A0A077Z9D6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z9D6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52.8	Low	45.5	Very low	221 Å²	221	142 Å²	142	100%	1.089	66%	0.656	S	S	*	*				0	-34.4	0	-79.3	-161.2	-73.6	0	0	112.6	R3 R4 S5	M1-R3 PolarHBondContact O-N 3.3Å; M1-R4 PolarHBondContact O-N 3.41Å; M1-S5 PolarHBondContact O-N 3.33Å
2	E	50.5	Low	44.4	Very low	166 Å²	166	140.6 Å²	140.6	78%	0.776	66%	0.656	S	S	*	*	H	α-helix	trans	-55.9	-41.4	-176.7	-67.2	167.5	162.6	0	0	114.6	R4 S5 S6	E2-R4 PolarHBondContact O-N 3.09Å; E2-S5 WeakPolarHBondContact O-CB 3.45Å; E2-S5 PolarHBondContact O-N 3.12Å; E2-S5 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-N 2.95Å; E2-S6 PolarHBondContact O-OG 3.12Å; E2-S6 VanDerWaalsContact O-OG 3.12Å
3	R	49.2	Very low	44.1	Very low	219 Å²	219	141.5 Å²	141.5	83%	0.826	66%	0.66	S	S	*	*	H	α-helix	trans	-62.1	-37.3	-177.8	-150.7	174.2	-177.9	176.4	0.5	114.1	M1 E7	M1-R3 PolarHBondContact O-N 3.3Å; R3-E7 PolarHBondContact O-N 3.23Å
4	R	39.1	Very low	43.5	Very low	206 Å²	206	136.1 Å²	136.1	78%	0.777	64%	0.638	S	S	*	*	H	α-helix	trans	-71.9	-34.2	175.2	-107.2	-177.4	176.9	178.4	-1.2	111.7	M1 E2 L8	M1-R4 PolarHBondContact O-N 3.41Å; E2-R4 PolarHBondContact O-N 3.09Å; R4-L8 WeakPolarHBondContact O-CB 3.45Å; R4-L8 PolarHBondContact O-N 3.33Å; R4-L8 VanDerWaalsContact O-N 3.12Å
5	S	42.7	Very low	42.5	Very low	70 Å²	70	132.6 Å²	132.6	49%	0.49	63%	0.632	S	S	.	*	H	α-helix	trans	-69.9	-39	177.6	-147.9	0	0	0	0	111.4	M1 E2 L8 L9	M1-S5 PolarHBondContact O-N 3.33Å; E2-S5 WeakPolarHBondContact O-CB 3.45Å; E2-S5 PolarHBondContact O-N 3.12Å; E2-S5 VanDerWaalsContact O-N 3.09Å; S5-L8 PolarHBondContact O-N 2.88Å; S5-L9 WeakPolarHBondContact O-CB 3.39Å; S5-L9 PolarHBondContact O-N 3.36Å
6	S	53.4	Low	41.9	Very low	67 Å²	67	132.5 Å²	132.5	47%	0.469	62%	0.624	S	S	.	*	H	α-helix	trans	-68.8	-36.3	175.8	-53.1	0	0	0	0	113.3	E2 K10	E2-S6 PolarHBondContact O-N 2.95Å; E2-S6 PolarHBondContact O-OG 3.12Å; E2-S6 VanDerWaalsContact O-OG 3.12Å; S6-K10 WeakPolarHBondContact O-CB 3.27Å; S6-K10 PolarHBondContact O-N 3.11Å
7	E	47.6	Very low	41	Very low	109 Å²	109	130 Å²	130	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-66.7	-38.1	172	-81.5	-178	158.9	0	0	112.2	R3 R11	R3-E7 PolarHBondContact O-N 3.23Å; E7-R11 VanDerWaalsContact O-CG 3.27Å; E7-R11 WeakPolarHBondContact O-CG 3.34Å; E7-R11 PolarHBondContact O-N 2.95Å; E7-R11 VanDerWaalsContact O-N 3.11Å
8	L	41	Very low	40.6	Very low	105 Å²	105	128.9 Å²	128.9	55%	0.55	61%	0.614	S	S	.	*	H	α-helix	trans	-68.7	-41.3	176	-128	120.8	0	0	0	111.7	R4 S5 R11 L12	R4-L8 WeakPolarHBondContact O-CB 3.45Å; R4-L8 PolarHBondContact O-N 3.33Å; R4-L8 VanDerWaalsContact O-N 3.12Å; S5-L8 PolarHBondContact O-N 2.88Å; L8-R11 WeakPolarHBondContact O-CB 3.5Å; L8-R11 PolarHBondContact O-N 3.02Å; L8-L12 HydrophobicContact CD2-CD1 4.32Å; L8-L12 WeakPolarHBondContact O-CG 3.5Å; L8-L12 PolarHBondContact O-N 3.21Å
9	L	46.4	Very low	40	Very low	91 Å²	91	129.2 Å²	129.2	48%	0.476	62%	0.618	S	S	.	*	H	α-helix	trans	-62.4	-44.1	173.8	-89.1	154.6	0	0	0	111.8	S5 R11 L12 E13	S5-L9 WeakPolarHBondContact O-CB 3.39Å; S5-L9 PolarHBondContact O-N 3.36Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 3.03Å; L9-L12 PolarHBondContact O-N 3.3Å; L9-E13 WeakPolarHBondContact O-CG 3.45Å; L9-E13 PolarHBondContact O-N 3.17Å
10	K	42	Very low	39.8	Very low	155 Å²	155	126 Å²	126	67%	0.674	61%	0.607	S	S	*	*	H	α-helix	trans	-59.9	-34.2	172.7	-86.2	-173.1	173.2	-174.5	0	113.5	S6 L12 D14	S6-K10 WeakPolarHBondContact O-CB 3.27Å; S6-K10 PolarHBondContact O-N 3.11Å; K10-L12 VanDerWaalsContact C-N 3.34Å; K10-D14 PolarHBondContact O-N 2.85Å
11	R	35.4	Very low	39.4	Very low	153 Å²	153	121.6 Å²	121.6	58%	0.577	59%	0.592	S	S	*	*	H	α-helix	trans	-75.5	-21.1	175.1	-72.2	172	-177.1	-173.2	2.4	113.4	E7 L8 L9 L17	E7-R11 VanDerWaalsContact O-CG 3.27Å; E7-R11 WeakPolarHBondContact O-CG 3.34Å; E7-R11 PolarHBondContact O-N 2.95Å; E7-R11 VanDerWaalsContact O-N 3.11Å; L8-R11 WeakPolarHBondContact O-CB 3.5Å; L8-R11 PolarHBondContact O-N 3.02Å; L9-R11 VanDerWaalsContact C-N 3.26Å; L9-R11 PolarHBondContact O-N 3.03Å; R11-L17 HydrophobicContact CG-CD2 4.2Å
12	L	33.2	Very low	38.6	Very low	125 Å²	125	120 Å²	120	65%	0.654	58%	0.575	S	S	*	*	H	α-helix	trans	-89.6	-31	176.1	-72.9	166.4	0	0	0	112	L8 L9 K10	L8-L12 HydrophobicContact CD2-CD1 4.32Å; L8-L12 WeakPolarHBondContact O-CG 3.5Å; L8-L12 PolarHBondContact O-N 3.21Å; L9-L12 PolarHBondContact O-N 3.3Å; K10-L12 VanDerWaalsContact C-N 3.34Å
13	E	39.6	Very low	37.7	Very low	153 Å²	153	112.9 Å²	112.9	72%	0.715	55%	0.546	S	S	*	.	H	α-helix	trans	-77.4	-24.8	174.1	-72.9	176.3	171.1	0	0	112.8	L9 P15	L9-E13 WeakPolarHBondContact O-CG 3.45Å; L9-E13 PolarHBondContact O-N 3.17Å; E13-P15 WeakPolarHBondContact O-CD 3.45Å
14	D	35.8	Very low	37.1	Very low	66 Å²	66	106.3 Å²	106.3	35%	0.353	53%	0.527	S	S	.	.			trans	-117.3	84.1	170.3	-168.8	-5	0	0	0	109.9	K10 Y16 L17	K10-D14 PolarHBondContact O-N 2.85Å; D14-Y16 PolarHBondContact O-N 2.97Å; D14-Y16 WeakPolarHBondContact OD1-CB 3.44Å; D14-Y16 WeakPolarHBondContact OD1-CD2 3.39Å; D14-Y16 PolarHBondContact OD1-N 2.83Å; D14-L17 HydrophobicContact CB-CD1 4.49Å; D14-L17 PolarHBondContact O-N 3.44Å
15	P	28.4	Very low	37.1	Very low	83 Å²	83	99.2 Å²	99.2	54%	0.539	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-0	-178.7	26.8	-32	0	0	0	113	E13	E13-P15 WeakPolarHBondContact O-CD 3.45Å
16	Y	32.9	Very low	36.8	Very low	131 Å²	131	101.2 Å²	101.2	51%	0.514	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	2.9	-176	-47.7	-71.1	0	0	0	112.8	D14 N18 Q47	D14-Y16 PolarHBondContact O-N 2.97Å; D14-Y16 WeakPolarHBondContact OD1-CB 3.44Å; D14-Y16 WeakPolarHBondContact OD1-CD2 3.39Å; D14-Y16 PolarHBondContact OD1-N 2.83Å; Y16-N18 PolarHBondContact O-N 3.27Å; Y16-Q47 HydrophobicContact CD1-CG 3.5Å; Y16-Q47 VanDerWaalsContact CD1-CG 3.5Å; Y16-Q47 HydrophobicContact CD2-CG 4.48Å; Y16-Q47 HydrophobicContact CE1-CG 3.39Å; Y16-Q47 HydrophobicContact CE2-CG 4.39Å; Y16-Q47 HydrophobicContact CG-CG 4.04Å; Y16-Q47 VanDerWaalsContact CG-NE2 3.31Å
17	L	27.8	Very low	35.9	Very low	90 Å²	90	101.4 Å²	101.4	47%	0.471	50%	0.498	S	S	.	.	S	Bend	trans	-76.5	86.2	-179.1	-148.3	106.1	0	0	0	112	R11 D14 L19	R11-L17 HydrophobicContact CG-CD2 4.2Å; D14-L17 HydrophobicContact CB-CD1 4.49Å; D14-L17 PolarHBondContact O-N 3.44Å; L17-L19 PolarHBondContact O-N 3.24Å
18	N	33.5	Very low	35.3	Very low	110 Å²	110	103.8 Å²	103.8	59%	0.588	50%	0.502	S	S	*	.			trans	48.7	65.3	156.8	-68.3	-48.2	0	0	0	115.9	Y16 T20	Y16-N18 PolarHBondContact O-N 3.27Å; N18-T20 PolarHBondContact O-N 2.92Å
19	L	28.4	Very low	34.9	Very low	134 Å²	134	102.4 Å²	102.4	70%	0.702	50%	0.495	S	S	*	.			trans	-71.5	82	160.2	-80.2	165.4	0	0	0	109.1	L17 A21	L17-L19 PolarHBondContact O-N 3.24Å; L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.34Å; L19-A21 VanDerWaalsContact O-N 3.09Å
20	T	37.2	Very low	34.1	Very low	65 Å²	65	104.9 Å²	104.9	40%	0.399	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	94.8	163.7	-51.1	0	0	0	0	106.5	N18 Y22	N18-T20 PolarHBondContact O-N 2.92Å; T20-Y22 HydrophobicContact CG2-CE1 4.32Å; T20-Y22 HydrophobicContact CG2-CE2 3.96Å
21	A	31.1	Very low	33.8	Very low	34 Å²	34	103.6 Å²	103.6	28%	0.281	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.6	172.8	0	0	0	0	0	109	L19 S41 W42	L19-A21 VanDerWaalsContact C-N 3.33Å; L19-A21 PolarHBondContact O-N 3.34Å; L19-A21 VanDerWaalsContact O-N 3.09Å; A21-S41 WeakPolarHBondContact O-CA 3.23Å; A21-W42 HydrophobicContact CB-CZ2 4.27Å; A21-W42 PolarHBondContact N-O 3.09Å; A21-W42 PolarHBondContact O-N 3.44Å
22	Y	35.6	Very low	33.6	Very low	188 Å²	188	98 Å²	98	74%	0.737	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.5	177.4	-62	-89.1	0	0	0	107.9	T20	T20-Y22 HydrophobicContact CG2-CE1 4.32Å; T20-Y22 HydrophobicContact CG2-CE2 3.96Å
23	G	31.6	Very low	33.7	Very low	16 Å²	16	94.6 Å²	94.6	17%	0.165	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.1	177.2	0	0	0	0	0	111.3	T40	G23-T40 PolarHBondContact N-O 3.3Å; G23-T40 PolarHBondContact O-N 3.01Å
24	D	37.2	Very low	33.6	Very low	81 Å²	81	91.6 Å²	91.6	43%	0.433	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	121.7	166.8	-67.1	-46.4	0	0	0	108.8	Y26	D24-Y26 HydrophobicContact CB-CE1 4.46Å; D24-Y26 HydrophobicContact CB-CE2 3.96Å; D24-Y26 WeakPolarHBondContact O-CD2 3.45Å; D24-Y26 WeakPolarHBondContact O-CE2 3.28Å
25	F	37.9	Very low	33.7	Very low	58 Å²	58	93.4 Å²	93.4	25%	0.254	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.8	169.3	-138.8	-91.2	0	0	0	108.5	T37 S38 A163	F25-T37 CarbonylContact O-C 3.39Å; F25-T37 VanDerWaalsContact O-CA 3.32Å; F25-T37 WeakPolarHBondContact O-CA 3.49Å; F25-S38 WeakPolarHBondContact CB-O 3.48Å; F25-S38 PolarHBondContact N-O 3Å; F25-S38 PolarHBondContact O-N 2.83Å; F25-A163 HydrophobicContact CZ-CB 4.45Å
26	Y	36.9	Very low	34.1	Very low	111 Å²	111	96.9 Å²	96.9	44%	0.435	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	119	179.3	-58.3	-87.8	0	0	0	109.5	D24 I34 T37	D24-Y26 HydrophobicContact CB-CE1 4.46Å; D24-Y26 HydrophobicContact CB-CE2 3.96Å; D24-Y26 WeakPolarHBondContact O-CD2 3.45Å; D24-Y26 WeakPolarHBondContact O-CE2 3.28Å; Y26-I34 HydrophobicContact CD1-CD1 3.62Å; Y26-I34 HydrophobicContact CD1-CG1 4.07Å; Y26-I34 HydrophobicContact CD1-CG2 3.92Å; Y26-I34 HydrophobicContact CE1-CD1 4.03Å; Y26-I34 HydrophobicContact CG-CD1 4.47Å; Y26-T37 HydrophobicContact CD1-CG2 3.54Å; Y26-T37 HydrophobicContact CE1-CG2 3.61Å
27	V	35	Very low	34.3	Very low	71 Å²	71	94.3 Å²	94.3	43%	0.43	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.7	161.3	-175.8	0	0	0	0	106.4	I34 I35 R36	V27-I34 CarbonylContact O-C 3.52Å; V27-I34 WeakPolarHBondContact O-CA 3.37Å; V27-I35 HydrophobicContact CB-CB 4.4Å; V27-I35 HydrophobicContact CG1-CB 4.12Å; V27-I35 HydrophobicContact CG1-CD1 4.29Å; V27-I35 PolarHBondContact O-N 3.04Å; V27-R36 HydrophobicContact CB-CB 4.24Å; V27-R36 HydrophobicContact CG2-CB 4.31Å; V27-R36 PolarHBondContact N-O 3.33Å; V27-R36 PolarHBondContact O-N 3.45Å
28	R	34.4	Very low	35	Very low	160 Å²	160	91.8 Å²	91.8	60%	0.604	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.9	177.8	-63.1	-173.8	-178.7	-149.7	2.1	111	S33 I34	R28-S33 CarbonylContact C-O 3.51Å; R28-S33 WeakPolarHBondContact CA-O 3.39Å; R28-S33 WeakPolarHBondContact CB-O 3.24Å; R28-I34 HydrophobicContact CG-CG1 4.24Å
29	D	32.3	Very low	35.2	Very low	75 Å²	75	95 Å²	95	40%	0.401	48%	0.477	S	S	.	.			trans	-78.9	170.2	170.3	-153.1	-20.8	0	0	0	110.4	D31 G32 S33 I35	D29-D31 WeakPolarHBondContact CB-OD1 3.33Å; D29-D31 PolarHBondContact O-N 3.5Å; D29-G32 WeakPolarHBondContact O-CA 3.32Å; D29-G32 PolarHBondContact O-N 2.97Å; D29-S33 VanDerWaalsContact CB-OG 3.27Å; D29-S33 WeakPolarHBondContact CB-OG 3.38Å; D29-S33 PolarHBondContact N-O 2.95Å; D29-I35 HydrophobicContact CB-CD1 3.72Å; D29-I35 HydrophobicContact CB-CG1 3.81Å
30	H	29.3	Very low	35.7	Very low	144 Å²	144	89 Å²	89	67%	0.667	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-25.9	179.4	-70.1	-75.4	0	0	0	113.2	G32 E142	H30-G32 VanDerWaalsContact C-N 3.29Å; H30-E142 IonicContact CE1-OE1 3.7Å; H30-E142 IonicContact ND1-OE1 3.09Å
31	D	36.2	Very low	35.7	Very low	127 Å²	127	87.7 Å²	87.7	68%	0.679	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.8	174.4	71.6	-1.9	0	0	0	113.6	D29 S33	D29-D31 WeakPolarHBondContact CB-OD1 3.33Å; D29-D31 PolarHBondContact O-N 3.5Å; D31-S33 WeakPolarHBondContact OD1-CB 3.49Å; D31-S33 PolarHBondContact OD1-N 3.35Å; D31-S33 PolarHBondContact OD1-OG 3.07Å
32	G	30.6	Very low	36.3	Very low	37 Å²	37	90.5 Å²	90.5	38%	0.381	44%	0.443	S	S	.	.	S	Bend	trans	87.8	-2.1	-178.6	0	0	0	0	0	115.2	D29 H30	D29-G32 WeakPolarHBondContact O-CA 3.32Å; D29-G32 PolarHBondContact O-N 2.97Å; H30-G32 VanDerWaalsContact C-N 3.29Å
33	S	35.4	Very low	36.4	Very low	52 Å²	52	84.3 Å²	84.3	36%	0.364	42%	0.422	S	S	.	.			trans	-64.8	147.9	174.7	66.1	0	0	0	0	111.4	R28 D29 D31 I35	R28-S33 CarbonylContact C-O 3.51Å; R28-S33 WeakPolarHBondContact CA-O 3.39Å; R28-S33 WeakPolarHBondContact CB-O 3.24Å; D29-S33 VanDerWaalsContact CB-OG 3.27Å; D29-S33 WeakPolarHBondContact CB-OG 3.38Å; D29-S33 PolarHBondContact N-O 2.95Å; D31-S33 WeakPolarHBondContact OD1-CB 3.49Å; D31-S33 PolarHBondContact OD1-N 3.35Å; D31-S33 PolarHBondContact OD1-OG 3.07Å; S33-I35 PolarHBondContact O-N 2.9Å
34	I	38.4	Very low	36.9	Very low	90 Å²	90	87.9 Å²	87.9	46%	0.462	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.9	-179.3	-64.6	162.7	0	0	0	109	Y26 V27 R28 T37	Y26-I34 HydrophobicContact CD1-CD1 3.62Å; Y26-I34 HydrophobicContact CD1-CG1 4.07Å; Y26-I34 HydrophobicContact CD1-CG2 3.92Å; Y26-I34 HydrophobicContact CE1-CD1 4.03Å; Y26-I34 HydrophobicContact CG-CD1 4.47Å; V27-I34 CarbonylContact O-C 3.52Å; V27-I34 WeakPolarHBondContact O-CA 3.37Å; R28-I34 HydrophobicContact CG-CG1 4.24Å; I34-T37 HydrophobicContact CG2-CG2 4.15Å
35	I	37.6	Very low	37.3	Very low	104 Å²	104	85.9 Å²	85.9	53%	0.533	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-42.1	176.5	-58.2	173.7	0	0	0	110.7	V27 D29 S33	V27-I35 HydrophobicContact CB-CB 4.4Å; V27-I35 HydrophobicContact CG1-CB 4.12Å; V27-I35 HydrophobicContact CG1-CD1 4.29Å; V27-I35 PolarHBondContact O-N 3.04Å; D29-I35 HydrophobicContact CB-CD1 3.72Å; D29-I35 HydrophobicContact CB-CG1 3.81Å; S33-I35 PolarHBondContact O-N 2.9Å
36	R	36.3	Very low	37.5	Very low	156 Å²	156	87.7 Å²	87.7	59%	0.589	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-159.1	145.6	-176	-171	171.9	-179.9	-174.3	0.7	112.6	V27	V27-R36 HydrophobicContact CB-CB 4.24Å; V27-R36 HydrophobicContact CG2-CB 4.31Å; V27-R36 PolarHBondContact N-O 3.33Å; V27-R36 PolarHBondContact O-N 3.45Å
37	T	38.2	Very low	37.7	Very low	77 Å²	77	88 Å²	88	47%	0.472	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.4	167.1	53.2	0	0	0	0	110.8	F25 Y26 I34	F25-T37 CarbonylContact O-C 3.39Å; F25-T37 VanDerWaalsContact O-CA 3.32Å; F25-T37 WeakPolarHBondContact O-CA 3.49Å; Y26-T37 HydrophobicContact CD1-CG2 3.54Å; Y26-T37 HydrophobicContact CE1-CG2 3.61Å; I34-T37 HydrophobicContact CG2-CG2 4.15Å
38	S	41.5	Very low	38.2	Very low	38 Å²	38	87.8 Å²	87.8	27%	0.266	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.3	169.9	-174.6	0	0	0	0	109.3	F25 T40	F25-S38 WeakPolarHBondContact CB-O 3.48Å; F25-S38 PolarHBondContact N-O 3Å; F25-S38 PolarHBondContact O-N 2.83Å; S38-T40 PolarHBondContact O-N 3.33Å
39	K	39.2	Very low	38.5	Very low	177 Å²	177	87 Å²	87	77%	0.77	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	126	169.1	-70.2	-171.1	176.5	-173.4	0	109
40	T	38.4	Very low	39	Very low	8 Å²	8	86 Å²	86	5%	0.049	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.7	179.4	-84.3	0	0	0	0	108.9	G23 S38 I53 T54	G23-T40 PolarHBondContact N-O 3.3Å; G23-T40 PolarHBondContact O-N 3.01Å; S38-T40 PolarHBondContact O-N 3.33Å; T40-I53 HydrophobicContact CG2-CG2 3.89Å; T40-T54 WeakPolarHBondContact CG2-O 3.47Å; T40-T54 PolarHBondContact OG1-O 3.33Å
41	S	37.6	Very low	39.5	Very low	37 Å²	37	80.2 Å²	80.2	26%	0.259	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.3	167.2	56.5	0	0	0	0	109.8	A21 T54	A21-S41 WeakPolarHBondContact O-CA 3.23Å; S41-T54 VanDerWaalsContact O-CB 3.28Å; S41-T54 WeakPolarHBondContact O-CB 3.4Å; S41-T54 PolarHBondContact O-N 3.43Å; S41-T54 PolarHBondContact O-OG1 3.08Å
42	W	42	Very low	39.9	Very low	93 Å²	93	78 Å²	78	35%	0.352	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.9	167.1	58.1	65.8	0	0	0	111	A21 K52	A21-W42 HydrophobicContact CB-CZ2 4.27Å; A21-W42 PolarHBondContact N-O 3.09Å; A21-W42 PolarHBondContact O-N 3.44Å; W42-K52 CarbonylContact C-O 3.58Å; W42-K52 VanDerWaalsContact CA-O 3.24Å; W42-K52 WeakPolarHBondContact CA-O 3.41Å; W42-K52 WeakPolarHBondContact CB-O 3.3Å
43	L	39	Very low	40.3	Very low	58 Å²	58	76.5 Å²	76.5	30%	0.304	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.5	172.5	-176	137.9	0	0	0	107.2	D45 K52	L43-D45 HydrophobicContact CD2-CB 4.4Å; L43-K52 HydrophobicContact CB-CB 4.23Å; L43-K52 PolarHBondContact N-O 3.44Å; L43-K52 WeakPolarHBondContact O-CB 3.15Å; L43-K52 PolarHBondContact O-N 2.95Å
44	Q	41.1	Very low	40.6	Very low	91 Å²	91	76.3 Å²	76.3	43%	0.425	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	125.5	175.6	-175.1	168.6	-13.3	0	0	107.9	D46 L51	Q44-D46 VanDerWaalsContact CG-OD1 3.23Å; Q44-D46 WeakPolarHBondContact CG-OD1 3.37Å; Q44-D46 PolarHBondContact NE2-OD1 2.69Å; Q44-D46 PolarHBondContact NE2-OD2 3.44Å; Q44-L51 HydrophobicContact CB-CD1 4.46Å
45	D	46.5	Very low	40.6	Very low	40 Å²	40	73.6 Å²	73.6	21%	0.214	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	87.9	174.2	166.6	11.4	0	0	0	107	L43 Q47 N48 H49 R50	L43-D45 HydrophobicContact CD2-CB 4.4Å; D45-Q47 VanDerWaalsContact C-N 3.27Å; D45-Q47 PolarHBondContact O-N 3.2Å; D45-Q47 PolarHBondContact OD1-N 2.91Å; D45-N48 VanDerWaalsContact CG-ND2 3.3Å; D45-N48 PolarHBondContact O-N 3.06Å; D45-N48 PolarHBondContact OD1-N 2.74Å; D45-N48 PolarHBondContact OD1-ND2 3.12Å; D45-N48 WeakPolarHBondContact OD2-CB 3.3Å; D45-N48 PolarHBondContact OD2-ND2 2.95Å; D45-H49 PolarHBondContact O-N 3.33Å; D45-R50 HydrophobicContact CB-CB 3.99Å; D45-R50 PolarHBondContact N-O 3Å; D45-R50 PolarHBondContact O-N 3.46Å; D45-R50 WeakPolarHBondContact OD2-CD 3.22Å; D45-R50 IonicContact OD2-NH1 3.33Å; D45-R50 PolarHBondContact OD2-NH1 2.83Å
46	D	40.8	Very low	40.4	Very low	96 Å²	96	69.5 Å²	69.5	51%	0.513	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-67.9	-25.9	-175.7	-77.4	-31	0	0	0	112.9	Q44 N48	Q44-D46 VanDerWaalsContact CG-OD1 3.23Å; Q44-D46 WeakPolarHBondContact CG-OD1 3.37Å; Q44-D46 PolarHBondContact NE2-OD1 2.69Å; Q44-D46 PolarHBondContact NE2-OD2 3.44Å; D46-N48 PolarHBondContact O-N 3.37Å
47	Q	41.6	Very low	40.3	Very low	117 Å²	117	67.8 Å²	67.8	55%	0.547	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-65.8	-28.4	176.7	-67.6	-172.2	-12.9	0	0	112.1	Y16 D45	Y16-Q47 HydrophobicContact CD1-CG 3.5Å; Y16-Q47 VanDerWaalsContact CD1-CG 3.5Å; Y16-Q47 HydrophobicContact CD2-CG 4.48Å; Y16-Q47 HydrophobicContact CE1-CG 3.39Å; Y16-Q47 HydrophobicContact CE2-CG 4.39Å; Y16-Q47 HydrophobicContact CG-CG 4.04Å; Y16-Q47 VanDerWaalsContact CG-NE2 3.31Å; D45-Q47 VanDerWaalsContact C-N 3.27Å; D45-Q47 PolarHBondContact O-N 3.2Å; D45-Q47 PolarHBondContact OD1-N 2.91Å
48	N	45	Very low	40.1	Very low	67 Å²	67	69.9 Å²	69.9	36%	0.358	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-113.9	9.9	-174.4	-65	-73.5	0	0	0	114	D45 D46 R50	D45-N48 VanDerWaalsContact CG-ND2 3.3Å; D45-N48 PolarHBondContact O-N 3.06Å; D45-N48 PolarHBondContact OD1-N 2.74Å; D45-N48 PolarHBondContact OD1-ND2 3.12Å; D45-N48 WeakPolarHBondContact OD2-CB 3.3Å; D45-N48 PolarHBondContact OD2-ND2 2.95Å; D46-N48 PolarHBondContact O-N 3.37Å; N48-R50 HydrophobicContact CB-CB 4.45Å; N48-R50 HydrophobicContact CB-CG 3.75Å; N48-R50 VanDerWaalsContact CB-CZ 3.46Å; N48-R50 VanDerWaalsContact CB-NE 3.35Å; N48-R50 PolarHBondContact ND2-NH1 3.41Å; N48-R50 WeakPolarHBondContact O-CG 3.1Å; N48-R50 PolarHBondContact O-N 3.05Å
49	H	41.2	Very low	40	Very low	142 Å²	142	71.4 Å²	71.4	66%	0.657	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	39.1	-172.4	-57.2	-67.5	0	0	0	113.1	D45 F69	D45-H49 PolarHBondContact O-N 3.33Å; H49-F69 PolarHBondContact O-N 2.9Å
50	R	43.5	Very low	39.7	Very low	55 Å²	55	68.9 Å²	68.9	21%	0.208	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.1	-174.7	-70.6	176.1	-167.6	154.7	3.2	111.3	D45 N48 Y68	D45-R50 HydrophobicContact CB-CB 3.99Å; D45-R50 PolarHBondContact N-O 3Å; D45-R50 PolarHBondContact O-N 3.46Å; D45-R50 WeakPolarHBondContact OD2-CD 3.22Å; D45-R50 IonicContact OD2-NH1 3.33Å; D45-R50 PolarHBondContact OD2-NH1 2.83Å; N48-R50 HydrophobicContact CB-CB 4.45Å; N48-R50 HydrophobicContact CB-CG 3.75Å; N48-R50 VanDerWaalsContact CB-CZ 3.46Å; N48-R50 VanDerWaalsContact CB-NE 3.35Å; N48-R50 PolarHBondContact ND2-NH1 3.41Å; N48-R50 WeakPolarHBondContact O-CG 3.1Å; N48-R50 PolarHBondContact O-N 3.05Å; R50-Y68 HydrophobicContact CG-CD1 3.93Å; R50-Y68 HydrophobicContact CG-CE1 3.9Å
51	L	38.9	Very low	39.5	Very low	23 Å²	23	74.1 Å²	74.1	12%	0.12	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.4	166.1	-176.2	67.3	0	0	0	109	Q44 I53 Y67 F69 A165	Q44-L51 HydrophobicContact CB-CD1 4.46Å; L51-I53 HydrophobicContact CD2-CD1 3.74Å; L51-I53 HydrophobicContact CD2-CG1 3.97Å; L51-I53 HydrophobicContact CG-CD1 4.17Å; L51-I53 HydrophobicContact CG-CG1 3.81Å; L51-Y67 PolarHBondContact N-O 2.91Å; L51-Y67 WeakPolarHBondContact O-CA 3.32Å; L51-Y67 VanDerWaalsContact O-CB 3.3Å; L51-Y67 WeakPolarHBondContact O-CB 3.45Å; L51-Y67 PolarHBondContact O-N 2.96Å; L51-F69 HydrophobicContact CB-CD2 4.31Å; L51-F69 HydrophobicContact CB-CE2 3.71Å; L51-F69 HydrophobicContact CD2-CE2 4Å; L51-F69 HydrophobicContact CD2-CZ 4.42Å; L51-A165 HydrophobicContact CD2-CB 4.02Å
52	K	44.1	Very low	39.3	Very low	79 Å²	79	76.6 Å²	76.6	34%	0.343	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.1	174.1	177.9	158.7	-168.9	172.1	0	109.3	W42 L43 D66	W42-K52 CarbonylContact C-O 3.58Å; W42-K52 VanDerWaalsContact CA-O 3.24Å; W42-K52 WeakPolarHBondContact CA-O 3.41Å; W42-K52 WeakPolarHBondContact CB-O 3.3Å; L43-K52 HydrophobicContact CB-CB 4.23Å; L43-K52 PolarHBondContact N-O 3.44Å; L43-K52 WeakPolarHBondContact O-CB 3.15Å; L43-K52 PolarHBondContact O-N 2.95Å; K52-D66 WeakPolarHBondContact CD-OD1 3.45Å; K52-D66 WeakPolarHBondContact CE-OD1 2.96Å; K52-D66 VanDerWaalsContact CG-OD1 3.22Å; K52-D66 WeakPolarHBondContact CG-OD1 2.88Å
53	I	40.4	Very low	39.1	Very low	6 Å²	6	74.4 Å²	74.4	3%	0.031	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.9	178.6	-50.5	-175.8	0	0	0	109	T40 L51 V55 A65 Y67 A163	T40-I53 HydrophobicContact CG2-CG2 3.89Å; L51-I53 HydrophobicContact CD2-CD1 3.74Å; L51-I53 HydrophobicContact CD2-CG1 3.97Å; L51-I53 HydrophobicContact CG-CD1 4.17Å; L51-I53 HydrophobicContact CG-CG1 3.81Å; I53-V55 HydrophobicContact CB-CG2 4.28Å; I53-V55 HydrophobicContact CG2-CG2 3.72Å; I53-V55 PolarHBondContact O-N 3.49Å; I53-V55 VanDerWaalsContact O-N 3.08Å; I53-A65 CarbonylContact C-O 3.5Å; I53-A65 PolarHBondContact N-O 2.88Å; I53-A65 PolarHBondContact O-N 2.83Å; I53-Y67 HydrophobicContact CB-CD2 3.97Å; I53-Y67 HydrophobicContact CB-CE2 3.68Å; I53-Y67 HydrophobicContact CD1-CD2 3.7Å; I53-Y67 HydrophobicContact CD1-CE2 3.55Å; I53-Y67 HydrophobicContact CD1-CG 4.28Å; I53-Y67 HydrophobicContact CG1-CD2 3.66Å; I53-Y67 HydrophobicContact CG1-CE2 3.74Å; I53-A163 HydrophobicContact CD1-CB 3.47Å; I53-A163 VanDerWaalsContact CD1-CB 3.47Å
54	T	42.3	Very low	39	Very low	49 Å²	49	73.8 Å²	73.8	30%	0.301	40%	0.395	S	S	.	.			trans	-80.6	92.2	171.6	-58.2	0	0	0	0	109	T40 S41 G56 V64	T40-T54 WeakPolarHBondContact CG2-O 3.47Å; T40-T54 PolarHBondContact OG1-O 3.33Å; S41-T54 VanDerWaalsContact O-CB 3.28Å; S41-T54 WeakPolarHBondContact O-CB 3.4Å; S41-T54 PolarHBondContact O-N 3.43Å; S41-T54 PolarHBondContact O-OG1 3.08Å; T54-G56 VanDerWaalsContact C-N 3.32Å; T54-G56 PolarHBondContact O-N 3.17Å; T54-V64 HydrophobicContact CG2-CG2 4.28Å
55	V	36.7	Very low	39.1	Very low	33 Å²	33	69.6 Å²	69.6	20%	0.2	38%	0.376	C	S	.	.			trans	-79.9	81	-178.9	-172	0	0	0	0	110.8	I53 W63 P161	I53-V55 HydrophobicContact CB-CG2 4.28Å; I53-V55 HydrophobicContact CG2-CG2 3.72Å; I53-V55 PolarHBondContact O-N 3.49Å; I53-V55 VanDerWaalsContact O-N 3.08Å; V55-W63 CarbonylContact C-O 3.35Å; V55-W63 PolarHBondContact N-O 3.15Å; V55-W63 VanDerWaalsContact O-O 3.1Å; V55-P161 HydrophobicContact CG2-CB 3.97Å; V55-P161 HydrophobicContact CG2-CG 3.96Å
56	G	34.9	Very low	39	Very low	18 Å²	18	68.2 Å²	68.2	19%	0.186	37%	0.368	C	S	.	.			trans	45.1	-166.5	152.1	0	0	0	0	0	119.6	T54 W63	T54-G56 VanDerWaalsContact C-N 3.32Å; T54-G56 PolarHBondContact O-N 3.17Å; G56-W63 PolarHBondContact O-N 2.92Å
57	K	33.9	Very low	39.2	Very low	120 Å²	120	64 Å²	64	52%	0.522	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.9	-177.9	-161.8	-179.2	179.4	177.6	0	109.5	G59 K61	K57-G59 WeakPolarHBondContact CE-O 3.01Å; K57-K61 CarbonylContact C-O 3.48Å; K57-K61 VanDerWaalsContact CA-O 3.3Å; K57-K61 WeakPolarHBondContact CA-O 3.44Å; K57-K61 WeakPolarHBondContact CG-O 3.44Å
58	M	34	Very low	39.2	Very low	121 Å²	121	59.9 Å²	59.9	60%	0.596	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.3	168.3	-67.4	-165.5	-123.5	0	0	109.3	T60 K61	M58-T60 PolarHBondContact O-N 3.21Å; M58-K61 PolarHBondContact N-O 3.35Å; M58-K61 PolarHBondContact O-N 3.2Å; M58-K61 VanDerWaalsContact O-N 3.12Å
59	G	38.2	Very low	38.8	Very low	69 Å²	69	59.4 Å²	59.4	71%	0.711	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	-125	-172.1	0	0	0	0	0	111.7	K57 K61	K57-G59 WeakPolarHBondContact CE-O 3.01Å; G59-K61 VanDerWaalsContact C-N 3.35Å
60	T	33.6	Very low	38.7	Very low	125 Å²	125	58.3 Å²	58.3	77%	0.767	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.5	176.4	54.5	0	0	0	0	113.6	M58	M58-T60 PolarHBondContact O-N 3.21Å
61	K	34.2	Very low	38.1	Very low	117 Å²	117	65.5 Å²	65.5	51%	0.509	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.8	-170	-61.4	-178.2	-179.5	179.5	0	112	K57 M58 G59 W63	K57-K61 CarbonylContact C-O 3.48Å; K57-K61 VanDerWaalsContact CA-O 3.3Å; K57-K61 WeakPolarHBondContact CA-O 3.44Å; K57-K61 WeakPolarHBondContact CG-O 3.44Å; M58-K61 PolarHBondContact N-O 3.35Å; M58-K61 PolarHBondContact O-N 3.2Å; M58-K61 VanDerWaalsContact O-N 3.12Å; G59-K61 VanDerWaalsContact C-N 3.35Å; K61-W63 HydrophobicContact CB-CZ2 4.09Å; K61-W63 HydrophobicContact CD-CZ2 4.01Å; K61-W63 PolarHBondContact O-NE1 3.4Å
62	S	34.1	Very low	37.7	Very low	90 Å²	90	73.8 Å²	73.8	63%	0.629	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.9	171.7	-55.5	0	0	0	0	110.3
63	W	37.5	Very low	37.1	Very low	46 Å²	46	71.4 Å²	71.4	17%	0.174	38%	0.382	C	S	.	.			trans	-125.4	147.2	-179.4	-53.6	89.4	0	0	0	111.3	V55 G56 K61 V87 I159	V55-W63 CarbonylContact C-O 3.35Å; V55-W63 PolarHBondContact N-O 3.15Å; V55-W63 VanDerWaalsContact O-O 3.1Å; G56-W63 PolarHBondContact O-N 2.92Å; K61-W63 HydrophobicContact CB-CZ2 4.09Å; K61-W63 HydrophobicContact CD-CZ2 4.01Å; K61-W63 PolarHBondContact O-NE1 3.4Å; W63-V87 HydrophobicContact CZ3-CG2 4.5Å; W63-I159 HydrophobicContact CE3-CD1 3.98Å; W63-I159 HydrophobicContact CE3-CG1 4.41Å; W63-I159 HydrophobicContact CE3-CG2 4.44Å; W63-I159 HydrophobicContact CH2-CD1 4.1Å; W63-I159 HydrophobicContact CH2-CG1 4.48Å; W63-I159 HydrophobicContact CZ3-CD1 3.32Å; W63-I159 HydrophobicContact CZ3-CG1 3.94Å
64	V	37.7	Very low	37	Very low	46 Å²	46	73.1 Å²	73.1	28%	0.279	39%	0.393	S	S	.	.			trans	-129.9	133	175.2	-175.6	0	0	0	0	107	T54 P79	T54-V64 HydrophobicContact CG2-CG2 4.28Å; V64-P79 WeakPolarHBondContact O-CD 3.2Å; V64-P79 WeakPolarHBondContact O-CG 3.44Å
65	A	42.9	Very low	36.8	Very low	3 Å²	3	73.3 Å²	73.3	3%	0.025	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	138.8	174.6	0	0	0	0	0	110.6	I53 Y67 P161	I53-A65 CarbonylContact C-O 3.5Å; I53-A65 PolarHBondContact N-O 2.88Å; I53-A65 PolarHBondContact O-N 2.83Å; A65-Y67 HydrophobicContact CB-CE2 4.17Å; A65-P161 HydrophobicContact CB-CG 3.11Å
66	D	43.6	Very low	36.9	Very low	11 Å²	11	72.6 Å²	72.6	6%	0.059	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	132.9	178.6	-63.2	-39.5	0	0	0	108.9	K52 Y68 I77	K52-D66 WeakPolarHBondContact CD-OD1 3.45Å; K52-D66 WeakPolarHBondContact CE-OD1 2.96Å; K52-D66 VanDerWaalsContact CG-OD1 3.22Å; K52-D66 WeakPolarHBondContact CG-OD1 2.88Å; D66-Y68 HydrophobicContact CB-CD2 4.47Å; D66-Y68 HydrophobicContact CB-CE2 3.66Å; D66-I77 PolarHBondContact N-O 3.05Å; D66-I77 PolarHBondContact O-N 2.84Å
67	Y	44.5	Very low	37.3	Very low	6 Å²	6	73 Å²	73	2%	0.024	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.8	176.6	-63.4	-110.4	0	0	0	109	L51 I53 A65 L76 P161 L162 A163	L51-Y67 PolarHBondContact N-O 2.91Å; L51-Y67 WeakPolarHBondContact O-CA 3.32Å; L51-Y67 VanDerWaalsContact O-CB 3.3Å; L51-Y67 WeakPolarHBondContact O-CB 3.45Å; L51-Y67 PolarHBondContact O-N 2.96Å; I53-Y67 HydrophobicContact CB-CD2 3.97Å; I53-Y67 HydrophobicContact CB-CE2 3.68Å; I53-Y67 HydrophobicContact CD1-CD2 3.7Å; I53-Y67 HydrophobicContact CD1-CE2 3.55Å; I53-Y67 HydrophobicContact CD1-CG 4.28Å; I53-Y67 HydrophobicContact CG1-CD2 3.66Å; I53-Y67 HydrophobicContact CG1-CE2 3.74Å; A65-Y67 HydrophobicContact CB-CE2 4.17Å; Y67-L76 HydrophobicContact CD1-CD1 3.87Å; Y67-L76 HydrophobicContact CD2-CD1 4.42Å; Y67-L76 HydrophobicContact CE1-CD1 3.71Å; Y67-L76 HydrophobicContact CE2-CD1 4.22Å; Y67-L76 HydrophobicContact CG-CD1 4.26Å; Y67-P161 WeakPolarHBondContact CE1-O 3.27Å; Y67-P161 HydrophobicContact CE2-CG 4.1Å; Y67-P161 WeakPolarHBondContact OH-CB 3.48Å; Y67-P161 VanDerWaalsContact OH-CG 3.27Å; Y67-P161 WeakPolarHBondContact OH-CG 3.4Å; Y67-P161 PolarHBondContact OH-O 2.66Å; Y67-L162 PolarHBondContact OH-O 3.19Å; Y67-A163 HydrophobicContact CE1-CB 3.79Å
68	Y	41.3	Very low	37.7	Very low	31 Å²	31	67.4 Å²	67.4	12%	0.122	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.2	177.2	-64.8	-100.2	0	0	0	108.9	R50 D66 F70 Y75 I77 C91	R50-Y68 HydrophobicContact CG-CD1 3.93Å; R50-Y68 HydrophobicContact CG-CE1 3.9Å; D66-Y68 HydrophobicContact CB-CD2 4.47Å; D66-Y68 HydrophobicContact CB-CE2 3.66Å; Y68-F70 HydrophobicContact CD1-CE2 4.49Å; Y68-F70 HydrophobicContact CD1-CZ 4.44Å; Y68-F70 HydrophobicContact CG-CE2 4.19Å; Y68-Y75 PolarHBondContact N-O 3.33Å; Y68-Y75 PolarHBondContact O-N 3.48Å; Y68-I77 HydrophobicContact CD2-CB 4.4Å; Y68-I77 HydrophobicContact CD2-CD1 3.49Å; Y68-I77 VanDerWaalsContact CD2-CD1 3.49Å; Y68-I77 HydrophobicContact CD2-CG1 3.73Å; Y68-I77 HydrophobicContact CE2-CB 4.11Å; Y68-I77 HydrophobicContact CE2-CD1 3.24Å; Y68-I77 HydrophobicContact CE2-CG1 3.75Å; Y68-I77 HydrophobicContact CG-CD1 4.36Å; Y68-C91 WeakPolarHBondContact OH-CB 3.28Å
69	F	38	Very low	37.8	Very low	58 Å²	58	62.6 Å²	62.6	25%	0.254	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.6	170.8	-63.9	-81.1	0	0	0	107.8	H49 L51 T74 A165	H49-F69 PolarHBondContact O-N 2.9Å; L51-F69 HydrophobicContact CB-CD2 4.31Å; L51-F69 HydrophobicContact CB-CE2 3.71Å; L51-F69 HydrophobicContact CD2-CE2 4Å; L51-F69 HydrophobicContact CD2-CZ 4.42Å; F69-T74 HydrophobicContact CD1-CG2 3.96Å; F69-T74 HydrophobicContact CE1-CG2 3.76Å; F69-T74 HydrophobicContact CZ-CG2 4.5Å; F69-A165 HydrophobicContact CE2-CB 4.13Å; F69-A165 HydrophobicContact CZ-CB 3.82Å
70	F	38.1	Very low	37.5	Very low	118 Å²	118	61.7 Å²	61.7	52%	0.518	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	155.3	172	-63.6	-96.7	0	0	0	108.9	Y68 K72 G73 Y75	Y68-F70 HydrophobicContact CD1-CE2 4.49Å; Y68-F70 HydrophobicContact CD1-CZ 4.44Å; Y68-F70 HydrophobicContact CG-CE2 4.19Å; F70-K72 PolarHBondContact O-N 3.41Å; F70-G73 PolarHBondContact N-O 3.31Å; F70-G73 PolarHBondContact O-N 3.48Å; F70-Y75 HydrophobicContact CB-CD2 4.19Å; F70-Y75 HydrophobicContact CB-CE2 3.91Å; F70-Y75 AromaticContact CD2-CD2 3.16Å; F70-Y75 HydrophobicContact CD2-CD2 3.16Å; F70-Y75 AromaticContact CD2-CE2 3.62Å; F70-Y75 HydrophobicContact CD2-CE2 3.62Å; F70-Y75 AromaticContact CD2-CG 3.94Å; F70-Y75 HydrophobicContact CD2-CG 3.94Å; F70-Y75 AromaticContact CE2-CD2 3.72Å; F70-Y75 HydrophobicContact CE2-CD2 3.72Å; F70-Y75 HydrophobicContact CE2-CE2 4.32Å; F70-Y75 HydrophobicContact CE2-CG 4.03Å; F70-Y75 HydrophobicContact CG-CD2 4Å; F70-Y75 HydrophobicContact CG-CE2 4Å
71	E	30.6	Very low	37.4	Very low	206 Å²	206	56.8 Å²	56.8	96%	0.963	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-21.6	179.7	-66.8	-175.8	152.4	0	0	113.9
72	K	32.2	Very low	37.2	Very low	198 Å²	198	54.1 Å²	54.1	86%	0.861	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	8.1	-179.7	-64.2	-175.3	179.7	177.8	0	114.8	F70	F70-K72 PolarHBondContact O-N 3.41Å
73	G	31.5	Very low	36.9	Very low	28 Å²	28	59.4 Å²	59.4	29%	0.289	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154.5	167.4	177.3	0	0	0	0	0	114.8	F70 Y75	F70-G73 PolarHBondContact N-O 3.31Å; F70-G73 PolarHBondContact O-N 3.48Å; G73-Y75 WeakPolarHBondContact O-CD2 3.1Å
74	T	37.3	Very low	36.3	Very low	43 Å²	43	65.2 Å²	65.2	26%	0.264	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132	172.9	-52.1	0	0	0	0	109.2	F69	F69-T74 HydrophobicContact CD1-CG2 3.96Å; F69-T74 HydrophobicContact CE1-CG2 3.76Å; F69-T74 HydrophobicContact CZ-CG2 4.5Å
75	Y	38.2	Very low	35.7	Very low	52 Å²	52	67.4 Å²	67.4	20%	0.204	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134	-179.4	-64.8	-99.4	0	0	0	109.6	Y68 F70 G73 V130	Y68-Y75 PolarHBondContact N-O 3.33Å; Y68-Y75 PolarHBondContact O-N 3.48Å; F70-Y75 HydrophobicContact CB-CD2 4.19Å; F70-Y75 HydrophobicContact CB-CE2 3.91Å; F70-Y75 AromaticContact CD2-CD2 3.16Å; F70-Y75 HydrophobicContact CD2-CD2 3.16Å; F70-Y75 AromaticContact CD2-CE2 3.62Å; F70-Y75 HydrophobicContact CD2-CE2 3.62Å; F70-Y75 AromaticContact CD2-CG 3.94Å; F70-Y75 HydrophobicContact CD2-CG 3.94Å; F70-Y75 AromaticContact CE2-CD2 3.72Å; F70-Y75 HydrophobicContact CE2-CD2 3.72Å; F70-Y75 HydrophobicContact CE2-CE2 4.32Å; F70-Y75 HydrophobicContact CE2-CG 4.03Å; F70-Y75 HydrophobicContact CG-CD2 4Å; F70-Y75 HydrophobicContact CG-CE2 4Å; G73-Y75 WeakPolarHBondContact O-CD2 3.1Å; Y75-V130 HydrophobicContact CD1-CG1 3.39Å; Y75-V130 HydrophobicContact CE1-CG1 3.98Å; Y75-V130 HydrophobicContact CG-CG1 4.43Å
76	L	39.8	Very low	34.8	Very low	18 Å²	18	75.9 Å²	75.9	9%	0.094	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.6	177.1	-175.9	64.5	0	0	0	110	Y67 Y129 F131 F160 P161	Y67-L76 HydrophobicContact CD1-CD1 3.87Å; Y67-L76 HydrophobicContact CD2-CD1 4.42Å; Y67-L76 HydrophobicContact CE1-CD1 3.71Å; Y67-L76 HydrophobicContact CE2-CD1 4.22Å; Y67-L76 HydrophobicContact CG-CD1 4.26Å; L76-Y129 VanDerWaalsContact O-O 3.08Å; L76-F131 HydrophobicContact CB-CD2 4.44Å; L76-F160 HydrophobicContact CD2-CB 3.93Å; L76-F160 HydrophobicContact CD2-CD1 3.9Å; L76-F160 HydrophobicContact CD2-CG 4.36Å; L76-P161 HydrophobicContact CD1-CG 4.24Å; L76-P161 WeakPolarHBondContact CD1-O 2.97Å; L76-P161 WeakPolarHBondContact CD2-O 3.05Å
77	I	43	Very low	34	Very low	26 Å²	26	77.6 Å²	77.6	13%	0.133	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	113.2	175.3	-56.1	-171.2	0	0	0	108.9	D66 Y68 M128	D66-I77 PolarHBondContact N-O 3.05Å; D66-I77 PolarHBondContact O-N 2.84Å; Y68-I77 HydrophobicContact CD2-CB 4.4Å; Y68-I77 HydrophobicContact CD2-CD1 3.49Å; Y68-I77 VanDerWaalsContact CD2-CD1 3.49Å; Y68-I77 HydrophobicContact CD2-CG1 3.73Å; Y68-I77 HydrophobicContact CE2-CB 4.11Å; Y68-I77 HydrophobicContact CE2-CD1 3.24Å; Y68-I77 HydrophobicContact CE2-CG1 3.75Å; Y68-I77 HydrophobicContact CG-CD1 4.36Å; I77-M128 HydrophobicContact CD1-SD 3.87Å; I77-M128 HydrophobicContact CG1-SD 4.26Å; I77-M128 HydrophobicContact CG2-CG 3.75Å; I77-M128 HydrophobicContact CG2-SD 3.65Å
78	A	40.7	Very low	33	Very low	4 Å²	4	79.9 Å²	79.9	3%	0.033	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.4	180	0	0	0	0	0	111.8	I159	A78-I159 HydrophobicContact CB-CB 3.94Å; A78-I159 HydrophobicContact CB-CG2 3.96Å; A78-I159 WeakPolarHBondContact CB-O 3.45Å
79	P	35.9	Very low	32.3	Very low	20 Å²	20	79.4 Å²	79.4	13%	0.13	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.7	175.7	34.6	-38.3	0	0	0	110.9	V64 V87 A89 I159	V64-P79 WeakPolarHBondContact O-CD 3.2Å; V64-P79 WeakPolarHBondContact O-CG 3.44Å; P79-V87 HydrophobicContact CB-CG1 3.45Å; P79-V87 VanDerWaalsContact CB-CG1 3.45Å; P79-V87 HydrophobicContact CG-CG1 3.29Å; P79-A89 HydrophobicContact CB-CB 4.07Å; P79-A89 HydrophobicContact CG-CB 3.97Å; P79-I159 WeakPolarHBondContact O-CD1 3.28Å
80	V	33.8	Very low	31.6	Very low	50 Å²	50	80.4 Å²	80.4	30%	0.303	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-82.4	136.9	178.8	-175.1	0	0	0	0	110.8	S82 L127 Y129	V80-S82 PolarHBondContact O-N 2.67Å; V80-L127 HydrophobicContact CG2-CB 4.33Å; V80-Y129 HydrophobicContact CG2-CD2 3.97Å; V80-Y129 HydrophobicContact CG2-CE2 3.7Å
81	S	31.5	Very low	31.2	Very low	22 Å²	22	77.2 Å²	77.2	15%	0.154	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-72	123.5	168.8	114.8	0	0	0	0	109.7	Q157	S81-Q157 PolarHBondContact O-OE1 3.43Å; S81-Q157 VanDerWaalsContact OG-CD 3.24Å; S81-Q157 PolarHBondContact OG-NE2 3.18Å; S81-Q157 PolarHBondContact OG-OE1 3.44Å
82	S	28.1	Very low	30.9	Very low	60 Å²	60	72.5 Å²	72.5	42%	0.42	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-96.5	143	163.9	157.9	0	0	0	0	107.7	V80 H84 I85	V80-S82 PolarHBondContact O-N 2.67Å; S82-H84 PolarHBondContact O-N 2.83Å; S82-H84 PolarHBondContact OG-N 2.74Å; S82-I85 PolarHBondContact O-N 2.84Å
83	R	28.1	Very low	30.6	Very low	201 Å²	201	69.7 Å²	69.7	76%	0.758	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-10.4	176.1	-72.9	-173.5	-177.7	-174.4	-0.2	113.8
84	H	25.8	Very low	30.5	Very low	169 Å²	169	72.2 Å²	72.2	78%	0.782	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.8	-2.3	-175.5	-63.7	-61.4	0	0	0	115.5	S82	S82-H84 PolarHBondContact O-N 2.83Å; S82-H84 PolarHBondContact OG-N 2.74Å
85	I	25.7	Very low	30	Very low	91 Å²	91	75 Å²	75	47%	0.467	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-147.2	127.1	-169.7	-52.7	-179.7	0	0	0	111.5	S82 V87	S82-I85 PolarHBondContact O-N 2.84Å; I85-V87 PolarHBondContact O-N 2.83Å
86	Q	23.6	Very low	29.6	Very low	181 Å²	181	80.8 Å²	80.8	85%	0.846	42%	0.416	S	S	*	.			trans	-51.6	132.5	167.9	-85	178	-25.6	0	0	110.6	S88	Q86-S88 PolarHBondContact O-N 3.19Å
87	V	25.4	Very low	29.3	Very low	48 Å²	48	85.6 Å²	85.6	29%	0.291	43%	0.433	S	S	.	.			trans	-66.8	96.4	-177.3	-175.4	0	0	0	0	109.5	W63 P79 I85	W63-V87 HydrophobicContact CZ3-CG2 4.5Å; P79-V87 HydrophobicContact CB-CG1 3.45Å; P79-V87 VanDerWaalsContact CB-CG1 3.45Å; P79-V87 HydrophobicContact CG-CG1 3.29Å; I85-V87 PolarHBondContact O-N 2.83Å
88	S	24	Very low	28.6	Very low	53 Å²	53	85.6 Å²	85.6	37%	0.371	44%	0.439	S	S	.	.			trans	-106.7	101.4	168.7	60.3	0	0	0	0	108.6	Q86 V90	Q86-S88 PolarHBondContact O-N 3.19Å; S88-V90 PolarHBondContact O-N 2.68Å
89	A	26.2	Very low	28.5	Very low	21 Å²	21	92.4 Å²	92.4	17%	0.174	47%	0.465	C	S	.	.			trans	-64.9	101.7	163.3	0	0	0	0	0	107.7	P79	P79-A89 HydrophobicContact CB-CB 4.07Å; P79-A89 HydrophobicContact CG-CB 3.97Å
90	V	23.9	Very low	28.6	Very low	80 Å²	80	100.1 Å²	100.1	49%	0.485	50%	0.497	S	S	.	.			trans	-116.4	100.9	168.1	-179.5	0	0	0	0	104.8	S88 R126	S88-V90 PolarHBondContact O-N 2.68Å; V90-R126 PolarHBondContact O-NH1 2.91Å
91	C	29.2	Very low	29.4	Very low	50 Å²	50	101.9 Å²	101.9	34%	0.338	51%	0.505	S	S	.	.			trans	-100.8	97.1	169.8	-68.1	0	0	0	0	107.5	Y68	Y68-C91 WeakPolarHBondContact OH-CB 3.28Å
92	T	24.4	Very low	30.4	Very low	107 Å²	107	103.2 Å²	103.2	66%	0.656	51%	0.509	S	S	*	.			trans	-69.3	137.5	163.8	-58.4	0	0	0	0	107.8	I94	T92-I94 PolarHBondContact O-N 3.37Å
93	Y	27.5	Very low	31.7	Very low	139 Å²	139	103.2 Å²	103.2	55%	0.545	50%	0.504	S	S	.	.			trans	-60	115.9	166.8	175.2	-107	0	0	0	108.6	D95	Y93-D95 HydrophobicContact CE1-CB 4.22Å; Y93-D95 WeakPolarHBondContact CE1-OD1 3.29Å; Y93-D95 WeakPolarHBondContact CE1-OD2 3.46Å; Y93-D95 PolarHBondContact OH-OD1 2.98Å
94	I	29.2	Very low	33.2	Very low	82 Å²	82	97.4 Å²	97.4	42%	0.421	49%	0.485	S	S	.	.			trans	-99.2	99.9	174.1	-54.3	-178.2	0	0	0	106.4	T92 H96 W97	T92-I94 PolarHBondContact O-N 3.37Å; I94-H96 PolarHBondContact O-N 2.79Å; I94-W97 HydrophobicContact CB-CE3 4.19Å; I94-W97 HydrophobicContact CD1-CE3 4.2Å; I94-W97 HydrophobicContact CD1-CZ3 3.87Å; I94-W97 HydrophobicContact CG1-CE3 4.48Å; I94-W97 HydrophobicContact CG1-CZ3 4.45Å; I94-W97 PolarHBondContact O-N 2.68Å
95	D	26.7	Very low	34.9	Very low	100 Å²	100	96.9 Å²	96.9	54%	0.535	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	132.6	165.2	-96	-36.9	0	0	0	108.5	Y93	Y93-D95 HydrophobicContact CE1-CB 4.22Å; Y93-D95 WeakPolarHBondContact CE1-OD1 3.29Å; Y93-D95 WeakPolarHBondContact CE1-OD2 3.46Å; Y93-D95 PolarHBondContact OH-OD1 2.98Å
96	H	28.4	Very low	36	Very low	175 Å²	175	94 Å²	94	81%	0.81	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	52.1	-173.9	-44.6	80.1	0	0	0	113.8	I94 G98	I94-H96 PolarHBondContact O-N 2.79Å; H96-G98 PolarHBondContact O-N 3.01Å
97	W	33.7	Very low	37.1	Very low	119 Å²	119	95.1 Å²	95.1	45%	0.451	46%	0.456	S	S	.	.			trans	-58.2	87.3	163.4	-168.3	-71.7	0	0	0	110.1	I94 F117 I119 M128	I94-W97 HydrophobicContact CB-CE3 4.19Å; I94-W97 HydrophobicContact CD1-CE3 4.2Å; I94-W97 HydrophobicContact CD1-CZ3 3.87Å; I94-W97 HydrophobicContact CG1-CE3 4.48Å; I94-W97 HydrophobicContact CG1-CZ3 4.45Å; I94-W97 PolarHBondContact O-N 2.68Å; W97-F117 HydrophobicContact CZ2-CD1 4.37Å; W97-F117 HydrophobicContact CZ2-CG 4.3Å; W97-I119 HydrophobicContact CH2-CD1 3.95Å; W97-I119 HydrophobicContact CH2-CG1 4.4Å; W97-M128 HydrophobicContact CH2-CE 3.12Å; W97-M128 HydrophobicContact CH2-SD 3.93Å; W97-M128 HydrophobicContact CZ2-CE 3.17Å; W97-M128 HydrophobicContact CZ3-CE 4.3Å
98	G	29.9	Very low	38.2	Very low	25 Å²	25	94.3 Å²	94.3	26%	0.258	45%	0.45	S	S	.	.			trans	-91	152.5	168.8	0	0	0	0	0	109.8	H96 F100	H96-G98 PolarHBondContact O-N 3.01Å; G98-F100 VanDerWaalsContact CA-CD2 3.47Å; G98-F100 PolarHBondContact O-N 3.5Å
99	Y	36.8	Very low	39.2	Very low	147 Å²	147	100.8 Å²	100.8	58%	0.576	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-61.4	15.8	179	-69.4	-100.5	0	0	0	114.9	D101 E102 R115	Y99-D101 VanDerWaalsContact C-N 3.29Å; Y99-D101 PolarHBondContact O-N 2.77Å; Y99-E102 PolarHBondContact O-N 3.33Å; Y99-R115 VanDerWaalsContact CE1-NH1 3.27Å
100	F	38.9	Very low	39.9	Very low	183 Å²	183	104.2 Å²	104.2	80%	0.803	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.3	-160.7	-64.2	-70.7	0	0	0	114.2	G98	G98-F100 VanDerWaalsContact CA-CD2 3.47Å; G98-F100 PolarHBondContact O-N 3.5Å
101	D	50.5	Low	40.8	Very low	86 Å²	86	103.7 Å²	103.7	46%	0.46	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-123.5	26.8	-178.2	-74.1	-43	0	0	0	114.2	Y99 L103 F117 R118	Y99-D101 VanDerWaalsContact C-N 3.29Å; Y99-D101 PolarHBondContact O-N 2.77Å; D101-L103 PolarHBondContact O-N 2.96Å; D101-F117 CarbonylContact O-C 3.54Å; D101-F117 VanDerWaalsContact O-CA 3.28Å; D101-F117 WeakPolarHBondContact O-CA 3.35Å; D101-R118 HydrophobicContact CB-CB 4.28Å; D101-R118 WeakPolarHBondContact CB-O 3.31Å; D101-R118 PolarHBondContact O-N 3.36Å
102	E	52.1	Low	41.6	Very low	50 Å²	50	102 Å²	102	23%	0.234	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	114.4	171.7	-159.7	-170.8	107.8	0	0	109.9	Y99 R105 R115 R116 F117	Y99-E102 PolarHBondContact O-N 3.33Å; E102-R105 WeakPolarHBondContact OE1-CD 3.21Å; E102-R105 WeakPolarHBondContact OE1-CG 3.17Å; E102-R105 IonicContact OE1-CZ 2.69Å; E102-R105 IonicContact OE1-NE 3.53Å; E102-R105 PolarHBondContact OE1-NE 2.96Å; E102-R105 IonicContact OE1-NH2 3.52Å; E102-R105 IonicContact OE2-CZ 3.36Å; E102-R105 IonicContact OE2-NE 3.55Å; E102-R105 PolarHBondContact OE2-NE 2.94Å; E102-R105 IonicContact OE2-NH2 3.54Å; E102-R105 PolarHBondContact OE2-NH2 2.91Å; E102-R105 VanDerWaalsContact OE2-NH2 3.09Å; E102-R115 HydrophobicContact CG-CB 4.48Å; E102-R116 CarbonylContact C-O 3.59Å; E102-R116 WeakPolarHBondContact CA-O 3.38Å; E102-F117 HydrophobicContact CB-CD1 3.99Å; E102-F117 HydrophobicContact CB-CE1 3.71Å; E102-F117 HydrophobicContact CB-CZ 4.47Å; E102-F117 HydrophobicContact CG-CD1 4.26Å; E102-F117 HydrophobicContact CG-CE1 3.79Å; E102-F117 HydrophobicContact CG-CZ 4.07Å
103	L	56.8	Low	42.6	Very low	61 Å²	61	100.6 Å²	100.6	32%	0.319	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-30.5	-180	-66.6	178.6	0	0	0	113	D101 R116 R118 L127	D101-L103 PolarHBondContact O-N 2.96Å; L103-R116 HydrophobicContact CB-CB 4.41Å; L103-R116 HydrophobicContact CB-CG 4.36Å; L103-R116 HydrophobicContact CD1-CG 4.31Å; L103-R116 PolarHBondContact N-O 3.2Å; L103-R118 HydrophobicContact CD1-CB 3.96Å; L103-R118 HydrophobicContact CD2-CB 4.15Å; L103-R118 HydrophobicContact CG-CB 4.04Å; L103-L127 HydrophobicContact CD1-CD2 3.35Å
104	E	58.3	Low	43.9	Very low	78 Å²	78	94 Å²	94	36%	0.364	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	139.2	-171.8	-170.7	173.3	-177.5	0	0	111.5	Y106 R115 R116	E104-Y106 HydrophobicContact CG-CD1 4.29Å; E104-R115 CarbonylContact O-C 3.49Å; E104-R115 WeakPolarHBondContact O-CA 3.38Å; E104-R116 HydrophobicContact CB-CB 4.06Å; E104-R116 PolarHBondContact N-O 3.43Å; E104-R116 PolarHBondContact O-N 2.72Å; E104-R116 IonicContact OE2-CZ 2.94Å; E104-R116 IonicContact OE2-NE 3.8Å; E104-R116 IonicContact OE2-NH1 2.71Å; E104-R116 PolarHBondContact OE2-NH1 2.82Å; E104-R116 IonicContact OE2-NH2 2.98Å; E104-R116 PolarHBondContact OE2-NH2 2.82Å
105	R	61.6	Low	45.1	Very low	159 Å²	159	92.3 Å²	92.3	60%	0.6	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.8	159.8	-59.6	-169.6	174.8	170.8	1.3	109	E102 G114	E102-R105 WeakPolarHBondContact OE1-CD 3.21Å; E102-R105 WeakPolarHBondContact OE1-CG 3.17Å; E102-R105 IonicContact OE1-CZ 2.69Å; E102-R105 IonicContact OE1-NE 3.53Å; E102-R105 PolarHBondContact OE1-NE 2.96Å; E102-R105 IonicContact OE1-NH2 3.52Å; E102-R105 IonicContact OE2-CZ 3.36Å; E102-R105 IonicContact OE2-NE 3.55Å; E102-R105 PolarHBondContact OE2-NE 2.94Å; E102-R105 IonicContact OE2-NH2 3.54Å; E102-R105 PolarHBondContact OE2-NH2 2.91Å; E102-R105 VanDerWaalsContact OE2-NH2 3.09Å; R105-G114 WeakPolarHBondContact CA-O 3.27Å
106	Y	49.9	Very low	46.4	Very low	30 Å²	30	90.5 Å²	90.5	12%	0.118	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	146.9	175.7	54.3	-83.9	0	0	0	110	E104 L108 G114 R116 Y129 F131 W158	E104-Y106 HydrophobicContact CG-CD1 4.29Å; Y106-L108 HydrophobicContact CD2-CD2 4.01Å; Y106-L108 HydrophobicContact CD2-CG 4.21Å; Y106-L108 HydrophobicContact CE2-CD1 4.5Å; Y106-L108 HydrophobicContact CE2-CD2 4.12Å; Y106-L108 HydrophobicContact CE2-CG 4.25Å; Y106-G114 VanDerWaalsContact CE1-C 3.48Å; Y106-G114 VanDerWaalsContact CZ-CA 3.49Å; Y106-G114 PolarHBondContact N-O 2.78Å; Y106-G114 PolarHBondContact O-N 2.71Å; Y106-R116 HydrophobicContact CE1-CB 4.42Å; Y106-Y129 HydrophobicContact CE1-CD1 4.17Å; Y106-Y129 WeakPolarHBondContact OH-CD1 2.89Å; Y106-F131 HydrophobicContact CE2-CD1 4.33Å; Y106-F131 AromaticContact CE2-CE1 3.7Å; Y106-F131 HydrophobicContact CE2-CE1 3.7Å; Y106-F131 AromaticContact CZ-CE1 3.73Å; Y106-F131 WeakPolarHBondContact OH-CE1 3.46Å; Y106-F131 WeakPolarHBondContact OH-CZ 3.07Å; Y106-W158 HydrophobicContact CE1-CH2 4.49Å; Y106-W158 HydrophobicContact CE1-CZ3 4.47Å; Y106-W158 HydrophobicContact CE2-CH2 4.41Å; Y106-W158 HydrophobicContact CE2-CZ3 4.18Å; Y106-W158 AromaticContact CZ-CZ3 3.84Å
107	R	46.4	Very low	47.5	Very low	204 Å²	204	82.6 Å²	82.6	77%	0.77	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	129	172	-77.9	-176.2	171.4	174.3	-1.5	108.7	Y112 E113	R107-Y112 WeakPolarHBondContact CA-O 3.13Å; R107-E113 HydrophobicContact CG-CG 4.41Å; R107-E113 IonicContact CZ-OE1 3.64Å; R107-E113 IonicContact NE-OE1 3.35Å; R107-E113 PolarHBondContact NE-OE1 2.94Å; R107-E113 IonicContact NH2-OE1 3.01Å; R107-E113 PolarHBondContact NH2-OE1 2.8Å
108	L	48.5	Very low	48.2	Very low	32 Å²	32	82.1 Å²	82.1	17%	0.168	38%	0.382	C	S	.	.			trans	-86.7	153.4	172.2	-60.5	170	0	0	0	109	Y106 L110 G111 Y112 F131 M147	Y106-L108 HydrophobicContact CD2-CD2 4.01Å; Y106-L108 HydrophobicContact CD2-CG 4.21Å; Y106-L108 HydrophobicContact CE2-CD1 4.5Å; Y106-L108 HydrophobicContact CE2-CD2 4.12Å; Y106-L108 HydrophobicContact CE2-CG 4.25Å; L108-L110 PolarHBondContact O-N 2.77Å; L108-G111 PolarHBondContact O-N 2.66Å; L108-Y112 PolarHBondContact N-O 3.21Å; L108-F131 HydrophobicContact CD1-CD1 4Å; L108-F131 HydrophobicContact CD1-CE1 4.09Å; L108-M147 HydrophobicContact CD1-CE 3.76Å; L108-M147 HydrophobicContact CD1-SD 3.62Å; L108-M147 HydrophobicContact CD2-CE 3.5Å; L108-M147 HydrophobicContact CD2-SD 4.21Å; L108-M147 HydrophobicContact CG-CE 4.27Å; L108-M147 HydrophobicContact CG-SD 4.47Å
109	H	44.4	Very low	48.9	Very low	189 Å²	189	82.8 Å²	82.8	88%	0.875	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	0.2	-176.5	-71.8	-68.1	0	0	0	115.9
110	L	40.5	Very low	49.1	Very low	92 Å²	92	81 Å²	81	48%	0.482	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	21.7	-175.5	-71.2	168.2	0	0	0	113.4	L108 Y112 L143	L108-L110 PolarHBondContact O-N 2.77Å; L110-Y112 VanDerWaalsContact C-N 3.28Å; L110-Y112 HydrophobicContact CB-CD2 3.66Å; L110-Y112 HydrophobicContact CB-CE2 3.68Å; L110-Y112 WeakPolarHBondContact O-CD2 3.47Å; L110-Y112 WeakPolarHBondContact O-CE2 3.28Å; L110-Y112 PolarHBondContact O-N 2.89Å; L110-L143 HydrophobicContact CB-CD1 3.81Å; L110-L143 HydrophobicContact CD1-CB 4.26Å; L110-L143 HydrophobicContact CD1-CD1 3.27Å; L110-L143 HydrophobicContact CD1-CG 4.37Å; L110-L143 HydrophobicContact CG-CD1 4.07Å
111	G	44.2	Very low	49	Very low	69 Å²	69	74.4 Å²	74.4	71%	0.711	36%	0.36	S	S	*	.	S	Bend	trans	78.3	11.3	176.4	0	0	0	0	0	114.3	L108	L108-G111 PolarHBondContact O-N 2.66Å
112	Y	44.1	Very low	48.1	Very low	15 Å²	15	79.8 Å²	79.8	6%	0.059	38%	0.382	C	S	.	.			trans	-86.3	137.1	174.7	-62.9	-81.9	0	0	0	110.5	R107 L108 L110 I135 L143	R107-Y112 WeakPolarHBondContact CA-O 3.13Å; L108-Y112 PolarHBondContact N-O 3.21Å; L110-Y112 VanDerWaalsContact C-N 3.28Å; L110-Y112 HydrophobicContact CB-CD2 3.66Å; L110-Y112 HydrophobicContact CB-CE2 3.68Å; L110-Y112 WeakPolarHBondContact O-CD2 3.47Å; L110-Y112 WeakPolarHBondContact O-CE2 3.28Å; L110-Y112 PolarHBondContact O-N 2.89Å; Y112-I135 HydrophobicContact CD1-CG1 4.42Å; Y112-I135 HydrophobicContact CE1-CG1 3.55Å; Y112-L143 HydrophobicContact CD1-CD2 4.14Å; Y112-L143 HydrophobicContact CD2-CD1 3.61Å; Y112-L143 HydrophobicContact CD2-CD2 3.41Å; Y112-L143 VanDerWaalsContact CD2-CD2 3.41Å; Y112-L143 HydrophobicContact CD2-CG 4.11Å; Y112-L143 HydrophobicContact CE1-CD2 4.1Å; Y112-L143 HydrophobicContact CE2-CB 4.32Å; Y112-L143 HydrophobicContact CE2-CD1 3.7Å; Y112-L143 HydrophobicContact CE2-CD2 3.32Å; Y112-L143 HydrophobicContact CE2-CG 3.96Å; Y112-L143 HydrophobicContact CG-CD2 3.82Å
113	E	45.9	Very low	47.1	Very low	77 Å²	77	85.1 Å²	85.1	36%	0.36	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.9	170.9	-59.3	-164.8	150.4	0	0	108.4	R107 S132	R107-E113 HydrophobicContact CG-CG 4.41Å; R107-E113 IonicContact CZ-OE1 3.64Å; R107-E113 IonicContact NE-OE1 3.35Å; R107-E113 PolarHBondContact NE-OE1 2.94Å; R107-E113 IonicContact NH2-OE1 3.01Å; R107-E113 PolarHBondContact NH2-OE1 2.8Å; E113-S132 PolarHBondContact N-O 2.74Å; E113-S132 PolarHBondContact O-N 2.78Å; E113-S132 PolarHBondContact O-OG 2.99Å
114	G	56.1	Low	46	Very low	1 Å²	1	86.5 Å²	86.5	1%	0.01	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	145.3	173.2	0	0	0	0	0	110.7	R105 Y106 V130	R105-G114 WeakPolarHBondContact CA-O 3.27Å; Y106-G114 VanDerWaalsContact CE1-C 3.48Å; Y106-G114 VanDerWaalsContact CZ-CA 3.49Å; Y106-G114 PolarHBondContact N-O 2.78Å; Y106-G114 PolarHBondContact O-N 2.71Å; G114-V130 CarbonylContact C-O 3.52Å; G114-V130 WeakPolarHBondContact CA-O 3.5Å
115	R	52.4	Low	44.9	Very low	47 Å²	47	92.1 Å²	92.1	18%	0.177	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.3	174	-59.6	-178	-171.9	174.3	-0.3	108.4	Y99 E102 E104 F117 Y129 V130	Y99-R115 VanDerWaalsContact CE1-NH1 3.27Å; E102-R115 HydrophobicContact CG-CB 4.48Å; E104-R115 CarbonylContact O-C 3.49Å; E104-R115 WeakPolarHBondContact O-CA 3.38Å; R115-F117 HydrophobicContact CB-CD2 4.32Å; R115-F117 HydrophobicContact CB-CE2 3.47Å; R115-F117 VanDerWaalsContact CB-CE2 3.47Å; R115-F117 HydrophobicContact CB-CZ 3.86Å; R115-Y129 WeakPolarHBondContact O-CA 3.15Å; R115-V130 HydrophobicContact CB-CB 4.34Å; R115-V130 PolarHBondContact N-O 3Å; R115-V130 PolarHBondContact O-N 2.98Å
116	R	56	Low	44.1	Very low	62 Å²	62	88.2 Å²	88.2	23%	0.234	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.7	173	-171.9	177.4	68.7	-149.7	-8.2	108.2	E102 L103 E104 Y106 L127 M128 Y129	E102-R116 CarbonylContact C-O 3.59Å; E102-R116 WeakPolarHBondContact CA-O 3.38Å; L103-R116 HydrophobicContact CB-CB 4.41Å; L103-R116 HydrophobicContact CB-CG 4.36Å; L103-R116 HydrophobicContact CD1-CG 4.31Å; L103-R116 PolarHBondContact N-O 3.2Å; E104-R116 HydrophobicContact CB-CB 4.06Å; E104-R116 PolarHBondContact N-O 3.43Å; E104-R116 PolarHBondContact O-N 2.72Å; E104-R116 IonicContact OE2-CZ 2.94Å; E104-R116 IonicContact OE2-NE 3.8Å; E104-R116 IonicContact OE2-NH1 2.71Å; E104-R116 PolarHBondContact OE2-NH1 2.82Å; E104-R116 IonicContact OE2-NH2 2.98Å; E104-R116 PolarHBondContact OE2-NH2 2.82Å; Y106-R116 HydrophobicContact CE1-CB 4.42Å; R116-L127 HydrophobicContact CG-CD2 4.43Å; R116-M128 CarbonylContact C-O 3.57Å; R116-M128 WeakPolarHBondContact CA-O 3.39Å; R116-Y129 HydrophobicContact CB-CD1 4.04Å; R116-Y129 HydrophobicContact CB-CE1 3.98Å; R116-Y129 HydrophobicContact CG-CD1 3.95Å; R116-Y129 HydrophobicContact CG-CE1 3.62Å
117	F	49.6	Very low	43.8	Very low	8 Å²	8	90.2 Å²	90.2	4%	0.035	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.3	176	-61.5	-91.5	0	0	0	110.2	W97 D101 E102 R115 L127 M128 V130	W97-F117 HydrophobicContact CZ2-CD1 4.37Å; W97-F117 HydrophobicContact CZ2-CG 4.3Å; D101-F117 CarbonylContact O-C 3.54Å; D101-F117 VanDerWaalsContact O-CA 3.28Å; D101-F117 WeakPolarHBondContact O-CA 3.35Å; E102-F117 HydrophobicContact CB-CD1 3.99Å; E102-F117 HydrophobicContact CB-CE1 3.71Å; E102-F117 HydrophobicContact CB-CZ 4.47Å; E102-F117 HydrophobicContact CG-CD1 4.26Å; E102-F117 HydrophobicContact CG-CE1 3.79Å; E102-F117 HydrophobicContact CG-CZ 4.07Å; R115-F117 HydrophobicContact CB-CD2 4.32Å; R115-F117 HydrophobicContact CB-CE2 3.47Å; R115-F117 VanDerWaalsContact CB-CE2 3.47Å; R115-F117 HydrophobicContact CB-CZ 3.86Å; F117-L127 WeakPolarHBondContact O-CA 3.39Å; F117-M128 HydrophobicContact CB-CB 4.38Å; F117-M128 HydrophobicContact CB-CE 4.14Å; F117-M128 HydrophobicContact CD2-CE 3.74Å; F117-M128 HydrophobicContact CE2-CE 4.47Å; F117-M128 HydrophobicContact CG-CE 4.11Å; F117-M128 PolarHBondContact N-O 3.4Å; F117-M128 PolarHBondContact O-N 3.47Å; F117-V130 HydrophobicContact CD2-CB 4.28Å; F117-V130 HydrophobicContact CD2-CG2 3.63Å; F117-V130 HydrophobicContact CE2-CB 3.81Å; F117-V130 HydrophobicContact CE2-CG1 4.47Å; F117-V130 HydrophobicContact CE2-CG2 3.52Å
118	R	48.4	Very low	43.9	Very low	110 Å²	110	81 Å²	81	42%	0.415	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	135.8	158.8	-167.9	173.7	-66.4	168.2	4.3	107.6	D101 L103 E120	D101-R118 HydrophobicContact CB-CB 4.28Å; D101-R118 WeakPolarHBondContact CB-O 3.31Å; D101-R118 PolarHBondContact O-N 3.36Å; L103-R118 HydrophobicContact CD1-CB 3.96Å; L103-R118 HydrophobicContact CD2-CB 4.15Å; L103-R118 HydrophobicContact CG-CB 4.04Å; R118-E120 HydrophobicContact CG-CG 4.33Å
119	I	46.3	Very low	43.9	Very low	38 Å²	38	80.6 Å²	80.6	20%	0.195	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.5	170	-56.7	178.7	0	0	0	106.9	W97 R126 M128	W97-I119 HydrophobicContact CH2-CD1 3.95Å; W97-I119 HydrophobicContact CH2-CG1 4.4Å; I119-R126 HydrophobicContact CB-CB 4.39Å; I119-R126 PolarHBondContact N-O 3.45Å; I119-R126 PolarHBondContact O-N 3.39Å; I119-M128 HydrophobicContact CD1-CB 3.61Å; I119-M128 HydrophobicContact CD1-CE 4.06Å; I119-M128 HydrophobicContact CD1-CG 4.14Å; I119-M128 HydrophobicContact CD1-SD 3.62Å; I119-M128 HydrophobicContact CG1-CB 4.15Å
120	E	39.2	Very low	44.1	Very low	110 Å²	110	72.3 Å²	72.3	51%	0.514	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	112.3	170.7	-58.8	-156.3	146	0	0	108.6	R118 R125	R118-E120 HydrophobicContact CG-CG 4.33Å; E120-R125 HydrophobicContact CG-CG 4.27Å; E120-R125 IonicContact OE1-CZ 3.55Å; E120-R125 IonicContact OE1-NE 2.83Å; E120-R125 PolarHBondContact OE1-NE 2.82Å; E120-R125 IonicContact OE1-NH2 3.43Å; E120-R125 PolarHBondContact OE1-NH2 3.43Å
121	G	38.8	Very low	44.5	Very low	45 Å²	45	68.5 Å²	68.5	46%	0.464	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	167.4	165.2	0	0	0	0	0	110.2	N123 K124	G121-N123 PolarHBondContact O-N 3.04Å; G121-K124 PolarHBondContact N-O 3.38Å; G121-K124 PolarHBondContact O-N 3.43Å
122	Q	30.4	Very low	44.3	Very low	198 Å²	198	66.3 Å²	66.3	93%	0.925	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-20.3	-175.2	-72.8	-178	-18.4	0	0	116.1
123	N	30.3	Very low	43.9	Very low	162 Å²	162	66.8 Å²	66.8	87%	0.866	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.8	13.3	174.8	-80.2	-43.8	0	0	0	114.7	G121	G121-N123 PolarHBondContact O-N 3.04Å
124	K	34	Very low	43.3	Very low	90 Å²	90	71.6 Å²	71.6	39%	0.391	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	125.7	-170.5	-65	-177.2	180	178.1	0	111.9	G121 R126	G121-K124 PolarHBondContact N-O 3.38Å; G121-K124 PolarHBondContact O-N 3.43Å; K124-R126 HydrophobicContact CB-CG 4.41Å
125	R	36.7	Very low	42.3	Very low	196 Å²	196	74.9 Å²	74.9	74%	0.74	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.3	161.2	-74	-179	170.6	159.8	5	109.1	E120	E120-R125 HydrophobicContact CG-CG 4.27Å; E120-R125 IonicContact OE1-CZ 3.55Å; E120-R125 IonicContact OE1-NE 2.83Å; E120-R125 PolarHBondContact OE1-NE 2.82Å; E120-R125 IonicContact OE1-NH2 3.43Å; E120-R125 PolarHBondContact OE1-NH2 3.43Å
126	R	43.1	Very low	41.4	Very low	77 Å²	77	77.1 Å²	77.1	29%	0.291	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.2	177.4	-60.9	-177.8	-179.8	175	1.3	110	V90 I119 K124	V90-R126 PolarHBondContact O-NH1 2.91Å; I119-R126 HydrophobicContact CB-CB 4.39Å; I119-R126 PolarHBondContact N-O 3.45Å; I119-R126 PolarHBondContact O-N 3.39Å; K124-R126 HydrophobicContact CB-CG 4.41Å
127	L	45.3	Very low	40.3	Very low	72 Å²	72	79 Å²	79	38%	0.377	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.7	165.8	-68.1	174.8	0	0	0	107.8	V80 L103 R116 F117 Y129	V80-L127 HydrophobicContact CG2-CB 4.33Å; L103-L127 HydrophobicContact CD1-CD2 3.35Å; R116-L127 HydrophobicContact CG-CD2 4.43Å; F117-L127 WeakPolarHBondContact O-CA 3.39Å; L127-Y129 HydrophobicContact CB-CE2 4.43Å
128	M	48.3	Very low	39.6	Very low	10 Å²	10	83.1 Å²	83.1	5%	0.049	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.8	174.9	-171.4	-177.9	66.2	0	0	109.3	I77 W97 R116 F117 I119 V130	I77-M128 HydrophobicContact CD1-SD 3.87Å; I77-M128 HydrophobicContact CG1-SD 4.26Å; I77-M128 HydrophobicContact CG2-CG 3.75Å; I77-M128 HydrophobicContact CG2-SD 3.65Å; W97-M128 HydrophobicContact CH2-CE 3.12Å; W97-M128 HydrophobicContact CH2-SD 3.93Å; W97-M128 HydrophobicContact CZ2-CE 3.17Å; W97-M128 HydrophobicContact CZ3-CE 4.3Å; R116-M128 CarbonylContact C-O 3.57Å; R116-M128 WeakPolarHBondContact CA-O 3.39Å; F117-M128 HydrophobicContact CB-CB 4.38Å; F117-M128 HydrophobicContact CB-CE 4.14Å; F117-M128 HydrophobicContact CD2-CE 3.74Å; F117-M128 HydrophobicContact CE2-CE 4.47Å; F117-M128 HydrophobicContact CG-CE 4.11Å; F117-M128 PolarHBondContact N-O 3.4Å; F117-M128 PolarHBondContact O-N 3.47Å; I119-M128 HydrophobicContact CD1-CB 3.61Å; I119-M128 HydrophobicContact CD1-CE 4.06Å; I119-M128 HydrophobicContact CD1-CG 4.14Å; I119-M128 HydrophobicContact CD1-SD 3.62Å; I119-M128 HydrophobicContact CG1-CB 4.15Å; M128-V130 HydrophobicContact CE-CG2 3.39Å; M128-V130 HydrophobicContact CG-CG2 4.32Å; M128-V130 HydrophobicContact SD-CG2 4.28Å
129	Y	48.2	Very low	39.1	Very low	24 Å²	24	83.8 Å²	83.8	9%	0.094	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.2	173.5	-64.7	-85	0	0	0	109.1	L76 V80 Y106 R115 R116 L127 W158	L76-Y129 VanDerWaalsContact O-O 3.08Å; V80-Y129 HydrophobicContact CG2-CD2 3.97Å; V80-Y129 HydrophobicContact CG2-CE2 3.7Å; Y106-Y129 HydrophobicContact CE1-CD1 4.17Å; Y106-Y129 WeakPolarHBondContact OH-CD1 2.89Å; R115-Y129 WeakPolarHBondContact O-CA 3.15Å; R116-Y129 HydrophobicContact CB-CD1 4.04Å; R116-Y129 HydrophobicContact CB-CE1 3.98Å; R116-Y129 HydrophobicContact CG-CD1 3.95Å; R116-Y129 HydrophobicContact CG-CE1 3.62Å; L127-Y129 HydrophobicContact CB-CE2 4.43Å; Y129-W158 AromaticContact CD1-CE3 3.99Å; Y129-W158 HydrophobicContact CD1-CE3 3.99Å; Y129-W158 AromaticContact CD1-CH2 3.91Å; Y129-W158 HydrophobicContact CD1-CH2 3.91Å; Y129-W158 AromaticContact CD1-CZ3 3.23Å; Y129-W158 HydrophobicContact CD1-CZ3 3.23Å; Y129-W158 AromaticContact CE1-CE3 3.88Å; Y129-W158 HydrophobicContact CE1-CE3 3.88Å; Y129-W158 AromaticContact CE1-CH2 3.27Å; Y129-W158 HydrophobicContact CE1-CH2 3.27Å; Y129-W158 HydrophobicContact CE1-CZ2 4.25Å; Y129-W158 AromaticContact CE1-CZ3 3.04Å; Y129-W158 HydrophobicContact CE1-CZ3 3.04Å; Y129-W158 HydrophobicContact CE2-CE3 4.49Å; Y129-W158 HydrophobicContact CE2-CZ3 4.41Å; Y129-W158 HydrophobicContact CG-CE3 4.29Å; Y129-W158 AromaticContact CG-CZ3 3.96Å; Y129-W158 HydrophobicContact CG-CZ3 3.96Å; Y129-W158 AromaticContact CZ-CH2 3.89Å; Y129-W158 AromaticContact CZ-CZ3 3.69Å
130	V	48.4	Very low	38.7	Very low	15 Å²	15	82.3 Å²	82.3	9%	0.091	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125	-176.9	177.6	0	0	0	0	106.9	Y75 G114 R115 F117 M128	Y75-V130 HydrophobicContact CD1-CG1 3.39Å; Y75-V130 HydrophobicContact CE1-CG1 3.98Å; Y75-V130 HydrophobicContact CG-CG1 4.43Å; G114-V130 CarbonylContact C-O 3.52Å; G114-V130 WeakPolarHBondContact CA-O 3.5Å; R115-V130 HydrophobicContact CB-CB 4.34Å; R115-V130 PolarHBondContact N-O 3Å; R115-V130 PolarHBondContact O-N 2.98Å; F117-V130 HydrophobicContact CD2-CB 4.28Å; F117-V130 HydrophobicContact CD2-CG2 3.63Å; F117-V130 HydrophobicContact CE2-CB 3.81Å; F117-V130 HydrophobicContact CE2-CG1 4.47Å; F117-V130 HydrophobicContact CE2-CG2 3.52Å; M128-V130 HydrophobicContact CE-CG2 3.39Å; M128-V130 HydrophobicContact CG-CG2 4.32Å; M128-V130 HydrophobicContact SD-CG2 4.28Å
131	F	48.8	Very low	38.7	Very low	13 Å²	13	78.4 Å²	78.4	6%	0.057	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.1	180	-55.7	-86.9	0	0	0	109	L76 Y106 L108 W158 F160	L76-F131 HydrophobicContact CB-CD2 4.44Å; Y106-F131 HydrophobicContact CE2-CD1 4.33Å; Y106-F131 AromaticContact CE2-CE1 3.7Å; Y106-F131 HydrophobicContact CE2-CE1 3.7Å; Y106-F131 AromaticContact CZ-CE1 3.73Å; Y106-F131 WeakPolarHBondContact OH-CE1 3.46Å; Y106-F131 WeakPolarHBondContact OH-CZ 3.07Å; L108-F131 HydrophobicContact CD1-CD1 4Å; L108-F131 HydrophobicContact CD1-CE1 4.09Å; F131-W158 HydrophobicContact CZ-CE3 4.44Å; F131-W158 HydrophobicContact CZ-CZ3 4.47Å; F131-F160 AromaticContact CD1-CE1 3.6Å; F131-F160 HydrophobicContact CD1-CE1 3.6Å; F131-F160 HydrophobicContact CD1-CZ 4.17Å; F131-F160 HydrophobicContact CD2-CD1 4.01Å; F131-F160 AromaticContact CD2-CE1 3.59Å; F131-F160 HydrophobicContact CD2-CE1 3.59Å; F131-F160 HydrophobicContact CE1-CD1 4.39Å; F131-F160 AromaticContact CE1-CE1 3.18Å; F131-F160 HydrophobicContact CE1-CE1 3.18Å; F131-F160 AromaticContact CE1-CZ 3.31Å; F131-F160 HydrophobicContact CE1-CZ 3.31Å; F131-F160 AromaticContact CE2-CD1 3.75Å; F131-F160 HydrophobicContact CE2-CD1 3.75Å; F131-F160 AromaticContact CE2-CE1 3.21Å; F131-F160 HydrophobicContact CE2-CE1 3.21Å; F131-F160 AromaticContact CE2-CZ 3.78Å; F131-F160 HydrophobicContact CE2-CZ 3.78Å; F131-F160 HydrophobicContact CG-CD1 4.48Å; F131-F160 AromaticContact CG-CE1 3.79Å; F131-F160 HydrophobicContact CG-CE1 3.79Å; F131-F160 AromaticContact CZ-CD1 3.97Å; F131-F160 HydrophobicContact CZ-CD1 3.97Å; F131-F160 AromaticContact CZ-CE1 3Å; F131-F160 HydrophobicContact CZ-CE1 3Å; F131-F160 HydrophobicContact CZ-CE2 4.2Å; F131-F160 AromaticContact CZ-CZ 3.11Å; F131-F160 HydrophobicContact CZ-CZ 3.11Å
132	S	40.1	Very low	38.8	Very low	22 Å²	22	79.6 Å²	79.6	15%	0.154	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.2	174.1	54.1	0	0	0	0	109.7	E113	E113-S132 PolarHBondContact N-O 2.74Å; E113-S132 PolarHBondContact O-N 2.78Å; E113-S132 PolarHBondContact O-OG 2.99Å
133	G	36	Very low	39.5	Very low	26 Å²	26	70.8 Å²	70.8	27%	0.268	35%	0.354	S	S	.	.	S	Bend	trans	-178.8	162.7	171.7	0	0	0	0	0	111.1	I135	G133-I135 VanDerWaalsContact C-N 3.27Å; G133-I135 PolarHBondContact O-N 3.19Å
134	L	32.8	Very low	40.2	Very low	178 Å²	178	63.9 Å²	63.9	93%	0.932	32%	0.317	S	S	*	.			trans	-71	86.6	169.9	-81.7	160.3	0	0	0	108.7	N136	L134-N136 PolarHBondContact O-N 2.78Å
135	I	36.3	Very low	40.6	Very low	69 Å²	69	64 Å²	64	35%	0.354	32%	0.32	S	S	.	.			trans	-74.8	105.4	174.8	-61.3	167.2	0	0	0	107.7	Y112 G133	Y112-I135 HydrophobicContact CD1-CG1 4.42Å; Y112-I135 HydrophobicContact CE1-CG1 3.55Å; G133-I135 VanDerWaalsContact C-N 3.27Å; G133-I135 PolarHBondContact O-N 3.19Å
136	N	32.4	Very low	41	Very low	94 Å²	94	60.9 Å²	60.9	50%	0.503	31%	0.307	S	S	.	.			trans	-66.6	130.7	156.4	-172.3	-14.1	0	0	0	107.3	L134 T138 K139 G140	L134-N136 PolarHBondContact O-N 2.78Å; N136-T138 PolarHBondContact O-N 3.09Å; N136-T138 PolarHBondContact OD1-OG1 3.36Å; N136-K139 HydrophobicContact CB-CB 4.45Å; N136-K139 HydrophobicContact CB-CD 4.41Å; N136-K139 HydrophobicContact CB-CG 4.31Å; N136-K139 PolarHBondContact O-N 3.19Å; N136-G140 PolarHBondContact O-N 3.43Å
137	K	32.7	Very low	41.1	Very low	102 Å²	102	58.6 Å²	58.6	44%	0.443	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-33.6	-169	-50.7	-161.3	176.9	-162.6	0	114	T164	K137-T164 WeakPolarHBondContact CA-OG1 2.91Å; K137-T164 HydrophobicContact CB-CG2 4.48Å; K137-T164 VanDerWaalsContact CB-OG1 3.28Å; K137-T164 WeakPolarHBondContact CB-OG1 3.39Å; K137-T164 HydrophobicContact CD-CG2 3.41Å; K137-T164 VanDerWaalsContact CD-CG2 3.41Å; K137-T164 HydrophobicContact CG-CG2 3.65Å; K137-T164 VanDerWaalsContact CG-OG1 3.31Å; K137-T164 WeakPolarHBondContact CG-OG1 3.44Å
138	T	35.1	Very low	41	Very low	95 Å²	95	60 Å²	60	58%	0.583	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-34	179.5	42.6	0	0	0	0	113.7	N136	N136-T138 PolarHBondContact O-N 3.09Å; N136-T138 PolarHBondContact OD1-OG1 3.36Å
139	K	37.8	Very low	40.6	Very low	123 Å²	123	65.3 Å²	65.3	54%	0.535	33%	0.329	S	S	.	.	H	α-helix	trans	-80.3	-18.8	-176.8	-65.6	-170.4	176.7	-175.1	0	113.8	N136 A141 L143	N136-K139 HydrophobicContact CB-CB 4.45Å; N136-K139 HydrophobicContact CB-CD 4.41Å; N136-K139 HydrophobicContact CB-CG 4.31Å; N136-K139 PolarHBondContact O-N 3.19Å; K139-A141 VanDerWaalsContact C-N 3.3Å; K139-L143 VanDerWaalsContact O-CB 3.27Å; K139-L143 WeakPolarHBondContact O-CB 3.47Å; K139-L143 PolarHBondContact O-N 2.93Å
140	G	37.6	Very low	40.3	Very low	7 Å²	7	71.3 Å²	71.3	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-33.7	175.2	0	0	0	0	0	112.6	N136 V144	N136-G140 PolarHBondContact O-N 3.43Å; G140-V144 WeakPolarHBondContact O-CG2 3.47Å; G140-V144 PolarHBondContact O-N 2.9Å
141	A	38.7	Very low	39.9	Very low	28 Å²	28	75.1 Å²	75.1	23%	0.231	37%	0.374	C	S	.	.	H	α-helix	trans	-71	-52	-179.7	0	0	0	0	0	110.9	K139 L143 V144 Q145 L162	K139-A141 VanDerWaalsContact C-N 3.3Å; A141-L143 VanDerWaalsContact C-N 3.31Å; A141-L143 PolarHBondContact O-N 3.29Å; A141-V144 WeakPolarHBondContact O-CB 3.18Å; A141-V144 PolarHBondContact O-N 3.06Å; A141-Q145 WeakPolarHBondContact O-CB 3.27Å; A141-Q145 PolarHBondContact O-N 3.21Å; A141-L162 HydrophobicContact CB-CD1 3.44Å; A141-L162 VanDerWaalsContact CB-CD1 3.44Å; A141-L162 HydrophobicContact CB-CD2 3.27Å; A141-L162 HydrophobicContact CB-CG 3.92Å
142	E	41.4	Very low	39.2	Very low	71 Å²	71	79.7 Å²	79.7	33%	0.332	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-35.4	-178.6	-72.4	-173.6	137.7	0	0	112	H30 Q145 R146	H30-E142 IonicContact CE1-OE1 3.7Å; H30-E142 IonicContact ND1-OE1 3.09Å; E142-Q145 PolarHBondContact O-N 3.31Å; E142-R146 VanDerWaalsContact O-CB 3.28Å; E142-R146 WeakPolarHBondContact O-CB 3.47Å; E142-R146 VanDerWaalsContact O-CG 3.27Å; E142-R146 WeakPolarHBondContact O-CG 3.34Å; E142-R146 PolarHBondContact O-N 2.92Å
143	L	45.4	Very low	38.6	Very low	13 Å²	13	86 Å²	86	7%	0.068	44%	0.437	C	S	.	.	H	α-helix	trans	-59.6	-52	172.3	173.3	74.8	0	0	0	110.4	L110 Y112 K139 A141 Q145 R146 M147	L110-L143 HydrophobicContact CB-CD1 3.81Å; L110-L143 HydrophobicContact CD1-CB 4.26Å; L110-L143 HydrophobicContact CD1-CD1 3.27Å; L110-L143 HydrophobicContact CD1-CG 4.37Å; L110-L143 HydrophobicContact CG-CD1 4.07Å; Y112-L143 HydrophobicContact CD1-CD2 4.14Å; Y112-L143 HydrophobicContact CD2-CD1 3.61Å; Y112-L143 HydrophobicContact CD2-CD2 3.41Å; Y112-L143 VanDerWaalsContact CD2-CD2 3.41Å; Y112-L143 HydrophobicContact CD2-CG 4.11Å; Y112-L143 HydrophobicContact CE1-CD2 4.1Å; Y112-L143 HydrophobicContact CE2-CB 4.32Å; Y112-L143 HydrophobicContact CE2-CD1 3.7Å; Y112-L143 HydrophobicContact CE2-CD2 3.32Å; Y112-L143 HydrophobicContact CE2-CG 3.96Å; Y112-L143 HydrophobicContact CG-CD2 3.82Å; K139-L143 VanDerWaalsContact O-CB 3.27Å; K139-L143 WeakPolarHBondContact O-CB 3.47Å; K139-L143 PolarHBondContact O-N 2.93Å; A141-L143 VanDerWaalsContact C-N 3.31Å; A141-L143 PolarHBondContact O-N 3.29Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 2.83Å; L143-R146 PolarHBondContact O-N 3.47Å; L143-M147 HydrophobicContact CD1-CG 4.37Å; L143-M147 HydrophobicContact CD1-SD 4.08Å; L143-M147 HydrophobicContact CG-SD 4.08Å; L143-M147 WeakPolarHBondContact O-CB 3.5Å; L143-M147 WeakPolarHBondContact O-CG 3.27Å; L143-M147 PolarHBondContact O-N 2.84Å
144	V	45.2	Very low	38.2	Very low	16 Å²	16	92.9 Å²	92.9	10%	0.097	46%	0.461	C	S	.	.	H	α-helix	trans	-58.1	-44.8	179.8	165	0	0	0	0	110.4	G140 A141 F148 F160	G140-V144 WeakPolarHBondContact O-CG2 3.47Å; G140-V144 PolarHBondContact O-N 2.9Å; A141-V144 WeakPolarHBondContact O-CB 3.18Å; A141-V144 PolarHBondContact O-N 3.06Å; V144-F148 HydrophobicContact CG1-CD2 4.08Å; V144-F148 HydrophobicContact CG1-CE2 3.58Å; V144-F148 WeakPolarHBondContact O-CD2 3.34Å; V144-F148 PolarHBondContact O-N 3.02Å; V144-F160 HydrophobicContact CB-CB 4.03Å; V144-F160 HydrophobicContact CG1-CB 3.59Å; V144-F160 HydrophobicContact CG2-CB 3.35Å; V144-F160 HydrophobicContact CG2-CD1 4.12Å; V144-F160 HydrophobicContact CG2-CG 3.93Å
145	Q	41.9	Very low	37.9	Very low	94 Å²	94	95 Å²	95	44%	0.439	46%	0.457	S	S	.	.	H	α-helix	trans	-68.9	-45.2	179.4	-170.5	171.1	-15.5	0	0	113.7	A141 E142 L143 M147 F148 E149	A141-Q145 WeakPolarHBondContact O-CB 3.27Å; A141-Q145 PolarHBondContact O-N 3.21Å; E142-Q145 PolarHBondContact O-N 3.31Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 2.83Å; Q145-M147 VanDerWaalsContact C-N 3.31Å; Q145-M147 PolarHBondContact O-N 2.94Å; Q145-F148 WeakPolarHBondContact O-CB 3.42Å; Q145-F148 PolarHBondContact O-N 3.42Å; Q145-E149 PolarHBondContact NE2-OE1 2.9Å; Q145-E149 PolarHBondContact O-N 3.37Å
146	R	44.8	Very low	37.4	Very low	129 Å²	129	98.2 Å²	98.2	49%	0.487	47%	0.471	S	S	.	.	H	α-helix	trans	-65	-33.4	177.5	-74.6	179.5	-177.9	-160.3	2.7	112.8	E142 L143 F148 E149 Q150	E142-R146 VanDerWaalsContact O-CB 3.28Å; E142-R146 WeakPolarHBondContact O-CB 3.47Å; E142-R146 VanDerWaalsContact O-CG 3.27Å; E142-R146 WeakPolarHBondContact O-CG 3.34Å; E142-R146 PolarHBondContact O-N 2.92Å; L143-R146 PolarHBondContact O-N 3.47Å; R146-F148 PolarHBondContact O-N 3.06Å; R146-E149 PolarHBondContact O-N 3.05Å; R146-Q150 WeakPolarHBondContact O-CB 3.36Å; R146-Q150 PolarHBondContact O-N 2.69Å
147	M	46.4	Very low	37.1	Very low	29 Å²	29	98.3 Å²	98.3	14%	0.143	47%	0.468	C	S	.	.	H	α-helix	trans	-65	-29.5	172.9	-73.3	-176.1	70.7	0	0	112.5	L108 L143 Q145 F160	L108-M147 HydrophobicContact CD1-CE 3.76Å; L108-M147 HydrophobicContact CD1-SD 3.62Å; L108-M147 HydrophobicContact CD2-CE 3.5Å; L108-M147 HydrophobicContact CD2-SD 4.21Å; L108-M147 HydrophobicContact CG-CE 4.27Å; L108-M147 HydrophobicContact CG-SD 4.47Å; L143-M147 HydrophobicContact CD1-CG 4.37Å; L143-M147 HydrophobicContact CD1-SD 4.08Å; L143-M147 HydrophobicContact CG-SD 4.08Å; L143-M147 WeakPolarHBondContact O-CB 3.5Å; L143-M147 WeakPolarHBondContact O-CG 3.27Å; L143-M147 PolarHBondContact O-N 2.84Å; Q145-M147 VanDerWaalsContact C-N 3.31Å; Q145-M147 PolarHBondContact O-N 2.94Å; M147-F160 HydrophobicContact CE-CE1 4.25Å; M147-F160 HydrophobicContact CE-CE2 3.49Å; M147-F160 VanDerWaalsContact CE-CE2 3.49Å; M147-F160 HydrophobicContact CE-CZ 3.24Å; M147-F160 HydrophobicContact SD-CE1 4.12Å; M147-F160 HydrophobicContact SD-CE2 3.91Å; M147-F160 HydrophobicContact SD-CZ 3.6Å; M147-F160 VanDerWaalsContact SD-CZ 3.6Å
148	F	41.6	Very low	37	Very low	102 Å²	102	95.3 Å²	95.3	45%	0.447	45%	0.454	S	S	.	.	H	α-helix	trans	-76.5	-40.3	172.9	-73.6	-63.6	0	0	0	112.7	V144 Q145 R146 W158	V144-F148 HydrophobicContact CG1-CD2 4.08Å; V144-F148 HydrophobicContact CG1-CE2 3.58Å; V144-F148 WeakPolarHBondContact O-CD2 3.34Å; V144-F148 PolarHBondContact O-N 3.02Å; Q145-F148 WeakPolarHBondContact O-CB 3.42Å; Q145-F148 PolarHBondContact O-N 3.42Å; R146-F148 PolarHBondContact O-N 3.06Å; F148-W158 VanDerWaalsContact CE1-O 3.29Å; F148-W158 WeakPolarHBondContact CE1-O 2.87Å
149	E	41	Very low	36.7	Very low	122 Å²	122	92.2 Å²	92.2	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-71.2	-36.9	-177.8	-71.7	169.4	-175.1	0	0	113.1	Q145 R146 Q151	Q145-E149 PolarHBondContact NE2-OE1 2.9Å; Q145-E149 PolarHBondContact O-N 3.37Å; R146-E149 PolarHBondContact O-N 3.05Å; E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 2.77Å
150	Q	41.3	Very low	36.2	Very low	150 Å²	150	87 Å²	87	70%	0.701	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.7	-179.5	-73.3	-173.3	-23.2	0	0	114.8	R146	R146-Q150 WeakPolarHBondContact O-CB 3.36Å; R146-Q150 PolarHBondContact O-N 2.69Å
151	Q	39.9	Very low	35.8	Very low	94 Å²	94	87.4 Å²	87.4	44%	0.439	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	33.2	-174.6	-68	-153.2	-14.7	0	0	114.5	E149 M153	E149-Q151 VanDerWaalsContact C-N 3.33Å; E149-Q151 PolarHBondContact O-N 2.77Å; Q151-M153 PolarHBondContact O-N 2.93Å
152	S	34.2	Very low	35.2	Very low	109 Å²	109	89 Å²	89	76%	0.762	42%	0.417	S	S	*	.			trans	-65.2	3.1	172.2	35.8	0	0	0	0	115
153	M	28.5	Very low	34.5	Very low	155 Å²	155	86.9 Å²	86.9	76%	0.764	41%	0.411	S	S	*	.	S	Bend	trans	-135.9	123.3	174.1	-60.3	-130.2	-136	0	0	111.3	Q151	Q151-M153 PolarHBondContact O-N 2.93Å
154	H	27.1	Very low	33.5	Very low	170 Å²	170	89 Å²	89	79%	0.787	42%	0.424	S	S	*	.	S	Bend	trans	89.9	109.4	171.2	-52	-60.2	0	0	0	118.4	Q156	H154-Q156 PolarHBondContact O-N 3.44Å
155	R	25.5	Very low	32.5	Very low	222 Å²	222	90.3 Å²	90.3	84%	0.838	44%	0.437	S	S	*	.	S	Bend	trans	-18.6	78.8	162.4	-70	179	173.8	176.9	0.6	115.9
156	Q	27.8	Very low	31.5	Very low	137 Å²	137	90.7 Å²	90.7	64%	0.64	45%	0.445	S	S	*	.			trans	-145.5	133.3	159.1	-67.7	-168.8	-13	0	0	108.5	H154	H154-Q156 PolarHBondContact O-N 3.44Å
157	Q	25.8	Very low	30.5	Very low	96 Å²	96	89.2 Å²	89.2	45%	0.449	45%	0.454	S	S	.	.			trans	-101.1	119.7	-175.2	-76.4	-177.3	-29.6	0	0	109.9	S81	S81-Q157 PolarHBondContact O-OE1 3.43Å; S81-Q157 VanDerWaalsContact OG-CD 3.24Å; S81-Q157 PolarHBondContact OG-NE2 3.18Å; S81-Q157 PolarHBondContact OG-OE1 3.44Å
158	W	29.6	Very low	29.2	Very low	40 Å²	40	95.3 Å²	95.3	15%	0.152	49%	0.486	C	S	.	.			trans	-122.7	135.8	175.3	-58.5	92	0	0	0	108.7	Y106 Y129 F131 F148 F160	Y106-W158 HydrophobicContact CE1-CH2 4.49Å; Y106-W158 HydrophobicContact CE1-CZ3 4.47Å; Y106-W158 HydrophobicContact CE2-CH2 4.41Å; Y106-W158 HydrophobicContact CE2-CZ3 4.18Å; Y106-W158 AromaticContact CZ-CZ3 3.84Å; Y129-W158 AromaticContact CD1-CE3 3.99Å; Y129-W158 HydrophobicContact CD1-CE3 3.99Å; Y129-W158 AromaticContact CD1-CH2 3.91Å; Y129-W158 HydrophobicContact CD1-CH2 3.91Å; Y129-W158 AromaticContact CD1-CZ3 3.23Å; Y129-W158 HydrophobicContact CD1-CZ3 3.23Å; Y129-W158 AromaticContact CE1-CE3 3.88Å; Y129-W158 HydrophobicContact CE1-CE3 3.88Å; Y129-W158 AromaticContact CE1-CH2 3.27Å; Y129-W158 HydrophobicContact CE1-CH2 3.27Å; Y129-W158 HydrophobicContact CE1-CZ2 4.25Å; Y129-W158 AromaticContact CE1-CZ3 3.04Å; Y129-W158 HydrophobicContact CE1-CZ3 3.04Å; Y129-W158 HydrophobicContact CE2-CE3 4.49Å; Y129-W158 HydrophobicContact CE2-CZ3 4.41Å; Y129-W158 HydrophobicContact CG-CE3 4.29Å; Y129-W158 AromaticContact CG-CZ3 3.96Å; Y129-W158 HydrophobicContact CG-CZ3 3.96Å; Y129-W158 AromaticContact CZ-CH2 3.89Å; Y129-W158 AromaticContact CZ-CZ3 3.69Å; F131-W158 HydrophobicContact CZ-CE3 4.44Å; F131-W158 HydrophobicContact CZ-CZ3 4.47Å; F148-W158 VanDerWaalsContact CE1-O 3.29Å; F148-W158 WeakPolarHBondContact CE1-O 2.87Å; W158-F160 HydrophobicContact CB-CD2 4.42Å; W158-F160 HydrophobicContact CB-CE2 3.86Å
159	I	29	Very low	28.3	Very low	30 Å²	30	97.5 Å²	97.5	15%	0.154	50%	0.502	C	S	.	.			trans	-129.4	129.7	-179.1	-67	154.3	0	0	0	106.4	W63 A78 P79	W63-I159 HydrophobicContact CE3-CD1 3.98Å; W63-I159 HydrophobicContact CE3-CG1 4.41Å; W63-I159 HydrophobicContact CE3-CG2 4.44Å; W63-I159 HydrophobicContact CH2-CD1 4.1Å; W63-I159 HydrophobicContact CH2-CG1 4.48Å; W63-I159 HydrophobicContact CZ3-CD1 3.32Å; W63-I159 HydrophobicContact CZ3-CG1 3.94Å; A78-I159 HydrophobicContact CB-CB 3.94Å; A78-I159 HydrophobicContact CB-CG2 3.96Å; A78-I159 WeakPolarHBondContact CB-O 3.45Å; P79-I159 WeakPolarHBondContact O-CD1 3.28Å
160	F	27.9	Very low	27.2	Very low	14 Å²	14	97.2 Å²	97.2	6%	0.061	51%	0.511	C	S	.	.			trans	-142.8	137.4	176.8	-61.6	-102.2	0	0	0	109.7	L76 F131 V144 M147 W158	L76-F160 HydrophobicContact CD2-CB 3.93Å; L76-F160 HydrophobicContact CD2-CD1 3.9Å; L76-F160 HydrophobicContact CD2-CG 4.36Å; F131-F160 AromaticContact CD1-CE1 3.6Å; F131-F160 HydrophobicContact CD1-CE1 3.6Å; F131-F160 HydrophobicContact CD1-CZ 4.17Å; F131-F160 HydrophobicContact CD2-CD1 4.01Å; F131-F160 AromaticContact CD2-CE1 3.59Å; F131-F160 HydrophobicContact CD2-CE1 3.59Å; F131-F160 HydrophobicContact CE1-CD1 4.39Å; F131-F160 AromaticContact CE1-CE1 3.18Å; F131-F160 HydrophobicContact CE1-CE1 3.18Å; F131-F160 AromaticContact CE1-CZ 3.31Å; F131-F160 HydrophobicContact CE1-CZ 3.31Å; F131-F160 AromaticContact CE2-CD1 3.75Å; F131-F160 HydrophobicContact CE2-CD1 3.75Å; F131-F160 AromaticContact CE2-CE1 3.21Å; F131-F160 HydrophobicContact CE2-CE1 3.21Å; F131-F160 AromaticContact CE2-CZ 3.78Å; F131-F160 HydrophobicContact CE2-CZ 3.78Å; F131-F160 HydrophobicContact CG-CD1 4.48Å; F131-F160 AromaticContact CG-CE1 3.79Å; F131-F160 HydrophobicContact CG-CE1 3.79Å; F131-F160 AromaticContact CZ-CD1 3.97Å; F131-F160 HydrophobicContact CZ-CD1 3.97Å; F131-F160 AromaticContact CZ-CE1 3Å; F131-F160 HydrophobicContact CZ-CE1 3Å; F131-F160 HydrophobicContact CZ-CE2 4.2Å; F131-F160 AromaticContact CZ-CZ 3.11Å; F131-F160 HydrophobicContact CZ-CZ 3.11Å; V144-F160 HydrophobicContact CB-CB 4.03Å; V144-F160 HydrophobicContact CG1-CB 3.59Å; V144-F160 HydrophobicContact CG2-CB 3.35Å; V144-F160 HydrophobicContact CG2-CD1 4.12Å; V144-F160 HydrophobicContact CG2-CG 3.93Å; M147-F160 HydrophobicContact CE-CE1 4.25Å; M147-F160 HydrophobicContact CE-CE2 3.49Å; M147-F160 VanDerWaalsContact CE-CE2 3.49Å; M147-F160 HydrophobicContact CE-CZ 3.24Å; M147-F160 HydrophobicContact SD-CE1 4.12Å; M147-F160 HydrophobicContact SD-CE2 3.91Å; M147-F160 HydrophobicContact SD-CZ 3.6Å; M147-F160 VanDerWaalsContact SD-CZ 3.6Å; W158-F160 HydrophobicContact CB-CD2 4.42Å; W158-F160 HydrophobicContact CB-CE2 3.86Å
161	P	29.4	Very low	26.2	Very low	15 Å²	15	101.7 Å²	101.7	10%	0.097	52%	0.521	C	S	.	.			trans	-128	123.4	147.2	36.7	-32	0	0	0	111.5	V55 A65 Y67 L76	V55-P161 HydrophobicContact CG2-CB 3.97Å; V55-P161 HydrophobicContact CG2-CG 3.96Å; A65-P161 HydrophobicContact CB-CG 3.11Å; Y67-P161 WeakPolarHBondContact CE1-O 3.27Å; Y67-P161 HydrophobicContact CE2-CG 4.1Å; Y67-P161 WeakPolarHBondContact OH-CB 3.48Å; Y67-P161 VanDerWaalsContact OH-CG 3.27Å; Y67-P161 WeakPolarHBondContact OH-CG 3.4Å; Y67-P161 PolarHBondContact OH-O 2.66Å; L76-P161 HydrophobicContact CD1-CG 4.24Å; L76-P161 WeakPolarHBondContact CD1-O 2.97Å; L76-P161 WeakPolarHBondContact CD2-O 3.05Å
162	L	24.7	Very low	25.6	Very low	62 Å²	62	109 Å²	109	33%	0.325	56%	0.562	S	S	.	*				29.2	96.4	94	-167.2	56.5	0	0	0	119.2	Y67 A141	Y67-L162 PolarHBondContact OH-O 3.19Å; A141-L162 HydrophobicContact CB-CD1 3.44Å; A141-L162 VanDerWaalsContact CB-CD1 3.44Å; A141-L162 HydrophobicContact CB-CD2 3.27Å; A141-L162 HydrophobicContact CB-CG 3.92Å
163	A	27.1	Very low	25.2	Very low	25 Å²	25	109.1 Å²	109.1	21%	0.207	55%	0.552	C	S	.	*			trans	-175.9	136.7	146.9	0	0	0	0	0	110.6	F25 I53 Y67	F25-A163 HydrophobicContact CZ-CB 4.45Å; I53-A163 HydrophobicContact CD1-CB 3.47Å; I53-A163 VanDerWaalsContact CD1-CB 3.47Å; Y67-A163 HydrophobicContact CE1-CB 3.79Å
164	T	24.6	Very low	25	Very low	57 Å²	57	106.6 Å²	106.6	35%	0.35	54%	0.541	S	S	.	.			trans	-106	126.6	163.9	-41.6	0	0	0	0	109	K137	K137-T164 WeakPolarHBondContact CA-OG1 2.91Å; K137-T164 HydrophobicContact CB-CG2 4.48Å; K137-T164 VanDerWaalsContact CB-OG1 3.28Å; K137-T164 WeakPolarHBondContact CB-OG1 3.39Å; K137-T164 HydrophobicContact CD-CG2 3.41Å; K137-T164 VanDerWaalsContact CD-CG2 3.41Å; K137-T164 HydrophobicContact CG-CG2 3.65Å; K137-T164 VanDerWaalsContact CG-OG1 3.31Å; K137-T164 WeakPolarHBondContact CG-OG1 3.44Å
165	A	24.8	Very low	24.9	Very low	44 Å²	44	103.1 Å²	103.1	36%	0.364	53%	0.527	S	S	.	.			trans	-78.3	126.3	160.5	0	0	0	0	0	108.8	L51 F69	L51-A165 HydrophobicContact CD2-CB 4.02Å; F69-A165 HydrophobicContact CE2-CB 4.13Å; F69-A165 HydrophobicContact CZ-CB 3.82Å
166	V	21.6	Very low	24.8	Very low	102 Å²	102	96.1 Å²	96.1	62%	0.618	51%	0.509	S	S	*	.			trans	-82.9	109.3	155.5	173.4	0	0	0	0	104.9	L168	V166-L168 HydrophobicContact CG1-CD1 4.24Å; V166-L168 HydrophobicContact CG1-CG 3.9Å
167	C	22.5	Very low	24.7	Very low	99 Å²	99	93.6 Å²	93.6	67%	0.669	50%	0.501	S	S	*	.			trans	-102.5	100.9	159	-144.1	0	0	0	0	106.4	L169	C167-L169 PolarHBondContact O-N 2.75Å
168	L	20.3	Very low	24.6	Very low	156 Å²	156	93.4 Å²	93.4	82%	0.817	50%	0.504	S	S	*	.			trans	-74.2	103.3	163.3	-79.6	159	0	0	0	105.9	V166	V166-L168 HydrophobicContact CG1-CD1 4.24Å; V166-L168 HydrophobicContact CG1-CG 3.9Å
169	L	21.3	Very low	24.2	Very low	148 Å²	148	97.2 Å²	97.2	78%	0.775	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-79	133.8	160.8	-74.2	168.7	0	0	0	107.7	C167 R171	C167-L169 PolarHBondContact O-N 2.75Å; L169-R171 PolarHBondContact O-N 3.01Å
170	P	19.2	Very low	23.9	Very low	117 Å²	117	102.4 Å²	102.4	76%	0.76	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-59.9	139.5	169	26.6	-30.2	0	0	0	108.3	L172	P170-L172 PolarHBondContact O-N 3.35Å
171	R	20.1	Very low	23.5	Very low	244 Å²	244	109.8 Å²	109.8	92%	0.921	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-54.8	139	162	-78.5	-178.6	174.2	175.5	-2.4	107.4	L169	L169-R171 PolarHBondContact O-N 3.01Å
172	L	26.7	Very low	23	Very low	248 Å²	248	118.4 Å²	118.4	100%	1.298	65%	0.646	S	S	*	*			trans	-38.5	0	165	-73.4	162.5	0	0	0	111.4	P170	P170-L172 PolarHBondContact O-N 3.35Å

Retrieved 172 of 172 residues in 167.4 ms (Link to these results)

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