A0A077ZKN5_TRITR Loading...

Cofilin ADF domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKN5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 aa.

						>A0A077ZKN5_TRITR|A0A077ZKN5
MEEHLEVSFAICRIHENSNVSIEQLRDSLPDIVPRFVLLCRRLVHSDEHVSFPLLVIFFSPYGCTATMQMLYAGSLNLVLCESRIHKYIEVRELEELTESSIDESLNCI
					

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	37.3	Very low	48.4	Very low	215 Å²	215	108.6 Å²	108.6	100%	1.059	55%	0.55	S	S	*	*				0	97.6	0	-165.9	176.3	74.1	0	0	104.8	E3	M1-E3 PolarHBondContact O-N 2.97Å
2	E	44.1	Very low	49.4	Very low	163 Å²	163	100.1 Å²	100.1	76%	0.762	51%	0.508	S	S	*	.			trans	-70.3	105.8	176.4	-90.8	161.5	137.9	0	0	107.3	H4	E2-H4 VanDerWaalsContact C-N 3.25Å; E2-H4 PolarHBondContact O-N 3.17Å
3	E	46.7	Very low	49.8	Very low	90 Å²	90	104.5 Å²	104.5	42%	0.421	52%	0.515	S	S	.	.			trans	-68.8	93.1	164.9	-70.5	-177.2	165.1	0	0	106.5	M1 L5 T67 L71	M1-E3 PolarHBondContact O-N 2.97Å; E3-L5 PolarHBondContact O-N 3.16Å; E3-L5 VanDerWaalsContact O-N 3.16Å; E3-T67 WeakPolarHBondContact OE2-CG2 3.41Å; E3-L71 HydrophobicContact CB-CD1 4.38Å
4	H	51.1	Low	50.2	Low	152 Å²	152	98.1 Å²	98.1	70%	0.704	48%	0.483	S	S	*	.			trans	-65.7	115.2	172.5	-72.6	-70	0	0	0	108.3	E2 E6	E2-H4 VanDerWaalsContact C-N 3.25Å; E2-H4 PolarHBondContact O-N 3.17Å; H4-E6 PolarHBondContact O-N 3.04Å
5	L	49.8	Very low	50.6	Low	54 Å²	54	96.9 Å²	96.9	28%	0.283	48%	0.476	S	S	.	.			trans	-69	100.7	175.8	-168.7	76.3	0	0	0	109	E3 V7 L71 Y72 S75	E3-L5 PolarHBondContact O-N 3.16Å; E3-L5 VanDerWaalsContact O-N 3.16Å; L5-V7 HydrophobicContact CD2-CG2 3.58Å; L5-V7 HydrophobicContact CG-CG2 3.87Å; L5-V7 PolarHBondContact O-N 3.04Å; L5-L71 HydrophobicContact CD1-CB 4.3Å; L5-Y72 HydrophobicContact CD1-CD1 4.24Å; L5-Y72 HydrophobicContact CD1-CD2 3.43Å; L5-Y72 VanDerWaalsContact CD1-CD2 3.43Å; L5-Y72 HydrophobicContact CD1-CE1 3.99Å; L5-Y72 HydrophobicContact CD1-CE2 3.17Å; L5-Y72 HydrophobicContact CD1-CG 3.96Å; L5-Y72 VanDerWaalsContact CD1-CZ 3.44Å; L5-Y72 HydrophobicContact CG-CE2 4.4Å; L5-S75 WeakPolarHBondContact CD2-OG 3.49Å
6	E	47	Very low	50.9	Low	150 Å²	150	100.5 Å²	100.5	70%	0.701	49%	0.491	S	S	*	.			trans	-73.8	95	165.7	-74.3	-171	168.5	0	0	108.9	H4 S8 Y72	H4-E6 PolarHBondContact O-N 3.04Å; E6-S8 PolarHBondContact O-N 3Å; E6-Y72 PolarHBondContact O-OH 2.9Å
7	V	48.2	Very low	50.7	Low	51 Å²	51	103.4 Å²	103.4	31%	0.309	51%	0.509	S	S	.	.			trans	-76.4	81.7	167.2	-175.6	0	0	0	0	107.7	L5 F9 F36 V79	L5-V7 HydrophobicContact CD2-CG2 3.58Å; L5-V7 HydrophobicContact CG-CG2 3.87Å; L5-V7 PolarHBondContact O-N 3.04Å; V7-F9 HydrophobicContact CG1-CD2 4.32Å; V7-F9 HydrophobicContact CG1-CE2 3.74Å; V7-F9 HydrophobicContact CG1-CZ 3.9Å; V7-F36 HydrophobicContact CG1-CD2 4.1Å; V7-V79 HydrophobicContact CG1-CG2 3.92Å
8	S	51.8	Low	50.3	Low	53 Å²	53	101.2 Å²	101.2	37%	0.371	51%	0.506	S	S	.	.			trans	-77.5	121	170.3	61.3	0	0	0	0	109.3	E6	E6-S8 PolarHBondContact O-N 3Å
9	F	48.7	Very low	50.9	Low	100 Å²	100	101.6 Å²	101.6	44%	0.439	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	114.3	167.6	-66.4	-90.2	0	0	0	109	V7 V79	V7-F9 HydrophobicContact CG1-CD2 4.32Å; V7-F9 HydrophobicContact CG1-CE2 3.74Å; V7-F9 HydrophobicContact CG1-CZ 3.9Å; F9-V79 HydrophobicContact CE1-CG1 3.85Å; F9-V79 HydrophobicContact CZ-CG1 4.2Å
10	A	53.4	Low	52	Low	48 Å²	48	98.7 Å²	98.7	40%	0.397	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.8	158.9	0	0	0	0	0	107.6	C12 V37 L38	A10-C12 PolarHBondContact O-N 3.24Å; A10-V37 HydrophobicContact CB-CG1 4.48Å; A10-L38 PolarHBondContact O-N 3.17Å; A10-L38 VanDerWaalsContact O-O 3.14Å
11	I	54.7	Low	53.5	Low	119 Å²	119	95.9 Å²	95.9	61%	0.61	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	99.4	168.6	-59.1	178.8	0	0	0	106.7	L38	I11-L38 WeakPolarHBondContact CA-O 3.43Å; I11-L38 HydrophobicContact CG1-CD2 4.37Å
12	C	60	Low	55.9	Low	6 Å²	6	85.7 Å²	85.7	4%	0.041	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.5	176	-169.3	0	0	0	0	109.2	A10 V20 L25 V37 L38 L39 C40	A10-C12 PolarHBondContact O-N 3.24Å; C12-V20 VanDerWaalsContact SG-CB 3.58Å; C12-L25 HydrophobicContact CB-CD1 4.18Å; C12-V37 HydrophobicContact CB-CG1 4.1Å; C12-L38 PolarHBondContact N-O 3.14Å; C12-L39 HydrophobicContact CB-CD1 4.22Å; C12-C40 PolarHBondContact O-N 3.46Å
13	R	54	Low	58	Low	158 Å²	158	82.6 Å²	82.6	60%	0.596	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.7	171.5	-73.8	-179.2	177.6	166.7	-0.9	108.7	V20 C40	R13-V20 PolarHBondContact O-N 3.26Å; R13-C40 HydrophobicContact CG-CB 4.3Å
14	I	56.5	Low	59.9	Low	15 Å²	15	83.5 Å²	83.5	8%	0.077	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.3	174.4	-56.8	-177.5	0	0	0	108.7	I22 L39 C40	I14-I22 HydrophobicContact CD1-CD1 3.31Å; I14-I22 HydrophobicContact CD1-CG1 4.17Å; I14-L39 HydrophobicContact CD1-CD1 3.39Å; I14-L39 HydrophobicContact CG1-CD1 3.63Å; I14-C40 PolarHBondContact N-O 3.18Å; I14-C40 VanDerWaalsContact N-O 3.13Å
15	H	55.6	Low	61.6	Low	79 Å²	79	76.4 Å²	76.4	37%	0.366	39%	0.394	S	S	.	.			trans	-147.9	153.6	-176.9	-168	-113	0	0	0	112.4	N17 S18 R42	H15-N17 VanDerWaalsContact C-N 3.29Å; H15-N17 PolarHBondContact ND1-N 2.94Å; H15-N17 VanDerWaalsContact ND1-N 3.11Å; H15-N17 PolarHBondContact O-N 2.95Å; H15-S18 WeakPolarHBondContact CB-O 3.31Å; H15-R42 WeakPolarHBondContact CD2-CD 3.33Å; H15-R42 WeakPolarHBondContact NE2-CD 3.17Å
16	E	55.7	Low	63.6	Low	155 Å²	155	76.3 Å²	76.3	72%	0.724	39%	0.39	S	S	*	.	S	Bend	trans	-62.5	-26.6	177.6	-68.5	168.5	159.5	0	0	114	R42	E16-R42 IonicContact OE2-NH1 2.9Å; E16-R42 PolarHBondContact OE2-NH1 3.04Å
17	N	46.9	Very low	65.6	Low	149 Å²	149	75.8 Å²	75.8	80%	0.797	39%	0.392	S	S	*	.	S	Bend	trans	-133.9	13.6	-174.7	-99	2.2	0	0	0	115.8	H15	H15-N17 VanDerWaalsContact C-N 3.29Å; H15-N17 PolarHBondContact ND1-N 2.94Å; H15-N17 VanDerWaalsContact ND1-N 3.11Å; H15-N17 PolarHBondContact O-N 2.95Å
18	S	43	Very low	67.4	Low	65 Å²	65	77.1 Å²	77.1	46%	0.455	40%	0.403	S	S	.	.	S	Bend	trans	171	123	153.2	47.6	0	0	0	0	111	H15	H15-S18 WeakPolarHBondContact CB-O 3.31Å
19	N	63.2	Low	69.2	Low	108 Å²	108	75.3 Å²	75.3	58%	0.578	39%	0.39	S	S	*	.	S	Bend		175.1	-27.5	100.3	-83.9	-52.2	0	0	0	114.5
20	V	72.8	Confident	71	Confident	44 Å²	44	72.6 Å²	72.6	27%	0.267	38%	0.382	S	S	.	.			trans	-157.2	128.6	171.8	-173.2	0	0	0	0	110	C12 R13 Q24 L25	C12-V20 VanDerWaalsContact SG-CB 3.58Å; R13-V20 PolarHBondContact O-N 3.26Å; V20-Q24 HydrophobicContact CG1-CB 3.62Å; V20-L25 HydrophobicContact CG1-CB 4.13Å
21	S	83.6	Confident	72.6	Confident	39 Å²	39	76 Å²	76	27%	0.273	39%	0.393	S	S	.	.			trans	-80	165.9	170.1	85.5	0	0	0	0	111.8	E23 Q24 L25	S21-E23 VanDerWaalsContact CB-OE2 3.25Å; S21-E23 WeakPolarHBondContact CB-OE2 3.36Å; S21-E23 PolarHBondContact O-N 3.49Å; S21-E23 PolarHBondContact OG-N 2.93Å; S21-E23 PolarHBondContact OG-OE2 3.27Å; S21-Q24 PolarHBondContact O-N 3.38Å; S21-Q24 PolarHBondContact OG-N 3.12Å; S21-L25 PolarHBondContact O-N 3.32Å
22	I	86.4	Confident	74.2	Confident	1 Å²	1	75.4 Å²	75.4	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-59.2	-37.2	174.7	-69.1	-61.3	0	0	0	111.7	I14 L25 R26 L97 E99 I102	I14-I22 HydrophobicContact CD1-CD1 3.31Å; I14-I22 HydrophobicContact CD1-CG1 4.17Å; I22-L25 WeakPolarHBondContact O-CB 3.33Å; I22-L25 PolarHBondContact O-N 3.22Å; I22-R26 WeakPolarHBondContact O-CG 3.37Å; I22-R26 PolarHBondContact O-N 3.01Å; I22-L97 WeakPolarHBondContact CG2-O 3.41Å; I22-E99 HydrophobicContact CB-CG 4.45Å; I22-E99 HydrophobicContact CG1-CG 3.51Å; I22-I102 HydrophobicContact CD1-CD1 3.24Å; I22-I102 HydrophobicContact CG1-CD1 4.45Å
23	E	89.1	Confident	75.5	Confident	99 Å²	99	77.4 Å²	77.4	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-63	-47.9	175.8	-58.5	68.1	-145.7	0	0	110.7	S21 L25 R26 D27	S21-E23 VanDerWaalsContact CB-OE2 3.25Å; S21-E23 WeakPolarHBondContact CB-OE2 3.36Å; S21-E23 PolarHBondContact O-N 3.49Å; S21-E23 PolarHBondContact OG-N 2.93Å; S21-E23 PolarHBondContact OG-OE2 3.27Å; E23-L25 VanDerWaalsContact C-N 3.27Å; E23-L25 PolarHBondContact O-N 2.99Å; E23-R26 WeakPolarHBondContact O-CB 3.38Å; E23-R26 PolarHBondContact O-N 3.11Å; E23-R26 VanDerWaalsContact O-N 3.15Å; E23-D27 VanDerWaalsContact O-CG 3.27Å; E23-D27 PolarHBondContact O-N 3Å
24	Q	87.1	Confident	77.3	Confident	109 Å²	109	69.9 Å²	69.9	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-34	176.5	-67.4	178	-45.5	0	0	112.4	V20 S21 S28	V20-Q24 HydrophobicContact CG1-CB 3.62Å; S21-Q24 PolarHBondContact O-N 3.38Å; S21-Q24 PolarHBondContact OG-N 3.12Å; Q24-S28 WeakPolarHBondContact O-CB 3.44Å; Q24-S28 PolarHBondContact O-N 2.96Å; Q24-S28 VanDerWaalsContact O-N 3.11Å
25	L	87	Confident	79	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.01	38%	0.381	C	S	.	.	H	α-helix	trans	-65.1	-46.9	173.3	174.9	59.7	0	0	0	110.6	C12 V20 S21 I22 E23 D27 S28 L29 V37 I57 L97	C12-L25 HydrophobicContact CB-CD1 4.18Å; V20-L25 HydrophobicContact CG1-CB 4.13Å; S21-L25 PolarHBondContact O-N 3.32Å; I22-L25 WeakPolarHBondContact O-CB 3.33Å; I22-L25 PolarHBondContact O-N 3.22Å; E23-L25 VanDerWaalsContact C-N 3.27Å; E23-L25 PolarHBondContact O-N 2.99Å; L25-D27 VanDerWaalsContact C-N 3.35Å; L25-D27 PolarHBondContact O-N 3.16Å; L25-S28 PolarHBondContact O-N 3.3Å; L25-S28 VanDerWaalsContact O-N 3.14Å; L25-S28 PolarHBondContact O-OG 3.33Å; L25-L29 WeakPolarHBondContact O-CG 3.22Å; L25-L29 PolarHBondContact O-N 3.33Å; L25-V37 HydrophobicContact CD1-CG1 4Å; L25-V37 HydrophobicContact CD1-CG2 4.47Å; L25-I57 HydrophobicContact CD2-CD1 4.31Å; L25-L97 HydrophobicContact CD2-CD2 3.92Å; L25-L97 HydrophobicContact CG-CD2 4.1Å
26	R	90.6	Very high	80.7	Confident	52 Å²	52	68.5 Å²	68.5	20%	0.196	37%	0.365	C	S	.	.	H	α-helix	trans	-58	-47	175.2	-70.8	166.6	173.4	160.3	-10.5	111.3	I22 E23 S28 L29 L94 E95 L97 T98	I22-R26 WeakPolarHBondContact O-CG 3.37Å; I22-R26 PolarHBondContact O-N 3.01Å; E23-R26 WeakPolarHBondContact O-CB 3.38Å; E23-R26 PolarHBondContact O-N 3.11Å; E23-R26 VanDerWaalsContact O-N 3.15Å; R26-S28 PolarHBondContact O-N 2.92Å; R26-L29 PolarHBondContact O-N 2.92Å; R26-L94 HydrophobicContact CB-CB 4.5Å; R26-L94 HydrophobicContact CB-CD2 4.31Å; R26-L94 HydrophobicContact CG-CB 4.25Å; R26-L94 HydrophobicContact CG-CD2 4.37Å; R26-L94 PolarHBondContact NE-O 3.22Å; R26-L94 PolarHBondContact NH2-O 3.46Å; R26-E95 PolarHBondContact NH2-O 3.31Å; R26-L97 HydrophobicContact CG-CD2 4.22Å; R26-L97 PolarHBondContact NE-O 2.77Å; R26-L97 PolarHBondContact NH2-O 2.78Å; R26-T98 VanDerWaalsContact NH2-CG2 3.35Å
27	D	89.4	Confident	82.4	Confident	140 Å²	140	61.3 Å²	61.3	75%	0.749	33%	0.331	S	S	*	.	H	α-helix	trans	-62.1	-24.6	178.3	-68.3	-16.7	0	0	0	113	E23 L25	E23-D27 VanDerWaalsContact O-CG 3.27Å; E23-D27 PolarHBondContact O-N 3Å; L25-D27 VanDerWaalsContact C-N 3.35Å; L25-D27 PolarHBondContact O-N 3.16Å
28	S	86.3	Confident	84.4	Confident	79 Å²	79	55.5 Å²	55.5	55%	0.552	30%	0.3	S	S	*	.	H	α-helix	trans	-83.5	-15.8	177.4	78.8	0	0	0	0	114	Q24 L25 R26	Q24-S28 WeakPolarHBondContact O-CB 3.44Å; Q24-S28 PolarHBondContact O-N 2.96Å; Q24-S28 VanDerWaalsContact O-N 3.11Å; L25-S28 PolarHBondContact O-N 3.3Å; L25-S28 VanDerWaalsContact O-N 3.14Å; L25-S28 PolarHBondContact O-OG 3.33Å; R26-S28 PolarHBondContact O-N 2.92Å
29	L	89	Confident	86.6	Confident	15 Å²	15	52.4 Å²	52.4	8%	0.079	28%	0.278	C	S	.	.	S	Bend	trans	-88	141.1	-176.7	-72.3	172.3	0	0	0	111.1	L25 R26 R35 V37 F59 L94 L97	L25-L29 WeakPolarHBondContact O-CG 3.22Å; L25-L29 PolarHBondContact O-N 3.33Å; R26-L29 PolarHBondContact O-N 2.92Å; L29-R35 HydrophobicContact CD2-CB 4.04Å; L29-R35 HydrophobicContact CD2-CG 4.31Å; L29-V37 HydrophobicContact CD2-CG2 3.74Å; L29-F59 HydrophobicContact CB-CD1 4.3Å; L29-F59 HydrophobicContact CB-CE1 4.25Å; L29-F59 HydrophobicContact CD1-CB 4.48Å; L29-F59 HydrophobicContact CD1-CD1 4.29Å; L29-F59 HydrophobicContact CD1-CG 4.22Å; L29-F59 HydrophobicContact CD2-CD1 4.37Å; L29-L94 HydrophobicContact CB-CD2 3.99Å; L29-L94 HydrophobicContact CD1-CD2 3.97Å; L29-L97 HydrophobicContact CD1-CD2 3.89Å
30	P	86.8	Confident	87.7	Confident	42 Å²	42	48.2 Å²	48.2	27%	0.273	26%	0.257	S	S	.	.			trans	-81	133.8	179	30.9	-32.9	0	0	0	111.9	I32 V33 R35 F59	P30-I32 PolarHBondContact O-N 2.84Å; P30-V33 HydrophobicContact CB-CB 4.23Å; P30-V33 HydrophobicContact CG-CB 3.93Å; P30-V33 WeakPolarHBondContact CG-O 3.21Å; P30-R35 HydrophobicContact CG-CG 3.82Å; P30-F59 WeakPolarHBondContact O-CE1 3.19Å
31	D	86.5	Confident	88.2	Confident	120 Å²	120	47.4 Å²	47.4	64%	0.642	25%	0.249	S	C	*	.	S	Bend	trans	-59.7	-22.6	-173.8	-58.9	-38.9	0	0	0	116.1	P61	D31-P61 WeakPolarHBondContact O-CB 3.22Å
32	I	87.6	Confident	88.3	Confident	107 Å²	107	48.8 Å²	48.8	55%	0.549	25%	0.248	S	C	.	.	S	Bend	trans	-125	-15.1	-165.8	-21.6	175.5	0	0	0	113	P30 G63 C64	P30-I32 PolarHBondContact O-N 2.84Å; I32-G63 WeakPolarHBondContact CG2-O 3.42Å; I32-C64 WeakPolarHBondContact O-CA 3.34Å; I32-C64 WeakPolarHBondContact O-CB 3.41Å
33	V	88.1	Confident	88.3	Confident	48 Å²	48	50 Å²	50	29%	0.291	26%	0.255	S	S	.	.	S	Bend	trans	-110.4	127	-171.5	-178.1	0	0	0	0	109.1	P30	P30-V33 HydrophobicContact CB-CB 4.23Å; P30-V33 HydrophobicContact CG-CB 3.93Å; P30-V33 WeakPolarHBondContact CG-O 3.21Å
34	P	92.1	Very high	88.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.			trans	-64.3	147.8	178.2	-19.4	31.6	0	0	0	111.9	F58 F59 C64 Y72	P34-F58 HydrophobicContact CB-CE2 4.16Å; P34-F59 CarbonylContact C-O 3.6Å; P34-F59 WeakPolarHBondContact CA-O 3.46Å; P34-F59 WeakPolarHBondContact CB-O 3.45Å; P34-C64 WeakPolarHBondContact CD-SG 3.44Å; P34-C64 HydrophobicContact CG-CB 3.94Å; P34-C64 WeakPolarHBondContact CG-SG 3.37Å; P34-Y72 HydrophobicContact CB-CD1 3.86Å; P34-Y72 HydrophobicContact CB-CD2 3.71Å; P34-Y72 HydrophobicContact CB-CE1 4.27Å; P34-Y72 HydrophobicContact CB-CE2 4.08Å; P34-Y72 HydrophobicContact CB-CG 3.61Å; P34-Y72 HydrophobicContact CG-CD2 3.84Å; P34-Y72 HydrophobicContact CG-CE2 4.25Å; P34-Y72 HydrophobicContact CG-CG 4.17Å; P34-Y72 WeakPolarHBondContact O-CE1 3.28Å; P34-Y72 VanDerWaalsContact O-CZ 3.26Å; P34-Y72 PolarHBondContact O-OH 3.15Å
35	R	91.7	Very high	88.2	Confident	62 Å²	62	47.6 Å²	47.6	23%	0.234	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	147.3	177	-67.9	-62.8	-176.8	-154.8	3.5	111	L29 P30 F59	L29-R35 HydrophobicContact CD2-CB 4.04Å; L29-R35 HydrophobicContact CD2-CG 4.31Å; P30-R35 HydrophobicContact CG-CG 3.82Å; R35-F59 PolarHBondContact N-O 3.1Å; R35-F59 PolarHBondContact O-N 2.9Å
36	F	92.3	Very high	88.3	Confident	3 Å²	3	53.9 Å²	53.9	1%	0.013	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.7	162.4	-64.7	-69.3	0	0	0	108.6	V7 V56 I57 F58 Y72 L76 V79	V7-F36 HydrophobicContact CG1-CD2 4.1Å; F36-V56 HydrophobicContact CD1-CG1 4.23Å; F36-I57 CarbonylContact C-O 3.54Å; F36-I57 WeakPolarHBondContact CA-O 3.5Å; F36-F58 HydrophobicContact CD1-CB 4.03Å; F36-F58 AromaticContact CD1-CD2 3.86Å; F36-F58 HydrophobicContact CD1-CD2 3.86Å; F36-F58 HydrophobicContact CD1-CG 4.21Å; F36-F58 HydrophobicContact CE1-CB 3.87Å; F36-F58 HydrophobicContact CE1-CD1 4.49Å; F36-F58 AromaticContact CE1-CD2 3.4Å; F36-F58 HydrophobicContact CE1-CD2 3.4Å; F36-F58 VanDerWaalsContact CE1-CD2 3.4Å; F36-F58 HydrophobicContact CE1-CE2 4.07Å; F36-F58 AromaticContact CE1-CG 3.66Å; F36-F58 HydrophobicContact CE1-CG 3.66Å; F36-F58 AromaticContact CZ-CD2 3.99Å; F36-F58 HydrophobicContact CZ-CD2 3.99Å; F36-F58 HydrophobicContact CZ-CE2 4.21Å; F36-Y72 AromaticContact CD2-CD1 3.91Å; F36-Y72 HydrophobicContact CD2-CD1 3.91Å; F36-Y72 HydrophobicContact CD2-CE1 4.17Å; F36-Y72 AromaticContact CE2-CD1 3.49Å; F36-Y72 HydrophobicContact CE2-CD1 3.49Å; F36-Y72 VanDerWaalsContact CE2-CD1 3.49Å; F36-Y72 HydrophobicContact CE2-CE1 4.14Å; F36-Y72 HydrophobicContact CE2-CG 4.45Å; F36-Y72 HydrophobicContact CZ-CD1 4.13Å; F36-Y72 WeakPolarHBondContact CZ-O 3.37Å; F36-L76 HydrophobicContact CD1-CD1 4.38Å; F36-L76 HydrophobicContact CE1-CB 4.17Å; F36-L76 HydrophobicContact CE1-CD1 3.67Å; F36-L76 HydrophobicContact CZ-CB 4.15Å; F36-L76 HydrophobicContact CZ-CD1 4.46Å; F36-V79 HydrophobicContact CB-CG1 4.3Å; F36-V79 HydrophobicContact CD1-CG1 4.22Å; F36-V79 HydrophobicContact CD2-CG1 4.46Å; F36-V79 HydrophobicContact CD2-CG2 3.76Å; F36-V79 HydrophobicContact CE2-CG2 3.73Å; F36-V79 HydrophobicContact CG-CG1 4.08Å; F36-V79 HydrophobicContact CG-CG2 4.2Å; F36-V79 HydrophobicContact CZ-CG2 4.19Å
37	V	90.6	Very high	88.4	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.6	173.3	-176.4	0	0	0	0	108.1	A10 C12 L25 L29 V56 I57	A10-V37 HydrophobicContact CB-CG1 4.48Å; C12-V37 HydrophobicContact CB-CG1 4.1Å; L25-V37 HydrophobicContact CD1-CG1 4Å; L25-V37 HydrophobicContact CD1-CG2 4.47Å; L29-V37 HydrophobicContact CD2-CG2 3.74Å; V37-V56 CarbonylContact O-C 3.59Å; V37-V56 WeakPolarHBondContact O-CA 3.45Å; V37-I57 HydrophobicContact CB-CB 4.14Å; V37-I57 HydrophobicContact CB-CD1 4.36Å; V37-I57 HydrophobicContact CG1-CD1 4.44Å; V37-I57 PolarHBondContact N-O 2.97Å; V37-I57 PolarHBondContact O-N 2.67Å
38	L	89.5	Confident	88.4	Confident	28 Å²	28	58.2 Å²	58.2	15%	0.147	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	107.8	167.7	175.5	54.7	0	0	0	108.3	A10 I11 C12 L54 I85	A10-L38 PolarHBondContact O-N 3.17Å; A10-L38 VanDerWaalsContact O-O 3.14Å; I11-L38 WeakPolarHBondContact CA-O 3.43Å; I11-L38 HydrophobicContact CG1-CD2 4.37Å; C12-L38 PolarHBondContact N-O 3.14Å; L38-L54 HydrophobicContact CD1-CB 4.23Å; L38-I85 HydrophobicContact CD1-CD1 3.14Å; L38-I85 HydrophobicContact CG-CD1 4.48Å
39	L	88.3	Confident	88.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	129.5	177.6	-179.6	71.4	0	0	0	110.5	C12 I14 L54 L55 I57 I102	C12-L39 HydrophobicContact CB-CD1 4.22Å; I14-L39 HydrophobicContact CD1-CD1 3.39Å; I14-L39 HydrophobicContact CG1-CD1 3.63Å; L39-L54 CarbonylContact O-C 3.58Å; L39-L54 VanDerWaalsContact O-CA 3.28Å; L39-L54 WeakPolarHBondContact O-CA 3.39Å; L39-L55 HydrophobicContact CB-CB 4.32Å; L39-L55 WeakPolarHBondContact CB-O 3.12Å; L39-L55 HydrophobicContact CD2-CB 4.46Å; L39-L55 HydrophobicContact CD2-CD2 4.28Å; L39-L55 PolarHBondContact N-O 3.11Å; L39-L55 PolarHBondContact O-N 2.69Å; L39-I57 HydrophobicContact CB-CD1 4.09Å; L39-I57 HydrophobicContact CD2-CD1 4.29Å; L39-I102 HydrophobicContact CD2-CB 4.34Å; L39-I102 HydrophobicContact CD2-CD1 3.74Å; L39-I102 HydrophobicContact CD2-CG1 3.92Å; L39-I102 HydrophobicContact CD2-CG2 3.48Å; L39-I102 VanDerWaalsContact CD2-CG2 3.48Å
40	C	86.9	Confident	88.6	Confident	19 Å²	19	61.2 Å²	61.2	13%	0.128	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	112.5	165.2	178.8	0	0	0	0	108.5	C12 R13 I14 L54	C12-C40 PolarHBondContact O-N 3.46Å; R13-C40 HydrophobicContact CG-CB 4.3Å; I14-C40 PolarHBondContact N-O 3.18Å; I14-C40 VanDerWaalsContact N-O 3.13Å; C40-L54 HydrophobicContact CB-CD2 3.64Å
41	R	84.3	Confident	88.8	Confident	27 Å²	27	60.6 Å²	60.6	10%	0.102	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.5	178.8	-175.7	155.3	173.6	99.7	-10.6	109.3	L43 F52 P53 D103 L106	R41-L43 HydrophobicContact CG-CD2 4.01Å; R41-F52 WeakPolarHBondContact O-CA 3.37Å; R41-P53 PolarHBondContact N-O 3.48Å; R41-P53 VanDerWaalsContact N-O 3.14Å; R41-P53 WeakPolarHBondContact O-CD 3.16Å; R41-D103 IonicContact CZ-OD1 3.18Å; R41-D103 IonicContact CZ-OD2 3.73Å; R41-D103 IonicContact NE-OD1 2.7Å; R41-D103 PolarHBondContact NE-OD1 2.87Å; R41-D103 IonicContact NH2-OD1 2.96Å; R41-D103 PolarHBondContact NH2-OD1 3.38Å; R41-D103 IonicContact NH2-OD2 2.78Å; R41-D103 PolarHBondContact NH2-OD2 3.33Å; R41-L106 HydrophobicContact CB-CD1 3.82Å; R41-L106 HydrophobicContact CG-CD1 4.3Å
42	R	85.2	Confident	88.9	Confident	68 Å²	68	60.8 Å²	60.8	26%	0.257	31%	0.314	S	S	.	.			trans	-78.9	130.3	167.9	-177.7	-176.4	170.1	-114.3	5.2	109.1	H15 E16 V44 V50 S51 F52	H15-R42 WeakPolarHBondContact CD2-CD 3.33Å; H15-R42 WeakPolarHBondContact NE2-CD 3.17Å; E16-R42 IonicContact OE2-NH1 2.9Å; E16-R42 PolarHBondContact OE2-NH1 3.04Å; R42-V44 VanDerWaalsContact CZ-CG2 3.45Å; R42-V50 HydrophobicContact CG-CG1 3.57Å; R42-S51 WeakPolarHBondContact CA-O 3.48Å; R42-F52 HydrophobicContact CB-CD1 4Å; R42-F52 HydrophobicContact CB-CE1 3.74Å; R42-F52 HydrophobicContact CG-CD1 4.28Å; R42-F52 HydrophobicContact CG-CE1 3.73Å; R42-F52 HydrophobicContact CG-CZ 4.09Å
43	L	85.2	Confident	89	Confident	28 Å²	28	57.1 Å²	57.1	15%	0.147	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.4	170.4	-58.9	179	0	0	0	109.8	R41 V50 S51 P53 C108	R41-L43 HydrophobicContact CG-CD2 4.01Å; L43-V50 CarbonylContact O-C 3.55Å; L43-V50 VanDerWaalsContact O-CA 3.3Å; L43-V50 WeakPolarHBondContact O-CA 3.48Å; L43-S51 PolarHBondContact N-O 3.48Å; L43-S51 PolarHBondContact O-N 3.09Å; L43-P53 HydrophobicContact CD1-CG 3.49Å; L43-P53 VanDerWaalsContact CD1-CG 3.49Å; L43-P53 HydrophobicContact CG-CG 3.78Å; L43-C108 WeakPolarHBondContact CD1-SG 3.32Å; L43-C108 HydrophobicContact CD2-CB 4.36Å; L43-C108 WeakPolarHBondContact CD2-SG 3.1Å
44	V	87.3	Confident	89.1	Confident	80 Å²	80	58.6 Å²	58.6	49%	0.485	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.1	168	-174.3	0	0	0	0	106.9	R42 V50	R42-V44 VanDerWaalsContact CZ-CG2 3.45Å; V44-V50 HydrophobicContact CG2-CG2 4.35Å
45	H	87.7	Confident	89.1	Confident	76 Å²	76	58.6 Å²	58.6	35%	0.352	30%	0.304	S	S	.	.			trans	-80.2	164.5	177.9	-64.6	-79.6	0	0	0	110.4	D47 E48 H49 S51	H45-D47 WeakPolarHBondContact CB-OD1 3.19Å; H45-D47 PolarHBondContact O-N 2.88Å; H45-E48 PolarHBondContact O-N 3.14Å; H45-H49 HydrophobicContact CB-CB 4.31Å; H45-H49 WeakPolarHBondContact CB-O 3.38Å; H45-H49 AromaticContact CD2-ND1 3.55Å; H45-H49 PolarHBondContact CD2-O 3.34Å; H45-H49 VanDerWaalsContact CD2-O 3.26Å; H45-H49 PolarHBondContact N-O 3.43Å; H45-S51 VanDerWaalsContact NE2-CB 3.35Å; H45-S51 WeakPolarHBondContact NE2-CB 3.43Å; H45-S51 PolarHBondContact NE2-OG 3.39Å
46	S	89.2	Confident	89.1	Confident	134 Å²	134	55.8 Å²	55.8	94%	0.937	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	-179.4	52.7	0	0	0	0	114	E48	S46-E48 VanDerWaalsContact C-N 3.28Å
47	D	92.2	Very high	89.2	Confident	113 Å²	113	55.6 Å²	55.6	60%	0.604	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	16.4	174.3	67.1	-11.2	0	0	0	113.1	H45 H49	H45-D47 WeakPolarHBondContact CB-OD1 3.19Å; H45-D47 PolarHBondContact O-N 2.88Å; D47-H49 PolarHBondContact O-N 3.22Å; D47-H49 VanDerWaalsContact O-N 3.08Å; D47-H49 WeakPolarHBondContact OD1-CB 3.38Å; D47-H49 PolarHBondContact OD1-N 2.97Å
48	E	89.1	Confident	89.4	Confident	171 Å²	171	55.7 Å²	55.7	80%	0.799	29%	0.293	S	S	*	.	S	Bend	trans	65.5	-0.8	-175.3	-50.1	-174.4	124.5	0	0	114.7	H45 S46	H45-E48 PolarHBondContact O-N 3.14Å; S46-E48 VanDerWaalsContact C-N 3.28Å
49	H	90.8	Very high	89.5	Confident	109 Å²	109	54.5 Å²	54.5	51%	0.505	29%	0.286	S	S	.	.			trans	-62	142.1	173.2	179.4	-102.1	0	0	0	109.8	H45 D47	H45-H49 HydrophobicContact CB-CB 4.31Å; H45-H49 WeakPolarHBondContact CB-O 3.38Å; H45-H49 AromaticContact CD2-ND1 3.55Å; H45-H49 PolarHBondContact CD2-O 3.34Å; H45-H49 VanDerWaalsContact CD2-O 3.26Å; H45-H49 PolarHBondContact N-O 3.43Å; D47-H49 PolarHBondContact O-N 3.22Å; D47-H49 VanDerWaalsContact O-N 3.08Å; D47-H49 WeakPolarHBondContact OD1-CB 3.38Å; D47-H49 PolarHBondContact OD1-N 2.97Å
50	V	90.2	Very high	89.8	Confident	48 Å²	48	54.7 Å²	54.7	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.7	177.9	-178.4	0	0	0	0	108.9	R42 L43 V44 F52	R42-V50 HydrophobicContact CG-CG1 3.57Å; L43-V50 CarbonylContact O-C 3.55Å; L43-V50 VanDerWaalsContact O-CA 3.3Å; L43-V50 WeakPolarHBondContact O-CA 3.48Å; V44-V50 HydrophobicContact CG2-CG2 4.35Å; V50-F52 HydrophobicContact CG1-CE2 3.75Å; V50-F52 HydrophobicContact CG1-CZ 3.82Å
51	S	90.6	Very high	90	Very high	29 Å²	29	54 Å²	54	20%	0.203	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	163	171.1	77.4	0	0	0	0	112	R42 L43 H45 P53	R42-S51 WeakPolarHBondContact CA-O 3.48Å; L43-S51 PolarHBondContact N-O 3.48Å; L43-S51 PolarHBondContact O-N 3.09Å; H45-S51 VanDerWaalsContact NE2-CB 3.35Å; H45-S51 WeakPolarHBondContact NE2-CB 3.43Å; H45-S51 PolarHBondContact NE2-OG 3.39Å; S51-P53 WeakPolarHBondContact OG-CD 3.39Å
52	F	88.3	Confident	90.3	Very high	123 Å²	123	59.1 Å²	59.1	54%	0.539	30%	0.303	S	S	.	.			trans	-130.1	67.4	179.1	-64	-88.7	0	0	0	109.9	R41 R42 V50	R41-F52 WeakPolarHBondContact O-CA 3.37Å; R42-F52 HydrophobicContact CB-CD1 4Å; R42-F52 HydrophobicContact CB-CE1 3.74Å; R42-F52 HydrophobicContact CG-CD1 4.28Å; R42-F52 HydrophobicContact CG-CE1 3.73Å; R42-F52 HydrophobicContact CG-CZ 4.09Å; V50-F52 HydrophobicContact CG1-CE2 3.75Å; V50-F52 HydrophobicContact CG1-CZ 3.82Å
53	P	89.7	Confident	90.4	Very high	31 Å²	31	58.4 Å²	58.4	20%	0.201	32%	0.317	C	S	.	.			trans	-58.5	147.7	175.2	28.8	-41.4	0	0	0	112.1	R41 L43 S51 L106	R41-P53 PolarHBondContact N-O 3.48Å; R41-P53 VanDerWaalsContact N-O 3.14Å; R41-P53 WeakPolarHBondContact O-CD 3.16Å; L43-P53 HydrophobicContact CD1-CG 3.49Å; L43-P53 VanDerWaalsContact CD1-CG 3.49Å; L43-P53 HydrophobicContact CG-CG 3.78Å; S51-P53 WeakPolarHBondContact OG-CD 3.39Å; P53-L106 HydrophobicContact CB-CD1 4.34Å; P53-L106 HydrophobicContact CB-CD2 3.75Å; P53-L106 HydrophobicContact CG-CD1 3.84Å; P53-L106 HydrophobicContact CG-CD2 4.18Å; P53-L106 HydrophobicContact CG-CG 4.47Å
54	L	89.8	Confident	90.5	Very high	78 Å²	78	57.5 Å²	57.5	41%	0.408	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.5	174.7	-57.2	179.2	0	0	0	109.9	L38 L39 C40 I85	L38-L54 HydrophobicContact CD1-CB 4.23Å; L39-L54 CarbonylContact O-C 3.58Å; L39-L54 VanDerWaalsContact O-CA 3.28Å; L39-L54 WeakPolarHBondContact O-CA 3.39Å; C40-L54 HydrophobicContact CB-CD2 3.64Å; L54-I85 HydrophobicContact CB-CD1 3.59Å; L54-I85 HydrophobicContact CB-CG1 4.01Å; L54-I85 HydrophobicContact CD1-CD1 4.07Å; L54-I85 HydrophobicContact CD1-CG1 4.39Å; L54-I85 HydrophobicContact CG-CD1 4.47Å
55	L	91.7	Very high	90.6	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.2	176.5	179.3	67.9	0	0	0	108.9	L39 I57 K87 I89 I102 L106	L39-L55 HydrophobicContact CB-CB 4.32Å; L39-L55 WeakPolarHBondContact CB-O 3.12Å; L39-L55 HydrophobicContact CD2-CB 4.46Å; L39-L55 HydrophobicContact CD2-CD2 4.28Å; L39-L55 PolarHBondContact N-O 3.11Å; L39-L55 PolarHBondContact O-N 2.69Å; L55-I57 HydrophobicContact CD2-CG1 4.43Å; L55-K87 HydrophobicContact CD1-CB 4.11Å; L55-I89 HydrophobicContact CD2-CD1 4.04Å; L55-I89 HydrophobicContact CD2-CG1 4.13Å; L55-I102 HydrophobicContact CD2-CG1 4.43Å; L55-I102 HydrophobicContact CD2-CG2 4.42Å; L55-L106 HydrophobicContact CB-CD2 3.93Å
56	V	93.4	Very high	90.8	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.3	167.3	173.9	0	0	0	0	108.5	F36 V37 V79 L80 I85 K87 Y88 I89	F36-V56 HydrophobicContact CD1-CG1 4.23Å; V37-V56 CarbonylContact O-C 3.59Å; V37-V56 WeakPolarHBondContact O-CA 3.45Å; V56-V79 HydrophobicContact CG1-CG1 4.25Å; V56-L80 HydrophobicContact CB-CD2 3.95Å; V56-L80 HydrophobicContact CG1-CD2 4.28Å; V56-L80 HydrophobicContact CG2-CD2 3.98Å; V56-I85 HydrophobicContact CG2-CB 4.12Å; V56-I85 HydrophobicContact CG2-CD1 3.98Å; V56-I85 HydrophobicContact CG2-CG2 4.04Å; V56-K87 PolarHBondContact N-O 3.29Å; V56-Y88 CarbonylContact O-C 3.55Å; V56-Y88 WeakPolarHBondContact O-CA 3.47Å; V56-Y88 WeakPolarHBondContact O-CB 3.34Å; V56-I89 PolarHBondContact O-N 2.7Å
57	I	93.4	Very high	90.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.9	168.7	-57	157.8	0	0	0	106.9	L25 F36 V37 L39 L55 I89 V91 L97	L25-I57 HydrophobicContact CD2-CD1 4.31Å; F36-I57 CarbonylContact C-O 3.54Å; F36-I57 WeakPolarHBondContact CA-O 3.5Å; V37-I57 HydrophobicContact CB-CB 4.14Å; V37-I57 HydrophobicContact CB-CD1 4.36Å; V37-I57 HydrophobicContact CG1-CD1 4.44Å; V37-I57 PolarHBondContact N-O 2.97Å; V37-I57 PolarHBondContact O-N 2.67Å; L39-I57 HydrophobicContact CB-CD1 4.09Å; L39-I57 HydrophobicContact CD2-CD1 4.29Å; L55-I57 HydrophobicContact CD2-CG1 4.43Å; I57-I89 HydrophobicContact CB-CG1 4.4Å; I57-I89 HydrophobicContact CG1-CD1 4.19Å; I57-I89 HydrophobicContact CG1-CG1 4.02Å; I57-I89 HydrophobicContact CG2-CG1 4.32Å; I57-V91 HydrophobicContact CG2-CB 4.24Å; I57-V91 HydrophobicContact CG2-CG2 3.82Å; I57-L97 HydrophobicContact CD1-CD1 3.68Å; I57-L97 HydrophobicContact CG1-CD1 4.4Å; I57-L97 HydrophobicContact CG2-CD1 4.31Å
58	F	94.2	Very high	90.9	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.022	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	96.4	166.7	176.9	-149.2	0	0	0	108.6	P34 F36 S60 Y72 A73 L76 I89 E90 V91	P34-F58 HydrophobicContact CB-CE2 4.16Å; F36-F58 HydrophobicContact CD1-CB 4.03Å; F36-F58 AromaticContact CD1-CD2 3.86Å; F36-F58 HydrophobicContact CD1-CD2 3.86Å; F36-F58 HydrophobicContact CD1-CG 4.21Å; F36-F58 HydrophobicContact CE1-CB 3.87Å; F36-F58 HydrophobicContact CE1-CD1 4.49Å; F36-F58 AromaticContact CE1-CD2 3.4Å; F36-F58 HydrophobicContact CE1-CD2 3.4Å; F36-F58 VanDerWaalsContact CE1-CD2 3.4Å; F36-F58 HydrophobicContact CE1-CE2 4.07Å; F36-F58 AromaticContact CE1-CG 3.66Å; F36-F58 HydrophobicContact CE1-CG 3.66Å; F36-F58 AromaticContact CZ-CD2 3.99Å; F36-F58 HydrophobicContact CZ-CD2 3.99Å; F36-F58 HydrophobicContact CZ-CE2 4.21Å; F58-S60 PolarHBondContact O-N 3.32Å; F58-Y72 HydrophobicContact CE2-CD1 4.44Å; F58-Y72 HydrophobicContact CE2-CG 4.44Å; F58-A73 HydrophobicContact CE1-CB 4.35Å; F58-A73 HydrophobicContact CZ-CB 4.46Å; F58-L76 HydrophobicContact CB-CD1 4.41Å; F58-L76 HydrophobicContact CD1-CD2 4.42Å; F58-I89 PolarHBondContact N-O 2.91Å; F58-E90 HydrophobicContact CD1-CB 4.38Å; F58-E90 HydrophobicContact CD1-CG 3.89Å; F58-E90 HydrophobicContact CE1-CG 4.37Å; F58-E90 CarbonylContact O-C 3.49Å; F58-E90 WeakPolarHBondContact O-CA 3.22Å; F58-V91 PolarHBondContact O-N 3.12Å
59	F	93.2	Very high	90.9	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.013	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	113.7	172.7	-178.8	-119.9	0	0	0	109.3	L29 P30 P34 R35 P61 V91 L94	L29-F59 HydrophobicContact CB-CD1 4.3Å; L29-F59 HydrophobicContact CB-CE1 4.25Å; L29-F59 HydrophobicContact CD1-CB 4.48Å; L29-F59 HydrophobicContact CD1-CD1 4.29Å; L29-F59 HydrophobicContact CD1-CG 4.22Å; L29-F59 HydrophobicContact CD2-CD1 4.37Å; P30-F59 WeakPolarHBondContact O-CE1 3.19Å; P34-F59 CarbonylContact C-O 3.6Å; P34-F59 WeakPolarHBondContact CA-O 3.46Å; P34-F59 WeakPolarHBondContact CB-O 3.45Å; R35-F59 PolarHBondContact N-O 3.1Å; R35-F59 PolarHBondContact O-N 2.9Å; F59-P61 HydrophobicContact CD1-CG 4.34Å; F59-P61 HydrophobicContact CE1-CB 4.09Å; F59-P61 HydrophobicContact CE1-CG 3.77Å; F59-P61 HydrophobicContact CE2-CB 4.36Å; F59-P61 HydrophobicContact CZ-CB 3.77Å; F59-P61 HydrophobicContact CZ-CG 3.99Å; F59-V91 CarbonylContact C-O 3.6Å; F59-V91 WeakPolarHBondContact CA-O 3.32Å; F59-V91 HydrophobicContact CD2-CB 4.19Å; F59-V91 HydrophobicContact CD2-CG1 3.8Å; F59-V91 WeakPolarHBondContact CD2-O 2.97Å; F59-V91 HydrophobicContact CE2-CG1 4.24Å; F59-L94 HydrophobicContact CD2-CD2 4.44Å; F59-L94 HydrophobicContact CE1-CD2 4.21Å; F59-L94 HydrophobicContact CE2-CD2 3.71Å; F59-L94 HydrophobicContact CE2-CG 4.19Å; F59-L94 HydrophobicContact CZ-CD2 3.57Å; F59-L94 HydrophobicContact CZ-CG 3.97Å
60	S	92.9	Very high	91	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.021	27%	0.271	C	S	.	.			trans	-128.8	76.8	-177.5	178.3	0	0	0	0	110.3	F58 V91	F58-S60 PolarHBondContact O-N 3.32Å; S60-V91 PolarHBondContact N-O 2.95Å
61	P	92.8	Very high	91.1	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.032	27%	0.271	C	S	.	.			trans	-61	146.9	-175	24.4	-32.5	0	0	0	112.5	D31 F59 G63 C64 R92	D31-P61 WeakPolarHBondContact O-CB 3.22Å; F59-P61 HydrophobicContact CD1-CG 4.34Å; F59-P61 HydrophobicContact CE1-CB 4.09Å; F59-P61 HydrophobicContact CE1-CG 3.77Å; F59-P61 HydrophobicContact CE2-CB 4.36Å; F59-P61 HydrophobicContact CZ-CB 3.77Å; F59-P61 HydrophobicContact CZ-CG 3.99Å; P61-G63 PolarHBondContact O-N 2.87Å; P61-G63 VanDerWaalsContact O-N 3.17Å; P61-C64 WeakPolarHBondContact O-CB 3.43Å; P61-C64 PolarHBondContact O-N 3.33Å; P61-C64 VanDerWaalsContact O-N 3.11Å; P61-R92 VanDerWaalsContact CA-O 3.32Å; P61-R92 WeakPolarHBondContact CA-O 3.32Å
62	Y	89.7	Confident	91.2	Very high	134 Å²	134	47.6 Å²	47.6	53%	0.525	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.3	177.4	-74.4	-71.7	0	0	0	113.6	C64 R92 E93	Y62-C64 PolarHBondContact O-N 2.82Å; Y62-R92 HydrophobicContact CD2-CB 4.26Å; Y62-R92 VanDerWaalsContact CE1-NH2 3.3Å; Y62-R92 HydrophobicContact CE2-CB 3.81Å; Y62-R92 VanDerWaalsContact CZ-NE 3.33Å; Y62-R92 PolarHBondContact OH-NE 2.7Å; Y62-E93 HydrophobicContact CD2-CG 3.77Å; Y62-E93 HydrophobicContact CE2-CG 3.7Å
63	G	87.3	Confident	91.4	Very high	53 Å²	53	44.2 Å²	44.2	55%	0.546	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.4	180	0	0	0	0	0	114.8	I32 P61	I32-G63 WeakPolarHBondContact CG2-O 3.42Å; P61-G63 PolarHBondContact O-N 2.87Å; P61-G63 VanDerWaalsContact O-N 3.17Å
64	C	86.8	Confident	91.6	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.068	28%	0.28	C	S	.	.	S	Bend	trans	-67.7	144.3	-178.2	179	0	0	0	0	112.7	I32 P34 P61 Y62 M68 Q69	I32-C64 WeakPolarHBondContact O-CA 3.34Å; I32-C64 WeakPolarHBondContact O-CB 3.41Å; P34-C64 WeakPolarHBondContact CD-SG 3.44Å; P34-C64 HydrophobicContact CG-CB 3.94Å; P34-C64 WeakPolarHBondContact CG-SG 3.37Å; P61-C64 WeakPolarHBondContact O-CB 3.43Å; P61-C64 PolarHBondContact O-N 3.33Å; P61-C64 VanDerWaalsContact O-N 3.11Å; Y62-C64 PolarHBondContact O-N 2.82Å; C64-M68 WeakPolarHBondContact SG-CB 3.48Å; C64-Q69 HydrophobicContact CB-CG 3.89Å; C64-Q69 PolarHBondContact O-NE2 2.98Å
65	T	90.7	Very high	91.8	Very high	75 Å²	75	43.3 Å²	43.3	46%	0.46	27%	0.27	S	S	.	.			trans	-64.7	149.2	174.8	71.3	0	0	0	0	111.6	T67 M68 Q69	T65-T67 PolarHBondContact O-N 2.8Å; T65-M68 PolarHBondContact O-N 3.45Å; T65-M68 VanDerWaalsContact O-N 3.12Å; T65-M68 WeakPolarHBondContact OG1-CB 3.32Å; T65-M68 WeakPolarHBondContact OG1-CG 3.45Å; T65-M68 PolarHBondContact OG1-N 2.8Å; T65-Q69 WeakPolarHBondContact O-CG 3.34Å; T65-Q69 PolarHBondContact O-N 3.35Å
66	A	91.3	Very high	91.8	Very high	78 Å²	78	43.9 Å²	43.9	65%	0.645	27%	0.273	S	S	*	.	H	α-helix	trans	-56.6	-37.3	178.4	0	0	0	0	0	112.8	Q69 M70	A66-Q69 PolarHBondContact O-N 2.78Å; A66-M70 WeakPolarHBondContact O-CB 3.07Å; A66-M70 PolarHBondContact O-N 2.83Å
67	T	91.9	Very high	91.8	Very high	76 Å²	76	49.8 Å²	49.8	47%	0.466	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-48	176.3	-57.9	0	0	0	0	111.4	E3 T65 M70 L71	E3-T67 WeakPolarHBondContact OE2-CG2 3.41Å; T65-T67 PolarHBondContact O-N 2.8Å; T67-M70 PolarHBondContact O-N 2.86Å; T67-L71 HydrophobicContact CG2-CD1 4.06Å; T67-L71 HydrophobicContact CG2-CG 4.49Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.4Å; T67-L71 PolarHBondContact O-N 3.32Å
68	M	90.3	Very high	91.8	Very high	60 Å²	60	54.9 Å²	54.9	30%	0.296	33%	0.331	S	S	.	.	H	α-helix	trans	-65.5	-42.4	178.1	-76.7	174.3	177.1	0	0	111.9	C64 T65 M70 L71 Y72	C64-M68 WeakPolarHBondContact SG-CB 3.48Å; T65-M68 PolarHBondContact O-N 3.45Å; T65-M68 VanDerWaalsContact O-N 3.12Å; T65-M68 WeakPolarHBondContact OG1-CB 3.32Å; T65-M68 WeakPolarHBondContact OG1-CG 3.45Å; T65-M68 PolarHBondContact OG1-N 2.8Å; M68-M70 VanDerWaalsContact C-N 3.3Å; M68-M70 PolarHBondContact O-N 2.89Å; M68-L71 PolarHBondContact O-N 3.49Å; M68-Y72 WeakPolarHBondContact O-CD2 3.34Å; M68-Y72 PolarHBondContact O-N 2.95Å
69	Q	90.1	Very high	91.6	Very high	57 Å²	57	54.9 Å²	54.9	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-56.1	-46.5	174.5	-71.5	-180	-0.7	0	0	111.1	C64 T65 A66 A73	C64-Q69 HydrophobicContact CB-CG 3.89Å; C64-Q69 PolarHBondContact O-NE2 2.98Å; T65-Q69 WeakPolarHBondContact O-CG 3.34Å; T65-Q69 PolarHBondContact O-N 3.35Å; A66-Q69 PolarHBondContact O-N 2.78Å; Q69-A73 WeakPolarHBondContact O-CB 3.41Å; Q69-A73 PolarHBondContact O-N 3.3Å
70	M	92.8	Very high	91.6	Very high	134 Å²	134	55.5 Å²	55.5	66%	0.66	34%	0.335	S	S	*	.	H	α-helix	trans	-62.3	-45.9	178	-171.3	-173.7	83.2	0	0	112.1	A66 T67 M68 G74	A66-M70 WeakPolarHBondContact O-CB 3.07Å; A66-M70 PolarHBondContact O-N 2.83Å; T67-M70 PolarHBondContact O-N 2.86Å; M68-M70 VanDerWaalsContact C-N 3.3Å; M68-M70 PolarHBondContact O-N 2.89Å; M70-G74 PolarHBondContact O-N 2.89Å
71	L	92.7	Very high	91.6	Very high	59 Å²	59	59.8 Å²	59.8	31%	0.309	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-45.9	-179.1	-72	174	0	0	0	112.2	E3 L5 T67 M68 S75	E3-L71 HydrophobicContact CB-CD1 4.38Å; L5-L71 HydrophobicContact CD1-CB 4.3Å; T67-L71 HydrophobicContact CG2-CD1 4.06Å; T67-L71 HydrophobicContact CG2-CG 4.49Å; T67-L71 VanDerWaalsContact O-CG 3.31Å; T67-L71 WeakPolarHBondContact O-CG 3.4Å; T67-L71 PolarHBondContact O-N 3.32Å; M68-L71 PolarHBondContact O-N 3.49Å; L71-S75 WeakPolarHBondContact O-CB 3.22Å; L71-S75 PolarHBondContact O-N 3.2Å; L71-S75 VanDerWaalsContact O-N 3.16Å; L71-S75 PolarHBondContact O-OG 3.14Å
72	Y	92.8	Very high	91.4	Very high	13 Å²	13	66.2 Å²	66.2	5%	0.051	39%	0.393	C	S	.	.	H	α-helix	trans	-68.2	-48	178.4	-86.3	-92.8	0	0	0	111.3	L5 E6 P34 F36 F58 M68 G74 S75 L76	L5-Y72 HydrophobicContact CD1-CD1 4.24Å; L5-Y72 HydrophobicContact CD1-CD2 3.43Å; L5-Y72 VanDerWaalsContact CD1-CD2 3.43Å; L5-Y72 HydrophobicContact CD1-CE1 3.99Å; L5-Y72 HydrophobicContact CD1-CE2 3.17Å; L5-Y72 HydrophobicContact CD1-CG 3.96Å; L5-Y72 VanDerWaalsContact CD1-CZ 3.44Å; L5-Y72 HydrophobicContact CG-CE2 4.4Å; E6-Y72 PolarHBondContact O-OH 2.9Å; P34-Y72 HydrophobicContact CB-CD1 3.86Å; P34-Y72 HydrophobicContact CB-CD2 3.71Å; P34-Y72 HydrophobicContact CB-CE1 4.27Å; P34-Y72 HydrophobicContact CB-CE2 4.08Å; P34-Y72 HydrophobicContact CB-CG 3.61Å; P34-Y72 HydrophobicContact CG-CD2 3.84Å; P34-Y72 HydrophobicContact CG-CE2 4.25Å; P34-Y72 HydrophobicContact CG-CG 4.17Å; P34-Y72 WeakPolarHBondContact O-CE1 3.28Å; P34-Y72 VanDerWaalsContact O-CZ 3.26Å; P34-Y72 PolarHBondContact O-OH 3.15Å; F36-Y72 AromaticContact CD2-CD1 3.91Å; F36-Y72 HydrophobicContact CD2-CD1 3.91Å; F36-Y72 HydrophobicContact CD2-CE1 4.17Å; F36-Y72 AromaticContact CE2-CD1 3.49Å; F36-Y72 HydrophobicContact CE2-CD1 3.49Å; F36-Y72 VanDerWaalsContact CE2-CD1 3.49Å; F36-Y72 HydrophobicContact CE2-CE1 4.14Å; F36-Y72 HydrophobicContact CE2-CG 4.45Å; F36-Y72 HydrophobicContact CZ-CD1 4.13Å; F36-Y72 WeakPolarHBondContact CZ-O 3.37Å; F58-Y72 HydrophobicContact CE2-CD1 4.44Å; F58-Y72 HydrophobicContact CE2-CG 4.44Å; M68-Y72 WeakPolarHBondContact O-CD2 3.34Å; M68-Y72 PolarHBondContact O-N 2.95Å; Y72-G74 VanDerWaalsContact C-N 3.29Å; Y72-G74 PolarHBondContact O-N 3.34Å; Y72-S75 CarbonylContact O-C 3.6Å; Y72-S75 WeakPolarHBondContact O-CA 3.2Å; Y72-S75 PolarHBondContact O-N 3.31Å; Y72-L76 PolarHBondContact O-N 3.37Å; Y72-L76 VanDerWaalsContact O-N 3.1Å
73	A	92.9	Very high	91.4	Very high	52 Å²	52	61.2 Å²	61.2	43%	0.43	38%	0.378	S	S	.	.	H	α-helix	trans	-59.2	-40.8	177.5	0	0	0	0	0	112	F58 Q69 S75 L76	F58-A73 HydrophobicContact CE1-CB 4.35Å; F58-A73 HydrophobicContact CZ-CB 4.46Å; Q69-A73 WeakPolarHBondContact O-CB 3.41Å; Q69-A73 PolarHBondContact O-N 3.3Å; A73-S75 PolarHBondContact O-N 2.88Å; A73-L76 WeakPolarHBondContact O-CB 3.05Å; A73-L76 PolarHBondContact O-N 3.5Å
74	G	93.8	Very high	91.6	Very high	63 Å²	63	69.1 Å²	69.1	65%	0.649	39%	0.391	S	S	*	.	H	α-helix	trans	-64.2	-24.8	174.6	0	0	0	0	0	114	M70 Y72	M70-G74 PolarHBondContact O-N 2.89Å; Y72-G74 VanDerWaalsContact C-N 3.29Å; Y72-G74 PolarHBondContact O-N 3.34Å
75	S	92.3	Very high	91.8	Very high	27 Å²	27	69.2 Å²	69.2	19%	0.189	39%	0.391	C	S	.	.	H	α-helix	trans	-91.6	-11.7	-179.7	-57	0	0	0	0	113.7	L5 L71 Y72 A73 N77 L78 V79	L5-S75 WeakPolarHBondContact CD2-OG 3.49Å; L71-S75 WeakPolarHBondContact O-CB 3.22Å; L71-S75 PolarHBondContact O-N 3.2Å; L71-S75 VanDerWaalsContact O-N 3.16Å; L71-S75 PolarHBondContact O-OG 3.14Å; Y72-S75 CarbonylContact O-C 3.6Å; Y72-S75 WeakPolarHBondContact O-CA 3.2Å; Y72-S75 PolarHBondContact O-N 3.31Å; A73-S75 PolarHBondContact O-N 2.88Å; S75-N77 VanDerWaalsContact C-N 3.34Å; S75-N77 PolarHBondContact O-N 2.82Å; S75-L78 WeakPolarHBondContact O-CB 3.45Å; S75-L78 PolarHBondContact O-N 2.72Å; S75-L78 VanDerWaalsContact O-N 3.09Å; S75-V79 WeakPolarHBondContact O-CG2 3.5Å; S75-V79 PolarHBondContact O-N 3.21Å
76	L	93.4	Very high	91.7	Very high	13 Å²	13	74 Å²	74	7%	0.068	41%	0.408	C	S	.	.	H	α-helix	trans	-55.1	-46.5	-176.6	171.8	62.5	0	0	0	112.5	F36 F58 Y72 A73 L78 V79 L80 Y88	F36-L76 HydrophobicContact CD1-CD1 4.38Å; F36-L76 HydrophobicContact CE1-CB 4.17Å; F36-L76 HydrophobicContact CE1-CD1 3.67Å; F36-L76 HydrophobicContact CZ-CB 4.15Å; F36-L76 HydrophobicContact CZ-CD1 4.46Å; F58-L76 HydrophobicContact CB-CD1 4.41Å; F58-L76 HydrophobicContact CD1-CD2 4.42Å; Y72-L76 PolarHBondContact O-N 3.37Å; Y72-L76 VanDerWaalsContact O-N 3.1Å; A73-L76 WeakPolarHBondContact O-CB 3.05Å; A73-L76 PolarHBondContact O-N 3.5Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 3.17Å; L76-V79 WeakPolarHBondContact O-CB 3.35Å; L76-V79 PolarHBondContact O-N 3.38Å; L76-V79 VanDerWaalsContact O-N 3.12Å; L76-L80 HydrophobicContact CD1-CD1 4.09Å; L76-L80 HydrophobicContact CD1-CD2 4.39Å; L76-L80 HydrophobicContact CD1-CG 4.05Å; L76-L80 HydrophobicContact CG-CD1 4.11Å; L76-L80 HydrophobicContact CG-CG 4.45Å; L76-L80 WeakPolarHBondContact O-CG 3.45Å; L76-L80 PolarHBondContact O-N 3.09Å; L76-Y88 HydrophobicContact CD1-CD2 4.12Å; L76-Y88 HydrophobicContact CD1-CE2 4.46Å; L76-Y88 HydrophobicContact CD1-CG 4.21Å; L76-Y88 HydrophobicContact CD2-CD2 4.04Å; L76-Y88 HydrophobicContact CD2-CE1 4.15Å; L76-Y88 HydrophobicContact CD2-CE2 3.54Å
77	N	93.4	Very high	91.6	Very high	125 Å²	125	74.3 Å²	74.3	67%	0.668	39%	0.394	S	S	*	.	H	α-helix	trans	-62.4	-36.7	179.5	-75.1	-25.9	0	0	0	112.7	S75 L80 C81	S75-N77 VanDerWaalsContact C-N 3.34Å; S75-N77 PolarHBondContact O-N 2.82Å; N77-L80 PolarHBondContact O-N 3.06Å; N77-C81 VanDerWaalsContact O-CB 3.32Å; N77-C81 WeakPolarHBondContact O-CB 3.45Å; N77-C81 PolarHBondContact O-N 3.06Å
78	L	92.3	Very high	91.8	Very high	107 Å²	107	75.6 Å²	75.6	56%	0.56	39%	0.391	S	S	*	.	H	α-helix	trans	-64.6	-45.4	174.6	180	66.3	0	0	0	110.1	S75 L76 L80 C81 E82	S75-L78 WeakPolarHBondContact O-CB 3.45Å; S75-L78 PolarHBondContact O-N 2.72Å; S75-L78 VanDerWaalsContact O-N 3.09Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 3.17Å; L78-L80 VanDerWaalsContact C-N 3.35Å; L78-L80 PolarHBondContact O-N 3.3Å; L78-C81 PolarHBondContact O-N 3.25Å; L78-E82 HydrophobicContact CD1-CG 4.03Å; L78-E82 HydrophobicContact CG-CG 4.32Å; L78-E82 WeakPolarHBondContact O-CB 3.11Å; L78-E82 WeakPolarHBondContact O-CG 3.28Å; L78-E82 PolarHBondContact O-N 3.14Å
79	V	91.2	Very high	92	Very high	5 Å²	5	74.1 Å²	74.1	3%	0.03	38%	0.384	C	S	.	.	H	α-helix	trans	-59	-44.4	176.9	170.9	0	0	0	0	111.7	V7 F9 F36 V56 S75 L76 S83	V7-V79 HydrophobicContact CG1-CG2 3.92Å; F9-V79 HydrophobicContact CE1-CG1 3.85Å; F9-V79 HydrophobicContact CZ-CG1 4.2Å; F36-V79 HydrophobicContact CB-CG1 4.3Å; F36-V79 HydrophobicContact CD1-CG1 4.22Å; F36-V79 HydrophobicContact CD2-CG1 4.46Å; F36-V79 HydrophobicContact CD2-CG2 3.76Å; F36-V79 HydrophobicContact CE2-CG2 3.73Å; F36-V79 HydrophobicContact CG-CG1 4.08Å; F36-V79 HydrophobicContact CG-CG2 4.2Å; F36-V79 HydrophobicContact CZ-CG2 4.19Å; V56-V79 HydrophobicContact CG1-CG1 4.25Å; S75-V79 WeakPolarHBondContact O-CG2 3.5Å; S75-V79 PolarHBondContact O-N 3.21Å; L76-V79 WeakPolarHBondContact O-CB 3.35Å; L76-V79 PolarHBondContact O-N 3.38Å; L76-V79 VanDerWaalsContact O-N 3.12Å; V79-S83 WeakPolarHBondContact O-CB 3.25Å; V79-S83 PolarHBondContact O-N 3.04Å; V79-S83 PolarHBondContact O-OG 3.32Å
80	L	92.9	Very high	92.3	Very high	17 Å²	17	75.6 Å²	75.6	9%	0.089	39%	0.391	C	S	.	.	H	α-helix	trans	-64.3	-41.3	176.5	-65.7	175.4	0	0	0	112.1	V56 L76 N77 L78 S83 R84 I85 Y88	V56-L80 HydrophobicContact CB-CD2 3.95Å; V56-L80 HydrophobicContact CG1-CD2 4.28Å; V56-L80 HydrophobicContact CG2-CD2 3.98Å; L76-L80 HydrophobicContact CD1-CD1 4.09Å; L76-L80 HydrophobicContact CD1-CD2 4.39Å; L76-L80 HydrophobicContact CD1-CG 4.05Å; L76-L80 HydrophobicContact CG-CD1 4.11Å; L76-L80 HydrophobicContact CG-CG 4.45Å; L76-L80 WeakPolarHBondContact O-CG 3.45Å; L76-L80 PolarHBondContact O-N 3.09Å; N77-L80 PolarHBondContact O-N 3.06Å; L78-L80 VanDerWaalsContact C-N 3.35Å; L78-L80 PolarHBondContact O-N 3.3Å; L80-S83 PolarHBondContact O-OG 2.99Å; L80-R84 PolarHBondContact O-N 2.72Å; L80-I85 WeakPolarHBondContact CB-O 3.34Å; L80-I85 WeakPolarHBondContact CD2-O 3.49Å; L80-I85 PolarHBondContact O-N 3.35Å; L80-I85 VanDerWaalsContact O-N 3.09Å; L80-Y88 HydrophobicContact CD1-CD1 3.65Å; L80-Y88 HydrophobicContact CD1-CE1 4.06Å; L80-Y88 HydrophobicContact CD1-CG 4.38Å; L80-Y88 HydrophobicContact CD2-CD1 4.24Å; L80-Y88 HydrophobicContact CD2-CG 4.36Å
81	C	91.5	Very high	92.4	Very high	92 Å²	92	69.4 Å²	69.4	62%	0.622	36%	0.361	S	S	*	.	H	α-helix	trans	-65.5	-50.4	178.7	-168.2	0	0	0	0	111.9	N77 L78 R84	N77-C81 VanDerWaalsContact O-CB 3.32Å; N77-C81 WeakPolarHBondContact O-CB 3.45Å; N77-C81 PolarHBondContact O-N 3.06Å; L78-C81 PolarHBondContact O-N 3.25Å; C81-R84 PolarHBondContact O-N 2.93Å; C81-R84 VanDerWaalsContact O-N 3.14Å
82	E	90.2	Very high	92.4	Very high	140 Å²	140	69.6 Å²	69.6	65%	0.654	36%	0.358	S	S	*	.	H	α-helix	trans	-67.1	-38.9	-178.8	-69.7	-59.1	136.7	0	0	112.2	L78 R84	L78-E82 HydrophobicContact CD1-CG 4.03Å; L78-E82 HydrophobicContact CG-CG 4.32Å; L78-E82 WeakPolarHBondContact O-CB 3.11Å; L78-E82 WeakPolarHBondContact O-CG 3.28Å; L78-E82 PolarHBondContact O-N 3.14Å; E82-R84 PolarHBondContact O-N 3.13Å
83	S	88.3	Confident	92.4	Very high	29 Å²	29	73.5 Å²	73.5	20%	0.203	38%	0.376	C	S	.	.	H	α-helix	trans	-74.6	-12.5	175.1	64.3	0	0	0	0	113.7	V79 L80 I85	V79-S83 WeakPolarHBondContact O-CB 3.25Å; V79-S83 PolarHBondContact O-N 3.04Å; V79-S83 PolarHBondContact O-OG 3.32Å; L80-S83 PolarHBondContact O-OG 2.99Å; S83-I85 PolarHBondContact O-N 3.11Å
84	R	91.3	Very high	92.4	Very high	219 Å²	219	72.6 Å²	72.6	83%	0.826	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	32	-172.9	-53.2	-178.3	177.3	-158.9	-1.8	113.4	L80 C81 E82	L80-R84 PolarHBondContact O-N 2.72Å; C81-R84 PolarHBondContact O-N 2.93Å; C81-R84 VanDerWaalsContact O-N 3.14Å; E82-R84 PolarHBondContact O-N 3.13Å
85	I	91.1	Very high	92.3	Very high	12 Å²	12	76.2 Å²	76.2	6%	0.062	36%	0.364	C	S	.	.			trans	-113.7	129.2	179.8	-64.9	163.4	0	0	0	108.6	L38 L54 V56 L80 S83 K87	L38-I85 HydrophobicContact CD1-CD1 3.14Å; L38-I85 HydrophobicContact CG-CD1 4.48Å; L54-I85 HydrophobicContact CB-CD1 3.59Å; L54-I85 HydrophobicContact CB-CG1 4.01Å; L54-I85 HydrophobicContact CD1-CD1 4.07Å; L54-I85 HydrophobicContact CD1-CG1 4.39Å; L54-I85 HydrophobicContact CG-CD1 4.47Å; V56-I85 HydrophobicContact CG2-CB 4.12Å; V56-I85 HydrophobicContact CG2-CD1 3.98Å; V56-I85 HydrophobicContact CG2-CG2 4.04Å; L80-I85 WeakPolarHBondContact CB-O 3.34Å; L80-I85 WeakPolarHBondContact CD2-O 3.49Å; L80-I85 PolarHBondContact O-N 3.35Å; L80-I85 VanDerWaalsContact O-N 3.09Å; S83-I85 PolarHBondContact O-N 3.11Å; I85-K87 WeakPolarHBondContact CG2-O 3.11Å
86	H	88.7	Confident	92.4	Very high	177 Å²	177	78.6 Å²	78.6	82%	0.819	37%	0.372	S	S	*	.			trans	-97.5	-13.7	-180	-60	-61.4	0	0	0	113.6
87	K	90.6	Very high	92.3	Very high	84 Å²	84	78 Å²	78	37%	0.365	37%	0.369	S	S	.	.			trans	-102.3	130	-178.7	-70.4	-170.7	169.8	-161.7	0	110.4	L55 V56 I85 S105 N107	L55-K87 HydrophobicContact CD1-CB 4.11Å; V56-K87 PolarHBondContact N-O 3.29Å; I85-K87 WeakPolarHBondContact CG2-O 3.11Å; K87-S105 PolarHBondContact NZ-O 3.5Å; K87-N107 PolarHBondContact NZ-ND2 2.86Å
88	Y	94.9	Very high	92.2	Very high	103 Å²	103	74.2 Å²	74.2	40%	0.404	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	160.4	170.7	78	-82.3	0	0	0	111.4	V56 L76 L80	V56-Y88 CarbonylContact O-C 3.55Å; V56-Y88 WeakPolarHBondContact O-CA 3.47Å; V56-Y88 WeakPolarHBondContact O-CB 3.34Å; L76-Y88 HydrophobicContact CD1-CD2 4.12Å; L76-Y88 HydrophobicContact CD1-CE2 4.46Å; L76-Y88 HydrophobicContact CD1-CG 4.21Å; L76-Y88 HydrophobicContact CD2-CD2 4.04Å; L76-Y88 HydrophobicContact CD2-CE1 4.15Å; L76-Y88 HydrophobicContact CD2-CE2 3.54Å; L80-Y88 HydrophobicContact CD1-CD1 3.65Å; L80-Y88 HydrophobicContact CD1-CE1 4.06Å; L80-Y88 HydrophobicContact CD1-CG 4.38Å; L80-Y88 HydrophobicContact CD2-CD1 4.24Å; L80-Y88 HydrophobicContact CD2-CG 4.36Å
89	I	95.4	Very high	92.1	Very high	28 Å²	28	73.8 Å²	73.8	14%	0.144	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.8	164.7	54.1	177	0	0	0	110.1	L55 V56 I57 F58 V91 S105	L55-I89 HydrophobicContact CD2-CD1 4.04Å; L55-I89 HydrophobicContact CD2-CG1 4.13Å; V56-I89 PolarHBondContact O-N 2.7Å; I57-I89 HydrophobicContact CB-CG1 4.4Å; I57-I89 HydrophobicContact CG1-CD1 4.19Å; I57-I89 HydrophobicContact CG1-CG1 4.02Å; I57-I89 HydrophobicContact CG2-CG1 4.32Å; F58-I89 PolarHBondContact N-O 2.91Å; I89-V91 HydrophobicContact CD1-CG2 4.04Å; I89-V91 HydrophobicContact CG1-CG2 4.26Å; I89-S105 WeakPolarHBondContact CG2-OG 3.47Å
90	E	95.5	Very high	92.1	Very high	89 Å²	89	77.8 Å²	77.8	42%	0.416	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131	165.8	-173.5	-179	161.7	0	0	108.5	F58 R92	F58-E90 HydrophobicContact CD1-CB 4.38Å; F58-E90 HydrophobicContact CD1-CG 3.89Å; F58-E90 HydrophobicContact CE1-CG 4.37Å; F58-E90 CarbonylContact O-C 3.49Å; F58-E90 WeakPolarHBondContact O-CA 3.22Å; E90-R92 HydrophobicContact CG-CG 4.38Å; E90-R92 IonicContact OE1-NH1 2.95Å; E90-R92 PolarHBondContact OE1-NH1 2.86Å
91	V	94.6	Very high	92	Very high	4 Å²	4	78.2 Å²	78.2	2%	0.024	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.8	178.1	171.6	0	0	0	0	107.1	I57 F58 F59 S60 I89 E93 E96 L97	I57-V91 HydrophobicContact CG2-CB 4.24Å; I57-V91 HydrophobicContact CG2-CG2 3.82Å; F58-V91 PolarHBondContact O-N 3.12Å; F59-V91 CarbonylContact C-O 3.6Å; F59-V91 WeakPolarHBondContact CA-O 3.32Å; F59-V91 HydrophobicContact CD2-CB 4.19Å; F59-V91 HydrophobicContact CD2-CG1 3.8Å; F59-V91 WeakPolarHBondContact CD2-O 2.97Å; F59-V91 HydrophobicContact CE2-CG1 4.24Å; S60-V91 PolarHBondContact N-O 2.95Å; I89-V91 HydrophobicContact CD1-CG2 4.04Å; I89-V91 HydrophobicContact CG1-CG2 4.26Å; V91-E93 WeakPolarHBondContact CG1-O 3.42Å; V91-E96 HydrophobicContact CG1-CB 4.16Å; V91-L97 HydrophobicContact CG1-CB 3.94Å; V91-L97 HydrophobicContact CG2-CB 4.47Å; V91-L97 HydrophobicContact CG2-CD1 4.38Å
92	R	93.8	Very high	92	Very high	62 Å²	62	73.9 Å²	73.9	23%	0.234	35%	0.349	C	S	.	.	S	Bend	trans	-106.5	-18.8	-176.8	-58	-173.5	64.3	81.9	6.5	112.7	P61 Y62 E90 E96	P61-R92 VanDerWaalsContact CA-O 3.32Å; P61-R92 WeakPolarHBondContact CA-O 3.32Å; Y62-R92 HydrophobicContact CD2-CB 4.26Å; Y62-R92 VanDerWaalsContact CE1-NH2 3.3Å; Y62-R92 HydrophobicContact CE2-CB 3.81Å; Y62-R92 VanDerWaalsContact CZ-NE 3.33Å; Y62-R92 PolarHBondContact OH-NE 2.7Å; E90-R92 HydrophobicContact CG-CG 4.38Å; E90-R92 IonicContact OE1-NH1 2.95Å; E90-R92 PolarHBondContact OE1-NH1 2.86Å; R92-E96 PolarHBondContact N-OE2 2.9Å
93	E	93.3	Very high	92	Very high	96 Å²	96	69 Å²	69	45%	0.449	33%	0.327	S	S	.	.	S	Bend	trans	-135.9	144.8	176.1	-62.5	-176.6	114	0	0	109.5	Y62 V91 E95 E96	Y62-E93 HydrophobicContact CD2-CG 3.77Å; Y62-E93 HydrophobicContact CE2-CG 3.7Å; V91-E93 WeakPolarHBondContact CG1-O 3.42Å; E93-E95 PolarHBondContact O-N 3.12Å; E93-E96 HydrophobicContact CB-CG 4.21Å; E93-E96 PolarHBondContact N-OE2 3.31Å; E93-E96 WeakPolarHBondContact O-CB 3.5Å; E93-E96 PolarHBondContact O-N 3.3Å
94	L	91.3	Very high	92.1	Very high	32 Å²	32	74.2 Å²	74.2	17%	0.168	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-62.7	-29.3	-176.6	-69.4	176	0	0	0	111.6	R26 L29 F59 E96 L97	R26-L94 HydrophobicContact CB-CB 4.5Å; R26-L94 HydrophobicContact CB-CD2 4.31Å; R26-L94 HydrophobicContact CG-CB 4.25Å; R26-L94 HydrophobicContact CG-CD2 4.37Å; R26-L94 PolarHBondContact NE-O 3.22Å; R26-L94 PolarHBondContact NH2-O 3.46Å; L29-L94 HydrophobicContact CB-CD2 3.99Å; L29-L94 HydrophobicContact CD1-CD2 3.97Å; F59-L94 HydrophobicContact CD2-CD2 4.44Å; F59-L94 HydrophobicContact CE1-CD2 4.21Å; F59-L94 HydrophobicContact CE2-CD2 3.71Å; F59-L94 HydrophobicContact CE2-CG 4.19Å; F59-L94 HydrophobicContact CZ-CD2 3.57Å; F59-L94 HydrophobicContact CZ-CG 3.97Å; L94-E96 VanDerWaalsContact C-N 3.25Å; L94-E96 PolarHBondContact O-N 3.2Å; L94-L97 WeakPolarHBondContact O-CB 3.1Å; L94-L97 PolarHBondContact O-N 3.19Å; L94-L97 VanDerWaalsContact O-N 3.14Å
95	E	92.3	Very high	92.1	Very high	140 Å²	140	65.3 Å²	65.3	65%	0.654	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-61.8	-31.4	176.3	-66.8	72.6	-163.2	0	0	112.3	R26 E93 L97 T98	R26-E95 PolarHBondContact NH2-O 3.31Å; E93-E95 PolarHBondContact O-N 3.12Å; E95-L97 VanDerWaalsContact C-N 3.3Å; E95-L97 PolarHBondContact O-N 3.06Å; E95-T98 VanDerWaalsContact O-CG2 3.28Å; E95-T98 WeakPolarHBondContact O-CG2 3.1Å
96	E	93.7	Very high	92	Very high	77 Å²	77	65.5 Å²	65.5	36%	0.36	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-72.3	-25	177.1	-61.6	174	161.2	0	0	112.2	V91 R92 E93 L94 T98 S101	V91-E96 HydrophobicContact CG1-CB 4.16Å; R92-E96 PolarHBondContact N-OE2 2.9Å; E93-E96 HydrophobicContact CB-CG 4.21Å; E93-E96 PolarHBondContact N-OE2 3.31Å; E93-E96 WeakPolarHBondContact O-CB 3.5Å; E93-E96 PolarHBondContact O-N 3.3Å; L94-E96 VanDerWaalsContact C-N 3.25Å; L94-E96 PolarHBondContact O-N 3.2Å; E96-T98 PolarHBondContact O-N 3.05Å; E96-S101 PolarHBondContact O-OG 3.07Å
97	L	92	Very high	91.7	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.313	C	S	.	.			trans	-77.9	82.6	178.5	-178.3	59.3	0	0	0	110.3	I22 L25 R26 L29 I57 V91 L94 E95 I102	I22-L97 WeakPolarHBondContact CG2-O 3.41Å; L25-L97 HydrophobicContact CD2-CD2 3.92Å; L25-L97 HydrophobicContact CG-CD2 4.1Å; R26-L97 HydrophobicContact CG-CD2 4.22Å; R26-L97 PolarHBondContact NE-O 2.77Å; R26-L97 PolarHBondContact NH2-O 2.78Å; L29-L97 HydrophobicContact CD1-CD2 3.89Å; I57-L97 HydrophobicContact CD1-CD1 3.68Å; I57-L97 HydrophobicContact CG1-CD1 4.4Å; I57-L97 HydrophobicContact CG2-CD1 4.31Å; V91-L97 HydrophobicContact CG1-CB 3.94Å; V91-L97 HydrophobicContact CG2-CB 4.47Å; V91-L97 HydrophobicContact CG2-CD1 4.38Å; L94-L97 WeakPolarHBondContact O-CB 3.1Å; L94-L97 PolarHBondContact O-N 3.19Å; L94-L97 VanDerWaalsContact O-N 3.14Å; E95-L97 VanDerWaalsContact C-N 3.3Å; E95-L97 PolarHBondContact O-N 3.06Å; L97-I102 HydrophobicContact CD1-CD1 4.02Å; L97-I102 HydrophobicContact CD1-CG1 4.37Å
98	T	92.3	Very high	90.6	Very high	46 Å²	46	60.8 Å²	60.8	28%	0.282	31%	0.308	S	S	.	.			trans	-114.3	164	-177.8	60.5	0	0	0	0	111	R26 E95 E96 S100 S101 I102	R26-T98 VanDerWaalsContact NH2-CG2 3.35Å; E95-T98 VanDerWaalsContact O-CG2 3.28Å; E95-T98 WeakPolarHBondContact O-CG2 3.1Å; E96-T98 PolarHBondContact O-N 3.05Å; T98-S100 PolarHBondContact O-N 2.78Å; T98-S101 PolarHBondContact N-OG 2.89Å; T98-S101 PolarHBondContact O-N 3.39Å; T98-S101 PolarHBondContact O-OG 2.81Å; T98-S101 VanDerWaalsContact O-OG 3.12Å; T98-S101 PolarHBondContact OG1-N 3.2Å; T98-S101 PolarHBondContact OG1-OG 2.89Å; T98-I102 WeakPolarHBondContact O-CD1 3.3Å; T98-I102 WeakPolarHBondContact O-CG1 3.35Å; T98-I102 PolarHBondContact O-N 3.19Å
99	E	89.2	Confident	88.5	Confident	97 Å²	97	66.3 Å²	66.3	45%	0.453	34%	0.342	S	S	.	.	H	α-helix	trans	-57.6	-41.1	169.9	-67.8	-165.4	165.6	0	0	111.5	I22 I102 D103	I22-E99 HydrophobicContact CB-CG 4.45Å; I22-E99 HydrophobicContact CG1-CG 3.51Å; E99-I102 PolarHBondContact O-N 3.4Å; E99-D103 WeakPolarHBondContact O-CB 3.42Å; E99-D103 PolarHBondContact O-N 3.26Å
100	S	91	Very high	88.2	Confident	89 Å²	89	68.2 Å²	68.2	62%	0.622	35%	0.352	S	S	*	.	H	α-helix	trans	-63.6	-42.6	179.9	-52.9	0	0	0	0	112.9	T98 I102 D103 E104	T98-S100 PolarHBondContact O-N 2.78Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.13Å; S100-D103 PolarHBondContact O-N 3Å; S100-E104 WeakPolarHBondContact O-CB 3.2Å; S100-E104 PolarHBondContact O-N 3.22Å
101	S	92	Very high	87.8	Confident	27 Å²	27	67.1 Å²	67.1	19%	0.189	35%	0.349	C	S	.	.	H	α-helix	trans	-67.8	-33.4	178.3	62.3	0	0	0	0	112.2	E96 T98 S105	E96-S101 PolarHBondContact O-OG 3.07Å; T98-S101 PolarHBondContact N-OG 2.89Å; T98-S101 PolarHBondContact O-N 3.39Å; T98-S101 PolarHBondContact O-OG 2.81Å; T98-S101 VanDerWaalsContact O-OG 3.12Å; T98-S101 PolarHBondContact OG1-N 3.2Å; T98-S101 PolarHBondContact OG1-OG 2.89Å; S101-S105 WeakPolarHBondContact O-CB 3.41Å; S101-S105 PolarHBondContact O-N 3.4Å; S101-S105 PolarHBondContact O-OG 2.91Å
102	I	90.5	Very high	87.5	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-67.1	-46.8	172.1	-72.3	163.4	0	0	0	111.1	I22 L39 L55 L97 T98 E99 S100 S105 L106	I22-I102 HydrophobicContact CD1-CD1 3.24Å; I22-I102 HydrophobicContact CG1-CD1 4.45Å; L39-I102 HydrophobicContact CD2-CB 4.34Å; L39-I102 HydrophobicContact CD2-CD1 3.74Å; L39-I102 HydrophobicContact CD2-CG1 3.92Å; L39-I102 HydrophobicContact CD2-CG2 3.48Å; L39-I102 VanDerWaalsContact CD2-CG2 3.48Å; L55-I102 HydrophobicContact CD2-CG1 4.43Å; L55-I102 HydrophobicContact CD2-CG2 4.42Å; L97-I102 HydrophobicContact CD1-CD1 4.02Å; L97-I102 HydrophobicContact CD1-CG1 4.37Å; T98-I102 WeakPolarHBondContact O-CD1 3.3Å; T98-I102 WeakPolarHBondContact O-CG1 3.35Å; T98-I102 PolarHBondContact O-N 3.19Å; E99-I102 PolarHBondContact O-N 3.4Å; S100-I102 VanDerWaalsContact C-N 3.31Å; S100-I102 PolarHBondContact O-N 3.13Å; I102-S105 WeakPolarHBondContact O-CB 3.34Å; I102-S105 PolarHBondContact O-N 3.25Å; I102-L106 HydrophobicContact CG2-CD1 3.86Å; I102-L106 HydrophobicContact CG2-CG 4.49Å; I102-L106 WeakPolarHBondContact O-CB 3.45Å; I102-L106 WeakPolarHBondContact O-CG 3.39Å; I102-L106 PolarHBondContact O-N 3.08Å
103	D	89.8	Confident	87.1	Confident	37 Å²	37	71.1 Å²	71.1	20%	0.198	38%	0.375	C	S	.	.	H	α-helix	trans	-64	-42.5	-178.9	-77.2	-25.7	0	0	0	111.9	R41 E99 S100 S105 L106 N107 C108	R41-D103 IonicContact CZ-OD1 3.18Å; R41-D103 IonicContact CZ-OD2 3.73Å; R41-D103 IonicContact NE-OD1 2.7Å; R41-D103 PolarHBondContact NE-OD1 2.87Å; R41-D103 IonicContact NH2-OD1 2.96Å; R41-D103 PolarHBondContact NH2-OD1 3.38Å; R41-D103 IonicContact NH2-OD2 2.78Å; R41-D103 PolarHBondContact NH2-OD2 3.33Å; E99-D103 WeakPolarHBondContact O-CB 3.42Å; E99-D103 PolarHBondContact O-N 3.26Å; S100-D103 PolarHBondContact O-N 3Å; D103-S105 VanDerWaalsContact C-N 3.31Å; D103-S105 PolarHBondContact O-N 2.96Å; D103-L106 PolarHBondContact O-N 3.06Å; D103-N107 PolarHBondContact O-N 2.81Å; D103-C108 HydrophobicContact CB-CB 3.93Å; D103-C108 WeakPolarHBondContact O-CB 3.47Å; D103-C108 PolarHBondContact O-N 3.21Å
104	E	91.5	Very high	86.7	Confident	140 Å²	140	69.6 Å²	69.6	65%	0.654	37%	0.37	S	S	*	.	H	α-helix	trans	-56.6	-46.1	173.1	-176.1	174.6	-167.2	0	0	111.2	S100 L106 N107	S100-E104 WeakPolarHBondContact O-CB 3.2Å; S100-E104 PolarHBondContact O-N 3.22Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.26Å; E104-N107 PolarHBondContact O-N 3.2Å; E104-N107 VanDerWaalsContact O-N 3.13Å
105	S	91.2	Very high	86.4	Confident	31 Å²	31	72.1 Å²	72.1	22%	0.217	38%	0.384	C	S	.	.	H	α-helix	trans	-67.2	-32	-178.6	-57.7	0	0	0	0	113.5	K87 I89 S101 I102 D103 N107	K87-S105 PolarHBondContact NZ-O 3.5Å; I89-S105 WeakPolarHBondContact CG2-OG 3.47Å; S101-S105 WeakPolarHBondContact O-CB 3.41Å; S101-S105 PolarHBondContact O-N 3.4Å; S101-S105 PolarHBondContact O-OG 2.91Å; I102-S105 WeakPolarHBondContact O-CB 3.34Å; I102-S105 PolarHBondContact O-N 3.25Å; D103-S105 VanDerWaalsContact C-N 3.31Å; D103-S105 PolarHBondContact O-N 2.96Å; S105-N107 VanDerWaalsContact C-N 3.26Å
106	L	89	Confident	86	Confident	17 Å²	17	67.2 Å²	67.2	9%	0.089	36%	0.364	C	S	.	.	H	α-helix	trans	-83.1	-3.4	178	-70.2	179	0	0	0	113	R41 P53 L55 I102 D103 E104 C108	R41-L106 HydrophobicContact CB-CD1 3.82Å; R41-L106 HydrophobicContact CG-CD1 4.3Å; P53-L106 HydrophobicContact CB-CD1 4.34Å; P53-L106 HydrophobicContact CB-CD2 3.75Å; P53-L106 HydrophobicContact CG-CD1 3.84Å; P53-L106 HydrophobicContact CG-CD2 4.18Å; P53-L106 HydrophobicContact CG-CG 4.47Å; L55-L106 HydrophobicContact CB-CD2 3.93Å; I102-L106 HydrophobicContact CG2-CD1 3.86Å; I102-L106 HydrophobicContact CG2-CG 4.49Å; I102-L106 WeakPolarHBondContact O-CB 3.45Å; I102-L106 WeakPolarHBondContact O-CG 3.39Å; I102-L106 PolarHBondContact O-N 3.08Å; D103-L106 PolarHBondContact O-N 3.06Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.26Å; L106-C108 VanDerWaalsContact C-N 3.3Å; L106-C108 WeakPolarHBondContact CB-SG 3.16Å
107	N	81.6	Confident	85.4	Confident	123 Å²	123	66.5 Å²	66.5	66%	0.658	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	37.4	-172	-51.7	-19.7	0	0	0	112.2	K87 D103 E104 S105 I109	K87-N107 PolarHBondContact NZ-ND2 2.86Å; D103-N107 PolarHBondContact O-N 2.81Å; E104-N107 PolarHBondContact O-N 3.2Å; E104-N107 VanDerWaalsContact O-N 3.13Å; S105-N107 VanDerWaalsContact C-N 3.26Å; N107-I109 VanDerWaalsContact C-N 3.31Å; N107-I109 PolarHBondContact O-N 3.03Å
108	C	67	Low	84.8	Confident	38 Å²	38	72 Å²	72	26%	0.257	40%	0.395	S	S	.	.			trans	-85.6	68.8	175.2	-53.8	0	0	0	0	110.2	L43 D103 L106	L43-C108 WeakPolarHBondContact CD1-SG 3.32Å; L43-C108 HydrophobicContact CD2-CB 4.36Å; L43-C108 WeakPolarHBondContact CD2-SG 3.1Å; D103-C108 HydrophobicContact CB-CB 3.93Å; D103-C108 WeakPolarHBondContact O-CB 3.47Å; D103-C108 PolarHBondContact O-N 3.21Å; L106-C108 VanDerWaalsContact C-N 3.3Å; L106-C108 WeakPolarHBondContact CB-SG 3.16Å
109	I	52.8	Low	84.1	Confident	219 Å²	219	74.4 Å²	74.4	100%	1.123	41%	0.405	S	S	*	.			trans	-139.4	0	169.5	-45.1	176.5	0	0	0	108.7	N107	N107-I109 VanDerWaalsContact C-N 3.31Å; N107-I109 PolarHBondContact O-N 3.03Å

Retrieved 109 of 109 residues in 596.9 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).