-H94 PolarHBondContact O-CE1 3.17Å; C42-H94 PolarHBondContact O-ND1 3.2Å; C42-H94 VanDerWaalsContact O-ND1 3.08Å; C42-C110 HydrophobicContact CB-CB 3.52Å; C42-C110 WeakPolarHBondContact CB-SG 3.3Å; C42-C110 WeakPolarHBondContact SG-CB 3.47Å; C42-C110 CovalentContact SG-SG 2.02Å; C42-C110 PolarHBondContact SG-SG 3.41Å
43	K	98.5	Very high	96.9	Very high	84 Å²	84	56.3 Å²	56.3	37%	0.365	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	146.9	170.7	-70	-75.1	178.1	174	0	108.7	V23 T24 N90 S91	V23-K43 CarbonylContact C-O 3.56Å; V23-K43 WeakPolarHBondContact CA-O 3.27Å; T24-K43 PolarHBondContact N-O 3.16Å; T24-K43 PolarHBondContact O-N 2.81Å; K43-N90 WeakPolarHBondContact CD-O 3Å; K43-N90 PolarHBondContact NZ-O 3.16Å; K43-S91 CarbonylContact C-O 3.53Å; K43-S91 VanDerWaalsContact CA-O 3.3Å; K43-S91 WeakPolarHBondContact CA-O 3.39Å; K43-S91 WeakPolarHBondContact CD-O 3.46Å
44	Y	97.5	Very high	97	Very high	15 Å²	15	51.8 Å²	51.8	6%	0.059	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	157.7	174.5	71.9	-94.4	0	0	0	110.9	S22 P50 L52 F86 S91 L112	S22-Y44 CarbonylContact O-C 3.57Å; S22-Y44 WeakPolarHBondContact O-CA 3.29Å; Y44-P50 HydrophobicContact CD2-CB 4.35Å; Y44-P50 HydrophobicContact CE1-CG 4.46Å; Y44-P50 HydrophobicContact CE2-CB 4.02Å; Y44-P50 HydrophobicContact CE2-CG 3.85Å; Y44-L52 HydrophobicContact CD1-CD1 3.77Å; Y44-L52 HydrophobicContact CD1-CD2 3.97Å; Y44-L52 HydrophobicContact CE1-CD1 3.66Å; Y44-L52 HydrophobicContact CG-CD2 4.19Å; Y44-F86 HydrophobicContact CE1-CE2 4.2Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.42Å; Y44-S91 VanDerWaalsContact CD1-C 3.46Å; Y44-S91 WeakPolarHBondContact CD1-O 3.47Å; Y44-S91 PolarHBondContact N-O 2.82Å; Y44-S91 WeakPolarHBondContact O-CB 3.03Å; Y44-L112 HydrophobicContact CD2-CD1 4.49Å
45	S	96.1	Very high	97	Very high	41 Å²	41	49.7 Å²	49.7	29%	0.287	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	108.3	168.4	-174.6	0	0	0	0	108	Q19 Q21 S22	Q19-S45 PolarHBondContact NE2-OG 3.13Å; Q21-S45 VanDerWaalsContact CA-O 3.32Å; Q21-S45 WeakPolarHBondContact CA-O 3.32Å; S22-S45 PolarHBondContact N-O 3.08Å; S22-S45 PolarHBondContact O-N 2.68Å; S22-S45 VanDerWaalsContact OG-CB 3.25Å; S22-S45 WeakPolarHBondContact OG-CB 3.3Å
46	Y	94.5	Very high	97	Very high	73 Å²	73	47.7 Å²	47.7	29%	0.286	26%	0.256	S	S	.	.			trans	-157.2	132.5	174	-174.8	-145.6	0	0	0	110.2	Q21 P50 L112	Q21-Y46 VanDerWaalsContact CD-CE2 3.46Å; Q21-Y46 HydrophobicContact CG-CD2 3.43Å; Q21-Y46 VanDerWaalsContact CG-CD2 3.43Å; Q21-Y46 HydrophobicContact CG-CE2 3.72Å; Q21-Y46 HydrophobicContact CG-CG 4.06Å; Q21-Y46 VanDerWaalsContact NE2-CZ 3.29Å; Y46-P50 HydrophobicContact CD1-CB 4.02Å; Y46-L112 HydrophobicContact CD1-CD1 4.07Å; Y46-L112 HydrophobicContact CG-CD2 4.33Å
47	S	88.9	Confident	97	Very high	99 Å²	99	49.3 Å²	49.3	69%	0.692	26%	0.257	S	S	*	.	S	Bend	trans	-82.3	-16	179.8	56.6	0	0	0	0	113.5
48	G	91.4	Very high	97	Very high	27 Å²	27	46.7 Å²	46.7	28%	0.278	23%	0.233	S	C	.	.	S	Bend	trans	-84.9	-157.5	-178.9	0	0	0	0	0	114.2	P50	G48-P50 VanDerWaalsContact O-CD 3.29Å; G48-P50 WeakPolarHBondContact O-CD 3.47Å
49	T	94	Very high	96.9	Very high	100 Å²	100	50.2 Å²	50.2	61%	0.613	26%	0.257	S	S	*	.			trans	-90.4	104.1	169.9	-59.9	0	0	0	0	108	Y51	T49-Y51 HydrophobicContact CG2-CE1 4.34Å
50	P	96	Very high	96.8	Very high	5 Å²	5	58 Å²	58	3%	0.032	28%	0.282	C	S	.	.			trans	-74	135.2	-175.5	31.6	-36.2	0	0	0	111.2	Y44 Y46 G48 L52 F86 L112	Y44-P50 HydrophobicContact CD2-CB 4.35Å; Y44-P50 HydrophobicContact CE1-CG 4.46Å; Y44-P50 HydrophobicContact CE2-CB 4.02Å; Y44-P50 HydrophobicContact CE2-CG 3.85Å; Y46-P50 HydrophobicContact CD1-CB 4.02Å; G48-P50 VanDerWaalsContact O-CD 3.29Å; G48-P50 WeakPolarHBondContact O-CD 3.47Å; P50-L52 HydrophobicContact CB-CD1 4.24Å; P50-L52 HydrophobicContact CB-CD2 4.49Å; P50-L52 HydrophobicContact CB-CG 4.13Å; P50-L52 HydrophobicContact CG-CD1 4.32Å; P50-F86 HydrophobicContact CG-CE2 3.75Å; P50-F86 HydrophobicContact CG-CZ 4.18Å; P50-L112 HydrophobicContact CB-CD1 3.35Å
51	Y	97.6	Very high	96.7	Very high	102 Å²	102	61.6 Å²	61.6	40%	0.4	30%	0.299	S	S	.	.			trans	-97.6	124.5	159.8	-58.8	-26.4	0	0	0	108.5	T49 F53 Y70 L112 S113	T49-Y51 HydrophobicContact CG2-CE1 4.34Å; Y51-F53 WeakPolarHBondContact O-CE2 3.03Å; Y51-Y70 AromaticContact CD1-CD1 3.76Å; Y51-Y70 HydrophobicContact CD1-CD1 3.76Å; Y51-Y70 HydrophobicContact CD1-CG 4.48Å; Y51-Y70 HydrophobicContact CD2-CD1 4.06Å; Y51-Y70 HydrophobicContact CD2-CE1 4.37Å; Y51-Y70 HydrophobicContact CE1-CD1 4.22Å; Y51-Y70 HydrophobicContact CE2-CD1 4.49Å; Y51-Y70 AromaticContact CG-CD1 3.66Å; Y51-Y70 HydrophobicContact CG-CD1 3.66Å; Y51-Y70 HydrophobicContact CG-CE1 4.26Å; Y51-L112 CarbonylContact O-C 3.52Å; Y51-L112 WeakPolarHBondContact O-CA 3.41Å; Y51-S113 PolarHBondContact N-O 2.99Å; Y51-S113 PolarHBondContact O-N 2.76Å
52	L	98.4	Very high	96.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	139.8	-170.6	-67.1	162.7	0	0	0	110.5	Y44 P50 K68 Y69 F86 F93 V111 L112	Y44-L52 HydrophobicContact CD1-CD1 3.77Å; Y44-L52 HydrophobicContact CD1-CD2 3.97Å; Y44-L52 HydrophobicContact CE1-CD1 3.66Å; Y44-L52 HydrophobicContact CG-CD2 4.19Å; P50-L52 HydrophobicContact CB-CD1 4.24Å; P50-L52 HydrophobicContact CB-CD2 4.49Å; P50-L52 HydrophobicContact CB-CG 4.13Å; P50-L52 HydrophobicContact CG-CD1 4.32Å; L52-K68 CarbonylContact O-C 3.46Å; L52-K68 VanDerWaalsContact O-CA 3.3Å; L52-K68 WeakPolarHBondContact O-CA 3.35Å; L52-Y69 PolarHBondContact N-O 3.47Å; L52-Y69 PolarHBondContact O-N 3.33Å; L52-F86 HydrophobicContact CD1-CD2 3.67Å; L52-F86 HydrophobicContact CD1-CE2 4.02Å; L52-F93 HydrophobicContact CB-CB 4.34Å; L52-F93 HydrophobicContact CB-CD1 3.52Å; L52-F93 HydrophobicContact CB-CD2 4.38Å; L52-F93 HydrophobicContact CB-CE1 3.73Å; L52-F93 HydrophobicContact CB-CG 3.86Å; L52-F93 HydrophobicContact CB-CZ 4.27Å; L52-F93 HydrophobicContact CD1-CB 3.81Å; L52-F93 HydrophobicContact CD1-CD2 4.38Å; L52-F93 HydrophobicContact CD1-CG 4.03Å; L52-F93 HydrophobicContact CG-CB 4.47Å; L52-F93 HydrophobicContact CG-CD1 4.49Å; L52-F93 HydrophobicContact CG-CG 4.47Å; L52-V111 WeakPolarHBondContact CA-O 3.31Å; L52-L112 HydrophobicContact CD2-CB 4.08Å; L52-L112 HydrophobicContact CD2-CD1 3.81Å; L52-L112 HydrophobicContact CG-CD1 4.49Å
53	F	98.5	Very high	96.6	Very high	25 Å²	25	64.1 Å²	64.1	11%	0.11	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	147.5	-175.3	-48	-99	0	0	0	109.6	Y51 Y55 L65 K68 Y70 C110 V111	Y51-F53 WeakPolarHBondContact O-CE2 3.03Å; F53-Y55 HydrophobicContact CB-CD2 4.04Å; F53-Y55 HydrophobicContact CB-CE2 3.83Å; F53-Y55 HydrophobicContact CG-CE2 4.32Å; F53-L65 HydrophobicContact CB-CD1 4.31Å; F53-L65 HydrophobicContact CD1-CD1 4.05Å; F53-K68 HydrophobicContact CD1-CB 3.52Å; F53-K68 HydrophobicContact CE1-CB 3.88Å; F53-K68 HydrophobicContact CE1-CD 4.3Å; F53-K68 HydrophobicContact CG-CB 4.41Å; F53-Y70 AromaticContact CE1-CE1 3.99Å; F53-Y70 HydrophobicContact CE1-CE1 3.99Å; F53-Y70 AromaticContact CZ-CE1 3.85Å; F53-Y70 HydrophobicContact CZ-CE1 3.85Å; F53-C110 WeakPolarHBondContact O-CA 3.32Å; F53-V111 HydrophobicContact CB-CB 4.28Å; F53-V111 HydrophobicContact CD2-CB 4.46Å; F53-V111 PolarHBondContact N-O 3.46Å; F53-V111 PolarHBondContact O-N 3.43Å
54	W	98.7	Very high	96.6	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.5	158.5	-81.8	95.1	0	0	0	109	L40 C42 L66 L67 F93 L95 F109 C110	L40-W54 HydrophobicContact CB-CH2 3.8Å; L40-W54 HydrophobicContact CB-CZ2 4.36Å; L40-W54 HydrophobicContact CB-CZ3 4.41Å; L40-W54 HydrophobicContact CD1-CZ3 4.35Å; C42-W54 HydrophobicContact CB-CH2 4.13Å; C42-W54 HydrophobicContact CB-CZ2 3.49Å; C42-W54 VanDerWaalsContact CB-CZ2 3.49Å; W54-L66 HydrophobicContact CB-CB 4.28Å; W54-L66 HydrophobicContact CB-CD2 4.33Å; W54-L66 WeakPolarHBondContact O-CA 3.42Å; W54-L66 VanDerWaalsContact O-CB 3.29Å; W54-L66 WeakPolarHBondContact O-CB 3.5Å; W54-L66 PolarHBondContact O-N 2.92Å; W54-L67 HydrophobicContact CB-CD1 3.91Å; W54-L67 HydrophobicContact CB-CG 4.18Å; W54-L67 HydrophobicContact CG-CD1 4.2Å; W54-L67 PolarHBondContact N-O 3.33Å; W54-L67 PolarHBondContact O-N 2.72Å; W54-F93 AromaticContact CD1-CD1 3.52Å; W54-F93 AromaticContact CD1-CE1 3.51Å; W54-F93 AromaticContact NE1-CD1 3.54Å; W54-F93 PolarHBondContact NE1-O 3.02Å; W54-L95 HydrophobicContact CB-CD1 4.21Å; W54-L95 HydrophobicContact CD2-CB 3.84Å; W54-L95 HydrophobicContact CD2-CD1 4.35Å; W54-L95 HydrophobicContact CD2-CD2 4.04Å; W54-L95 HydrophobicContact CD2-CG 4.32Å; W54-L95 VanDerWaalsContact CE2-CB 3.49Å; W54-L95 HydrophobicContact CE3-CB 4.42Å; W54-L95 HydrophobicContact CE3-CD2 4.06Å; W54-L95 HydrophobicContact CG-CB 4.2Å; W54-L95 HydrophobicContact CG-CD1 3.9Å; W54-L95 HydrophobicContact CG-CD2 4.31Å; W54-L95 HydrophobicContact CG-CG 4.38Å; W54-L95 HydrophobicContact CH2-CB 4.3Å; W54-L95 HydrophobicContact CZ2-CB 3.72Å; W54-F109 CarbonylContact C-O 3.52Å; W54-F109 WeakPolarHBondContact CA-O 3.15Å; W54-F109 VanDerWaalsContact CE3-C 3.5Å; W54-C110 HydrophobicContact CD2-CB 4.18Å; W54-C110 HydrophobicContact CE3-CB 4.18Å; W54-C110 HydrophobicContact CH2-CB 3.84Å; W54-C110 HydrophobicContact CZ2-CB 3.81Å; W54-C110 HydrophobicContact CZ3-CB 4Å
55	Y	98.5	Very high	96.6	Very high	71 Å²	71	66.8 Å²	66.8	28%	0.278	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	149.7	169.3	-81.3	-99.1	0	0	0	109.6	F53 L63 Q64 L65 Y108 F109 V111	F53-Y55 HydrophobicContact CB-CD2 4.04Å; F53-Y55 HydrophobicContact CB-CE2 3.83Å; F53-Y55 HydrophobicContact CG-CE2 4.32Å; Y55-L63 HydrophobicContact CD1-CB 3.95Å; Y55-Q64 CarbonylContact C-O 3.58Å; Y55-Q64 VanDerWaalsContact CA-O 3.25Å; Y55-Q64 WeakPolarHBondContact CA-O 3.3Å; Y55-Q64 VanDerWaalsContact CD1-C 3.43Å; Y55-Q64 VanDerWaalsContact CD1-O 3.31Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.42Å; Y55-L65 HydrophobicContact CD1-CB 4.44Å; Y55-L65 HydrophobicContact CD2-CD1 4.33Å; Y55-L65 HydrophobicContact CE1-CB 3.99Å; Y55-L65 HydrophobicContact CE1-CD1 4.43Å; Y55-L65 HydrophobicContact CE2-CD1 3.84Å; Y55-Y108 CarbonylContact O-C 3.53Å; Y55-Y108 WeakPolarHBondContact O-CA 3.43Å; Y55-F109 PolarHBondContact N-O 3.3Å; Y55-F109 PolarHBondContact O-N 3.46Å; Y55-V111 HydrophobicContact CD2-CG2 4.12Å
56	V	98.5	Very high	96.7	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.5	174	63.3	0	0	0	0	109.5	Y58 Q64 L66 A106 V107 Y108	V56-Y58 HydrophobicContact CG1-CE2 3.96Å; V56-Y58 HydrophobicContact CG2-CE1 4.28Å; V56-Y58 HydrophobicContact CG2-CE2 4.08Å; V56-Q64 HydrophobicContact CG1-CB 4.04Å; V56-Q64 PolarHBondContact N-O 2.86Å; V56-Q64 PolarHBondContact O-N 3.42Å; V56-L66 HydrophobicContact CG1-CB 4.42Å; V56-L66 HydrophobicContact CG1-CD1 4.41Å; V56-A106 HydrophobicContact CG2-CB 3.45Å; V56-A106 VanDerWaalsContact CG2-CB 3.45Å; V56-V107 CarbonylContact C-O 3.56Å; V56-V107 WeakPolarHBondContact CA-O 3.42Å; V56-Y108 HydrophobicContact CB-CD1 4.1Å; V56-Y108 HydrophobicContact CB-CE1 4Å; V56-Y108 HydrophobicContact CG2-CD1 4.02Å; V56-Y108 HydrophobicContact CG2-CE1 3.64Å; V56-Y108 HydrophobicContact CG2-CE2 4.34Å
57	Q	98.4	Very high	96.9	Very high	73 Å²	73	62.2 Å²	62.2	34%	0.341	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	108.1	174.5	-168.9	179.4	17.7	0	0	110.2	Q61 L63 A106 V107 F109	Q57-Q61 WeakPolarHBondContact CG-O 3.38Å; Q57-Q61 PolarHBondContact NE2-O 3.43Å; Q57-L63 HydrophobicContact CB-CD2 4.02Å; Q57-A106 WeakPolarHBondContact O-CB 3.46Å; Q57-V107 HydrophobicContact CB-CB 4.42Å; Q57-V107 PolarHBondContact N-O 3.34Å; Q57-V107 PolarHBondContact O-N 3.18Å; Q57-F109 HydrophobicContact CB-CE2 4Å
58	Y	97.7	Very high	97.3	Very high	39 Å²	39	61.8 Å²	61.8	15%	0.153	31%	0.311	C	S	.	.			trans	-78.1	157.8	171.8	-62.4	-74.8	0	0	0	111.3	V56 R60 Q61 S103 A106	V56-Y58 HydrophobicContact CG1-CE2 3.96Å; V56-Y58 HydrophobicContact CG2-CE1 4.28Å; V56-Y58 HydrophobicContact CG2-CE2 4.08Å; Y58-R60 PolarHBondContact O-N 2.92Å; Y58-Q61 PolarHBondContact O-N 3.33Å; Y58-S103 WeakPolarHBondContact CE1-O 3.3Å; Y58-A106 HydrophobicContact CD1-CB 3.69Å; Y58-A106 HydrophobicContact CE1-CB 3.84Å; Y58-A106 HydrophobicContact CG-CB 4.38Å
59	P	97.3	Very high	97.7	Very high	91 Å²	91	61.7 Å²	61.7	59%	0.591	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	125.4	177.8	-27.9	35.5	0	0	0	112.6	Q61	P59-Q61 PolarHBondContact O-N 2.75Å
60	R	96.2	Very high	97.9	Very high	248 Å²	248	61.5 Å²	61.5	94%	0.936	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	20.6	-179.3	-54.2	-176.4	-67	-88.1	-0.8	115.2	Y58	Y58-R60 PolarHBondContact O-N 2.92Å
61	Q	97.2	Very high	97.9	Very high	96 Å²	96	65.8 Å²	65.8	45%	0.449	32%	0.321	S	S	.	.			trans	-113.7	161.2	174.5	-59.4	-175.8	31.1	0	0	111	Q57 Y58 P59	Q57-Q61 WeakPolarHBondContact CG-O 3.38Å; Q57-Q61 PolarHBondContact NE2-O 3.43Å; Y58-Q61 PolarHBondContact O-N 3.33Å; P59-Q61 PolarHBondContact O-N 2.75Å
62	G	97.1	Very high	97.8	Very high	51 Å²	51	63.8 Å²	63.8	53%	0.526	33%	0.331	S	S	.	.			trans	-72	171.6	170.7	0	0	0	0	0	112.4
63	L	97.6	Very high	97.8	Very high	104 Å²	104	69 Å²	69	55%	0.545	36%	0.359	S	S	.	.			trans	-65.1	131.5	172.1	-73	168.8	0	0	0	110.4	Y55 Q57 F109	Y55-L63 HydrophobicContact CD1-CB 3.95Å; Q57-L63 HydrophobicContact CB-CD2 4.02Å; L63-F109 HydrophobicContact CD2-CD2 3.48Å; L63-F109 VanDerWaalsContact CD2-CD2 3.48Å; L63-F109 HydrophobicContact CD2-CE2 3.7Å; L63-F109 HydrophobicContact CD2-CG 4.37Å
64	Q	98.1	Very high	97.7	Very high	80 Å²	80	70.5 Å²	70.5	37%	0.374	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.3	176.3	-62.5	173.7	19.1	0	0	109.3	Y55 V56 L66	Y55-Q64 CarbonylContact C-O 3.58Å; Y55-Q64 VanDerWaalsContact CA-O 3.25Å; Y55-Q64 WeakPolarHBondContact CA-O 3.3Å; Y55-Q64 VanDerWaalsContact CD1-C 3.43Å; Y55-Q64 VanDerWaalsContact CD1-O 3.31Å; Y55-Q64 WeakPolarHBondContact CD1-O 3.42Å; V56-Q64 HydrophobicContact CG1-CB 4.04Å; V56-Q64 PolarHBondContact N-O 2.86Å; V56-Q64 PolarHBondContact O-N 3.42Å; Q64-L66 PolarHBondContact O-N 2.75Å
65	L	98.1	Very high	97.7	Very high	75 Å²	75	73.1 Å²	73.1	39%	0.393	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	124.5	175.1	177.8	68.1	0	0	0	109.4	F53 Y55 L67 K68	F53-L65 HydrophobicContact CB-CD1 4.31Å; F53-L65 HydrophobicContact CD1-CD1 4.05Å; Y55-L65 HydrophobicContact CD1-CB 4.44Å; Y55-L65 HydrophobicContact CD2-CD1 4.33Å; Y55-L65 HydrophobicContact CE1-CB 3.99Å; Y55-L65 HydrophobicContact CE1-CD1 4.43Å; Y55-L65 HydrophobicContact CE2-CD1 3.84Å; L65-L67 WeakPolarHBondContact CD1-O 3.38Å; L65-K68 HydrophobicContact CD1-CB 4.45Å; L65-K68 HydrophobicContact CD2-CD 4.12Å
66	L	98.2	Very high	97.7	Very high	9 Å²	9	70.8 Å²	70.8	5%	0.047	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-48.9	177.9	-174.5	66.2	0	0	0	111.7	W54 V56 Q64 G78 V79 F82 L95 Y108	W54-L66 HydrophobicContact CB-CB 4.28Å; W54-L66 HydrophobicContact CB-CD2 4.33Å; W54-L66 WeakPolarHBondContact O-CA 3.42Å; W54-L66 VanDerWaalsContact O-CB 3.29Å; W54-L66 WeakPolarHBondContact O-CB 3.5Å; W54-L66 PolarHBondContact O-N 2.92Å; V56-L66 HydrophobicContact CG1-CB 4.42Å; V56-L66 HydrophobicContact CG1-CD1 4.41Å; Q64-L66 PolarHBondContact O-N 2.75Å; L66-G78 WeakPolarHBondContact O-CA 3.38Å; L66-V79 HydrophobicContact CD1-CB 4.27Å; L66-V79 PolarHBondContact O-N 3Å; L66-F82 HydrophobicContact CD1-CB 4.29Å; L66-F82 HydrophobicContact CD1-CD2 3.83Å; L66-F82 HydrophobicContact CD1-CG 4.2Å; L66-F82 HydrophobicContact CD2-CB 4.02Å; L66-F82 HydrophobicContact CD2-CD1 4.07Å; L66-F82 HydrophobicContact CD2-CD2 4.11Å; L66-F82 HydrophobicContact CD2-CG 3.8Å; L66-F82 HydrophobicContact CG-CB 4.19Å; L66-F82 HydrophobicContact CG-CD2 4.44Å; L66-F82 HydrophobicContact CG-CG 4.33Å; L66-L95 HydrophobicContact CD2-CD1 3.86Å; L66-L95 HydrophobicContact CD2-CD2 3.69Å; L66-L95 HydrophobicContact CD2-CG 4.42Å; L66-Y108 HydrophobicContact CD2-CD1 3.98Å; L66-Y108 HydrophobicContact CD2-CE1 3.8Å
67	L	98.6	Very high	97.7	Very high	8 Å²	8	76.4 Å²	76.4	4%	0.042	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	167	175.6	55.2	75.3	0	0	0	111.4	W54 L65 V76 F82 A84 F93 L95	W54-L67 HydrophobicContact CB-CD1 3.91Å; W54-L67 HydrophobicContact CB-CG 4.18Å; W54-L67 HydrophobicContact CG-CD1 4.2Å; W54-L67 PolarHBondContact N-O 3.33Å; W54-L67 PolarHBondContact O-N 2.72Å; L65-L67 WeakPolarHBondContact CD1-O 3.38Å; L67-V76 HydrophobicContact CD1-CG2 3.89Å; L67-V76 HydrophobicContact CD2-CG2 4.46Å; L67-F82 HydrophobicContact CD2-CB 4.5Å; L67-A84 HydrophobicContact CD1-CB 3.65Å; L67-A84 HydrophobicContact CD2-CB 3.98Å; L67-A84 HydrophobicContact CG-CB 4.48Å; L67-F93 HydrophobicContact CD1-CE1 3.67Å; L67-F93 HydrophobicContact CD1-CZ 3.61Å; L67-L95 HydrophobicContact CD2-CD1 3.69Å; L67-L95 HydrophobicContact CG-CD1 4.19Å
68	K	98.2	Very high	97.6	Very high	91 Å²	91	74 Å²	74	40%	0.396	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	151.1	-178.3	62.9	-175.1	-177.9	174.7	0	112.5	L52 F53 L65 Y70	L52-K68 CarbonylContact O-C 3.46Å; L52-K68 VanDerWaalsContact O-CA 3.3Å; L52-K68 WeakPolarHBondContact O-CA 3.35Å; F53-K68 HydrophobicContact CD1-CB 3.52Å; F53-K68 HydrophobicContact CE1-CB 3.88Å; F53-K68 HydrophobicContact CE1-CD 4.3Å; F53-K68 HydrophobicContact CG-CB 4.41Å; L65-K68 HydrophobicContact CD1-CB 4.45Å; L65-K68 HydrophobicContact CD2-CD 4.12Å; K68-Y70 HydrophobicContact CD-CD2 4.43Å; K68-Y70 HydrophobicContact CD-CE2 3.49Å; K68-Y70 VanDerWaalsContact CD-CE2 3.49Å; K68-Y70 WeakPolarHBondContact CD-OH 3.45Å; K68-Y70 VanDerWaalsContact CE-CE2 3.44Å; K68-Y70 HydrophobicContact CG-CE2 4.11Å; K68-Y70 PolarHBondContact NZ-OH 3.02Å; K68-Y70 VanDerWaalsContact NZ-OH 3.15Å
69	Y	98.5	Very high	97.5	Very high	24 Å²	24	76 Å²	76	9%	0.094	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	128.7	172.3	172.6	-93.9	0	0	0	109.8	L52 D73 V76 F86 F93	L52-Y69 PolarHBondContact N-O 3.47Å; L52-Y69 PolarHBondContact O-N 3.33Å; Y69-D73 WeakPolarHBondContact CE2-O 3.26Å; Y69-V76 HydrophobicContact CD2-CG1 3.93Å; Y69-F86 HydrophobicContact CD1-CB 3.88Å; Y69-F86 HydrophobicContact CD1-CD1 4.18Å; Y69-F86 AromaticContact CD1-CD2 3.91Å; Y69-F86 HydrophobicContact CD1-CD2 3.91Å; Y69-F86 HydrophobicContact CD1-CE2 4.49Å; Y69-F86 AromaticContact CD1-CG 3.7Å; Y69-F86 HydrophobicContact CD1-CG 3.7Å; Y69-F86 HydrophobicContact CD2-CB 3.96Å; Y69-F86 HydrophobicContact CD2-CG 4.44Å; Y69-F86 HydrophobicContact CE1-CB 3.9Å; Y69-F86 AromaticContact CE1-CD1 3.34Å; Y69-F86 HydrophobicContact CE1-CD1 3.34Å; Y69-F86 AromaticContact CE1-CD2 3.7Å; Y69-F86 HydrophobicContact CE1-CD2 3.7Å; Y69-F86 AromaticContact CE1-CE1 3.67Å; Y69-F86 HydrophobicContact CE1-CE1 3.67Å; Y69-F86 HydrophobicContact CE1-CE2 4Å; Y69-F86 AromaticContact CE1-CG 3.34Å; Y69-F86 HydrophobicContact CE1-CG 3.34Å; Y69-F86 AromaticContact CE1-CZ 3.97Å; Y69-F86 HydrophobicContact CE1-CZ 3.97Å; Y69-F86 HydrophobicContact CE2-CB 3.99Å; Y69-F86 AromaticContact CE2-CD1 3.94Å; Y69-F86 HydrophobicContact CE2-CD1 3.94Å; Y69-F86 HydrophobicContact CE2-CG 4.14Å; Y69-F86 HydrophobicContact CG-CB 3.91Å; Y69-F86 HydrophobicContact CG-CG 4.24Å; Y69-F86 AromaticContact CZ-CD1 3.2Å; Y69-F86 AromaticContact CZ-CE1 3.69Å; Y69-F86 AromaticContact CZ-CG 3.58Å; Y69-F86 WeakPolarHBondContact OH-CD1 3.44Å; Y69-F86 VanDerWaalsContact OH-CE1 3.28Å; Y69-F86 WeakPolarHBondContact OH-CE1 3.47Å; Y69-F93 HydrophobicContact CG-CE2 4.44Å
70	Y	97.6	Very high	97.4	Very high	97 Å²	97	76.3 Å²	76.3	38%	0.38	41%	0.414	S	S	.	.	S	Bend	trans	-114.4	-49.1	173.1	-62.3	-66.2	0	0	0	111.6	Y51 F53 K68	Y51-Y70 AromaticContact CD1-CD1 3.76Å; Y51-Y70 HydrophobicContact CD1-CD1 3.76Å; Y51-Y70 HydrophobicContact CD1-CG 4.48Å; Y51-Y70 HydrophobicContact CD2-CD1 4.06Å; Y51-Y70 HydrophobicContact CD2-CE1 4.37Å; Y51-Y70 HydrophobicContact CE1-CD1 4.22Å; Y51-Y70 HydrophobicContact CE2-CD1 4.49Å; Y51-Y70 AromaticContact CG-CD1 3.66Å; Y51-Y70 HydrophobicContact CG-CD1 3.66Å; Y51-Y70 HydrophobicContact CG-CE1 4.26Å; F53-Y70 AromaticContact CE1-CE1 3.99Å; F53-Y70 HydrophobicContact CE1-CE1 3.99Å; F53-Y70 AromaticContact CZ-CE1 3.85Å; F53-Y70 HydrophobicContact CZ-CE1 3.85Å; K68-Y70 HydrophobicContact CD-CD2 4.43Å; K68-Y70 HydrophobicContact CD-CE2 3.49Å; K68-Y70 VanDerWaalsContact CD-CE2 3.49Å; K68-Y70 WeakPolarHBondContact CD-OH 3.45Å; K68-Y70 VanDerWaalsContact CE-CE2 3.44Å; K68-Y70 HydrophobicContact CG-CE2 4.11Å; K68-Y70 PolarHBondContact NZ-OH 3.02Å; K68-Y70 VanDerWaalsContact NZ-OH 3.15Å
71	S	96.4	Very high	97.4	Very high	95 Å²	95	66.8 Å²	66.8	66%	0.664	39%	0.393	S	S	*	.	S	Bend	trans	-170	168.2	178.2	59.1	0	0	0	0	109.3
72	G	96.6	Very high	97.5	Very high	60 Å²	60	62.2 Å²	62.2	62%	0.619	37%	0.372	S	S	*	.	S	Bend	trans	99.5	-130.8	174.3	0	0	0	0	0	112.6
73	D	97.2	Very high	97.6	Very high	108 Å²	108	63 Å²	63	58%	0.578	36%	0.362	S	S	*	.			trans	-58.8	122.2	179.8	-166	-28.4	0	0	0	110	Y69 V75	Y69-D73 WeakPolarHBondContact CE2-O 3.26Å; D73-V75 PolarHBondContact O-N 3.02Å; D73-V75 PolarHBondContact OD1-N 2.94Å
74	P	97.7	Very high	97.6	Very high	57 Å²	57	58 Å²	58	37%	0.37	34%	0.336	S	S	.	.	S	Bend	trans	-65.2	-24.8	178.9	26.9	-35.3	0	0	0	112.5	E85 F86	P74-E85 CarbonylContact O-C 3.52Å; P74-E85 WeakPolarHBondContact O-CA 3.42Å; P74-F86 HydrophobicContact CB-CB 4.4Å; P74-F86 WeakPolarHBondContact CB-O 3.46Å; P74-F86 PolarHBondContact O-N 2.91Å
75	V	98.2	Very high	97.6	Very high	55 Å²	55	58.1 Å²	58.1	33%	0.333	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	112.6	178.2	-177	0	0	0	0	109.4	D73 A84 E85	D73-V75 PolarHBondContact O-N 3.02Å; D73-V75 PolarHBondContact OD1-N 2.94Å; V75-A84 WeakPolarHBondContact CA-O 3.24Å; V75-E85 HydrophobicContact CG2-CB 4.43Å; V75-E85 HydrophobicContact CG2-CG 4.11Å
76	V	98.3	Very high	97.7	Very high	23 Å²	23	55.8 Å²	55.8	14%	0.139	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.8	178.3	-62.5	0	0	0	0	111.1	L67 Y69 E83 A84 F93	L67-V76 HydrophobicContact CD1-CG2 3.89Å; L67-V76 HydrophobicContact CD2-CG2 4.46Å; Y69-V76 HydrophobicContact CD2-CG1 3.93Å; V76-E83 CarbonylContact O-C 3.59Å; V76-E83 VanDerWaalsContact O-CA 3.24Å; V76-E83 WeakPolarHBondContact O-CA 3.39Å; V76-A84 HydrophobicContact CG2-CB 4.2Å; V76-A84 WeakPolarHBondContact CG2-O 3.47Å; V76-A84 PolarHBondContact N-O 2.79Å; V76-A84 PolarHBondContact O-N 2.02Å; V76-F93 HydrophobicContact CG2-CE2 3.83Å; V76-F93 HydrophobicContact CG2-CZ 3.62Å
77	Q	98.1	Very high	97.6	Very high	120 Å²	120	56.2 Å²	56.2	56%	0.561	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	141.7	176.6	-62.4	-63	-34.4	0	0	110.3	E83	Q77-E83 PolarHBondContact NE2-OE2 2.9Å
78	G	96.9	Very high	97.5	Very high	23 Å²	23	62.9 Å²	62.9	24%	0.237	36%	0.356	C	S	.	.			trans	-119.1	-172.7	178.2	0	0	0	0	0	112.8	L66 F82	L66-G78 WeakPolarHBondContact O-CA 3.38Å; G78-F82 WeakPolarHBondContact CA-O 3.37Å; G78-F82 PolarHBondContact N-O 3.41Å
79	V	95.1	Very high	97.4	Very high	81 Å²	81	63.7 Å²	63.7	49%	0.491	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-66.5	147.5	176.6	-175.9	0	0	0	0	110.1	L66 G81 F82	L66-V79 HydrophobicContact CD1-CB 4.27Å; L66-V79 PolarHBondContact O-N 3Å; V79-G81 VanDerWaalsContact C-N 3.31Å; V79-G81 PolarHBondContact O-N 2.86Å; V79-F82 WeakPolarHBondContact O-CD2 3.35Å; V79-F82 PolarHBondContact O-N 3.32Å
80	N	95.2	Very high	97.3	Very high	97 Å²	97	67 Å²	67	52%	0.519	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	57.3	34	174	-58.9	-23.3	0	0	0	115.3	F82 K97	N80-F82 HydrophobicContact CB-CD2 4.46Å; N80-F82 PolarHBondContact O-N 3.24Å; N80-K97 VanDerWaalsContact O-CE 3.31Å; N80-K97 WeakPolarHBondContact O-CE 3.31Å; N80-K97 PolarHBondContact O-NZ 2.85Å
81	G	97.2	Very high	97.3	Very high	49 Å²	49	64.5 Å²	64.5	51%	0.505	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	70.8	18.6	175.9	0	0	0	0	0	114.2	V79	V79-G81 VanDerWaalsContact C-N 3.31Å; V79-G81 PolarHBondContact O-N 2.86Å
82	F	98.6	Very high	97.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	142.7	164.5	-81.4	-79.7	0	0	0	109.8	L38 L66 L67 G78 V79 N80 L95 R96 K97 D104 Y108	L38-F82 HydrophobicContact CD2-CE1 4.23Å; L66-F82 HydrophobicContact CD1-CB 4.29Å; L66-F82 HydrophobicContact CD1-CD2 3.83Å; L66-F82 HydrophobicContact CD1-CG 4.2Å; L66-F82 HydrophobicContact CD2-CB 4.02Å; L66-F82 HydrophobicContact CD2-CD1 4.07Å; L66-F82 HydrophobicContact CD2-CD2 4.11Å; L66-F82 HydrophobicContact CD2-CG 3.8Å; L66-F82 HydrophobicContact CG-CB 4.19Å; L66-F82 HydrophobicContact CG-CD2 4.44Å; L66-F82 HydrophobicContact CG-CG 4.33Å; L67-F82 HydrophobicContact CD2-CB 4.5Å; G78-F82 WeakPolarHBondContact CA-O 3.37Å; G78-F82 PolarHBondContact N-O 3.41Å; V79-F82 WeakPolarHBondContact O-CD2 3.35Å; V79-F82 PolarHBondContact O-N 3.32Å; N80-F82 HydrophobicContact CB-CD2 4.46Å; N80-F82 PolarHBondContact O-N 3.24Å; F82-L95 HydrophobicContact CB-CD1 4.15Å; F82-L95 HydrophobicContact CD1-CD1 3.96Å; F82-L95 HydrophobicContact CD1-CD2 3.69Å; F82-L95 HydrophobicContact CD1-CG 3.73Å; F82-L95 HydrophobicContact CE1-CD2 3.88Å; F82-L95 HydrophobicContact CE1-CG 4.3Å; F82-L95 HydrophobicContact CG-CD1 4.45Å; F82-R96 WeakPolarHBondContact CA-O 3.29Å; F82-K97 HydrophobicContact CD1-CB 3.84Å; F82-K97 HydrophobicContact CD1-CD 4.13Å; F82-K97 HydrophobicContact CD2-CD 3.95Å; F82-K97 HydrophobicContact CE1-CB 3.78Å; F82-K97 HydrophobicContact CE1-CD 3.8Å; F82-K97 HydrophobicContact CE1-CG 4.43Å; F82-K97 HydrophobicContact CE2-CD 3.58Å; F82-K97 HydrophobicContact CG-CB 4.48Å; F82-K97 HydrophobicContact CG-CD 4.21Å; F82-K97 HydrophobicContact CZ-CB 4.35Å; F82-K97 HydrophobicContact CZ-CD 3.49Å; F82-K97 VanDerWaalsContact CZ-CD 3.49Å; F82-D104 HydrophobicContact CZ-CB 4.26Å; F82-Y108 AromaticContact CE1-CE1 3.98Å; F82-Y108 HydrophobicContact CE1-CE1 3.98Å; F82-Y108 HydrophobicContact CE2-CE1 4.3Å; F82-Y108 AromaticContact CZ-CE1 3.77Å; F82-Y108 HydrophobicContact CZ-CE1 3.77Å; F82-Y108 AromaticContact CZ-CZ 3.72Å; F82-Y108 WeakPolarHBondContact CZ-OH 3.45Å
83	E	98.5	Very high	97.5	Very high	66 Å²	66	57.4 Å²	57.4	31%	0.308	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.3	173.1	67.9	179.7	-164.2	0	0	110.5	V76 Q77 L95 R96	V76-E83 CarbonylContact O-C 3.59Å; V76-E83 VanDerWaalsContact O-CA 3.24Å; V76-E83 WeakPolarHBondContact O-CA 3.39Å; Q77-E83 PolarHBondContact NE2-OE2 2.9Å; E83-L95 CarbonylContact O-C 3.53Å; E83-L95 WeakPolarHBondContact O-CA 3.47Å; E83-R96 HydrophobicContact CG-CB 3.87Å; E83-R96 PolarHBondContact N-O 2.81Å; E83-R96 PolarHBondContact O-N 3.11Å
84	A	98.7	Very high	97.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.9	170.3	0	0	0	0	0	111.3	L67 V75 V76 F93 H94 L95	L67-A84 HydrophobicContact CD1-CB 3.65Å; L67-A84 HydrophobicContact CD2-CB 3.98Å; L67-A84 HydrophobicContact CG-CB 4.48Å; V75-A84 WeakPolarHBondContact CA-O 3.24Å; V76-A84 HydrophobicContact CG2-CB 4.2Å; V76-A84 WeakPolarHBondContact CG2-O 3.47Å; V76-A84 PolarHBondContact N-O 2.79Å; V76-A84 PolarHBondContact O-N 2.02Å; A84-F93 HydrophobicContact CB-CD1 4.32Å; A84-F93 HydrophobicContact CB-CD2 3.96Å; A84-F93 HydrophobicContact CB-CE1 3.99Å; A84-F93 HydrophobicContact CB-CE2 3.58Å; A84-F93 HydrophobicContact CB-CG 4.33Å; A84-F93 HydrophobicContact CB-CZ 3.61Å; A84-H94 VanDerWaalsContact CA-O 3.26Å; A84-H94 WeakPolarHBondContact CA-O 3.42Å; A84-H94 WeakPolarHBondContact CB-O 3.49Å; A84-L95 HydrophobicContact CB-CD1 4.36Å
85	E	98.4	Very high	97.6	Very high	81 Å²	81	51.2 Å²	51.2	38%	0.379	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.5	-179.8	-175.1	-177.5	174.9	0	0	110.2	P74 V75 F93 H94 R96	P74-E85 CarbonylContact O-C 3.52Å; P74-E85 WeakPolarHBondContact O-CA 3.42Å; V75-E85 HydrophobicContact CG2-CB 4.43Å; V75-E85 HydrophobicContact CG2-CG 4.11Å; E85-F93 WeakPolarHBondContact O-CA 3.4Å; E85-H94 PolarHBondContact N-O 3Å; E85-R96 IonicContact OE2-NH1 2.76Å; E85-R96 PolarHBondContact OE2-NH1 2.95Å
86	F	98.4	Very high	97.7	Very high	26 Å²	26	52.7 Å²	52.7	11%	0.114	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.8	170.5	170.1	-112.1	0	0	0	110.4	Y44 P50 L52 Y69 P74 K88 F93	Y44-F86 HydrophobicContact CE1-CE2 4.2Å; Y44-F86 WeakPolarHBondContact OH-CE2 3.42Å; P50-F86 HydrophobicContact CG-CE2 3.75Å; P50-F86 HydrophobicContact CG-CZ 4.18Å; L52-F86 HydrophobicContact CD1-CD2 3.67Å; L52-F86 HydrophobicContact CD1-CE2 4.02Å; Y69-F86 HydrophobicContact CD1-CB 3.88Å; Y69-F86 HydrophobicContact CD1-CD1 4.18Å; Y69-F86 AromaticContact CD1-CD2 3.91Å; Y69-F86 HydrophobicContact CD1-CD2 3.91Å; Y69-F86 HydrophobicContact CD1-CE2 4.49Å; Y69-F86 AromaticContact CD1-CG 3.7Å; Y69-F86 HydrophobicContact CD1-CG 3.7Å; Y69-F86 HydrophobicContact CD2-CB 3.96Å; Y69-F86 HydrophobicContact CD2-CG 4.44Å; Y69-F86 HydrophobicContact CE1-CB 3.9Å; Y69-F86 AromaticContact CE1-CD1 3.34Å; Y69-F86 HydrophobicContact CE1-CD1 3.34Å; Y69-F86 AromaticContact CE1-CD2 3.7Å; Y69-F86 HydrophobicContact CE1-CD2 3.7Å; Y69-F86 AromaticContact CE1-CE1 3.67Å; Y69-F86 HydrophobicContact CE1-CE1 3.67Å; Y69-F86 HydrophobicContact CE1-CE2 4Å; Y69-F86 AromaticContact CE1-CG 3.34Å; Y69-F86 HydrophobicContact CE1-CG 3.34Å; Y69-F86 AromaticContact CE1-CZ 3.97Å; Y69-F86 HydrophobicContact CE1-CZ 3.97Å; Y69-F86 HydrophobicContact CE2-CB 3.99Å; Y69-F86 AromaticContact CE2-CD1 3.94Å; Y69-F86 HydrophobicContact CE2-CD1 3.94Å; Y69-F86 HydrophobicContact CE2-CG 4.14Å; Y69-F86 HydrophobicContact CG-CB 3.91Å; Y69-F86 HydrophobicContact CG-CG 4.24Å; Y69-F86 AromaticContact CZ-CD1 3.2Å; Y69-F86 AromaticContact CZ-CE1 3.69Å; Y69-F86 AromaticContact CZ-CG 3.58Å; Y69-F86 WeakPolarHBondContact OH-CD1 3.44Å; Y69-F86 VanDerWaalsContact OH-CE1 3.28Å; Y69-F86 WeakPolarHBondContact OH-CE1 3.47Å; P74-F86 HydrophobicContact CB-CB 4.4Å; P74-F86 WeakPolarHBondContact CB-O 3.46Å; P74-F86 PolarHBondContact O-N 2.91Å; F86-K88 HydrophobicContact CE1-CB 4.04Å; F86-K88 HydrophobicContact CE2-CB 4.48Å; F86-K88 HydrophobicContact CZ-CB 3.71Å; F86-K88 HydrophobicContact CZ-CG 4.32Å; F86-F93 HydrophobicContact CB-CD2 4.09Å; F86-F93 HydrophobicContact CB-CE2 4.28Å
87	S	98	Very high	97.7	Very high	18 Å²	18	52.6 Å²	52.6	13%	0.126	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	104.9	174.1	-177.1	0	0	0	0	110.4	S89 N90 S91 S92	S87-S89 PolarHBondContact OG-OG 3.39Å; S87-N90 WeakPolarHBondContact OG-CB 3.48Å; S87-N90 PolarHBondContact OG-N 2.98Å; S87-N90 PolarHBondContact OG-ND2 2.91Å; S87-N90 VanDerWaalsContact OG-ND2 3.1Å; S87-S91 WeakPolarHBondContact O-CA 3.4Å; S87-S91 PolarHBondContact O-N 3.37Å; S87-S92 WeakPolarHBondContact CB-OG 3.32Å; S87-S92 PolarHBondContact N-O 2.87Å; S87-S92 PolarHBondContact O-N 2.93Å
88	K	95.6	Very high	97.7	Very high	149 Å²	149	51 Å²	51	65%	0.648	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-40.6	176.2	-170.1	174	-177.3	174.5	0	112.2	F86 N90 S91	F86-K88 HydrophobicContact CE1-CB 4.04Å; F86-K88 HydrophobicContact CE2-CB 4.48Å; F86-K88 HydrophobicContact CZ-CB 3.71Å; F86-K88 HydrophobicContact CZ-CG 4.32Å; K88-N90 VanDerWaalsContact C-N 3.29Å; K88-N90 PolarHBondContact O-N 2.83Å; K88-S91 PolarHBondContact O-N 2.83Å
89	S	96	Very high	97.7	Very high	108 Å²	108	53.2 Å²	53.2	76%	0.755	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-33.5	-179	52.1	0	0	0	0	112.8	S87	S87-S89 PolarHBondContact OG-OG 3.39Å
90	N	97.3	Very high	97.9	Very high	92 Å²	92	49.8 Å²	49.8	49%	0.492	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	2.1	179.7	-64.9	-48.7	0	0	0	113.2	K43 S87 K88 S92	K43-N90 WeakPolarHBondContact CD-O 3Å; K43-N90 PolarHBondContact NZ-O 3.16Å; S87-N90 WeakPolarHBondContact OG-CB 3.48Å; S87-N90 PolarHBondContact OG-N 2.98Å; S87-N90 PolarHBondContact OG-ND2 2.91Å; S87-N90 VanDerWaalsContact OG-ND2 3.1Å; K88-N90 VanDerWaalsContact C-N 3.29Å; K88-N90 PolarHBondContact O-N 2.83Å; N90-S92 WeakPolarHBondContact CB-OG 3.3Å; N90-S92 PolarHBondContact O-N 2.85Å
91	S	97.4	Very high	98	Very high	45 Å²	45	49.3 Å²	49.3	32%	0.315	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.2	52	-169.9	-52.1	0	0	0	0	112.7	K43 Y44 S87 K88	K43-S91 CarbonylContact C-O 3.53Å; K43-S91 VanDerWaalsContact CA-O 3.3Å; K43-S91 WeakPolarHBondContact CA-O 3.39Å; K43-S91 WeakPolarHBondContact CD-O 3.46Å; Y44-S91 VanDerWaalsContact CD1-C 3.46Å; Y44-S91 WeakPolarHBondContact CD1-O 3.47Å; Y44-S91 PolarHBondContact N-O 2.82Å; Y44-S91 WeakPolarHBondContact O-CB 3.03Å; S87-S91 WeakPolarHBondContact O-CA 3.4Å; S87-S91 PolarHBondContact O-N 3.37Å; K88-S91 PolarHBondContact O-N 2.83Å
92	S	98.5	Very high	98	Very high	7 Å²	7	55.4 Å²	55.4	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.2	-173.2	58	0	0	0	0	114	C42 S87 N90 H94	C42-S92 WeakPolarHBondContact O-CA 3.39Å; C42-S92 WeakPolarHBondContact O-CB 3.28Å; S87-S92 WeakPolarHBondContact CB-OG 3.32Å; S87-S92 PolarHBondContact N-O 2.87Å; S87-S92 PolarHBondContact O-N 2.93Å; N90-S92 WeakPolarHBondContact CB-OG 3.3Å; N90-S92 PolarHBondContact O-N 2.85Å; S92-H94 VanDerWaalsContact CB-CE1 3.42Å; S92-H94 WeakPolarHBondContact CB-CE1 3.39Å
93	F	98.7	Very high	97.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	66.8	174.5	-168.2	-127.5	0	0	0	110.5	C42 L52 W54 L67 Y69 V76 A84 E85 F86	C42-F93 WeakPolarHBondContact CB-O 3.14Å; C42-F93 PolarHBondContact O-N 3.2Å; C42-F93 VanDerWaalsContact O-N 3.11Å; L52-F93 HydrophobicContact CB-CB 4.34Å; L52-F93 HydrophobicContact CB-CD1 3.52Å; L52-F93 HydrophobicContact CB-CD2 4.38Å; L52-F93 HydrophobicContact CB-CE1 3.73Å; L52-F93 HydrophobicContact CB-CG 3.86Å; L52-F93 HydrophobicContact CB-CZ 4.27Å; L52-F93 HydrophobicContact CD1-CB 3.81Å; L52-F93 HydrophobicContact CD1-CD2 4.38Å; L52-F93 HydrophobicContact CD1-CG 4.03Å; L52-F93 HydrophobicContact CG-CB 4.47Å; L52-F93 HydrophobicContact CG-CD1 4.49Å; L52-F93 HydrophobicContact CG-CG 4.47Å; W54-F93 AromaticContact CD1-CD1 3.52Å; W54-F93 AromaticContact CD1-CE1 3.51Å; W54-F93 AromaticContact NE1-CD1 3.54Å; W54-F93 PolarHBondContact NE1-O 3.02Å; L67-F93 HydrophobicContact CD1-CE1 3.67Å; L67-F93 HydrophobicContact CD1-CZ 3.61Å; Y69-F93 HydrophobicContact CG-CE2 4.44Å; V76-F93 HydrophobicContact CG2-CE2 3.83Å; V76-F93 HydrophobicContact CG2-CZ 3.62Å; A84-F93 HydrophobicContact CB-CD1 4.32Å; A84-F93 HydrophobicContact CB-CD2 3.96Å; A84-F93 HydrophobicContact CB-CE1 3.99Å; A84-F93 HydrophobicContact CB-CE2 3.58Å; A84-F93 HydrophobicContact CB-CG 4.33Å; A84-F93 HydrophobicContact CB-CZ 3.61Å; E85-F93 WeakPolarHBondContact O-CA 3.4Å; F86-F93 HydrophobicContact CB-CD2 4.09Å; F86-F93 HydrophobicContact CB-CE2 4.28Å
94	H	98.7	Very high	97.9	Very high	33 Å²	33	55.2 Å²	55.2	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.9	-172.9	-61.5	-16.5	0	0	0	110.6	Q39 L40 C42 A84 E85 S92	Q39-H94 HydrophobicContact CG-CB 4.29Å; L40-H94 WeakPolarHBondContact O-CA 3.44Å; C42-H94 PolarHBondContact N-ND1 3.28Å; C42-H94 VanDerWaalsContact N-ND1 3.13Å; C42-H94 PolarHBondContact O-CE1 3.17Å; C42-H94 PolarHBondContact O-ND1 3.2Å; C42-H94 VanDerWaalsContact O-ND1 3.08Å; A84-H94 VanDerWaalsContact CA-O 3.26Å; A84-H94 WeakPolarHBondContact CA-O 3.42Å; A84-H94 WeakPolarHBondContact CB-O 3.49Å; E85-H94 PolarHBondContact N-O 3Å; S92-H94 VanDerWaalsContact CB-CE1 3.42Å; S92-H94 WeakPolarHBondContact CB-CE1 3.39Å
95	L	98.8	Very high	97.9	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	136	173.9	-172.4	72.3	0	0	0	109	Q39 L40 W54 L66 L67 F82 E83 A84 Y108	Q39-L95 CarbonylContact C-O 3.5Å; Q39-L95 VanDerWaalsContact CA-O 3.27Å; Q39-L95 WeakPolarHBondContact CA-O 3.1Å; L40-L95 HydrophobicContact CB-CB 4.25Å; L40-L95 HydrophobicContact CD1-CD2 4.16Å; L40-L95 PolarHBondContact N-O 2.78Å; L40-L95 PolarHBondContact O-N 2.83Å; W54-L95 HydrophobicContact CB-CD1 4.21Å; W54-L95 HydrophobicContact CD2-CB 3.84Å; W54-L95 HydrophobicContact CD2-CD1 4.35Å; W54-L95 HydrophobicContact CD2-CD2 4.04Å; W54-L95 HydrophobicContact CD2-CG 4.32Å; W54-L95 VanDerWaalsContact CE2-CB 3.49Å; W54-L95 HydrophobicContact CE3-CB 4.42Å; W54-L95 HydrophobicContact CE3-CD2 4.06Å; W54-L95 HydrophobicContact CG-CB 4.2Å; W54-L95 HydrophobicContact CG-CD1 3.9Å; W54-L95 HydrophobicContact CG-CD2 4.31Å; W54-L95 HydrophobicContact CG-CG 4.38Å; W54-L95 HydrophobicContact CH2-CB 4.3Å; W54-L95 HydrophobicContact CZ2-CB 3.72Å; L66-L95 HydrophobicContact CD2-CD1 3.86Å; L66-L95 HydrophobicContact CD2-CD2 3.69Å; L66-L95 HydrophobicContact CD2-CG 4.42Å; L67-L95 HydrophobicContact CD2-CD1 3.69Å; L67-L95 HydrophobicContact CG-CD1 4.19Å; F82-L95 HydrophobicContact CB-CD1 4.15Å; F82-L95 HydrophobicContact CD1-CD1 3.96Å; F82-L95 HydrophobicContact CD1-CD2 3.69Å; F82-L95 HydrophobicContact CD1-CG 3.73Å; F82-L95 HydrophobicContact CE1-CD2 3.88Å; F82-L95 HydrophobicContact CE1-CG 4.3Å; F82-L95 HydrophobicContact CG-CD1 4.45Å; E83-L95 CarbonylContact O-C 3.53Å; E83-L95 WeakPolarHBondContact O-CA 3.47Å; A84-L95 HydrophobicContact CB-CD1 4.36Å; L95-Y108 HydrophobicContact CD2-CD1 3.67Å; L95-Y108 HydrophobicContact CD2-CE1 4.08Å; L95-Y108 HydrophobicContact CD2-CG 4.43Å
96	R	98.7	Very high	97.8	Very high	86 Å²	86	57 Å²	57	33%	0.325	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.8	178.5	-68.7	177.8	170.9	153.4	2.2	110.8	L38 Q39 F82 E83 E85	L38-R96 VanDerWaalsContact O-CA 3.29Å; L38-R96 WeakPolarHBondContact O-CA 3.38Å; Q39-R96 HydrophobicContact CB-CG 4.34Å; Q39-R96 HydrophobicContact CG-CG 4.01Å; F82-R96 WeakPolarHBondContact CA-O 3.29Å; E83-R96 HydrophobicContact CG-CB 3.87Å; E83-R96 PolarHBondContact N-O 2.81Å; E83-R96 PolarHBondContact O-N 3.11Å; E85-R96 IonicContact OE2-NH1 2.76Å; E85-R96 PolarHBondContact OE2-NH1 2.95Å
97	K	98.6	Very high	97.8	Very high	21 Å²	21	59.5 Å²	59.5	9%	0.091	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	129.1	167.5	-179	160.9	179.7	157.3	0	109	S37 L38 N80 F82 S99 V100 D104	S37-K97 WeakPolarHBondContact CA-O 3.49Å; L38-K97 HydrophobicContact CB-CB 4.44Å; L38-K97 PolarHBondContact N-O 2.85Å; L38-K97 PolarHBondContact O-N 2.79Å; N80-K97 VanDerWaalsContact O-CE 3.31Å; N80-K97 WeakPolarHBondContact O-CE 3.31Å; N80-K97 PolarHBondContact O-NZ 2.85Å; F82-K97 HydrophobicContact CD1-CB 3.84Å; F82-K97 HydrophobicContact CD1-CD 4.13Å; F82-K97 HydrophobicContact CD2-CD 3.95Å; F82-K97 HydrophobicContact CE1-CB 3.78Å; F82-K97 HydrophobicContact CE1-CD 3.8Å; F82-K97 HydrophobicContact CE1-CG 4.43Å; F82-K97 HydrophobicContact CE2-CD 3.58Å; F82-K97 HydrophobicContact CG-CB 4.48Å; F82-K97 HydrophobicContact CG-CD 4.21Å; F82-K97 HydrophobicContact CZ-CB 4.35Å; F82-K97 HydrophobicContact CZ-CD 3.49Å; F82-K97 VanDerWaalsContact CZ-CD 3.49Å; K97-S99 WeakPolarHBondContact CE-O 3.45Å; K97-V100 HydrophobicContact CB-CG1 4.39Å; K97-V100 HydrophobicContact CD-CG1 4.29Å; K97-V100 HydrophobicContact CG-CG1 4.32Å; K97-D104 WeakPolarHBondContact CE-OD2 3.25Å; K97-D104 IonicContact NZ-OD1 3.94Å; K97-D104 PolarHBondContact NZ-OD1 3Å; K97-D104 IonicContact NZ-OD2 3.72Å; K97-D104 PolarHBondContact NZ-OD2 2.86Å
98	A	98.2	Very high	97.9	Very high	88 Å²	88	59.7 Å²	59.7	73%	0.727	33%	0.334	S	S	*	.	S	Bend	trans	-67	-38.2	-173.5	0	0	0	0	0	113.2	S37	S37-A98 VanDerWaalsContact CA-O 3.3Å; S37-A98 WeakPolarHBondContact CA-O 3.18Å
99	S	98.2	Very high	98	Very high	68 Å²	68	56.2 Å²	56.2	48%	0.476	32%	0.319	S	S	.	.	S	Bend	trans	-144.9	114.3	179.1	176.9	0	0	0	0	108.9	G35 K97	G35-S99 WeakPolarHBondContact CA-OG 3.41Å; G35-S99 PolarHBondContact O-OG 3.3Å; K97-S99 WeakPolarHBondContact CE-O 3.45Å
100	V	98.3	Very high	98.1	Very high	9 Å²	9	51.5 Å²	51.5	6%	0.055	29%	0.286	C	S	.	.			trans	-82.3	150.4	178.3	-67.6	0	0	0	0	112.1	V32 S33 G35 A36 L38 K97	V32-V100 HydrophobicContact CB-CG2 4.47Å; V32-V100 HydrophobicContact CG1-CG1 4.36Å; V32-V100 HydrophobicContact CG1-CG2 3.76Å; V32-V100 HydrophobicContact CG2-CG2 3.9Å; S33-V100 VanDerWaalsContact O-CG2 3.31Å; S33-V100 WeakPolarHBondContact O-CG2 3.39Å; G35-V100 PolarHBondContact N-O 3.32Å; A36-V100 VanDerWaalsContact O-CG2 3.3Å; A36-V100 WeakPolarHBondContact O-CG2 3.31Å; A36-V100 PolarHBondContact O-N 3.02Å; L38-V100 HydrophobicContact CB-CG1 3.44Å; L38-V100 VanDerWaalsContact CB-CG1 3.44Å; L38-V100 HydrophobicContact CD2-CG1 3.92Å; L38-V100 HydrophobicContact CG-CG1 4.29Å; K97-V100 HydrophobicContact CB-CG1 4.39Å; K97-V100 HydrophobicContact CD-CG1 4.29Å; K97-V100 HydrophobicContact CG-CG1 4.32Å
101	H	98	Very high	98.2	Very high	88 Å²	88	49.9 Å²	49.9	41%	0.407	28%	0.28	S	S	.	.			trans	-119.7	156.9	172.9	-176.6	-107	0	0	0	109.8	E34 S103 D104	E34-H101 WeakPolarHBondContact OE1-CA 3.25Å; E34-H101 IonicContact OE1-CD2 2.94Å; E34-H101 PolarHBondContact OE1-CD2 2.88Å; E34-H101 IonicContact OE1-CG 3.45Å; E34-H101 IonicContact OE1-NE2 3.62Å; H101-S103 WeakPolarHBondContact ND1-CB 3.36Å; H101-S103 PolarHBondContact ND1-N 3.01Å; H101-S103 PolarHBondContact ND1-OG 2.99Å; H101-S103 PolarHBondContact O-N 2.95Å; H101-D104 PolarHBondContact N-OD2 3.15Å; H101-D104 VanDerWaalsContact O-CB 3.32Å; H101-D104 WeakPolarHBondContact O-CB 3.19Å; H101-D104 PolarHBondContact O-N 2.87Å
102	W	96.8	Very high	98.2	Very high	176 Å²	176	48.8 Å²	48.8	67%	0.667	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-54.5	-29.7	-179.7	64.4	-97.9	0	0	0	113.2	E34 D104 S105	E34-W102 VanDerWaalsContact OE1-CD1 3.27Å; E34-W102 PolarHBondContact OE1-N 2.86Å; W102-D104 PolarHBondContact O-N 2.88Å; W102-S105 VanDerWaalsContact O-CB 3.3Å; W102-S105 WeakPolarHBondContact O-CB 3.43Å; W102-S105 PolarHBondContact O-N 2.88Å; W102-S105 VanDerWaalsContact O-N 3.16Å; W102-S105 PolarHBondContact O-OG 2.93Å
103	S	96.8	Very high	97.9	Very high	52 Å²	52	52.2 Å²	52.2	36%	0.364	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-67.4	-15.4	176.8	64.6	0	0	0	0	114.3	Y58 H101 S105	Y58-S103 WeakPolarHBondContact CE1-O 3.3Å; H101-S103 WeakPolarHBondContact ND1-CB 3.36Å; H101-S103 PolarHBondContact ND1-N 3.01Å; H101-S103 PolarHBondContact ND1-OG 2.99Å; H101-S103 PolarHBondContact O-N 2.95Å; S103-S105 PolarHBondContact O-N 2.97Å
104	D	97.9	Very high	97.9	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.059	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-78.8	0	173.9	-61.2	-46.5	0	0	0	112.3	F82 K97 H101 W102 A106 Y108	F82-D104 HydrophobicContact CZ-CB 4.26Å; K97-D104 WeakPolarHBondContact CE-OD2 3.25Å; K97-D104 IonicContact NZ-OD1 3.94Å; K97-D104 PolarHBondContact NZ-OD1 3Å; K97-D104 IonicContact NZ-OD2 3.72Å; K97-D104 PolarHBondContact NZ-OD2 2.86Å; H101-D104 PolarHBondContact N-OD2 3.15Å; H101-D104 VanDerWaalsContact O-CB 3.32Å; H101-D104 WeakPolarHBondContact O-CB 3.19Å; H101-D104 PolarHBondContact O-N 2.87Å; W102-D104 PolarHBondContact O-N 2.88Å; D104-A106 PolarHBondContact O-N 3.01Å; D104-Y108 WeakPolarHBondContact O-CE2 3.29Å; D104-Y108 PolarHBondContact O-OH 3.45Å
105	S	98	Very high	97.8	Very high	88 Å²	88	56 Å²	56	62%	0.615	32%	0.317	S	S	*	.			trans	-68.4	102.4	178.3	-59.3	0	0	0	0	111.1	W102 S103	W102-S105 VanDerWaalsContact O-CB 3.3Å; W102-S105 WeakPolarHBondContact O-CB 3.43Å; W102-S105 PolarHBondContact O-N 2.88Å; W102-S105 VanDerWaalsContact O-N 3.16Å; W102-S105 PolarHBondContact O-OG 2.93Å; S103-S105 PolarHBondContact O-N 2.97Å
106	A	98.2	Very high	97.8	Very high	31 Å²	31	59.1 Å²	59.1	26%	0.256	33%	0.334	S	S	.	.	S	Bend	trans	-156.5	175.7	-175.5	0	0	0	0	0	111.9	V56 Q57 Y58 D104 Y108	V56-A106 HydrophobicContact CG2-CB 3.45Å; V56-A106 VanDerWaalsContact CG2-CB 3.45Å; Q57-A106 WeakPolarHBondContact O-CB 3.46Å; Y58-A106 HydrophobicContact CD1-CB 3.69Å; Y58-A106 HydrophobicContact CE1-CB 3.84Å; Y58-A106 HydrophobicContact CG-CB 4.38Å; D104-A106 PolarHBondContact O-N 3.01Å; A106-Y108 HydrophobicContact CB-CD2 4.43Å; A106-Y108 HydrophobicContact CB-CE2 3.85Å
107	V	98.4	Very high	97.7	Very high	78 Å²	78	57.5 Å²	57.5	47%	0.473	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132	166.3	-173	0	0	0	0	108.7	V56 Q57 F109	V56-V107 CarbonylContact C-O 3.56Å; V56-V107 WeakPolarHBondContact CA-O 3.42Å; Q57-V107 HydrophobicContact CB-CB 4.42Å; Q57-V107 PolarHBondContact N-O 3.34Å; Q57-V107 PolarHBondContact O-N 3.18Å; V107-F109 HydrophobicContact CB-CE2 3.98Å; V107-F109 HydrophobicContact CB-CZ 4.32Å; V107-F109 HydrophobicContact CG1-CD2 4.19Å; V107-F109 HydrophobicContact CG1-CE1 4.11Å; V107-F109 HydrophobicContact CG1-CE2 3.48Å; V107-F109 VanDerWaalsContact CG1-CE2 3.48Å; V107-F109 HydrophobicContact CG1-CZ 3.43Å; V107-F109 VanDerWaalsContact CG1-CZ 3.43Å
108	Y	98.6	Very high	97.7	Very high	22 Å²	22	59.8 Å²	59.8	9%	0.086	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128	-178.4	-68.4	-97.5	0	0	0	110.2	Q25 L40 Y55 V56 L66 F82 L95 D104 A106	Q25-Y108 PolarHBondContact NE2-O 2.97Å; L40-Y108 HydrophobicContact CD1-CD1 4.27Å; L40-Y108 HydrophobicContact CD1-CD2 3.82Å; L40-Y108 HydrophobicContact CD1-CG 3.62Å; Y55-Y108 CarbonylContact O-C 3.53Å; Y55-Y108 WeakPolarHBondContact O-CA 3.43Å; V56-Y108 HydrophobicContact CB-CD1 4.1Å; V56-Y108 HydrophobicContact CB-CE1 4Å; V56-Y108 HydrophobicContact CG2-CD1 4.02Å; V56-Y108 HydrophobicContact CG2-CE1 3.64Å; V56-Y108 HydrophobicContact CG2-CE2 4.34Å; L66-Y108 HydrophobicContact CD2-CD1 3.98Å; L66-Y108 HydrophobicContact CD2-CE1 3.8Å; F82-Y108 AromaticContact CE1-CE1 3.98Å; F82-Y108 HydrophobicContact CE1-CE1 3.98Å; F82-Y108 HydrophobicContact CE2-CE1 4.3Å; F82-Y108 AromaticContact CZ-CE1 3.77Å; F82-Y108 HydrophobicContact CZ-CE1 3.77Å; F82-Y108 AromaticContact CZ-CZ 3.72Å; F82-Y108 WeakPolarHBondContact CZ-OH 3.45Å; L95-Y108 HydrophobicContact CD2-CD1 3.67Å; L95-Y108 HydrophobicContact CD2-CE1 4.08Å; L95-Y108 HydrophobicContact CD2-CG 4.43Å; D104-Y108 WeakPolarHBondContact O-CE2 3.29Å; D104-Y108 PolarHBondContact O-OH 3.45Å; A106-Y108 HydrophobicContact CB-CD2 4.43Å; A106-Y108 HydrophobicContact CB-CE2 3.85Å
109	F	98.6	Very high	97.6	Very high	77 Å²	77	57.9 Å²	57.9	34%	0.338	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.6	-177.5	-63.6	-84.6	0	0	0	110.3	W54 Y55 Q57 L63 V107	W54-F109 CarbonylContact C-O 3.52Å; W54-F109 WeakPolarHBondContact CA-O 3.15Å; W54-F109 VanDerWaalsContact CE3-C 3.5Å; Y55-F109 PolarHBondContact N-O 3.3Å; Y55-F109 PolarHBondContact O-N 3.46Å; Q57-F109 HydrophobicContact CB-CE2 4Å; L63-F109 HydrophobicContact CD2-CD2 3.48Å; L63-F109 VanDerWaalsContact CD2-CD2 3.48Å; L63-F109 HydrophobicContact CD2-CE2 3.7Å; L63-F109 HydrophobicContact CD2-CG 4.37Å; V107-F109 HydrophobicContact CB-CE2 3.98Å; V107-F109 HydrophobicContact CB-CZ 4.32Å; V107-F109 HydrophobicContact CG1-CD2 4.19Å; V107-F109 HydrophobicContact CG1-CE1 4.11Å; V107-F109 HydrophobicContact CG1-CE2 3.48Å; V107-F109 VanDerWaalsContact CG1-CE2 3.48Å; V107-F109 HydrophobicContact CG1-CZ 3.43Å; V107-F109 VanDerWaalsContact CG1-CZ 3.43Å
110	C	98.6	Very high	97.6	Very high	9 Å²	9	57.1 Å²	57.1	6%	0.061	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	133.7	166.6	-168.6	0	0	0	0	109	V23 Q25 C42 F53 W54	V23-C110 HydrophobicContact CG1-CB 3.89Å; Q25-C110 HydrophobicContact CG-CB 4.03Å; C42-C110 HydrophobicContact CB-CB 3.52Å; C42-C110 WeakPolarHBondContact CB-SG 3.3Å; C42-C110 WeakPolarHBondContact SG-CB 3.47Å; C42-C110 CovalentContact SG-SG 2.02Å; C42-C110 PolarHBondContact SG-SG 3.41Å; F53-C110 WeakPolarHBondContact O-CA 3.32Å; W54-C110 HydrophobicContact CD2-CB 4.18Å; W54-C110 HydrophobicContact CE3-CB 4.18Å; W54-C110 HydrophobicContact CH2-CB 3.84Å; W54-C110 HydrophobicContact CZ2-CB 3.81Å; W54-C110 HydrophobicContact CZ3-CB 4Å
111	V	98.1	Very high	97.5	Very high	58 Å²	58	60.8 Å²	60.8	35%	0.352	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.4	-176.4	-175.2	0	0	0	0	109.5	L52 F53 Y55	L52-V111 WeakPolarHBondContact CA-O 3.31Å; F53-V111 HydrophobicContact CB-CB 4.28Å; F53-V111 HydrophobicContact CD2-CB 4.46Å; F53-V111 PolarHBondContact N-O 3.46Å; F53-V111 PolarHBondContact O-N 3.43Å; Y55-V111 HydrophobicContact CD2-CG2 4.12Å
112	L	97.4	Very high	97.5	Very high	22 Å²	22	58.6 Å²	58.6	12%	0.115	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.9	174.3	168.4	69.5	0	0	0	108.9	Q21 V23 Y44 Y46 P50 Y51 L52	Q21-L112 HydrophobicContact CB-CD2 3.8Å; Q21-L112 HydrophobicContact CG-CD2 4.43Å; V23-L112 HydrophobicContact CG2-CB 3.34Å; V23-L112 HydrophobicContact CG2-CD2 4.46Å; Y44-L112 HydrophobicContact CD2-CD1 4.49Å; Y46-L112 HydrophobicContact CD1-CD1 4.07Å; Y46-L112 HydrophobicContact CG-CD2 4.33Å; P50-L112 HydrophobicContact CB-CD1 3.35Å; Y51-L112 CarbonylContact O-C 3.52Å; Y51-L112 WeakPolarHBondContact O-CA 3.41Å; L52-L112 HydrophobicContact CD2-CB 4.08Å; L52-L112 HydrophobicContact CD2-CD1 3.81Å; L52-L112 HydrophobicContact CG-CD1 4.49Å
113	S	92.7	Very high	97.6	Very high	79 Å²	79	47.9 Å²	47.9	55%	0.552	30%	0.297	S	S	*	.			trans	-135.4	0	168.1	-179.5	0	0	0	0	111.7	Y51	Y51-S113 PolarHBondContact N-O 2.99Å; Y51-S113 PolarHBondContact O-N 2.76Å

Retrieved 113 of 113 residues in 97.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).