A0A3Q0KSA4_SCHMA Loading...

DUF3421 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 155 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	67	Low	80.1	Confident	85 Å²	85	84.8 Å²	84.8	42%	0.419	45%	0.445	S	S	.	.				0	127.3	0	-68.5	-176	-72.8	0	0	111.8	L8 Q9 I10 W152	M1-L8 HydrophobicContact SD-CD1 4.03Å; M1-Q9 CarbonylContact C-O 3.57Å; M1-Q9 VanDerWaalsContact C-O 3.32Å; M1-Q9 WeakPolarHBondContact CA-O 3.37Å; M1-I10 HydrophobicContact CG-CG1 4.29Å; M1-W152 HydrophobicContact CB-CZ2 4.13Å; M1-W152 VanDerWaalsContact O-CE2 3.29Å; M1-W152 VanDerWaalsContact O-CZ2 3.26Å; M1-W152 WeakPolarHBondContact O-CZ2 3.07Å; M1-W152 PolarHBondContact O-NE1 3.38Å
2	A	69.9	Low	81.3	Confident	1 Å²	1	79.6 Å²	79.6	1%	0.008	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.7	172.2	0	0	0	0	0	109.4	Q9 C81	A2-Q9 HydrophobicContact CB-CB 4.31Å; A2-Q9 PolarHBondContact N-O 3.23Å; A2-Q9 PolarHBondContact O-N 3.47Å; A2-C81 WeakPolarHBondContact CB-SG 3.45Å
3	K	72.2	Confident	82.5	Confident	154 Å²	154	76.7 Å²	76.7	67%	0.67	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	125.2	173.5	-173.8	178	177.3	-177.9	0	109.4	G5	K3-G5 WeakPolarHBondContact CE-O 3.35Å
4	V	74.2	Confident	83.6	Confident	75 Å²	75	74.9 Å²	74.9	46%	0.455	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	104.4	173.7	-176.9	0	0	0	0	108.1	R6 G7 Q9	V4-R6 PolarHBondContact O-N 3.18Å; V4-R6 VanDerWaalsContact O-N 3.12Å; V4-G7 PolarHBondContact N-O 2.71Å; V4-G7 PolarHBondContact O-N 2.62Å; V4-Q9 HydrophobicContact CG2-CB 3.87Å
5	G	81.5	Confident	84.6	Confident	62 Å²	62	73.7 Å²	73.7	64%	0.639	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	-115.4	-170	0	0	0	0	0	111.4	K3	K3-G5 WeakPolarHBondContact CE-O 3.35Å
6	R	85	Confident	85.5	Confident	258 Å²	258	74.9 Å²	74.9	97%	0.974	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-7	173.8	-64.1	-173.3	-177.1	-175.2	1.6	113.8	V4	V4-R6 PolarHBondContact O-N 3.18Å; V4-R6 VanDerWaalsContact O-N 3.12Å
7	G	84.6	Confident	86.2	Confident	38 Å²	38	71 Å²	71	39%	0.392	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	170.8	-177	0	0	0	0	0	113.6	V4	V4-G7 PolarHBondContact N-O 2.71Å; V4-G7 PolarHBondContact O-N 2.62Å
8	L	82.9	Confident	86.9	Confident	126 Å²	126	74.1 Å²	74.1	66%	0.66	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.7	171.2	-64.6	170.3	0	0	0	108.9	M1	M1-L8 HydrophobicContact SD-CD1 4.03Å
9	Q	84.3	Confident	87.4	Confident	20 Å²	20	74.6 Å²	74.6	9%	0.093	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.2	172.3	-169.7	-65.9	-36.4	0	0	107.8	M1 A2 V4 P11 T75 I77	M1-Q9 CarbonylContact C-O 3.57Å; M1-Q9 VanDerWaalsContact C-O 3.32Å; M1-Q9 WeakPolarHBondContact CA-O 3.37Å; A2-Q9 HydrophobicContact CB-CB 4.31Å; A2-Q9 PolarHBondContact N-O 3.23Å; A2-Q9 PolarHBondContact O-N 3.47Å; V4-Q9 HydrophobicContact CG2-CB 3.87Å; Q9-P11 VanDerWaalsContact OE1-CA 3.31Å; Q9-P11 VanDerWaalsContact OE1-N 3.13Å; Q9-T75 PolarHBondContact NE2-O 3.32Å; Q9-I77 HydrophobicContact CG-CD1 3.85Å; Q9-I77 HydrophobicContact CG-CG1 3.92Å
10	I	87.9	Confident	87.8	Confident	110 Å²	110	71.7 Å²	71.7	56%	0.564	38%	0.379	S	S	*	.			trans	-100.6	110.3	177	-58	174.5	0	0	0	108.4	M1 L12	M1-I10 HydrophobicContact CG-CG1 4.29Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 WeakPolarHBondContact CG2-O 3.44Å; I10-L12 PolarHBondContact O-N 2.88Å
11	P	91.3	Very high	88.3	Confident	4 Å²	4	73.9 Å²	73.9	3%	0.026	39%	0.386	C	S	.	.			trans	-86.4	-3.6	-166.5	33.7	-37.5	0	0	0	114.2	Q9 E74 T75 F76 K82	Q9-P11 VanDerWaalsContact OE1-CA 3.31Å; Q9-P11 VanDerWaalsContact OE1-N 3.13Å; P11-E74 WeakPolarHBondContact O-CA 3.14Å; P11-T75 PolarHBondContact O-N 3.01Å; P11-F76 HydrophobicContact CB-CB 3.79Å; P11-F76 PolarHBondContact O-N 2.82Å; P11-K82 WeakPolarHBondContact CB-O 3.19Å; P11-K82 WeakPolarHBondContact CG-O 2.89Å
12	L	95.4	Very high	89.7	Confident	22 Å²	22	72 Å²	72	12%	0.115	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140	-175.7	-69.4	173.1	0	0	0	110	I10 V27 L72 C73 E74 Y84 I99 L150	I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 WeakPolarHBondContact CG2-O 3.44Å; I10-L12 PolarHBondContact O-N 2.88Å; L12-V27 HydrophobicContact CD2-CG2 3.9Å; L12-L72 HydrophobicContact CB-CD1 3.99Å; L12-L72 HydrophobicContact CD1-CD2 4.38Å; L12-L72 HydrophobicContact CD2-CD1 4.44Å; L12-L72 HydrophobicContact CD2-CG 4.22Å; L12-C73 WeakPolarHBondContact CA-O 3.36Å; L12-E74 HydrophobicContact CD2-CG 4.44Å; L12-Y84 HydrophobicContact CD1-CD1 3.76Å; L12-Y84 HydrophobicContact CD1-CE1 4.37Å; L12-Y84 HydrophobicContact CD1-CG 3.98Å; L12-Y84 HydrophobicContact CD2-CD1 3.9Å; L12-Y84 HydrophobicContact CD2-CE1 3.71Å; L12-Y84 HydrophobicContact CG-CD1 3.94Å; L12-Y84 HydrophobicContact CG-CE1 4.27Å; L12-I99 HydrophobicContact CD1-CD1 3.66Å; L12-L150 HydrophobicContact CD1-CD2 4.35Å
13	S	96.4	Very high	91	Very high	42 Å²	42	72.7 Å²	72.7	29%	0.294	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	142.9	175.1	-58	0	0	0	0	110.8	C73 T75	S13-C73 PolarHBondContact N-O 2.86Å; S13-C73 PolarHBondContact O-N 3.34Å; S13-T75 PolarHBondContact OG-OG1 2.84Å
14	W	98.3	Very high	92.1	Very high	51 Å²	51	70.2 Å²	70.2	19%	0.193	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	119.5	169.5	-68	104	0	0	0	108.6	V34 R36 E70 L72 A101 I112	W14-V34 HydrophobicContact CH2-CG1 4.09Å; W14-V34 HydrophobicContact CZ3-CG1 4.49Å; W14-R36 VanDerWaalsContact CD1-NH2 3.33Å; W14-R36 HydrophobicContact CD2-CG 4.24Å; W14-R36 HydrophobicContact CE3-CG 3.74Å; W14-R36 VanDerWaalsContact CG-NH2 3.32Å; W14-R36 HydrophobicContact CH2-CB 4.13Å; W14-R36 HydrophobicContact CH2-CG 3.97Å; W14-R36 HydrophobicContact CZ2-CG 4.44Å; W14-R36 HydrophobicContact CZ3-CB 4.02Å; W14-R36 HydrophobicContact CZ3-CG 3.6Å; W14-E70 HydrophobicContact CB-CB 4.14Å; W14-E70 HydrophobicContact CE3-CB 4.03Å; W14-L72 HydrophobicContact CD2-CB 4.44Å; W14-L72 HydrophobicContact CD2-CD1 3.97Å; W14-L72 HydrophobicContact CE3-CB 3.95Å; W14-L72 HydrophobicContact CE3-CD1 4.34Å; W14-L72 HydrophobicContact CG-CD1 4.44Å; W14-L72 HydrophobicContact CH2-CB 3.88Å; W14-L72 HydrophobicContact CH2-CD1 4.37Å; W14-L72 HydrophobicContact CH2-CD2 4.5Å; W14-L72 HydrophobicContact CH2-CG 4.49Å; W14-L72 HydrophobicContact CZ2-CB 4.36Å; W14-L72 HydrophobicContact CZ2-CD1 3.99Å; W14-L72 HydrophobicContact CZ3-CB 3.65Å; W14-A101 HydrophobicContact CH2-CB 4.23Å; W14-A101 HydrophobicContact CZ2-CB 3.77Å; W14-I112 HydrophobicContact CH2-CD1 4.25Å; W14-I112 HydrophobicContact CZ2-CD1 3.97Å
15	I	98.3	Very high	93.1	Very high	57 Å²	57	68.3 Å²	68.3	29%	0.292	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.2	-178.3	-53.4	-60.3	0	0	0	108.3	G17 P23 E70 V71 C73	I15-G17 PolarHBondContact O-N 2.62Å; I15-P23 HydrophobicContact CB-CG 3.96Å; I15-P23 HydrophobicContact CG2-CB 4.28Å; I15-P23 HydrophobicContact CG2-CG 3.72Å; I15-E70 CarbonylContact O-C 3.11Å; I15-E70 WeakPolarHBondContact O-CA 3.33Å; I15-V71 PolarHBondContact N-O 3.47Å; I15-V71 PolarHBondContact O-N 3.37Å; I15-C73 HydrophobicContact CG1-CB 3.9Å
16	P	98.3	Very high	93.9	Very high	93 Å²	93	66 Å²	66	60%	0.604	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	139.1	176.2	-25.3	34.6	0	0	0	111.8
17	G	97.7	Very high	94.5	Very high	9 Å²	9	54.1 Å²	54.1	9%	0.093	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	161.1	175.5	0	0	0	0	0	111.2	I15 Y69	I15-G17 PolarHBondContact O-N 2.62Å; G17-Y69 PolarHBondContact N-O 2.93Å; G17-Y69 PolarHBondContact O-N 3.12Å
18	R	98.4	Very high	95.1	Very high	127 Å²	127	55.5 Å²	55.5	48%	0.479	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	157.2	176.3	63.5	176.6	-68.8	116.1	-0.2	112.4	G20 F21 Y67 D68 Y69	R18-G20 PolarHBondContact O-N 2.79Å; R18-G20 VanDerWaalsContact O-N 3.09Å; R18-F21 WeakPolarHBondContact O-CB 3.06Å; R18-F21 PolarHBondContact O-N 2.76Å; R18-Y67 CarbonylContact C-O 3.55Å; R18-Y67 WeakPolarHBondContact CA-O 3.3Å; R18-D68 IonicContact CZ-OD1 2.67Å; R18-D68 IonicContact NH1-OD1 3.88Å; R18-D68 PolarHBondContact NH1-OD1 3.13Å; R18-D68 IonicContact NH1-OD2 3.78Å; R18-Y69 PolarHBondContact O-OH 3Å
19	D	97.5	Very high	95.7	Very high	84 Å²	84	51.4 Å²	51.4	45%	0.449	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	38	168.5	-55.7	-42	0	0	0	113.9	G53 Y67	D19-G53 CarbonylContact C-O 3.56Å; D19-G53 WeakPolarHBondContact CA-O 3.47Å; D19-Y67 PolarHBondContact N-O 3.25Å; D19-Y67 VanDerWaalsContact N-O 3.07Å; D19-Y67 WeakPolarHBondContact OD1-CD1 3.13Å
20	G	95.2	Very high	96.1	Very high	16 Å²	16	56.3 Å²	56.3	17%	0.165	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-4.5	-179.6	0	0	0	0	0	115.5	R18 C22 G53 Y69	R18-G20 PolarHBondContact O-N 2.79Å; R18-G20 VanDerWaalsContact O-N 3.09Å; G20-C22 PolarHBondContact O-N 2.91Å; G20-C22 VanDerWaalsContact O-N 3.13Å; G20-G53 PolarHBondContact N-O 3.02Å; G20-G53 VanDerWaalsContact N-O 3.17Å; G20-Y69 WeakPolarHBondContact CA-OH 3.21Å; G20-Y69 PolarHBondContact N-OH 2.96Å
21	F	97.6	Very high	96.4	Very high	118 Å²	118	57.9 Å²	57.9	52%	0.518	34%	0.34	S	S	.	.			trans	-56.1	121.1	171.8	178.8	-107.8	0	0	0	110.4	R18 P23 Y69	R18-F21 WeakPolarHBondContact O-CB 3.06Å; R18-F21 PolarHBondContact O-N 2.76Å; F21-P23 HydrophobicContact CD1-CG 4.26Å; F21-P23 HydrophobicContact CE1-CB 4.32Å; F21-P23 HydrophobicContact CE1-CG 3.71Å; F21-P23 HydrophobicContact CZ-CB 4.48Å; F21-P23 HydrophobicContact CZ-CG 4.34Å; F21-Y69 PolarHBondContact N-OH 3.45Å; F21-Y69 WeakPolarHBondContact O-CE2 3.26Å; F21-Y69 PolarHBondContact O-OH 3.38Å
22	C	97.3	Very high	96.6	Very high	44 Å²	44	59 Å²	59	30%	0.297	35%	0.345	S	S	.	.			trans	-121.8	112.4	176.8	-175.4	0	0	0	0	108.1	G20 A26 C33 L48 P50	G20-C22 PolarHBondContact O-N 2.91Å; G20-C22 VanDerWaalsContact O-N 3.13Å; C22-A26 VanDerWaalsContact SG-CB 3.53Å; C22-C33 PolarHBondContact SG-SG 3.46Å; C22-L48 HydrophobicContact CB-CD2 4.04Å; C22-P50 HydrophobicContact CB-CB 4.39Å; C22-P50 HydrophobicContact CB-CG 3.97Å
23	P	96.8	Very high	96.8	Very high	17 Å²	17	58.2 Å²	58.2	11%	0.11	34%	0.341	C	S	.	.			trans	-64.6	155.2	178.8	-16.6	27.3	0	0	0	112.7	I15 F21 A26 V71	I15-P23 HydrophobicContact CB-CG 3.96Å; I15-P23 HydrophobicContact CG2-CB 4.28Å; I15-P23 HydrophobicContact CG2-CG 3.72Å; F21-P23 HydrophobicContact CD1-CG 4.26Å; F21-P23 HydrophobicContact CE1-CB 4.32Å; F21-P23 HydrophobicContact CE1-CG 3.71Å; F21-P23 HydrophobicContact CZ-CB 4.48Å; F21-P23 HydrophobicContact CZ-CG 4.34Å; P23-A26 WeakPolarHBondContact O-CB 3.36Å; P23-A26 PolarHBondContact O-N 3.18Å; P23-V71 HydrophobicContact CG-CB 4.35Å
24	A	95.3	Very high	96.9	Very high	101 Å²	101	56.2 Å²	56.2	84%	0.835	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	140.9	169.6	0	0	0	0	0	110.8
25	G	95.4	Very high	96.9	Very high	36 Å²	36	53.8 Å²	53.8	37%	0.371	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	10.3	-178	0	0	0	0	0	114.6	V27 C73 E74	G25-V27 PolarHBondContact O-N 2.98Å; G25-C73 CarbonylContact O-C 3.32Å; G25-C73 WeakPolarHBondContact O-CA 3.19Å; G25-E74 PolarHBondContact O-N 3.18Å
26	A	97.8	Very high	96.9	Very high	14 Å²	14	52.7 Å²	52.7	12%	0.116	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-55.7	129.7	174.1	0	0	0	0	0	112.1	C22 P23 S28 C33 V71	C22-A26 VanDerWaalsContact SG-CB 3.53Å; P23-A26 WeakPolarHBondContact O-CB 3.36Å; P23-A26 PolarHBondContact O-N 3.18Å; A26-S28 PolarHBondContact O-N 2.77Å; A26-S28 VanDerWaalsContact O-N 3.15Å; A26-S28 PolarHBondContact O-OG 3.45Å; A26-S28 VanDerWaalsContact O-OG 3.14Å; A26-C33 HydrophobicContact CB-CB 4.25Å; A26-V71 HydrophobicContact CB-CG1 3.64Å
27	V	97.6	Very high	96.9	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	28%	0.283	C	S	.	.			trans	-65.9	114.4	172.7	-179.6	0	0	0	0	107.9	L12 G25 C33 V34 L72 E74 W86	L12-V27 HydrophobicContact CD2-CG2 3.9Å; G25-V27 PolarHBondContact O-N 2.98Å; V27-C33 CarbonylContact O-C 3.52Å; V27-C33 WeakPolarHBondContact O-CA 3.39Å; V27-V34 HydrophobicContact CB-CB 4.36Å; V27-V34 HydrophobicContact CB-CG2 4.17Å; V27-V34 HydrophobicContact CG1-CG2 3.86Å; V27-V34 PolarHBondContact O-N 3.41Å; V27-L72 HydrophobicContact CG2-CD2 4.28Å; V27-L72 HydrophobicContact CG2-CG 4.16Å; V27-L72 PolarHBondContact N-O 2.88Å; V27-E74 HydrophobicContact CG2-CG 4.19Å; V27-W86 HydrophobicContact CG1-CZ2 4.39Å
28	S	97.1	Very high	97	Very high	66 Å²	66	55.3 Å²	55.3	46%	0.462	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.6	-169.1	53.3	0	0	0	0	113.7	A26 I32	A26-S28 PolarHBondContact O-N 2.77Å; A26-S28 VanDerWaalsContact O-N 3.15Å; A26-S28 PolarHBondContact O-OG 3.45Å; A26-S28 VanDerWaalsContact O-OG 3.14Å; S28-I32 CarbonylContact C-O 3.54Å; S28-I32 WeakPolarHBondContact CA-O 2.93Å; S28-I32 WeakPolarHBondContact CB-O 3.41Å
29	V	96.1	Very high	96.9	Very high	40 Å²	40	51.7 Å²	51.7	24%	0.242	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.8	168.8	175.1	0	0	0	0	106.5	N31 I32 T121 F123	V29-N31 VanDerWaalsContact C-N 3.29Å; V29-N31 PolarHBondContact O-N 3.39Å; V29-N31 VanDerWaalsContact O-N 3.16Å; V29-I32 PolarHBondContact N-O 3.01Å; V29-I32 WeakPolarHBondContact O-CA 3.36Å; V29-I32 WeakPolarHBondContact O-CB 3.4Å; V29-I32 PolarHBondContact O-N 2.83Å; V29-I32 VanDerWaalsContact O-O 3.13Å; V29-T121 HydrophobicContact CB-CG2 4.2Å; V29-T121 HydrophobicContact CG1-CG2 3.94Å; V29-F123 HydrophobicContact CB-CZ 4.07Å; V29-F123 HydrophobicContact CG2-CZ 3.92Å
30	D	92.8	Very high	96.8	Very high	124 Å²	124	51.3 Å²	51.3	66%	0.663	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	43.1	176.1	-56	-33.2	0	0	0	114.9	I32	D30-I32 PolarHBondContact O-N 2.9Å
31	N	93.3	Very high	96.8	Very high	143 Å²	143	53.7 Å²	53.7	77%	0.765	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	4.6	-176.6	-50.1	-67.3	0	0	0	115.7	V29 P50	V29-N31 VanDerWaalsContact C-N 3.29Å; V29-N31 PolarHBondContact O-N 3.39Å; V29-N31 VanDerWaalsContact O-N 3.16Å; N31-P50 VanDerWaalsContact O-CD 3.22Å; N31-P50 WeakPolarHBondContact O-CD 3.12Å
32	I	97	Very high	96.7	Very high	27 Å²	27	48.9 Å²	48.9	14%	0.138	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.6	170.4	-58	177	0	0	0	107.2	S28 V29 D30 K47 L48 F123	S28-I32 CarbonylContact C-O 3.54Å; S28-I32 WeakPolarHBondContact CA-O 2.93Å; S28-I32 WeakPolarHBondContact CB-O 3.41Å; V29-I32 PolarHBondContact N-O 3.01Å; V29-I32 WeakPolarHBondContact O-CA 3.36Å; V29-I32 WeakPolarHBondContact O-CB 3.4Å; V29-I32 PolarHBondContact O-N 2.83Å; V29-I32 VanDerWaalsContact O-O 3.13Å; D30-I32 PolarHBondContact O-N 2.9Å; I32-K47 HydrophobicContact CG2-CB 3.53Å; I32-K47 HydrophobicContact CG2-CD 4.11Å; I32-K47 HydrophobicContact CG2-CG 4.22Å; I32-L48 WeakPolarHBondContact CA-O 3.43Å; I32-F123 HydrophobicContact CB-CE2 4.43Å; I32-F123 HydrophobicContact CG2-CD2 3.87Å; I32-F123 HydrophobicContact CG2-CE2 4.08Å; I32-F123 WeakPolarHBondContact O-CE2 3.16Å
33	C	98.2	Very high	96.8	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.034	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.1	-177.1	-53.9	0	0	0	0	111.5	C22 A26 V27 A35 K47 L48 V71	C22-C33 PolarHBondContact SG-SG 3.46Å; A26-C33 HydrophobicContact CB-CB 4.25Å; V27-C33 CarbonylContact O-C 3.52Å; V27-C33 WeakPolarHBondContact O-CA 3.39Å; C33-A35 PolarHBondContact O-N 2.88Å; C33-K47 CarbonylContact O-C 3.51Å; C33-K47 WeakPolarHBondContact O-CA 3.39Å; C33-L48 HydrophobicContact CB-CB 4.16Å; C33-L48 HydrophobicContact CB-CD2 4.43Å; C33-L48 PolarHBondContact N-O 3.34Å; C33-L48 PolarHBondContact O-N 3.42Å; C33-V71 HydrophobicContact CB-CG1 4.21Å
34	V	98.7	Very high	96.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	121.6	168.9	177.6	0	0	0	0	108.6	W14 V27 L72 W86 I112 F123	W14-V34 HydrophobicContact CH2-CG1 4.09Å; W14-V34 HydrophobicContact CZ3-CG1 4.49Å; V27-V34 HydrophobicContact CB-CB 4.36Å; V27-V34 HydrophobicContact CB-CG2 4.17Å; V27-V34 HydrophobicContact CG1-CG2 3.86Å; V27-V34 PolarHBondContact O-N 3.41Å; V34-L72 HydrophobicContact CB-CB 4.05Å; V34-L72 HydrophobicContact CB-CD2 4.46Å; V34-L72 HydrophobicContact CG1-CB 3.81Å; V34-L72 HydrophobicContact CG1-CD2 3.91Å; V34-L72 PolarHBondContact O-N 2.84Å; V34-W86 HydrophobicContact CG2-CH2 4.35Å; V34-W86 HydrophobicContact CG2-CZ2 4.32Å; V34-I112 HydrophobicContact CG1-CD1 4.35Å; V34-I112 HydrophobicContact CG1-CG2 3.7Å; V34-I112 HydrophobicContact CG2-CG2 4.34Å; V34-F123 HydrophobicContact CG2-CD1 3.6Å; V34-F123 HydrophobicContact CG2-CD2 3.98Å; V34-F123 HydrophobicContact CG2-CE1 3.63Å; V34-F123 HydrophobicContact CG2-CE2 4Å; V34-F123 HydrophobicContact CG2-CG 3.79Å; V34-F123 HydrophobicContact CG2-CZ 3.83Å
35	A	98.8	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	168.4	178.2	0	0	0	0	0	111	C33 G46 L48 E70	C33-A35 PolarHBondContact O-N 2.88Å; A35-G46 PolarHBondContact N-O 2.89Å; A35-G46 VanDerWaalsContact N-O 3.12Å; A35-G46 CarbonylContact O-C 3.46Å; A35-G46 PolarHBondContact O-N 3.3Å; A35-G46 VanDerWaalsContact O-O 3.1Å; A35-L48 HydrophobicContact CB-CB 3.77Å; A35-E70 CarbonylContact C-O 3.56Å; A35-E70 WeakPolarHBondContact CA-O 3.5Å
36	R	98.7	Very high	97.2	Very high	35 Å²	35	42.3 Å²	42.3	13%	0.132	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.5	167	67.8	-176.6	-175	-177.5	-1.1	110.9	W14 L44 Y69 E70 A101	W14-R36 VanDerWaalsContact CD1-NH2 3.33Å; W14-R36 HydrophobicContact CD2-CG 4.24Å; W14-R36 HydrophobicContact CE3-CG 3.74Å; W14-R36 VanDerWaalsContact CG-NH2 3.32Å; W14-R36 HydrophobicContact CH2-CB 4.13Å; W14-R36 HydrophobicContact CH2-CG 3.97Å; W14-R36 HydrophobicContact CZ2-CG 4.44Å; W14-R36 HydrophobicContact CZ3-CB 4.02Å; W14-R36 HydrophobicContact CZ3-CG 3.6Å; R36-L44 CarbonylContact C-O 3.55Å; R36-L44 WeakPolarHBondContact CA-O 3.09Å; R36-L44 VanDerWaalsContact CB-O 3.28Å; R36-L44 WeakPolarHBondContact CB-O 3.45Å; R36-Y69 WeakPolarHBondContact O-CA 3.38Å; R36-Y69 WeakPolarHBondContact O-CB 3.49Å; R36-E70 HydrophobicContact CG-CB 4.11Å; R36-E70 IonicContact CZ-OE2 3.83Å; R36-E70 PolarHBondContact N-O 2.83Å; R36-E70 IonicContact NE-OE2 3.99Å; R36-E70 PolarHBondContact NE-OE2 2.79Å; R36-E70 IonicContact NH2-OE1 2.71Å; R36-E70 IonicContact NH2-OE2 3.11Å; R36-E70 PolarHBondContact NH2-OE2 3.45Å; R36-E70 PolarHBondContact O-N 3.35Å; R36-A101 VanDerWaalsContact CD-O 3.24Å; R36-A101 WeakPolarHBondContact CD-O 2.96Å; R36-A101 PolarHBondContact NH1-O 3.25Å
37	S	98.6	Very high	97.2	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152	177.9	-70.6	0	0	0	0	111.1	L44 C55 F66 D68 Y69	S37-L44 PolarHBondContact N-O 3.05Å; S37-L44 PolarHBondContact O-N 2.94Å; S37-C55 PolarHBondContact OG-SG 2.86Å; S37-C55 VanDerWaalsContact OG-SG 3.32Å; S37-F66 VanDerWaalsContact CB-CD2 3.41Å; S37-F66 VanDerWaalsContact CB-CG 3.4Å; S37-F66 WeakPolarHBondContact OG-CB 3.07Å; S37-D68 PolarHBondContact OG-O 3.13Å; S37-Y69 VanDerWaalsContact OG-CB 3.31Å; S37-Y69 WeakPolarHBondContact OG-CB 3.34Å
38	K	98	Very high	97.3	Very high	154 Å²	154	41.9 Å²	41.9	67%	0.67	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.5	178.7	-170.3	175.9	-178	176.8	0	110.4	E42 L43	K38-E42 VanDerWaalsContact CA-O 3.28Å; K38-E42 WeakPolarHBondContact CA-O 3.49Å; K38-L43 HydrophobicContact CB-CD2 4.31Å
39	H	97.9	Very high	97.3	Very high	50 Å²	50	40 Å²	40	23%	0.231	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	131.6	174	-178.8	72.8	0	0	0	109.9	G41 E42 L44 Y59 L64 F66	H39-G41 PolarHBondContact O-N 2.9Å; H39-E42 PolarHBondContact N-O 2.86Å; H39-E42 WeakPolarHBondContact O-CB 3.39Å; H39-E42 PolarHBondContact O-N 3.07Å; H39-L44 HydrophobicContact CB-CD1 3.56Å; H39-L44 HydrophobicContact CB-CG 4.14Å; H39-Y59 AromaticContact CD2-CD1 3.73Å; H39-Y59 AromaticContact CD2-CD2 3.95Å; H39-Y59 AromaticContact CD2-CE1 3.69Å; H39-Y59 AromaticContact CD2-CE2 3.91Å; H39-Y59 AromaticContact CD2-CG 3.87Å; H39-Y59 AromaticContact CD2-CZ 3.77Å; H39-Y59 AromaticContact NE2-CD1 3.63Å; H39-Y59 AromaticContact NE2-CE1 3.46Å; H39-Y59 WeakPolarHBondContact NE2-CE1 3.33Å; H39-Y59 AromaticContact NE2-CZ 3.94Å; H39-L64 HydrophobicContact CB-CD1 4.48Å; H39-F66 HydrophobicContact CB-CE1 4.12Å; H39-F66 HydrophobicContact CB-CZ 3.81Å
40	S	94.5	Very high	97.3	Very high	77 Å²	77	40.1 Å²	40.1	54%	0.538	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	28.3	175.1	-62.1	0	0	0	0	115.6
41	G	94.4	Very high	97.5	Very high	66 Å²	66	43 Å²	43	68%	0.68	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.3	-8.5	-177.9	0	0	0	0	0	114.9	H39	H39-G41 PolarHBondContact O-N 2.9Å
42	E	97.5	Very high	97.6	Very high	16 Å²	16	40.6 Å²	40.6	8%	0.075	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	157.6	179.8	-54.5	179.2	-165	0	0	111.2	K38 H39 L44 K105	K38-E42 VanDerWaalsContact CA-O 3.28Å; K38-E42 WeakPolarHBondContact CA-O 3.49Å; H39-E42 PolarHBondContact N-O 2.86Å; H39-E42 WeakPolarHBondContact O-CB 3.39Å; H39-E42 PolarHBondContact O-N 3.07Å; E42-L44 HydrophobicContact CB-CD2 3.97Å; E42-L44 WeakPolarHBondContact OE2-CD2 3.36Å; E42-K105 VanDerWaalsContact CD-N 3.34Å; E42-K105 HydrophobicContact CG-CB 4.29Å; E42-K105 WeakPolarHBondContact OE1-CB 3.31Å; E42-K105 PolarHBondContact OE1-N 2.69Å
43	L	97.8	Very high	97.6	Very high	59 Å²	59	40 Å²	40	31%	0.309	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	104.7	166.3	-76.1	171.7	0	0	0	108.3	K38 P45 G102	K38-L43 HydrophobicContact CB-CD2 4.31Å; L43-P45 WeakPolarHBondContact O-CD 3.48Å; L43-G102 WeakPolarHBondContact O-CA 3.35Å
44	L	98.5	Very high	97.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.6	-174.8	-59.2	-176.6	0	0	0	110.7	R36 S37 H39 E42 C57 Y59 L64 L110	R36-L44 CarbonylContact C-O 3.55Å; R36-L44 WeakPolarHBondContact CA-O 3.09Å; R36-L44 VanDerWaalsContact CB-O 3.28Å; R36-L44 WeakPolarHBondContact CB-O 3.45Å; S37-L44 PolarHBondContact N-O 3.05Å; S37-L44 PolarHBondContact O-N 2.94Å; H39-L44 HydrophobicContact CB-CD1 3.56Å; H39-L44 HydrophobicContact CB-CG 4.14Å; E42-L44 HydrophobicContact CB-CD2 3.97Å; E42-L44 WeakPolarHBondContact OE2-CD2 3.36Å; L44-C57 HydrophobicContact CB-CB 3.72Å; L44-C57 HydrophobicContact CD1-CB 4.14Å; L44-C57 PolarHBondContact O-SG 3.21Å; L44-Y59 HydrophobicContact CD1-CD2 3.69Å; L44-Y59 HydrophobicContact CD1-CG 4.07Å; L44-Y59 HydrophobicContact CD2-CD2 3.96Å; L44-Y59 HydrophobicContact CD2-CE2 4.47Å; L44-Y59 HydrophobicContact CG-CD2 4.47Å; L44-L64 HydrophobicContact CD1-CD1 4.48Å; L44-L110 HydrophobicContact CD2-CD1 3.93Å
45	P	98.8	Very high	97.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.4	169.4	2	9.2	0	0	0	111.1	L43 P58 A101 L110 K125	L43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-P58 VanDerWaalsContact O-CD 3.27Å; P45-P58 WeakPolarHBondContact O-CD 3.38Å; P45-A101 HydrophobicContact CB-CB 3.89Å; P45-A101 HydrophobicContact CG-CB 3.68Å; P45-L110 HydrophobicContact CG-CB 3.98Å; P45-K125 HydrophobicContact CB-CB 4.31Å; P45-K125 HydrophobicContact CG-CB 3.69Å
46	G	98.7	Very high	97.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	-155	-174.9	0	0	0	0	0	111.8	A35 Y56 F123	A35-G46 PolarHBondContact N-O 2.89Å; A35-G46 VanDerWaalsContact N-O 3.12Å; A35-G46 CarbonylContact O-C 3.46Å; A35-G46 PolarHBondContact O-N 3.3Å; A35-G46 VanDerWaalsContact O-O 3.1Å; G46-Y56 CarbonylContact C-O 3.59Å; G46-Y56 VanDerWaalsContact CA-O 3.23Å; G46-Y56 WeakPolarHBondContact CA-O 3.37Å; G46-F123 WeakPolarHBondContact O-CB 3.29Å
47	K	98.5	Very high	97.6	Very high	13 Å²	13	40.7 Å²	40.7	6%	0.057	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.9	-177.3	69.9	-179.2	177.6	-160.8	0	111.8	I32 C33 V49 C55 Y56 E63 F123 P136	I32-K47 HydrophobicContact CG2-CB 3.53Å; I32-K47 HydrophobicContact CG2-CD 4.11Å; I32-K47 HydrophobicContact CG2-CG 4.22Å; C33-K47 CarbonylContact O-C 3.51Å; C33-K47 WeakPolarHBondContact O-CA 3.39Å; K47-V49 HydrophobicContact CD-CG2 4.34Å; K47-V49 HydrophobicContact CG-CG2 4.42Å; K47-C55 CarbonylContact O-C 3.55Å; K47-C55 VanDerWaalsContact O-CA 3.31Å; K47-C55 WeakPolarHBondContact O-CA 3.23Å; K47-Y56 HydrophobicContact CG-CD2 4.36Å; K47-Y56 PolarHBondContact N-O 3.45Å; K47-Y56 PolarHBondContact O-N 2.85Å; K47-E63 VanDerWaalsContact CE-OE1 3.26Å; K47-E63 WeakPolarHBondContact CE-OE1 3.24Å; K47-E63 IonicContact NZ-OE1 2.69Å; K47-E63 PolarHBondContact NZ-OE1 3.42Å; K47-E63 VanDerWaalsContact NZ-OE1 3.09Å; K47-F123 HydrophobicContact CB-CB 4.18Å; K47-F123 HydrophobicContact CB-CD2 4.32Å; K47-P136 HydrophobicContact CD-CG 4.44Å; K47-P136 WeakPolarHBondContact CE-O 3.43Å; K47-P136 HydrophobicContact CG-CG 4.26Å; K47-P136 PolarHBondContact NZ-O 3.21Å
48	L	98.6	Very high	97.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.2	162.9	167.3	65.7	0	0	0	108.6	C22 I32 C33 A35 P50 K54 Y69 V71	C22-L48 HydrophobicContact CB-CD2 4.04Å; I32-L48 WeakPolarHBondContact CA-O 3.43Å; C33-L48 HydrophobicContact CB-CB 4.16Å; C33-L48 HydrophobicContact CB-CD2 4.43Å; C33-L48 PolarHBondContact N-O 3.34Å; C33-L48 PolarHBondContact O-N 3.42Å; A35-L48 HydrophobicContact CB-CB 3.77Å; L48-P50 HydrophobicContact CD2-CG 4.23Å; L48-P50 HydrophobicContact CG-CG 4.05Å; L48-P50 WeakPolarHBondContact O-CD 3.48Å; L48-K54 WeakPolarHBondContact CD1-O 3.37Å; L48-Y69 HydrophobicContact CD1-CD1 4.44Å; L48-Y69 HydrophobicContact CD1-CD2 4.5Å; L48-Y69 HydrophobicContact CD1-CE1 3.74Å; L48-Y69 HydrophobicContact CD1-CE2 3.83Å; L48-Y69 WeakPolarHBondContact CD1-OH 3.43Å; L48-Y69 HydrophobicContact CD2-CD2 4.39Å; L48-Y69 HydrophobicContact CD2-CE2 3.63Å; L48-Y69 HydrophobicContact CG-CE2 4.26Å; L48-V71 HydrophobicContact CD2-CG2 3.63Å
49	V	97.7	Very high	97.6	Very high	27 Å²	27	36.4 Å²	36.4	16%	0.164	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	94.9	167.4	-174.3	0	0	0	0	107.1	K47 M51 N52 G53 K54 Y56	K47-V49 HydrophobicContact CD-CG2 4.34Å; K47-V49 HydrophobicContact CG-CG2 4.42Å; V49-M51 PolarHBondContact O-N 3.16Å; V49-N52 HydrophobicContact CB-CB 4.16Å; V49-N52 HydrophobicContact CG1-CB 4.08Å; V49-N52 PolarHBondContact O-N 2.77Å; V49-G53 PolarHBondContact O-N 3.14Å; V49-K54 PolarHBondContact N-O 3.41Å; V49-Y56 HydrophobicContact CB-CD2 4.4Å; V49-Y56 HydrophobicContact CB-CE2 3.96Å; V49-Y56 HydrophobicContact CG2-CD2 3.87Å; V49-Y56 HydrophobicContact CG2-CE2 3.81Å
50	P	96.6	Very high	97.6	Very high	42 Å²	42	37.5 Å²	37.5	27%	0.273	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-56.4	-37.9	-173.7	-26.8	35.7	0	0	0	113	C22 N31 L48 N52 G53	C22-P50 HydrophobicContact CB-CB 4.39Å; C22-P50 HydrophobicContact CB-CG 3.97Å; N31-P50 VanDerWaalsContact O-CD 3.22Å; N31-P50 WeakPolarHBondContact O-CD 3.12Å; L48-P50 HydrophobicContact CD2-CG 4.23Å; L48-P50 HydrophobicContact CG-CG 4.05Å; L48-P50 WeakPolarHBondContact O-CD 3.48Å; P50-N52 PolarHBondContact O-N 3.15Å; P50-G53 PolarHBondContact O-N 2.78Å
51	M	96	Very high	97.7	Very high	186 Å²	186	36 Å²	36	92%	0.916	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-62.3	-28.6	178.4	-170.1	173.4	-179.9	0	0	113.2	V49	V49-M51 PolarHBondContact O-N 3.16Å
52	N	97	Very high	97.9	Very high	91 Å²	91	34.6 Å²	34.6	49%	0.487	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-90.4	-8.3	175.7	-66.8	3.3	0	0	0	112.6	V49 P50 K54 Y56	V49-N52 HydrophobicContact CB-CB 4.16Å; V49-N52 HydrophobicContact CG1-CB 4.08Å; V49-N52 PolarHBondContact O-N 2.77Å; P50-N52 PolarHBondContact O-N 3.15Å; N52-K54 VanDerWaalsContact C-N 3.29Å; N52-K54 PolarHBondContact O-N 2.94Å; N52-Y56 HydrophobicContact CB-CE2 4.31Å; N52-Y56 WeakPolarHBondContact CB-OH 3.13Å; N52-Y56 PolarHBondContact ND2-OH 2.89Å; N52-Y56 VanDerWaalsContact ND2-OH 3.08Å
53	G	97.3	Very high	98	Very high	15 Å²	15	35 Å²	35	16%	0.155	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	12.7	-177.7	0	0	0	0	0	115.1	D19 G20 V49 P50	D19-G53 CarbonylContact C-O 3.56Å; D19-G53 WeakPolarHBondContact CA-O 3.47Å; G20-G53 PolarHBondContact N-O 3.02Å; G20-G53 VanDerWaalsContact N-O 3.17Å; V49-G53 PolarHBondContact O-N 3.14Å; P50-G53 PolarHBondContact O-N 2.78Å
54	K	98.3	Very high	98	Very high	38 Å²	38	34.1 Å²	34.1	17%	0.165	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	147.5	-164.3	-65.8	175.4	-173.7	-176.7	0	114.2	L48 V49 N52 Y56 E65 F66 Y67	L48-K54 WeakPolarHBondContact CD1-O 3.37Å; V49-K54 PolarHBondContact N-O 3.41Å; N52-K54 VanDerWaalsContact C-N 3.29Å; N52-K54 PolarHBondContact O-N 2.94Å; K54-Y56 HydrophobicContact CB-CD2 4.5Å; K54-Y56 HydrophobicContact CB-CE2 3.83Å; K54-E65 HydrophobicContact CD-CB 4.29Å; K54-E65 IonicContact NZ-OE1 3.19Å; K54-E65 IonicContact NZ-OE2 3.95Å; K54-E65 PolarHBondContact NZ-OE2 2.87Å; K54-F66 WeakPolarHBondContact CA-O 3.22Å; K54-Y67 VanDerWaalsContact CE-OH 3.29Å; K54-Y67 WeakPolarHBondContact CE-OH 3.4Å; K54-Y67 HydrophobicContact CG-CD1 4.38Å; K54-Y67 HydrophobicContact CG-CE1 4.11Å
55	C	98.6	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.4	162.4	-179.8	0	0	0	0	110.1	S37 K47 E65 F66 Y69	S37-C55 PolarHBondContact OG-SG 2.86Å; S37-C55 VanDerWaalsContact OG-SG 3.32Å; K47-C55 CarbonylContact O-C 3.55Å; K47-C55 VanDerWaalsContact O-CA 3.31Å; K47-C55 WeakPolarHBondContact O-CA 3.23Å; C55-E65 CarbonylContact O-C 3.57Å; C55-E65 WeakPolarHBondContact O-CA 3.44Å; C55-F66 HydrophobicContact CB-CB 4.32Å; C55-F66 PolarHBondContact N-O 3.01Å; C55-F66 PolarHBondContact O-N 2.98Å; C55-Y69 HydrophobicContact CB-CD1 3.51Å; C55-Y69 HydrophobicContact CB-CE1 4.4Å; C55-Y69 HydrophobicContact CB-CG 3.66Å
56	Y	98.7	Very high	98	Very high	16 Å²	16	40.6 Å²	40.6	6%	0.063	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.1	-179	-62.8	-88.4	0	0	0	109.1	G46 K47 V49 N52 K54 E63 L64 E65 P136	G46-Y56 CarbonylContact C-O 3.59Å; G46-Y56 VanDerWaalsContact CA-O 3.23Å; G46-Y56 WeakPolarHBondContact CA-O 3.37Å; K47-Y56 HydrophobicContact CG-CD2 4.36Å; K47-Y56 PolarHBondContact N-O 3.45Å; K47-Y56 PolarHBondContact O-N 2.85Å; V49-Y56 HydrophobicContact CB-CD2 4.4Å; V49-Y56 HydrophobicContact CB-CE2 3.96Å; V49-Y56 HydrophobicContact CG2-CD2 3.87Å; V49-Y56 HydrophobicContact CG2-CE2 3.81Å; N52-Y56 HydrophobicContact CB-CE2 4.31Å; N52-Y56 WeakPolarHBondContact CB-OH 3.13Å; N52-Y56 PolarHBondContact ND2-OH 2.89Å; N52-Y56 VanDerWaalsContact ND2-OH 3.08Å; K54-Y56 HydrophobicContact CB-CD2 4.5Å; K54-Y56 HydrophobicContact CB-CE2 3.83Å; Y56-E63 HydrophobicContact CD1-CG 3.6Å; Y56-E63 HydrophobicContact CG-CG 4.19Å; Y56-L64 CarbonylContact C-O 3.55Å; Y56-L64 VanDerWaalsContact CA-O 3.23Å; Y56-L64 WeakPolarHBondContact CA-O 3.13Å; Y56-E65 HydrophobicContact CD1-CG 3.89Å; Y56-E65 HydrophobicContact CE1-CG 3.67Å; Y56-E65 WeakPolarHBondContact CE1-OE1 3.42Å; Y56-P136 WeakPolarHBondContact O-CG 3.34Å
57	C	98.7	Very high	98	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.3	178.3	-56.8	0	0	0	0	111.3	L44 L64 F66	L44-C57 HydrophobicContact CB-CB 3.72Å; L44-C57 HydrophobicContact CD1-CB 4.14Å; L44-C57 PolarHBondContact O-SG 3.21Å; C57-L64 PolarHBondContact N-O 2.83Å; C57-L64 PolarHBondContact O-N 2.97Å; C57-F66 HydrophobicContact CB-CE2 3.91Å
58	P	98.6	Very high	98	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.3	176.3	32	-29.6	0	0	0	109.6	P45 K125 Y134 P136 E141	P45-P58 VanDerWaalsContact O-CD 3.27Å; P45-P58 WeakPolarHBondContact O-CD 3.38Å; P58-K125 HydrophobicContact CG-CB 4.5Å; P58-K125 HydrophobicContact CG-CD 4.03Å; P58-K125 HydrophobicContact CG-CG 3.92Å; P58-K125 WeakPolarHBondContact O-CE 3.13Å; P58-K125 PolarHBondContact O-NZ 3.24Å; P58-Y134 WeakPolarHBondContact CG-O 3.5Å; P58-P136 HydrophobicContact CB-CB 4.22Å; P58-P136 HydrophobicContact CB-CG 4.49Å; P58-P136 HydrophobicContact CG-CG 4.37Å; P58-E141 HydrophobicContact CB-CB 4.12Å; P58-E141 HydrophobicContact CB-CG 3.64Å; P58-E141 WeakPolarHBondContact CB-OE1 3.41Å
59	Y	98.2	Very high	98	Very high	68 Å²	68	51 Å²	51	27%	0.267	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	126.1	174.4	-170.7	-92.1	0	0	0	112.4	H39 L44 G61 A62 L64 E141	H39-Y59 AromaticContact CD2-CD1 3.73Å; H39-Y59 AromaticContact CD2-CD2 3.95Å; H39-Y59 AromaticContact CD2-CE1 3.69Å; H39-Y59 AromaticContact CD2-CE2 3.91Å; H39-Y59 AromaticContact CD2-CG 3.87Å; H39-Y59 AromaticContact CD2-CZ 3.77Å; H39-Y59 AromaticContact NE2-CD1 3.63Å; H39-Y59 AromaticContact NE2-CE1 3.46Å; H39-Y59 WeakPolarHBondContact NE2-CE1 3.33Å; H39-Y59 AromaticContact NE2-CZ 3.94Å; L44-Y59 HydrophobicContact CD1-CD2 3.69Å; L44-Y59 HydrophobicContact CD1-CG 4.07Å; L44-Y59 HydrophobicContact CD2-CD2 3.96Å; L44-Y59 HydrophobicContact CD2-CE2 4.47Å; L44-Y59 HydrophobicContact CG-CD2 4.47Å; Y59-G61 VanDerWaalsContact C-N 3.31Å; Y59-G61 PolarHBondContact O-N 3.28Å; Y59-A62 PolarHBondContact N-O 2.99Å; Y59-A62 PolarHBondContact O-N 3.5Å; Y59-L64 HydrophobicContact CD1-CD1 4.12Å; Y59-L64 HydrophobicContact CG-CD1 4.05Å; Y59-E141 WeakPolarHBondContact CA-OE1 3.47Å; Y59-E141 PolarHBondContact N-OE1 2.84Å; Y59-E141 VanDerWaalsContact N-OE1 3.16Å
60	G	96.3	Very high	98.1	Very high	73 Å²	73	52.3 Å²	52.3	75%	0.753	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	35.8	169.4	0	0	0	0	0	114	A62 E141	G60-A62 VanDerWaalsContact C-N 3.34Å; G60-E141 PolarHBondContact N-OE2 2.97Å
61	G	97.8	Very high	98.2	Very high	46 Å²	46	50.3 Å²	50.3	47%	0.474	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-5.1	-177.1	0	0	0	0	0	115.1	Y59 E141	Y59-G61 VanDerWaalsContact C-N 3.31Å; Y59-G61 PolarHBondContact O-N 3.28Å; G61-E141 VanDerWaalsContact C-CB 3.48Å; G61-E141 PolarHBondContact N-OE2 2.95Å; G61-E141 PolarHBondContact O-N 3.32Å; G61-E141 VanDerWaalsContact O-N 3.08Å
62	A	98.5	Very high	98.3	Very high	35 Å²	35	41.6 Å²	41.6	29%	0.289	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	154.8	-176.7	0	0	0	0	0	113.2	Y59 G60 L64	Y59-A62 PolarHBondContact N-O 2.99Å; Y59-A62 PolarHBondContact O-N 3.5Å; G60-A62 VanDerWaalsContact C-N 3.34Å; A62-L64 HydrophobicContact CB-CD2 4.28Å
63	E	98.7	Very high	98.3	Very high	24 Å²	24	37.4 Å²	37.4	11%	0.112	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	111	161.8	168.2	173.4	-113.9	0	0	108	K47 Y56 P136 W137 G138 G139	K47-E63 VanDerWaalsContact CE-OE1 3.26Å; K47-E63 WeakPolarHBondContact CE-OE1 3.24Å; K47-E63 IonicContact NZ-OE1 2.69Å; K47-E63 PolarHBondContact NZ-OE1 3.42Å; K47-E63 VanDerWaalsContact NZ-OE1 3.09Å; Y56-E63 HydrophobicContact CD1-CG 3.6Å; Y56-E63 HydrophobicContact CG-CG 4.19Å; E63-P136 HydrophobicContact CB-CB 3.93Å; E63-P136 HydrophobicContact CG-CB 3.67Å; E63-P136 WeakPolarHBondContact OE1-CB 3.26Å; E63-W137 WeakPolarHBondContact OE1-CA 3.48Å; E63-W137 PolarHBondContact OE1-N 3.17Å; E63-G138 PolarHBondContact OE2-N 2.88Å; E63-G139 PolarHBondContact N-O 2.88Å; E63-G139 PolarHBondContact OE2-N 3.25Å
64	L	98.7	Very high	98.2	Very high	41 Å²	41	39.1 Å²	39.1	22%	0.215	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	141.9	177	-58.8	-173.2	0	0	0	110.5	H39 L44 Y56 C57 Y59 A62 F66	H39-L64 HydrophobicContact CB-CD1 4.48Å; L44-L64 HydrophobicContact CD1-CD1 4.48Å; Y56-L64 CarbonylContact C-O 3.55Å; Y56-L64 VanDerWaalsContact CA-O 3.23Å; Y56-L64 WeakPolarHBondContact CA-O 3.13Å; C57-L64 PolarHBondContact N-O 2.83Å; C57-L64 PolarHBondContact O-N 2.97Å; Y59-L64 HydrophobicContact CD1-CD1 4.12Å; Y59-L64 HydrophobicContact CG-CD1 4.05Å; A62-L64 HydrophobicContact CB-CD2 4.28Å; L64-F66 HydrophobicContact CB-CE2 3.52Å; L64-F66 HydrophobicContact CB-CZ 3.71Å; L64-F66 HydrophobicContact CD1-CE2 4.46Å; L64-F66 HydrophobicContact CD1-CZ 3.95Å
65	E	98.6	Very high	98	Very high	104 Å²	104	39.9 Å²	39.9	49%	0.486	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.1	-179.8	-53.8	-169	156.8	0	0	112.1	K54 C55 Y56	K54-E65 HydrophobicContact CD-CB 4.29Å; K54-E65 IonicContact NZ-OE1 3.19Å; K54-E65 IonicContact NZ-OE2 3.95Å; K54-E65 PolarHBondContact NZ-OE2 2.87Å; C55-E65 CarbonylContact O-C 3.57Å; C55-E65 WeakPolarHBondContact O-CA 3.44Å; Y56-E65 HydrophobicContact CD1-CG 3.89Å; Y56-E65 HydrophobicContact CE1-CG 3.67Å; Y56-E65 WeakPolarHBondContact CE1-OE1 3.42Å
66	F	98.7	Very high	97.6	Very high	33 Å²	33	42.8 Å²	42.8	15%	0.145	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.2	179.5	-55.4	-87.5	0	0	0	111.7	S37 H39 K54 C55 C57 L64	S37-F66 VanDerWaalsContact CB-CD2 3.41Å; S37-F66 VanDerWaalsContact CB-CG 3.4Å; S37-F66 WeakPolarHBondContact OG-CB 3.07Å; H39-F66 HydrophobicContact CB-CE1 4.12Å; H39-F66 HydrophobicContact CB-CZ 3.81Å; K54-F66 WeakPolarHBondContact CA-O 3.22Å; C55-F66 HydrophobicContact CB-CB 4.32Å; C55-F66 PolarHBondContact N-O 3.01Å; C55-F66 PolarHBondContact O-N 2.98Å; C57-F66 HydrophobicContact CB-CE2 3.91Å; L64-F66 HydrophobicContact CB-CE2 3.52Å; L64-F66 HydrophobicContact CB-CZ 3.71Å; L64-F66 HydrophobicContact CD1-CE2 4.46Å; L64-F66 HydrophobicContact CD1-CZ 3.95Å
67	Y	98.2	Very high	97.2	Very high	124 Å²	124	46.7 Å²	46.7	49%	0.486	26%	0.258	S	S	.	.	S	Bend	trans	-85.6	-30.3	170.5	-69.5	-82.3	0	0	0	112.4	R18 D19 K54 Y69	R18-Y67 CarbonylContact C-O 3.55Å; R18-Y67 WeakPolarHBondContact CA-O 3.3Å; D19-Y67 PolarHBondContact N-O 3.25Å; D19-Y67 VanDerWaalsContact N-O 3.07Å; D19-Y67 WeakPolarHBondContact OD1-CD1 3.13Å; K54-Y67 VanDerWaalsContact CE-OH 3.29Å; K54-Y67 WeakPolarHBondContact CE-OH 3.4Å; K54-Y67 HydrophobicContact CG-CD1 4.38Å; K54-Y67 HydrophobicContact CG-CE1 4.11Å; Y67-Y69 WeakPolarHBondContact O-CD1 3.35Å; Y67-Y69 VanDerWaalsContact O-CE1 3.26Å; Y67-Y69 WeakPolarHBondContact O-CE1 3.26Å
68	D	98.4	Very high	96.6	Very high	98 Å²	98	52.4 Å²	52.4	52%	0.524	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.1	175.2	-61.3	-64.6	0	0	0	110.2	R18 S37	R18-D68 IonicContact CZ-OD1 2.67Å; R18-D68 IonicContact NH1-OD1 3.88Å; R18-D68 PolarHBondContact NH1-OD1 3.13Å; R18-D68 IonicContact NH1-OD2 3.78Å; S37-D68 PolarHBondContact OG-O 3.13Å
69	Y	98.7	Very high	95.9	Very high	11 Å²	11	56.7 Å²	56.7	4%	0.043	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	172.5	-174	49.2	-99.1	0	0	0	111	G17 R18 G20 F21 R36 S37 L48 C55 Y67 V71	G17-Y69 PolarHBondContact N-O 2.93Å; G17-Y69 PolarHBondContact O-N 3.12Å; R18-Y69 PolarHBondContact O-OH 3Å; G20-Y69 WeakPolarHBondContact CA-OH 3.21Å; G20-Y69 PolarHBondContact N-OH 2.96Å; F21-Y69 PolarHBondContact N-OH 3.45Å; F21-Y69 WeakPolarHBondContact O-CE2 3.26Å; F21-Y69 PolarHBondContact O-OH 3.38Å; R36-Y69 WeakPolarHBondContact O-CA 3.38Å; R36-Y69 WeakPolarHBondContact O-CB 3.49Å; S37-Y69 VanDerWaalsContact OG-CB 3.31Å; S37-Y69 WeakPolarHBondContact OG-CB 3.34Å; L48-Y69 HydrophobicContact CD1-CD1 4.44Å; L48-Y69 HydrophobicContact CD1-CD2 4.5Å; L48-Y69 HydrophobicContact CD1-CE1 3.74Å; L48-Y69 HydrophobicContact CD1-CE2 3.83Å; L48-Y69 WeakPolarHBondContact CD1-OH 3.43Å; L48-Y69 HydrophobicContact CD2-CD2 4.39Å; L48-Y69 HydrophobicContact CD2-CE2 3.63Å; L48-Y69 HydrophobicContact CG-CE2 4.26Å; C55-Y69 HydrophobicContact CB-CD1 3.51Å; C55-Y69 HydrophobicContact CB-CE1 4.4Å; C55-Y69 HydrophobicContact CB-CG 3.66Å; Y67-Y69 WeakPolarHBondContact O-CD1 3.35Å; Y67-Y69 VanDerWaalsContact O-CE1 3.26Å; Y67-Y69 WeakPolarHBondContact O-CE1 3.26Å; Y69-V71 HydrophobicContact CD2-CG2 3.69Å; Y69-V71 HydrophobicContact CE2-CG2 3.62Å
70	E	98.8	Very high	95.3	Very high	54 Å²	54	54.8 Å²	54.8	25%	0.252	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.9	167.6	-61.4	176.8	136.4	0	0	109.1	W14 I15 A35 R36	W14-E70 HydrophobicContact CB-CB 4.14Å; W14-E70 HydrophobicContact CE3-CB 4.03Å; I15-E70 CarbonylContact O-C 3.11Å; I15-E70 WeakPolarHBondContact O-CA 3.33Å; A35-E70 CarbonylContact C-O 3.56Å; A35-E70 WeakPolarHBondContact CA-O 3.5Å; R36-E70 HydrophobicContact CG-CB 4.11Å; R36-E70 IonicContact CZ-OE2 3.83Å; R36-E70 PolarHBondContact N-O 2.83Å; R36-E70 IonicContact NE-OE2 3.99Å; R36-E70 PolarHBondContact NE-OE2 2.79Å; R36-E70 IonicContact NH2-OE1 2.71Å; R36-E70 IonicContact NH2-OE2 3.11Å; R36-E70 PolarHBondContact NH2-OE2 3.45Å; R36-E70 PolarHBondContact O-N 3.35Å
71	V	98.8	Very high	94.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.9	179.4	-173.8	0	0	0	0	109.2	I15 P23 A26 C33 L48 Y69 C73	I15-V71 PolarHBondContact N-O 3.47Å; I15-V71 PolarHBondContact O-N 3.37Å; P23-V71 HydrophobicContact CG-CB 4.35Å; A26-V71 HydrophobicContact CB-CG1 3.64Å; C33-V71 HydrophobicContact CB-CG1 4.21Å; L48-V71 HydrophobicContact CD2-CG2 3.63Å; Y69-V71 HydrophobicContact CD2-CG2 3.69Å; Y69-V71 HydrophobicContact CE2-CG2 3.62Å; V71-C73 PolarHBondContact O-N 2.96Å; V71-C73 PolarHBondContact O-SG 3.36Å
72	L	98.6	Very high	94.1	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	116.1	174.5	-172.2	64.6	0	0	0	109.5	L12 W14 V27 V34 I112 L150	L12-L72 HydrophobicContact CB-CD1 3.99Å; L12-L72 HydrophobicContact CD1-CD2 4.38Å; L12-L72 HydrophobicContact CD2-CD1 4.44Å; L12-L72 HydrophobicContact CD2-CG 4.22Å; W14-L72 HydrophobicContact CD2-CB 4.44Å; W14-L72 HydrophobicContact CD2-CD1 3.97Å; W14-L72 HydrophobicContact CE3-CB 3.95Å; W14-L72 HydrophobicContact CE3-CD1 4.34Å; W14-L72 HydrophobicContact CG-CD1 4.44Å; W14-L72 HydrophobicContact CH2-CB 3.88Å; W14-L72 HydrophobicContact CH2-CD1 4.37Å; W14-L72 HydrophobicContact CH2-CD2 4.5Å; W14-L72 HydrophobicContact CH2-CG 4.49Å; W14-L72 HydrophobicContact CZ2-CB 4.36Å; W14-L72 HydrophobicContact CZ2-CD1 3.99Å; W14-L72 HydrophobicContact CZ3-CB 3.65Å; V27-L72 HydrophobicContact CG2-CD2 4.28Å; V27-L72 HydrophobicContact CG2-CG 4.16Å; V27-L72 PolarHBondContact N-O 2.88Å; V34-L72 HydrophobicContact CB-CB 4.05Å; V34-L72 HydrophobicContact CB-CD2 4.46Å; V34-L72 HydrophobicContact CG1-CB 3.81Å; V34-L72 HydrophobicContact CG1-CD2 3.91Å; V34-L72 PolarHBondContact O-N 2.84Å; L72-I112 HydrophobicContact CD2-CD1 3.76Å; L72-L150 HydrophobicContact CD2-CD2 3.54Å
73	C	97.6	Very high	93.6	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.014	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.4	-176.6	-57.7	0	0	0	0	111.4	L12 S13 I15 G25 V71 T75	L12-C73 WeakPolarHBondContact CA-O 3.36Å; S13-C73 PolarHBondContact N-O 2.86Å; S13-C73 PolarHBondContact O-N 3.34Å; I15-C73 HydrophobicContact CG1-CB 3.9Å; G25-C73 CarbonylContact O-C 3.32Å; G25-C73 WeakPolarHBondContact O-CA 3.19Å; V71-C73 PolarHBondContact O-N 2.96Å; V71-C73 PolarHBondContact O-SG 3.36Å; C73-T75 PolarHBondContact O-N 2.85Å
74	E	95.6	Very high	93.4	Very high	51 Å²	51	54.6 Å²	54.6	24%	0.238	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	113.4	165.4	-67.1	-174.6	148.4	0	0	109.4	P11 L12 G25 V27 F76 K82 Y84	P11-E74 WeakPolarHBondContact O-CA 3.14Å; L12-E74 HydrophobicContact CD2-CG 4.44Å; G25-E74 PolarHBondContact O-N 3.18Å; V27-E74 HydrophobicContact CG2-CG 4.19Å; E74-F76 HydrophobicContact CB-CD1 3.86Å; E74-F76 HydrophobicContact CB-CE1 3.74Å; E74-F76 HydrophobicContact CG-CD1 4.4Å; E74-F76 HydrophobicContact CG-CE1 4.13Å; E74-K82 IonicContact OE1-NZ 2.76Å; E74-K82 PolarHBondContact OE1-NZ 3.16Å; E74-K82 IonicContact OE2-NZ 3.77Å; E74-Y84 HydrophobicContact CG-CE1 4.14Å; E74-Y84 PolarHBondContact OE1-OH 2.96Å
75	T	93.8	Very high	93.3	Very high	55 Å²	55	54.4 Å²	54.4	34%	0.337	30%	0.301	S	S	.	.			trans	-121.2	23.8	178.4	55.2	0	0	0	0	112	Q9 P11 S13 C73	Q9-T75 PolarHBondContact NE2-O 3.32Å; P11-T75 PolarHBondContact O-N 3.01Å; S13-T75 PolarHBondContact OG-OG1 2.84Å; C73-T75 PolarHBondContact O-N 2.85Å
76	F	90.8	Very high	93.2	Very high	61 Å²	61	52.4 Å²	52.4	27%	0.268	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.1	150.8	176.1	66.7	-95.5	0	0	0	111.8	P11 E74 K82	P11-F76 HydrophobicContact CB-CB 3.79Å; P11-F76 PolarHBondContact O-N 2.82Å; E74-F76 HydrophobicContact CB-CD1 3.86Å; E74-F76 HydrophobicContact CB-CE1 3.74Å; E74-F76 HydrophobicContact CG-CD1 4.4Å; E74-F76 HydrophobicContact CG-CE1 4.13Å; F76-K82 HydrophobicContact CE1-CG 4.26Å
77	I	89.2	Confident	93.2	Very high	98 Å²	98	55.1 Å²	55.1	50%	0.503	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-73.5	132	174.7	-61.3	172.9	0	0	0	108	Q9 G79 S80	Q9-I77 HydrophobicContact CG-CD1 3.85Å; Q9-I77 HydrophobicContact CG-CG1 3.92Å; I77-G79 PolarHBondContact O-N 2.96Å; I77-S80 PolarHBondContact N-OG 2.85Å; I77-S80 WeakPolarHBondContact O-CB 3.35Å; I77-S80 PolarHBondContact O-N 3.04Å; I77-S80 PolarHBondContact O-OG 3.02Å
78	P	87.2	Confident	93.2	Very high	119 Å²	119	55.2 Å²	55.2	77%	0.773	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	128	173.5	-28.8	35.6	0	0	0	112
79	G	84	Confident	93.2	Very high	91 Å²	91	50.7 Å²	50.7	94%	0.938	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-8.7	-175.3	0	0	0	0	0	115.3	I77	I77-G79 PolarHBondContact O-N 2.96Å
80	S	84.5	Confident	93.2	Very high	28 Å²	28	54.7 Å²	54.7	20%	0.196	30%	0.295	C	S	.	.	S	Bend	trans	-88.5	163.7	167	70.9	0	0	0	0	111.7	I77	I77-S80 PolarHBondContact N-OG 2.85Å; I77-S80 WeakPolarHBondContact O-CB 3.35Å; I77-S80 PolarHBondContact O-N 3.04Å; I77-S80 PolarHBondContact O-OG 3.02Å
81	C	81.8	Confident	93.2	Very high	40 Å²	40	57 Å²	57	27%	0.27	31%	0.31	S	S	.	.			trans	-76.5	151.5	177.4	63.7	0	0	0	0	112	A2 G83 H155	A2-C81 WeakPolarHBondContact CB-SG 3.45Å; C81-G83 PolarHBondContact O-N 2.84Å; C81-H155 PolarHBondContact SG-CD2 2.86Å
82	K	86.2	Confident	93.2	Very high	106 Å²	106	57.6 Å²	57.6	46%	0.461	32%	0.316	S	S	.	.			trans	-58.6	-32	175.2	-66	-169.8	173.2	-137	0	112.4	P11 E74 F76 Y84	P11-K82 WeakPolarHBondContact CB-O 3.19Å; P11-K82 WeakPolarHBondContact CG-O 2.89Å; E74-K82 IonicContact OE1-NZ 2.76Å; E74-K82 PolarHBondContact OE1-NZ 3.16Å; E74-K82 IonicContact OE2-NZ 3.77Å; F76-K82 HydrophobicContact CE1-CG 4.26Å; K82-Y84 HydrophobicContact CB-CD1 4.22Å; K82-Y84 HydrophobicContact CB-CE1 4.17Å; K82-Y84 VanDerWaalsContact O-CD1 3.3Å; K82-Y84 WeakPolarHBondContact O-CD1 3.3Å; K82-Y84 PolarHBondContact O-N 2.85Å
83	G	89.5	Confident	93.2	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.01	34%	0.339	C	S	.	.			trans	64.6	20	174.3	0	0	0	0	0	114.5	C81 W152 Q153	C81-G83 PolarHBondContact O-N 2.84Å; G83-W152 PolarHBondContact O-NE1 2.81Å; G83-Q153 CarbonylContact C-O 3.56Å; G83-Q153 WeakPolarHBondContact CA-O 3.04Å; G83-Q153 PolarHBondContact O-N 2.67Å
84	Y	94.1	Very high	93.2	Very high	26 Å²	26	63.5 Å²	63.5	10%	0.102	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	156.8	171.8	75.8	-93	0	0	0	110	L12 E74 K82 L150 V151	L12-Y84 HydrophobicContact CD1-CD1 3.76Å; L12-Y84 HydrophobicContact CD1-CE1 4.37Å; L12-Y84 HydrophobicContact CD1-CG 3.98Å; L12-Y84 HydrophobicContact CD2-CD1 3.9Å; L12-Y84 HydrophobicContact CD2-CE1 3.71Å; L12-Y84 HydrophobicContact CG-CD1 3.94Å; L12-Y84 HydrophobicContact CG-CE1 4.27Å; E74-Y84 HydrophobicContact CG-CE1 4.14Å; E74-Y84 PolarHBondContact OE1-OH 2.96Å; K82-Y84 HydrophobicContact CB-CD1 4.22Å; K82-Y84 HydrophobicContact CB-CE1 4.17Å; K82-Y84 VanDerWaalsContact O-CD1 3.3Å; K82-Y84 WeakPolarHBondContact O-CD1 3.3Å; K82-Y84 PolarHBondContact O-N 2.85Å; Y84-L150 HydrophobicContact CD2-CD1 3.38Å; Y84-L150 HydrophobicContact CD2-CG 4.21Å; Y84-L150 HydrophobicContact CE2-CD1 3.7Å; Y84-L150 HydrophobicContact CG-CD1 4.38Å; Y84-V151 CarbonylContact C-O 3.48Å; Y84-V151 WeakPolarHBondContact CA-O 3.29Å; Y84-V151 WeakPolarHBondContact CB-O 3.46Å
85	C	95.6	Very high	93.3	Very high	38 Å²	38	61.5 Å²	61.5	26%	0.257	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	176.1	170.5	61.3	0	0	0	0	110.6	V151	C85-V151 PolarHBondContact N-O 2.82Å; C85-V151 PolarHBondContact O-N 2.85Å; C85-V151 WeakPolarHBondContact SG-CG2 3.32Å
86	W	97.8	Very high	93.5	Very high	61 Å²	61	67 Å²	67	23%	0.231	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127	171	-69.6	99.9	0	0	0	108.3	V27 V34 I112 K114 F123 D148 V149 L150	V27-W86 HydrophobicContact CG1-CZ2 4.39Å; V34-W86 HydrophobicContact CG2-CH2 4.35Å; V34-W86 HydrophobicContact CG2-CZ2 4.32Å; W86-I112 HydrophobicContact CH2-CG2 3.96Å; W86-I112 HydrophobicContact CZ3-CG2 4.38Å; W86-K114 HydrophobicContact CD2-CD 3.81Å; W86-K114 HydrophobicContact CD2-CG 4.23Å; W86-K114 HydrophobicContact CE3-CD 3.92Å; W86-K114 HydrophobicContact CE3-CG 3.81Å; W86-K114 HydrophobicContact CG-CD 4.34Å; W86-K114 HydrophobicContact CH2-CB 4.14Å; W86-K114 HydrophobicContact CH2-CD 4.23Å; W86-K114 HydrophobicContact CH2-CG 4.19Å; W86-K114 HydrophobicContact CZ2-CD 4.11Å; W86-K114 HydrophobicContact CZ3-CB 4.05Å; W86-K114 HydrophobicContact CZ3-CD 4.14Å; W86-K114 HydrophobicContact CZ3-CG 3.8Å; W86-F123 AromaticContact CH2-CD1 3.85Å; W86-F123 HydrophobicContact CH2-CD1 3.85Å; W86-F123 AromaticContact CH2-CE1 3.71Å; W86-F123 HydrophobicContact CH2-CE1 3.71Å; W86-F123 HydrophobicContact CZ2-CD1 4.27Å; W86-F123 AromaticContact CZ2-CE1 3.66Å; W86-F123 HydrophobicContact CZ2-CE1 3.66Å; W86-D148 HydrophobicContact CB-CB 4.04Å; W86-D148 HydrophobicContact CE3-CB 4Å; W86-V149 WeakPolarHBondContact CA-O 3.1Å; W86-L150 HydrophobicContact CD2-CD1 3.8Å; W86-L150 HydrophobicContact CE3-CB 4.08Å; W86-L150 HydrophobicContact CE3-CD1 4.14Å; W86-L150 HydrophobicContact CG-CD1 4.39Å; W86-L150 HydrophobicContact CH2-CB 4.04Å; W86-L150 HydrophobicContact CH2-CD1 3.99Å; W86-L150 HydrophobicContact CZ2-CD1 3.63Å; W86-L150 HydrophobicContact CZ3-CB 3.78Å; W86-L150 HydrophobicContact CZ3-CD1 4.22Å
87	E	98.1	Very high	93.7	Very high	90 Å²	90	67.7 Å²	67.7	42%	0.421	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.4	178.6	-172	174	159	0	0	110.1	P95 D148 V149 V151	E87-P95 HydrophobicContact CB-CB 4.4Å; E87-P95 HydrophobicContact CB-CG 4.31Å; E87-P95 HydrophobicContact CG-CB 4.23Å; E87-P95 HydrophobicContact CG-CG 4.21Å; E87-D148 CarbonylContact O-C 3.49Å; E87-D148 WeakPolarHBondContact O-CA 3.38Å; E87-V149 PolarHBondContact N-O 2.99Å; E87-V149 PolarHBondContact O-N 3.45Å; E87-V151 HydrophobicContact CB-CG1 3.97Å; E87-V151 HydrophobicContact CB-CG2 3.98Å
88	R	98.5	Very high	94.2	Very high	127 Å²	127	63.7 Å²	63.7	48%	0.479	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	134	178.5	178.5	61.3	50.5	89.4	8.4	110.2	F90 E146 D148	R88-F90 HydrophobicContact CG-CD2 4.45Å; R88-F90 HydrophobicContact CG-CE1 4.28Å; R88-F90 HydrophobicContact CG-CE2 3.51Å; R88-F90 HydrophobicContact CG-CZ 3.4Å; R88-F90 VanDerWaalsContact CG-CZ 3.4Å; R88-E146 IonicContact CZ-OE1 3.55Å; R88-E146 IonicContact NE-OE1 3.97Å; R88-E146 IonicContact NH1-OE1 2.62Å; R88-E146 PolarHBondContact NH1-OE1 3.37Å; R88-D148 WeakPolarHBondContact CA-OD1 3.37Å; R88-D148 IonicContact CZ-OD1 3.4Å; R88-D148 IonicContact NE-OD1 2.71Å; R88-D148 PolarHBondContact NE-OD1 3.05Å; R88-D148 IonicContact NH2-OD1 3.18Å; R88-D148 PolarHBondContact NH2-OD1 2.89Å; R88-D148 IonicContact NH2-OD2 3.85Å
89	A	98.6	Very high	94.7	Very high	2 Å²	2	59.7 Å²	59.7	2%	0.017	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	168.7	173.6	0	0	0	0	0	111	N93 P95 Y147 V149	A89-N93 WeakPolarHBondContact CB-O 3.4Å; A89-P95 HydrophobicContact CB-CG 3.86Å; A89-Y147 HydrophobicContact CB-CD2 4.15Å; A89-Y147 HydrophobicContact CB-CE2 3.57Å; A89-Y147 PolarHBondContact N-O 3.05Å; A89-Y147 PolarHBondContact O-N 2.91Å; A89-V149 HydrophobicContact CB-CG2 3.93Å
90	F	98.6	Very high	95.4	Very high	95 Å²	95	58.6 Å²	58.6	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.4	-173.7	-53.9	-90	0	0	0	111.7	R88 G92 N93 N145 E146	R88-F90 HydrophobicContact CG-CD2 4.45Å; R88-F90 HydrophobicContact CG-CE1 4.28Å; R88-F90 HydrophobicContact CG-CE2 3.51Å; R88-F90 HydrophobicContact CG-CZ 3.4Å; R88-F90 VanDerWaalsContact CG-CZ 3.4Å; F90-G92 PolarHBondContact O-N 3.37Å; F90-N93 WeakPolarHBondContact O-CB 3.48Å; F90-N93 PolarHBondContact O-N 3.13Å; F90-N145 CarbonylContact C-O 3.56Å; F90-N145 WeakPolarHBondContact CA-O 3.39Å; F90-E146 HydrophobicContact CD1-CB 3.98Å; F90-E146 HydrophobicContact CD1-CG 4.01Å; F90-E146 HydrophobicContact CE1-CB 4.05Å; F90-E146 HydrophobicContact CE1-CG 3.6Å
91	D	98.3	Very high	96	Very high	104 Å²	104	57.2 Å²	57.2	56%	0.556	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	35.9	162.8	-55.9	-49.5	0	0	0	115.1	S131 N145	D91-S131 CarbonylContact C-O 3.5Å; D91-S131 WeakPolarHBondContact CA-O 3.46Å; D91-N145 PolarHBondContact N-O 3.32Å; D91-N145 WeakPolarHBondContact OD1-CB 3.47Å
92	G	98.4	Very high	96.8	Very high	12 Å²	12	55.6 Å²	55.6	12%	0.124	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-4.9	179.7	0	0	0	0	0	114.9	F90 V94 H130 S131 Y147	F90-G92 PolarHBondContact O-N 3.37Å; G92-V94 PolarHBondContact O-N 3.49Å; G92-H130 WeakPolarHBondContact CA-O 3.36Å; G92-S131 PolarHBondContact N-O 3.27Å; G92-Y147 WeakPolarHBondContact CA-OH 3.09Å; G92-Y147 PolarHBondContact N-OH 3.28Å
93	N	98.5	Very high	97.3	Very high	97 Å²	97	54.9 Å²	54.9	52%	0.519	27%	0.274	S	S	.	.			trans	-62.1	135.5	177.1	-176	61	0	0	0	111.5	A89 F90 Y147	A89-N93 WeakPolarHBondContact CB-O 3.4Å; F90-N93 WeakPolarHBondContact O-CB 3.48Å; F90-N93 PolarHBondContact O-N 3.13Å; N93-Y147 PolarHBondContact N-OH 2.91Å; N93-Y147 VanDerWaalsContact N-OH 3.07Å; N93-Y147 PolarHBondContact O-OH 2.84Å
94	V	98.6	Very high	97.7	Very high	32 Å²	32	55.1 Å²	55.1	19%	0.194	28%	0.276	C	S	.	.			trans	-112.6	112.2	179	177.2	0	0	0	0	108.1	G92 A98 Y111 L126 E128	G92-V94 PolarHBondContact O-N 3.49Å; V94-A98 HydrophobicContact CG1-CB 3.71Å; V94-Y111 HydrophobicContact CB-CE2 4.31Å; V94-Y111 HydrophobicContact CG1-CD1 4.31Å; V94-Y111 HydrophobicContact CG1-CD2 3.9Å; V94-Y111 HydrophobicContact CG1-CE1 3.97Å; V94-Y111 HydrophobicContact CG1-CE2 3.56Å; V94-Y111 HydrophobicContact CG1-CG 4.25Å; V94-Y111 HydrophobicContact CG2-CD2 3.96Å; V94-Y111 HydrophobicContact CG2-CE2 3.79Å; V94-L126 HydrophobicContact CB-CD2 4.4Å; V94-L126 HydrophobicContact CG2-CD2 3.48Å; V94-L126 VanDerWaalsContact CG2-CD2 3.48Å; V94-L126 HydrophobicContact CG2-CG 4.06Å; V94-E128 WeakPolarHBondContact CG2-OE2 3.36Å
95	P	98.2	Very high	97.7	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.058	31%	0.308	C	S	.	.			trans	-62.8	157.5	177	-25	35.5	0	0	0	113.2	E87 A89 N97 A98 V149 V151	E87-P95 HydrophobicContact CB-CB 4.4Å; E87-P95 HydrophobicContact CB-CG 4.31Å; E87-P95 HydrophobicContact CG-CB 4.23Å; E87-P95 HydrophobicContact CG-CG 4.21Å; A89-P95 HydrophobicContact CB-CG 3.86Å; P95-N97 PolarHBondContact O-N 3.23Å; P95-A98 WeakPolarHBondContact O-CB 3.2Å; P95-A98 PolarHBondContact O-N 2.98Å; P95-V149 HydrophobicContact CG-CB 4.09Å; P95-V149 HydrophobicContact CG-CG2 4.04Å; P95-V151 HydrophobicContact CB-CG1 3.86Å; P95-V151 HydrophobicContact CG-CG1 4.41Å
96	K	96.9	Very high	97.7	Very high	169 Å²	169	65 Å²	65	74%	0.735	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	139.3	176.8	-171.6	-179	175.4	175.2	0	110.6	A98	K96-A98 PolarHBondContact O-N 3.2Å
97	N	96	Very high	97.7	Very high	76 Å²	76	64.4 Å²	64.4	41%	0.406	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	22.9	-178.3	-33.1	-67	0	0	0	114.3	P95 I99 W152	P95-N97 PolarHBondContact O-N 3.23Å; N97-I99 PolarHBondContact O-N 2.97Å; N97-W152 HydrophobicContact CB-CB 4.01Å; N97-W152 HydrophobicContact CB-CE3 4.11Å; N97-W152 PolarHBondContact O-N 3.15Å
98	A	98.2	Very high	97.7	Very high	15 Å²	15	64 Å²	64	12%	0.124	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-51.3	135.9	168.8	0	0	0	0	0	111.3	V94 P95 K96 V100 Y111 V149 V151	V94-A98 HydrophobicContact CG1-CB 3.71Å; P95-A98 WeakPolarHBondContact O-CB 3.2Å; P95-A98 PolarHBondContact O-N 2.98Å; K96-A98 PolarHBondContact O-N 3.2Å; A98-V100 PolarHBondContact O-N 3.12Å; A98-Y111 HydrophobicContact CB-CD1 3.36Å; A98-Y111 HydrophobicContact CB-CE1 3.65Å; A98-Y111 HydrophobicContact CB-CG 4.05Å; A98-V149 HydrophobicContact CB-CG1 3.73Å; A98-V151 HydrophobicContact CB-CG1 4.49Å
99	I	97.7	Very high	97.7	Very high	35 Å²	35	59 Å²	59	18%	0.179	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-80.4	119.4	-177.6	-64.9	-178.5	0	0	0	108.9	L12 N97 I112 L150 W152	L12-I99 HydrophobicContact CD1-CD1 3.66Å; N97-I99 PolarHBondContact O-N 2.97Å; I99-I112 HydrophobicContact CB-CD1 4.39Å; I99-I112 HydrophobicContact CG2-CD1 3.93Å; I99-L150 HydrophobicContact CD1-CD2 3.9Å; I99-L150 HydrophobicContact CD1-CG 4.02Å; I99-L150 PolarHBondContact N-O 2.82Å; I99-W152 HydrophobicContact CG1-CB 4.43Å
100	V	98.4	Very high	97.7	Very high	67 Å²	67	59 Å²	59	41%	0.406	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	123.9	175.2	-178.6	0	0	0	0	109.5	A98 G102 I103 P109 Y111	A98-V100 PolarHBondContact O-N 3.12Å; V100-G102 WeakPolarHBondContact CG1-O 3.24Å; V100-I103 HydrophobicContact CG1-CD1 4.17Å; V100-P109 HydrophobicContact CG1-CB 4.01Å; V100-P109 HydrophobicContact CG2-CB 3.97Å; V100-Y111 HydrophobicContact CG2-CD1 4.15Å; V100-Y111 HydrophobicContact CG2-CE1 3.69Å
101	A	98.4	Very high	97.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-19.8	175.8	0	0	0	0	0	113.1	W14 R36 P45 L110 I112	W14-A101 HydrophobicContact CH2-CB 4.23Å; W14-A101 HydrophobicContact CZ2-CB 3.77Å; R36-A101 VanDerWaalsContact CD-O 3.24Å; R36-A101 WeakPolarHBondContact CD-O 2.96Å; R36-A101 PolarHBondContact NH1-O 3.25Å; P45-A101 HydrophobicContact CB-CB 3.89Å; P45-A101 HydrophobicContact CG-CB 3.68Å; A101-L110 PolarHBondContact N-O 2.88Å; A101-I112 HydrophobicContact CB-CD1 4.08Å; A101-I112 HydrophobicContact CB-CG1 3.48Å; A101-I112 VanDerWaalsContact CB-CG1 3.48Å
102	G	98.1	Very high	97.7	Very high	6 Å²	6	50.8 Å²	50.8	6%	0.062	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170	178.9	177.1	0	0	0	0	0	112.3	L43 V100 L110	L43-G102 WeakPolarHBondContact O-CA 3.35Å; V100-G102 WeakPolarHBondContact CG1-O 3.24Å; G102-L110 PolarHBondContact N-O 2.71Å; G102-L110 PolarHBondContact O-N 3.2Å
103	I	97.9	Very high	97.7	Very high	91 Å²	91	50.2 Å²	50.2	47%	0.467	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.4	173.2	-57	-62	0	0	0	106.8	V100 P109	V100-I103 HydrophobicContact CG1-CD1 4.17Å; I103-P109 HydrophobicContact CD1-CB 4.32Å
104	A	96.8	Very high	97.7	Very high	6 Å²	6	47.4 Å²	47.4	5%	0.05	25%	0.251	C	S	.	.			trans	-75.8	169	175.2	0	0	0	0	0	110.9	D106 G107 E108 L110	A104-D106 VanDerWaalsContact CB-OD1 3.25Å; A104-D106 WeakPolarHBondContact CB-OD1 3.26Å; A104-D106 PolarHBondContact O-N 3.08Å; A104-G107 PolarHBondContact O-N 2.75Å; A104-E108 PolarHBondContact N-O 2.78Å; A104-L110 HydrophobicContact CB-CD1 4.28Å; A104-L110 HydrophobicContact CB-CD2 4.01Å; A104-L110 HydrophobicContact CB-CG 4.05Å
105	K	94.9	Very high	97.7	Very high	176 Å²	176	46.4 Å²	46.4	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.7	-176.3	-178.9	176.9	180	-176.3	0	114.2	E42 G107	E42-K105 VanDerWaalsContact CD-N 3.34Å; E42-K105 HydrophobicContact CG-CB 4.29Å; E42-K105 WeakPolarHBondContact OE1-CB 3.31Å; E42-K105 PolarHBondContact OE1-N 2.69Å; K105-G107 PolarHBondContact O-N 2.87Å
106	D	95.5	Very high	97.7	Very high	94 Å²	94	50.3 Å²	50.3	50%	0.503	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.5	173.3	58.1	2.2	0	0	0	113.3	A104 E108 H127	A104-D106 VanDerWaalsContact CB-OD1 3.25Å; A104-D106 WeakPolarHBondContact CB-OD1 3.26Å; A104-D106 PolarHBondContact O-N 3.08Å; D106-E108 WeakPolarHBondContact OD1-CB 3.23Å; D106-E108 PolarHBondContact OD1-N 2.81Å; D106-H127 IonicContact OD1-CE1 3.29Å; D106-H127 IonicContact OD1-NE2 2.88Å; D106-H127 PolarHBondContact OD1-NE2 3.04Å; D106-H127 IonicContact OD2-CE1 2.78Å; D106-H127 PolarHBondContact OD2-CE1 3.19Å; D106-H127 IonicContact OD2-NE2 3.09Å; D106-H127 PolarHBondContact OD2-NE2 2.81Å
107	G	96.6	Very high	97.7	Very high	49 Å²	49	42.6 Å²	42.6	51%	0.505	24%	0.237	S	C	.	.	S	Bend	trans	92.6	-3.3	-179	0	0	0	0	0	113.7	A104 K105	A104-G107 PolarHBondContact O-N 2.75Å; K105-G107 PolarHBondContact O-N 2.87Å
108	E	98.1	Very high	97.6	Very high	82 Å²	82	43.1 Å²	43.1	38%	0.383	24%	0.24	S	C	.	.			trans	-83	149	-177.8	-66.8	-55.8	146.8	0	0	112.1	A104 D106 E128	A104-E108 PolarHBondContact N-O 2.78Å; D106-E108 WeakPolarHBondContact OD1-CB 3.23Å; D106-E108 PolarHBondContact OD1-N 2.81Å; E108-E128 HydrophobicContact CB-CB 4.19Å
109	P	98.5	Very high	97.4	Very high	22 Å²	22	50.1 Å²	50.1	14%	0.143	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.5	-179.9	26.6	-31.1	0	0	0	112.9	V100 I103 Y111 E128	V100-P109 HydrophobicContact CG1-CB 4.01Å; V100-P109 HydrophobicContact CG2-CB 3.97Å; I103-P109 HydrophobicContact CD1-CB 4.32Å; P109-Y111 HydrophobicContact CB-CE1 4.31Å; P109-Y111 HydrophobicContact CB-CE2 4.12Å; P109-Y111 HydrophobicContact CG-CE1 4.5Å; P109-Y111 HydrophobicContact CG-CE2 3.87Å; P109-Y111 WeakPolarHBondContact CG-OH 3.28Å; P109-E128 HydrophobicContact CG-CB 3.82Å; P109-E128 HydrophobicContact CG-CG 4.24Å; P109-E128 PolarHBondContact O-N 3.01Å; P109-E128 VanDerWaalsContact O-N 3.16Å
110	L	98.8	Very high	97.2	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.5	168.8	-61.9	-179.7	0	0	0	109.6	L44 P45 A101 G102 A104 K125 L126 H127	L44-L110 HydrophobicContact CD2-CD1 3.93Å; P45-L110 HydrophobicContact CG-CB 3.98Å; A101-L110 PolarHBondContact N-O 2.88Å; G102-L110 PolarHBondContact N-O 2.71Å; G102-L110 PolarHBondContact O-N 3.2Å; A104-L110 HydrophobicContact CB-CD1 4.28Å; A104-L110 HydrophobicContact CB-CD2 4.01Å; A104-L110 HydrophobicContact CB-CG 4.05Å; L110-K125 HydrophobicContact CD2-CD 4.42Å; L110-L126 WeakPolarHBondContact CA-O 3.18Å; L110-H127 HydrophobicContact CD2-CB 3.73Å
111	Y	98.9	Very high	97	Very high	27 Å²	27	51.7 Å²	51.7	11%	0.106	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	157	179.4	-54.1	-80.3	0	0	0	112	V94 A98 V100 P109 K125 L126 E128	V94-Y111 HydrophobicContact CB-CE2 4.31Å; V94-Y111 HydrophobicContact CG1-CD1 4.31Å; V94-Y111 HydrophobicContact CG1-CD2 3.9Å; V94-Y111 HydrophobicContact CG1-CE1 3.97Å; V94-Y111 HydrophobicContact CG1-CE2 3.56Å; V94-Y111 HydrophobicContact CG1-CG 4.25Å; V94-Y111 HydrophobicContact CG2-CD2 3.96Å; V94-Y111 HydrophobicContact CG2-CE2 3.79Å; A98-Y111 HydrophobicContact CB-CD1 3.36Å; A98-Y111 HydrophobicContact CB-CE1 3.65Å; A98-Y111 HydrophobicContact CB-CG 4.05Å; V100-Y111 HydrophobicContact CG2-CD1 4.15Å; V100-Y111 HydrophobicContact CG2-CE1 3.69Å; P109-Y111 HydrophobicContact CB-CE1 4.31Å; P109-Y111 HydrophobicContact CB-CE2 4.12Å; P109-Y111 HydrophobicContact CG-CE1 4.5Å; P109-Y111 HydrophobicContact CG-CE2 3.87Å; P109-Y111 WeakPolarHBondContact CG-OH 3.28Å; Y111-K125 WeakPolarHBondContact O-CA 3.4Å; Y111-L126 HydrophobicContact CD2-CG 4.43Å; Y111-L126 PolarHBondContact N-O 2.71Å; Y111-L126 PolarHBondContact O-N 2.88Å; Y111-E128 HydrophobicContact CE2-CB 4.11Å; Y111-E128 WeakPolarHBondContact CE2-OE2 3.37Å; Y111-E128 PolarHBondContact OH-OE2 3.36Å; Y111-E128 VanDerWaalsContact OH-OE2 3.13Å
112	I	98.9	Very high	97	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.8	176.3	-53.8	157.9	0	0	0	108.7	W14 V34 L72 W86 I99 A101 L150	W14-I112 HydrophobicContact CH2-CD1 4.25Å; W14-I112 HydrophobicContact CZ2-CD1 3.97Å; V34-I112 HydrophobicContact CG1-CD1 4.35Å; V34-I112 HydrophobicContact CG1-CG2 3.7Å; V34-I112 HydrophobicContact CG2-CG2 4.34Å; L72-I112 HydrophobicContact CD2-CD1 3.76Å; W86-I112 HydrophobicContact CH2-CG2 3.96Å; W86-I112 HydrophobicContact CZ3-CG2 4.38Å; I99-I112 HydrophobicContact CB-CD1 4.39Å; I99-I112 HydrophobicContact CG2-CD1 3.93Å; A101-I112 HydrophobicContact CB-CD1 4.08Å; A101-I112 HydrophobicContact CB-CG1 3.48Å; A101-I112 VanDerWaalsContact CB-CG1 3.48Å; I112-L150 HydrophobicContact CB-CB 3.96Å; I112-L150 HydrophobicContact CD1-CB 4.45Å; I112-L150 HydrophobicContact CD1-CD2 3.64Å; I112-L150 HydrophobicContact CG2-CB 4.21Å; I112-L150 PolarHBondContact O-N 3.07Å
113	V	98.9	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	160.2	171.6	-61.5	0	0	0	0	111.9	F123 G124 L126 A133 L135 Y147 D148 V149	V113-F123 VanDerWaalsContact O-CA 3.26Å; V113-F123 WeakPolarHBondContact O-CA 3.46Å; V113-G124 VanDerWaalsContact CG2-C 3.46Å; V113-G124 WeakPolarHBondContact CG2-O 3.1Å; V113-G124 PolarHBondContact N-O 3.06Å; V113-G124 VanDerWaalsContact N-O 3.13Å; V113-G124 PolarHBondContact O-N 2.8Å; V113-L126 HydrophobicContact CG1-CB 3.5Å; V113-L126 HydrophobicContact CG1-CD2 4.42Å; V113-A133 HydrophobicContact CB-CB 4.4Å; V113-A133 HydrophobicContact CG1-CB 4.19Å; V113-A133 HydrophobicContact CG2-CB 3.85Å; V113-L135 HydrophobicContact CG2-CD2 3.82Å; V113-Y147 HydrophobicContact CB-CD2 4.37Å; V113-Y147 HydrophobicContact CG1-CD2 3.77Å; V113-Y147 HydrophobicContact CG1-CE2 4.31Å; V113-Y147 HydrophobicContact CG1-CG 4.34Å; V113-D148 CarbonylContact C-O 3.54Å; V113-D148 VanDerWaalsContact CA-O 3.24Å; V113-D148 WeakPolarHBondContact CA-O 3.46Å; V113-V149 HydrophobicContact CG1-CG2 4.11Å
114	K	98.4	Very high	97	Very high	38 Å²	38	47.2 Å²	47.2	17%	0.165	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147	156.1	68.2	-177.8	-176	-178.3	0	110	W86 T121 C122 F123 Y147 D148	W86-K114 HydrophobicContact CD2-CD 3.81Å; W86-K114 HydrophobicContact CD2-CG 4.23Å; W86-K114 HydrophobicContact CE3-CD 3.92Å; W86-K114 HydrophobicContact CE3-CG 3.81Å; W86-K114 HydrophobicContact CG-CD 4.34Å; W86-K114 HydrophobicContact CH2-CB 4.14Å; W86-K114 HydrophobicContact CH2-CD 4.23Å; W86-K114 HydrophobicContact CH2-CG 4.19Å; W86-K114 HydrophobicContact CZ2-CD 4.11Å; W86-K114 HydrophobicContact CZ3-CB 4.05Å; W86-K114 HydrophobicContact CZ3-CD 4.14Å; W86-K114 HydrophobicContact CZ3-CG 3.8Å; K114-T121 HydrophobicContact CB-CG2 4.21Å; K114-T121 HydrophobicContact CD-CG2 4.37Å; K114-C122 CarbonylContact C-O 3.58Å; K114-C122 VanDerWaalsContact CA-O 3.23Å; K114-C122 WeakPolarHBondContact CA-O 3.43Å; K114-F123 HydrophobicContact CB-CD1 3.61Å; K114-F123 HydrophobicContact CB-CE1 3.72Å; K114-F123 HydrophobicContact CD-CE1 4.27Å; K114-Y147 CarbonylContact O-C 3.56Å; K114-Y147 WeakPolarHBondContact O-CA 3.47Å; K114-Y147 WeakPolarHBondContact O-CB 3.37Å; K114-D148 HydrophobicContact CD-CB 4.44Å; K114-D148 WeakPolarHBondContact CE-OD2 3.49Å; K114-D148 HydrophobicContact CG-CB 3.87Å; K114-D148 PolarHBondContact N-O 3Å; K114-D148 IonicContact NZ-OD2 3.68Å; K114-D148 PolarHBondContact O-N 3.29Å
115	G	98.2	Very high	97.1	Very high	10 Å²	10	47.6 Å²	47.6	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	-172.4	169.4	0	0	0	0	0	110.2	T121 C122	G115-T121 WeakPolarHBondContact O-CA 3.35Å; G115-C122 PolarHBondContact N-O 3.16Å; G115-C122 PolarHBondContact O-N 2.97Å
116	V	97.5	Very high	97.3	Very high	91 Å²	91	39.2 Å²	39.2	55%	0.552	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	127	-176.8	-179.2	0	0	0	0	110	E120	V116-E120 WeakPolarHBondContact CA-O 3.27Å
117	V	96.6	Very high	97.5	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.4	170.2	178.9	0	0	0	0	107.2	N119 E120 L135 W137 Y142 V144	V117-N119 VanDerWaalsContact C-N 3.29Å; V117-N119 PolarHBondContact O-N 3.09Å; V117-E120 PolarHBondContact N-O 2.88Å; V117-E120 PolarHBondContact O-N 3.25Å; V117-L135 HydrophobicContact CG2-CB 3.93Å; V117-L135 HydrophobicContact CG2-CD1 3.73Å; V117-L135 HydrophobicContact CG2-CG 4.46Å; V117-W137 HydrophobicContact CB-CB 4.24Å; V117-W137 HydrophobicContact CB-CG 4.2Å; V117-W137 HydrophobicContact CG1-CB 3.76Å; V117-W137 HydrophobicContact CG1-CD2 3.98Å; V117-W137 HydrophobicContact CG1-CE3 4.36Å; V117-W137 HydrophobicContact CG1-CG 3.71Å; V117-Y142 HydrophobicContact CG1-CD1 4.03Å; V117-Y142 HydrophobicContact CG1-CD2 3.97Å; V117-Y142 HydrophobicContact CG1-CE1 4.16Å; V117-Y142 HydrophobicContact CG1-CE2 4.1Å; V117-Y142 HydrophobicContact CG1-CG 3.94Å; V117-Y142 HydrophobicContact CG2-CG 4.29Å; V117-V144 HydrophobicContact CG2-CG1 4.44Å
118	N	94.3	Very high	97.6	Very high	88 Å²	88	36.6 Å²	36.6	47%	0.471	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	43.9	-179.8	-61.9	-35.3	0	0	0	114.3	E120 W137	N118-E120 PolarHBondContact O-N 2.64Å; N118-W137 HydrophobicContact CB-CH2 4.1Å; N118-W137 HydrophobicContact CB-CZ2 3.77Å; N118-W137 WeakPolarHBondContact ND2-CH2 3.36Å; N118-W137 WeakPolarHBondContact ND2-CZ2 3.31Å; N118-W137 WeakPolarHBondContact ND2-CZ3 3.48Å
119	N	94.1	Very high	97.5	Very high	161 Å²	161	36.2 Å²	36.2	86%	0.861	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.5	14.2	-177.6	-53.2	-39.7	0	0	0	115.3	V117	V117-N119 VanDerWaalsContact C-N 3.29Å; V117-N119 PolarHBondContact O-N 3.09Å
120	E	93.2	Very high	97.5	Very high	99 Å²	99	38.5 Å²	38.5	46%	0.463	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.6	175.9	-65.2	178.7	168.3	0	0	110.6	V116 V117 N118 C122 W137	V116-E120 WeakPolarHBondContact CA-O 3.27Å; V117-E120 PolarHBondContact N-O 2.88Å; V117-E120 PolarHBondContact O-N 3.25Å; N118-E120 PolarHBondContact O-N 2.64Å; E120-C122 PolarHBondContact O-N 2.86Å; E120-W137 PolarHBondContact OE2-NE1 3.42Å
121	T	95	Very high	97.5	Very high	37 Å²	37	42.6 Å²	42.6	23%	0.227	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.2	172.2	-59.7	0	0	0	0	109.5	V29 K114 G115	V29-T121 HydrophobicContact CB-CG2 4.2Å; V29-T121 HydrophobicContact CG1-CG2 3.94Å; K114-T121 HydrophobicContact CB-CG2 4.21Å; K114-T121 HydrophobicContact CD-CG2 4.37Å; G115-T121 WeakPolarHBondContact O-CA 3.35Å
122	C	97.4	Very high	97.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	136.8	-178	-175.2	0	0	0	0	110.7	K114 G115 E120 L135 P136	K114-C122 CarbonylContact C-O 3.58Å; K114-C122 VanDerWaalsContact CA-O 3.23Å; K114-C122 WeakPolarHBondContact CA-O 3.43Å; G115-C122 PolarHBondContact N-O 3.16Å; G115-C122 PolarHBondContact O-N 2.97Å; E120-C122 PolarHBondContact O-N 2.86Å; C122-L135 HydrophobicContact CB-CB 4.38Å; C122-L135 HydrophobicContact CB-CD1 4.32Å; C122-L135 WeakPolarHBondContact O-CD2 3.35Å; C122-P136 PolarHBondContact SG-O 3.08Å
123	F	98.8	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	147.1	171.4	-57.3	-65.8	0	0	0	111.3	V29 I32 V34 G46 K47 W86 V113 K114 P136	V29-F123 HydrophobicContact CB-CZ 4.07Å; V29-F123 HydrophobicContact CG2-CZ 3.92Å; I32-F123 HydrophobicContact CB-CE2 4.43Å; I32-F123 HydrophobicContact CG2-CD2 3.87Å; I32-F123 HydrophobicContact CG2-CE2 4.08Å; I32-F123 WeakPolarHBondContact O-CE2 3.16Å; V34-F123 HydrophobicContact CG2-CD1 3.6Å; V34-F123 HydrophobicContact CG2-CD2 3.98Å; V34-F123 HydrophobicContact CG2-CE1 3.63Å; V34-F123 HydrophobicContact CG2-CE2 4Å; V34-F123 HydrophobicContact CG2-CG 3.79Å; V34-F123 HydrophobicContact CG2-CZ 3.83Å; G46-F123 WeakPolarHBondContact O-CB 3.29Å; K47-F123 HydrophobicContact CB-CB 4.18Å; K47-F123 HydrophobicContact CB-CD2 4.32Å; W86-F123 AromaticContact CH2-CD1 3.85Å; W86-F123 HydrophobicContact CH2-CD1 3.85Å; W86-F123 AromaticContact CH2-CE1 3.71Å; W86-F123 HydrophobicContact CH2-CE1 3.71Å; W86-F123 HydrophobicContact CZ2-CD1 4.27Å; W86-F123 AromaticContact CZ2-CE1 3.66Å; W86-F123 HydrophobicContact CZ2-CE1 3.66Å; V113-F123 VanDerWaalsContact O-CA 3.26Å; V113-F123 WeakPolarHBondContact O-CA 3.46Å; K114-F123 HydrophobicContact CB-CD1 3.61Å; K114-F123 HydrophobicContact CB-CE1 3.72Å; K114-F123 HydrophobicContact CD-CE1 4.27Å; F123-P136 WeakPolarHBondContact O-CD 3.42Å
124	G	98.8	Very high	97.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	-153.2	179	0	0	0	0	0	112	V113 Y134	V113-G124 VanDerWaalsContact CG2-C 3.46Å; V113-G124 WeakPolarHBondContact CG2-O 3.1Å; V113-G124 PolarHBondContact N-O 3.06Å; V113-G124 VanDerWaalsContact N-O 3.13Å; V113-G124 PolarHBondContact O-N 2.8Å; G124-Y134 WeakPolarHBondContact CA-O 3.25Å
125	K	98.7	Very high	97.5	Very high	14 Å²	14	41.6 Å²	41.6	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.9	-173.5	75.7	-171.2	178.9	-162.5	0	112	P45 P58 L110 Y111 Y134 E141	P45-K125 HydrophobicContact CB-CB 4.31Å; P45-K125 HydrophobicContact CG-CB 3.69Å; P58-K125 HydrophobicContact CG-CB 4.5Å; P58-K125 HydrophobicContact CG-CD 4.03Å; P58-K125 HydrophobicContact CG-CG 3.92Å; P58-K125 WeakPolarHBondContact O-CE 3.13Å; P58-K125 PolarHBondContact O-NZ 3.24Å; L110-K125 HydrophobicContact CD2-CD 4.42Å; Y111-K125 WeakPolarHBondContact O-CA 3.4Å; K125-Y134 HydrophobicContact CG-CD2 4.2Å; K125-Y134 PolarHBondContact N-O 3.16Å; K125-Y134 PolarHBondContact O-N 3.47Å; K125-E141 VanDerWaalsContact CE-OE1 3.29Å; K125-E141 WeakPolarHBondContact CE-OE1 3.45Å; K125-E141 IonicContact NZ-OE1 2.82Å; K125-E141 PolarHBondContact NZ-OE1 2.98Å
126	L	98.8	Very high	97.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.1	158.2	171.4	66.6	0	0	0	107.4	V94 L110 Y111 V113 C132 A133 Y147 V149	V94-L126 HydrophobicContact CB-CD2 4.4Å; V94-L126 HydrophobicContact CG2-CD2 3.48Å; V94-L126 VanDerWaalsContact CG2-CD2 3.48Å; V94-L126 HydrophobicContact CG2-CG 4.06Å; L110-L126 WeakPolarHBondContact CA-O 3.18Å; Y111-L126 HydrophobicContact CD2-CG 4.43Å; Y111-L126 PolarHBondContact N-O 2.71Å; Y111-L126 PolarHBondContact O-N 2.88Å; V113-L126 HydrophobicContact CG1-CB 3.5Å; V113-L126 HydrophobicContact CG1-CD2 4.42Å; L126-C132 WeakPolarHBondContact CD1-O 3.16Å; L126-A133 HydrophobicContact CB-CB 4.29Å; L126-A133 HydrophobicContact CD1-CB 4.3Å; L126-Y147 HydrophobicContact CD1-CE2 4.4Å; L126-Y147 HydrophobicContact CD2-CE2 3.61Å; L126-V149 HydrophobicContact CD2-CG2 4.15Å
127	H	98.6	Very high	97.5	Very high	20 Å²	20	40 Å²	40	9%	0.093	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.7	179.2	-168.6	155.2	0	0	0	108	D106 L110 G129 H130	D106-H127 IonicContact OD1-CE1 3.29Å; D106-H127 IonicContact OD1-NE2 2.88Å; D106-H127 PolarHBondContact OD1-NE2 3.04Å; D106-H127 IonicContact OD2-CE1 2.78Å; D106-H127 PolarHBondContact OD2-CE1 3.19Å; D106-H127 IonicContact OD2-NE2 3.09Å; D106-H127 PolarHBondContact OD2-NE2 2.81Å; L110-H127 HydrophobicContact CD2-CB 3.73Å; H127-G129 PolarHBondContact O-N 2.78Å; H127-H130 HydrophobicContact CB-CB 4.17Å; H127-H130 AromaticContact CE1-NE2 3.68Å; H127-H130 AromaticContact CG-CD2 3.82Å; H127-H130 AromaticContact CG-CE1 3.95Å; H127-H130 AromaticContact CG-NE2 3.81Å; H127-H130 AromaticContact ND1-CE1 3.53Å; H127-H130 AromaticContact ND1-NE2 3.57Å; H127-H130 WeakPolarHBondContact O-CB 3.44Å; H127-H130 PolarHBondContact O-N 3.29Å
128	E	98.4	Very high	97.5	Very high	69 Å²	69	42.4 Å²	42.4	32%	0.322	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	133.5	176	-172.8	68.6	-149.3	0	0	111.2	V94 E108 P109 Y111 H130	V94-E128 WeakPolarHBondContact CG2-OE2 3.36Å; E108-E128 HydrophobicContact CB-CB 4.19Å; P109-E128 HydrophobicContact CG-CB 3.82Å; P109-E128 HydrophobicContact CG-CG 4.24Å; P109-E128 PolarHBondContact O-N 3.01Å; P109-E128 VanDerWaalsContact O-N 3.16Å; Y111-E128 HydrophobicContact CE2-CB 4.11Å; Y111-E128 WeakPolarHBondContact CE2-OE2 3.37Å; Y111-E128 PolarHBondContact OH-OE2 3.36Å; Y111-E128 VanDerWaalsContact OH-OE2 3.13Å; E128-H130 VanDerWaalsContact C-N 3.28Å; E128-H130 PolarHBondContact O-N 2.98Å
129	G	97.4	Very high	97.7	Very high	74 Å²	74	40.4 Å²	40.4	76%	0.763	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-7.5	-178	0	0	0	0	0	115.6	H127	H127-G129 PolarHBondContact O-N 2.78Å
130	H	98.3	Very high	97.9	Very high	69 Å²	69	38.7 Å²	38.7	32%	0.319	24%	0.235	S	C	.	.			trans	-86.5	153.2	170	-72	-150.5	0	0	0	111.1	G92 H127 E128 C132 Y134	G92-H130 WeakPolarHBondContact CA-O 3.36Å; H127-H130 HydrophobicContact CB-CB 4.17Å; H127-H130 AromaticContact CE1-NE2 3.68Å; H127-H130 AromaticContact CG-CD2 3.82Å; H127-H130 AromaticContact CG-CE1 3.95Å; H127-H130 AromaticContact CG-NE2 3.81Å; H127-H130 AromaticContact ND1-CE1 3.53Å; H127-H130 AromaticContact ND1-NE2 3.57Å; H127-H130 WeakPolarHBondContact O-CB 3.44Å; H127-H130 PolarHBondContact O-N 3.29Å; E128-H130 VanDerWaalsContact C-N 3.28Å; E128-H130 PolarHBondContact O-N 2.98Å; H130-C132 VanDerWaalsContact C-N 3.35Å; H130-C132 PolarHBondContact O-N 2.85Å; H130-Y134 HydrophobicContact CB-CE2 4.21Å; H130-Y134 AromaticContact ND1-CE2 3.46Å; H130-Y134 WeakPolarHBondContact ND1-CE2 3.48Å; H130-Y134 AromaticContact ND1-CZ 3.56Å; H130-Y134 PolarHBondContact ND1-OH 2.88Å
131	S	97.9	Very high	98.1	Very high	88 Å²	88	35.6 Å²	35.6	62%	0.615	22%	0.221	S	C	*	.	S	Bend	trans	-89.4	9.9	-175	67	0	0	0	0	114.9	D91 G92	D91-S131 CarbonylContact C-O 3.5Å; D91-S131 WeakPolarHBondContact CA-O 3.46Å; G92-S131 PolarHBondContact N-O 3.27Å
132	C	98.4	Very high	98.3	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.054	22%	0.224	C	C	.	.	S	Bend	trans	-159.2	167.2	-178.3	65	0	0	0	0	110.7	L126 H130 V144	L126-C132 WeakPolarHBondContact CD1-O 3.16Å; H130-C132 VanDerWaalsContact C-N 3.35Å; H130-C132 PolarHBondContact O-N 2.85Å; C132-V144 WeakPolarHBondContact CB-O 3.4Å
133	A	98.8	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	159.3	166.6	0	0	0	0	0	111.1	V113 L126 S143 V144 Y147	V113-A133 HydrophobicContact CB-CB 4.4Å; V113-A133 HydrophobicContact CG1-CB 4.19Å; V113-A133 HydrophobicContact CG2-CB 3.85Å; L126-A133 HydrophobicContact CB-CB 4.29Å; L126-A133 HydrophobicContact CD1-CB 4.3Å; A133-S143 CarbonylContact O-C 3.52Å; A133-S143 WeakPolarHBondContact O-CA 3.38Å; A133-V144 HydrophobicContact CB-CG2 4.06Å; A133-V144 PolarHBondContact N-O 3.02Å; A133-V144 PolarHBondContact O-N 2.94Å; A133-Y147 HydrophobicContact CB-CD1 3.42Å; A133-Y147 VanDerWaalsContact CB-CD1 3.42Å; A133-Y147 HydrophobicContact CB-CD2 4.28Å; A133-Y147 HydrophobicContact CB-CE1 3.77Å; A133-Y147 HydrophobicContact CB-CG 3.71Å
134	Y	98.8	Very high	98.4	Very high	36 Å²	36	42 Å²	42	14%	0.141	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.1	-175.3	-58.2	-83.8	0	0	0	110.2	P58 G124 K125 H130 E141 Y142 S143	P58-Y134 WeakPolarHBondContact CG-O 3.5Å; G124-Y134 WeakPolarHBondContact CA-O 3.25Å; K125-Y134 HydrophobicContact CG-CD2 4.2Å; K125-Y134 PolarHBondContact N-O 3.16Å; K125-Y134 PolarHBondContact O-N 3.47Å; H130-Y134 HydrophobicContact CB-CE2 4.21Å; H130-Y134 AromaticContact ND1-CE2 3.46Å; H130-Y134 WeakPolarHBondContact ND1-CE2 3.48Å; H130-Y134 AromaticContact ND1-CZ 3.56Å; H130-Y134 PolarHBondContact ND1-OH 2.88Å; Y134-E141 HydrophobicContact CD1-CG 3.75Å; Y134-E141 HydrophobicContact CG-CG 4.19Å; Y134-Y142 CarbonylContact C-O 3.58Å; Y134-Y142 VanDerWaalsContact CA-O 3.32Å; Y134-Y142 WeakPolarHBondContact CA-O 3.23Å; Y134-S143 WeakPolarHBondContact CE1-OG 3.28Å
135	L	98.8	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	127.6	-177.4	-58.3	-178.3	0	0	0	110.5	V113 V117 C122 Y142 V144	V113-L135 HydrophobicContact CG2-CD2 3.82Å; V117-L135 HydrophobicContact CG2-CB 3.93Å; V117-L135 HydrophobicContact CG2-CD1 3.73Å; V117-L135 HydrophobicContact CG2-CG 4.46Å; C122-L135 HydrophobicContact CB-CB 4.38Å; C122-L135 HydrophobicContact CB-CD1 4.32Å; C122-L135 WeakPolarHBondContact O-CD2 3.35Å; L135-Y142 PolarHBondContact N-O 2.85Å; L135-Y142 PolarHBondContact O-N 3.09Å; L135-V144 HydrophobicContact CD1-CB 4.49Å; L135-V144 HydrophobicContact CD1-CG1 3.94Å; L135-V144 HydrophobicContact CD1-CG2 3.75Å; L135-V144 HydrophobicContact CG-CG1 4.47Å; L135-V144 HydrophobicContact CG-CG2 3.94Å
136	P	98.5	Very high	98.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	124.7	175.5	30.4	-29.6	0	0	0	109.7	K47 Y56 P58 E63 C122 F123	K47-P136 HydrophobicContact CD-CG 4.44Å; K47-P136 WeakPolarHBondContact CE-O 3.43Å; K47-P136 HydrophobicContact CG-CG 4.26Å; K47-P136 PolarHBondContact NZ-O 3.21Å; Y56-P136 WeakPolarHBondContact O-CG 3.34Å; P58-P136 HydrophobicContact CB-CB 4.22Å; P58-P136 HydrophobicContact CB-CG 4.49Å; P58-P136 HydrophobicContact CG-CG 4.37Å; E63-P136 HydrophobicContact CB-CB 3.93Å; E63-P136 HydrophobicContact CG-CB 3.67Å; E63-P136 WeakPolarHBondContact OE1-CB 3.26Å; C122-P136 PolarHBondContact SG-O 3.08Å; F123-P136 WeakPolarHBondContact O-CD 3.42Å
137	W	98.1	Very high	98.3	Very high	69 Å²	69	50.7 Å²	50.7	26%	0.261	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	137	172.4	-167.4	99	0	0	0	111.4	E63 V117 N118 E120 G139 K140 Y142	E63-W137 WeakPolarHBondContact OE1-CA 3.48Å; E63-W137 PolarHBondContact OE1-N 3.17Å; V117-W137 HydrophobicContact CB-CB 4.24Å; V117-W137 HydrophobicContact CB-CG 4.2Å; V117-W137 HydrophobicContact CG1-CB 3.76Å; V117-W137 HydrophobicContact CG1-CD2 3.98Å; V117-W137 HydrophobicContact CG1-CE3 4.36Å; V117-W137 HydrophobicContact CG1-CG 3.71Å; N118-W137 HydrophobicContact CB-CH2 4.1Å; N118-W137 HydrophobicContact CB-CZ2 3.77Å; N118-W137 WeakPolarHBondContact ND2-CH2 3.36Å; N118-W137 WeakPolarHBondContact ND2-CZ2 3.31Å; N118-W137 WeakPolarHBondContact ND2-CZ3 3.48Å; E120-W137 PolarHBondContact OE2-NE1 3.42Å; W137-G139 VanDerWaalsContact C-N 3.26Å; W137-G139 PolarHBondContact O-N 2.82Å; W137-G139 VanDerWaalsContact O-N 3.16Å; W137-K140 PolarHBondContact N-O 3.05Å; W137-K140 PolarHBondContact O-N 2.81Å; W137-Y142 HydrophobicContact CB-CD2 3.98Å; W137-Y142 HydrophobicContact CB-CE2 4.01Å; W137-Y142 HydrophobicContact CE3-CE2 4.08Å; W137-Y142 VanDerWaalsContact O-CE2 3.3Å; W137-Y142 WeakPolarHBondContact O-CE2 3.37Å
138	G	96.7	Very high	98.3	Very high	57 Å²	57	51 Å²	51	59%	0.588	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	37.4	170.7	0	0	0	0	0	114.5	E63 K140	E63-G138 PolarHBondContact OE2-N 2.88Å; G138-K140 VanDerWaalsContact C-N 3.35Å
139	G	97.9	Very high	98.3	Very high	46 Å²	46	47.7 Å²	47.7	47%	0.474	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	2.6	-179	0	0	0	0	0	115.3	E63 W137	E63-G139 PolarHBondContact N-O 2.88Å; E63-G139 PolarHBondContact OE2-N 3.25Å; W137-G139 VanDerWaalsContact C-N 3.26Å; W137-G139 PolarHBondContact O-N 2.82Å; W137-G139 VanDerWaalsContact O-N 3.16Å
140	K	98.6	Very high	98.4	Very high	125 Å²	125	44.2 Å²	44.2	54%	0.543	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	155.3	-176.9	-63.4	-178.4	-179.1	178.8	0	112.7	W137 G138 Y142	W137-K140 PolarHBondContact N-O 3.05Å; W137-K140 PolarHBondContact O-N 2.81Å; G138-K140 VanDerWaalsContact C-N 3.35Å; K140-Y142 HydrophobicContact CB-CD2 4.19Å; K140-Y142 HydrophobicContact CB-CE2 3.8Å
141	E	98.6	Very high	98.3	Very high	34 Å²	34	41 Å²	41	16%	0.159	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.7	163.6	175.8	173.8	-114.6	0	0	108.8	P58 Y59 G60 G61 K125 Y134	P58-E141 HydrophobicContact CB-CB 4.12Å; P58-E141 HydrophobicContact CB-CG 3.64Å; P58-E141 WeakPolarHBondContact CB-OE1 3.41Å; Y59-E141 WeakPolarHBondContact CA-OE1 3.47Å; Y59-E141 PolarHBondContact N-OE1 2.84Å; Y59-E141 VanDerWaalsContact N-OE1 3.16Å; G60-E141 PolarHBondContact N-OE2 2.97Å; G61-E141 VanDerWaalsContact C-CB 3.48Å; G61-E141 PolarHBondContact N-OE2 2.95Å; G61-E141 PolarHBondContact O-N 3.32Å; G61-E141 VanDerWaalsContact O-N 3.08Å; K125-E141 VanDerWaalsContact CE-OE1 3.29Å; K125-E141 WeakPolarHBondContact CE-OE1 3.45Å; K125-E141 IonicContact NZ-OE1 2.82Å; K125-E141 PolarHBondContact NZ-OE1 2.98Å; Y134-E141 HydrophobicContact CD1-CG 3.75Å; Y134-E141 HydrophobicContact CG-CG 4.19Å
142	Y	98.6	Very high	98.1	Very high	74 Å²	74	39.9 Å²	39.9	29%	0.29	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.2	176.7	-76.9	-99.3	0	0	0	110.3	V117 Y134 L135 W137 K140	V117-Y142 HydrophobicContact CG1-CD1 4.03Å; V117-Y142 HydrophobicContact CG1-CD2 3.97Å; V117-Y142 HydrophobicContact CG1-CE1 4.16Å; V117-Y142 HydrophobicContact CG1-CE2 4.1Å; V117-Y142 HydrophobicContact CG1-CG 3.94Å; V117-Y142 HydrophobicContact CG2-CG 4.29Å; Y134-Y142 CarbonylContact C-O 3.58Å; Y134-Y142 VanDerWaalsContact CA-O 3.32Å; Y134-Y142 WeakPolarHBondContact CA-O 3.23Å; L135-Y142 PolarHBondContact N-O 2.85Å; L135-Y142 PolarHBondContact O-N 3.09Å; W137-Y142 HydrophobicContact CB-CD2 3.98Å; W137-Y142 HydrophobicContact CB-CE2 4.01Å; W137-Y142 HydrophobicContact CE3-CE2 4.08Å; W137-Y142 VanDerWaalsContact O-CE2 3.3Å; W137-Y142 WeakPolarHBondContact O-CE2 3.37Å; K140-Y142 HydrophobicContact CB-CD2 4.19Å; K140-Y142 HydrophobicContact CB-CE2 3.8Å
143	S	98.5	Very high	97.7	Very high	77 Å²	77	43.2 Å²	43.2	54%	0.538	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.9	168.5	-66.6	0	0	0	0	110.4	A133 Y134	A133-S143 CarbonylContact O-C 3.52Å; A133-S143 WeakPolarHBondContact O-CA 3.38Å; Y134-S143 WeakPolarHBondContact CE1-OG 3.28Å
144	V	98.4	Very high	96.5	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.127	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.2	177.3	-60.6	0	0	0	0	110.9	V117 C132 A133 L135 Y147	V117-V144 HydrophobicContact CG2-CG1 4.44Å; C132-V144 WeakPolarHBondContact CB-O 3.4Å; A133-V144 HydrophobicContact CB-CG2 4.06Å; A133-V144 PolarHBondContact N-O 3.02Å; A133-V144 PolarHBondContact O-N 2.94Å; L135-V144 HydrophobicContact CD1-CB 4.49Å; L135-V144 HydrophobicContact CD1-CG1 3.94Å; L135-V144 HydrophobicContact CD1-CG2 3.75Å; L135-V144 HydrophobicContact CG-CG1 4.47Å; L135-V144 HydrophobicContact CG-CG2 3.94Å; V144-Y147 HydrophobicContact CG2-CD1 4.46Å
145	N	98.3	Very high	94.8	Very high	91 Å²	91	56 Å²	56	49%	0.487	29%	0.29	S	S	.	.	S	Bend	trans	-94	-12.7	-179.8	-71.3	-4.7	0	0	0	113.1	F90 D91	F90-N145 CarbonylContact C-O 3.56Å; F90-N145 WeakPolarHBondContact CA-O 3.39Å; D91-N145 PolarHBondContact N-O 3.32Å; D91-N145 WeakPolarHBondContact OD1-CB 3.47Å
146	E	98.5	Very high	94.6	Very high	103 Å²	103	58.8 Å²	58.8	48%	0.481	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.2	176.2	176.8	171.6	-153.5	0	0	109.1	R88 F90	R88-E146 IonicContact CZ-OE1 3.55Å; R88-E146 IonicContact NE-OE1 3.97Å; R88-E146 IonicContact NH1-OE1 2.62Å; R88-E146 PolarHBondContact NH1-OE1 3.37Å; F90-E146 HydrophobicContact CD1-CB 3.98Å; F90-E146 HydrophobicContact CD1-CG 4.01Å; F90-E146 HydrophobicContact CE1-CB 4.05Å; F90-E146 HydrophobicContact CE1-CG 3.6Å
147	Y	98.6	Very high	94.3	Very high	3 Å²	3	61.8 Å²	61.8	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160.3	-176.6	49.7	-93.1	0	0	0	110.5	A89 G92 N93 V113 K114 L126 A133 V144 V149	A89-Y147 HydrophobicContact CB-CD2 4.15Å; A89-Y147 HydrophobicContact CB-CE2 3.57Å; A89-Y147 PolarHBondContact N-O 3.05Å; A89-Y147 PolarHBondContact O-N 2.91Å; G92-Y147 WeakPolarHBondContact CA-OH 3.09Å; G92-Y147 PolarHBondContact N-OH 3.28Å; N93-Y147 PolarHBondContact N-OH 2.91Å; N93-Y147 VanDerWaalsContact N-OH 3.07Å; N93-Y147 PolarHBondContact O-OH 2.84Å; V113-Y147 HydrophobicContact CB-CD2 4.37Å; V113-Y147 HydrophobicContact CG1-CD2 3.77Å; V113-Y147 HydrophobicContact CG1-CE2 4.31Å; V113-Y147 HydrophobicContact CG1-CG 4.34Å; K114-Y147 CarbonylContact O-C 3.56Å; K114-Y147 WeakPolarHBondContact O-CA 3.47Å; K114-Y147 WeakPolarHBondContact O-CB 3.37Å; L126-Y147 HydrophobicContact CD1-CE2 4.4Å; L126-Y147 HydrophobicContact CD2-CE2 3.61Å; A133-Y147 HydrophobicContact CB-CD1 3.42Å; A133-Y147 VanDerWaalsContact CB-CD1 3.42Å; A133-Y147 HydrophobicContact CB-CD2 4.28Å; A133-Y147 HydrophobicContact CB-CE1 3.77Å; A133-Y147 HydrophobicContact CB-CG 3.71Å; V144-Y147 HydrophobicContact CG2-CD1 4.46Å; Y147-V149 HydrophobicContact CD2-CG2 3.62Å; Y147-V149 HydrophobicContact CE2-CG2 3.52Å
148	D	98.7	Very high	94.1	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.144	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.3	165.7	-57.9	-38.6	0	0	0	109.4	W86 E87 R88 V113 K114	W86-D148 HydrophobicContact CB-CB 4.04Å; W86-D148 HydrophobicContact CE3-CB 4Å; E87-D148 CarbonylContact O-C 3.49Å; E87-D148 WeakPolarHBondContact O-CA 3.38Å; R88-D148 WeakPolarHBondContact CA-OD1 3.37Å; R88-D148 IonicContact CZ-OD1 3.4Å; R88-D148 IonicContact NE-OD1 2.71Å; R88-D148 PolarHBondContact NE-OD1 3.05Å; R88-D148 IonicContact NH2-OD1 3.18Å; R88-D148 PolarHBondContact NH2-OD1 2.89Å; R88-D148 IonicContact NH2-OD2 3.85Å; V113-D148 CarbonylContact C-O 3.54Å; V113-D148 VanDerWaalsContact CA-O 3.24Å; V113-D148 WeakPolarHBondContact CA-O 3.46Å; K114-D148 HydrophobicContact CD-CB 4.44Å; K114-D148 WeakPolarHBondContact CE-OD2 3.49Å; K114-D148 HydrophobicContact CG-CB 3.87Å; K114-D148 PolarHBondContact N-O 3Å; K114-D148 IonicContact NZ-OD2 3.68Å; K114-D148 PolarHBondContact O-N 3.29Å
149	V	98.8	Very high	94	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	137.6	177.3	-171.6	0	0	0	0	109.6	W86 E87 A89 P95 A98 V113 L126 Y147 V151	W86-V149 WeakPolarHBondContact CA-O 3.1Å; E87-V149 PolarHBondContact N-O 2.99Å; E87-V149 PolarHBondContact O-N 3.45Å; A89-V149 HydrophobicContact CB-CG2 3.93Å; P95-V149 HydrophobicContact CG-CB 4.09Å; P95-V149 HydrophobicContact CG-CG2 4.04Å; A98-V149 HydrophobicContact CB-CG1 3.73Å; V113-V149 HydrophobicContact CG1-CG2 4.11Å; L126-V149 HydrophobicContact CD2-CG2 4.15Å; Y147-V149 HydrophobicContact CD2-CG2 3.62Å; Y147-V149 HydrophobicContact CE2-CG2 3.52Å; V149-V151 HydrophobicContact CB-CG1 4.41Å; V149-V151 HydrophobicContact CG1-CG1 4.38Å; V149-V151 PolarHBondContact O-N 3.27Å
150	L	98.3	Very high	93.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.6	172.6	-164.8	75	0	0	0	109.3	L12 L72 Y84 W86 I99 I112	L12-L150 HydrophobicContact CD1-CD2 4.35Å; L72-L150 HydrophobicContact CD2-CD2 3.54Å; Y84-L150 HydrophobicContact CD2-CD1 3.38Å; Y84-L150 HydrophobicContact CD2-CG 4.21Å; Y84-L150 HydrophobicContact CE2-CD1 3.7Å; Y84-L150 HydrophobicContact CG-CD1 4.38Å; W86-L150 HydrophobicContact CD2-CD1 3.8Å; W86-L150 HydrophobicContact CE3-CB 4.08Å; W86-L150 HydrophobicContact CE3-CD1 4.14Å; W86-L150 HydrophobicContact CG-CD1 4.39Å; W86-L150 HydrophobicContact CH2-CB 4.04Å; W86-L150 HydrophobicContact CH2-CD1 3.99Å; W86-L150 HydrophobicContact CZ2-CD1 3.63Å; W86-L150 HydrophobicContact CZ3-CB 3.78Å; W86-L150 HydrophobicContact CZ3-CD1 4.22Å; I99-L150 HydrophobicContact CD1-CD2 3.9Å; I99-L150 HydrophobicContact CD1-CG 4.02Å; I99-L150 PolarHBondContact N-O 2.82Å; I112-L150 HydrophobicContact CB-CB 3.96Å; I112-L150 HydrophobicContact CD1-CB 4.45Å; I112-L150 HydrophobicContact CD1-CD2 3.64Å; I112-L150 HydrophobicContact CG2-CB 4.21Å; I112-L150 PolarHBondContact O-N 3.07Å
151	V	97.5	Very high	93.4	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	146.7	-177.2	-57.4	0	0	0	0	111.3	Y84 C85 E87 P95 A98 V149 Q153	Y84-V151 CarbonylContact C-O 3.48Å; Y84-V151 WeakPolarHBondContact CA-O 3.29Å; Y84-V151 WeakPolarHBondContact CB-O 3.46Å; C85-V151 PolarHBondContact N-O 2.82Å; C85-V151 PolarHBondContact O-N 2.85Å; C85-V151 WeakPolarHBondContact SG-CG2 3.32Å; E87-V151 HydrophobicContact CB-CG1 3.97Å; E87-V151 HydrophobicContact CB-CG2 3.98Å; P95-V151 HydrophobicContact CB-CG1 3.86Å; P95-V151 HydrophobicContact CG-CG1 4.41Å; A98-V151 HydrophobicContact CB-CG1 4.49Å; V149-V151 HydrophobicContact CB-CG1 4.41Å; V149-V151 HydrophobicContact CG1-CG1 4.38Å; V149-V151 PolarHBondContact O-N 3.27Å; V151-Q153 PolarHBondContact O-N 2.87Å
152	W	93.7	Very high	93	Very high	63 Å²	63	60.3 Å²	60.3	24%	0.239	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.1	168.9	174.6	62.2	0	0	0	110.2	M1 G83 N97 I99 K154	M1-W152 HydrophobicContact CB-CZ2 4.13Å; M1-W152 VanDerWaalsContact O-CE2 3.29Å; M1-W152 VanDerWaalsContact O-CZ2 3.26Å; M1-W152 WeakPolarHBondContact O-CZ2 3.07Å; M1-W152 PolarHBondContact O-NE1 3.38Å; G83-W152 PolarHBondContact O-NE1 2.81Å; N97-W152 HydrophobicContact CB-CB 4.01Å; N97-W152 HydrophobicContact CB-CE3 4.11Å; N97-W152 PolarHBondContact O-N 3.15Å; I99-W152 HydrophobicContact CG1-CB 4.43Å; W152-K154 HydrophobicContact CE3-CB 4.36Å; W152-K154 HydrophobicContact CH2-CB 3.4Å; W152-K154 HydrophobicContact CH2-CD 3.74Å; W152-K154 HydrophobicContact CH2-CG 3.42Å; W152-K154 VanDerWaalsContact CH2-CG 3.42Å; W152-K154 HydrophobicContact CZ2-CB 3.82Å; W152-K154 HydrophobicContact CZ2-CG 3.93Å; W152-K154 HydrophobicContact CZ3-CB 3.67Å; W152-K154 HydrophobicContact CZ3-CD 4.18Å; W152-K154 HydrophobicContact CZ3-CG 4.1Å
153	Q	88.2	Confident	92.6	Very high	79 Å²	79	59.2 Å²	59.2	37%	0.369	29%	0.29	S	S	.	.			trans	-101.5	115.8	176.1	-168	171.6	31.1	0	0	109.7	G83 V151 H155	G83-Q153 CarbonylContact C-O 3.56Å; G83-Q153 WeakPolarHBondContact CA-O 3.04Å; G83-Q153 PolarHBondContact O-N 2.67Å; V151-Q153 PolarHBondContact O-N 2.87Å; Q153-H155 PolarHBondContact OE1-NE2 2.99Å
154	K	73.8	Confident	92.1	Very high	157 Å²	157	57.8 Å²	57.8	68%	0.683	27%	0.27	S	S	*	.			trans	-74.5	127.2	171.5	-168.3	173.4	-178.1	-178	0	109.4	W152	W152-K154 HydrophobicContact CE3-CB 4.36Å; W152-K154 HydrophobicContact CH2-CB 3.4Å; W152-K154 HydrophobicContact CH2-CD 3.74Å; W152-K154 HydrophobicContact CH2-CG 3.42Å; W152-K154 VanDerWaalsContact CH2-CG 3.42Å; W152-K154 HydrophobicContact CZ2-CB 3.82Å; W152-K154 HydrophobicContact CZ2-CG 3.93Å; W152-K154 HydrophobicContact CZ3-CB 3.67Å; W152-K154 HydrophobicContact CZ3-CD 4.18Å; W152-K154 HydrophobicContact CZ3-CG 4.1Å
155	H	62.8	Low	91.6	Very high	146 Å²	146	61.1 Å²	61.1	68%	0.676	28%	0.283	S	S	*	.			trans	-112.6	0	161.1	-64.3	-79.2	0	0	0	109.2	C81 Q153	C81-H155 PolarHBondContact SG-CD2 2.86Å; Q153-H155 PolarHBondContact OE1-NE2 2.99Å

Retrieved 155 of 155 residues in 54.7 ms (Link to these results)

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