A0A5K4FEM5_SCHMA Loading...

Dyp-type peroxidase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FEM5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	89.3	Confident	92.8	Very high	176 Å²	176	98.1 Å²	98.1	87%	0.867	51%	0.512	S	S	*	.				0	-71.5	0	-162.6	-176.7	78	0	0	112.7	F3 D4 L5	M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 2.78Å; M1-D4 WeakPolarHBondContact CA-OD2 3.23Å; M1-D4 PolarHBondContact N-OD2 3.43Å; M1-D4 PolarHBondContact O-N 3.28Å; M1-L5 WeakPolarHBondContact O-CB 3.35Å; M1-L5 PolarHBondContact O-N 2.71Å
2	L	92.2	Very high	92.7	Very high	132 Å²	132	96.8 Å²	96.8	69%	0.691	51%	0.506	S	S	*	.	H	α-helix	trans	-64.2	-39	-177.9	-69.2	179.7	0	0	0	112.7	L5 A6	L2-L5 PolarHBondContact O-N 3.37Å; L2-A6 PolarHBondContact O-N 2.93Å
3	F	93.2	Very high	92.5	Very high	120 Å²	120	95 Å²	95	53%	0.526	50%	0.495	S	S	.	.	H	α-helix	trans	-58.1	-54.2	173.2	-174.8	-89.6	0	0	0	111.6	M1 L5 A6 D7 Y25	M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 2.78Å; F3-L5 VanDerWaalsContact C-N 3.26Å; F3-L5 PolarHBondContact O-N 3.47Å; F3-A6 PolarHBondContact O-N 3.28Å; F3-A6 VanDerWaalsContact O-N 3.09Å; F3-D7 PolarHBondContact O-N 3.4Å; F3-Y25 HydrophobicContact CD2-CE1 4.32Å; F3-Y25 WeakPolarHBondContact CD2-OH 3.34Å; F3-Y25 WeakPolarHBondContact CE2-OH 3.2Å
4	D	95.6	Very high	92.4	Very high	98 Å²	98	92.6 Å²	92.6	52%	0.524	49%	0.488	S	S	.	.	H	α-helix	trans	-60.9	-35.2	-179.7	-42.2	-52.1	0	0	0	112.4	M1 S8	M1-D4 WeakPolarHBondContact CA-OD2 3.23Å; M1-D4 PolarHBondContact N-OD2 3.43Å; M1-D4 PolarHBondContact O-N 3.28Å; D4-S8 WeakPolarHBondContact O-CB 3.35Å; D4-S8 PolarHBondContact O-N 2.91Å
5	L	94.4	Very high	92.1	Very high	99 Å²	99	95.6 Å²	95.6	52%	0.518	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-44.9	174.4	177.5	62.2	0	0	0	111.6	M1 L2 F3 S8 I9	M1-L5 WeakPolarHBondContact O-CB 3.35Å; M1-L5 PolarHBondContact O-N 2.71Å; L2-L5 PolarHBondContact O-N 3.37Å; F3-L5 VanDerWaalsContact C-N 3.26Å; F3-L5 PolarHBondContact O-N 3.47Å; L5-S8 PolarHBondContact O-N 2.94Å; L5-I9 HydrophobicContact CD1-CD1 4.23Å; L5-I9 HydrophobicContact CD1-CG1 4.46Å; L5-I9 HydrophobicContact CG-CD1 4.14Å; L5-I9 WeakPolarHBondContact O-CG1 3.2Å; L5-I9 PolarHBondContact O-N 3.4Å
6	A	93.2	Very high	92.1	Very high	35 Å²	35	94.9 Å²	94.9	29%	0.289	54%	0.537	S	S	.	.	H	α-helix	trans	-62.4	-45.4	177.1	0	0	0	0	0	110.9	L2 F3 S8 I9 I10	L2-A6 PolarHBondContact O-N 2.93Å; F3-A6 PolarHBondContact O-N 3.28Å; F3-A6 VanDerWaalsContact O-N 3.09Å; A6-S8 PolarHBondContact O-N 3.31Å; A6-I9 PolarHBondContact O-N 3.2Å; A6-I10 VanDerWaalsContact O-CG1 3.32Å; A6-I10 WeakPolarHBondContact O-CG1 3.34Å; A6-I10 PolarHBondContact O-N 3.2Å
7	D	93.7	Very high	92.1	Very high	82 Å²	82	93.5 Å²	93.5	44%	0.439	53%	0.534	S	S	.	.	H	α-helix	trans	-56.2	-50	174.2	-177.3	61.7	0	0	0	111.2	F3 I9 I10 Q11	F3-D7 PolarHBondContact O-N 3.4Å; D7-I9 VanDerWaalsContact C-N 3.3Å; D7-I9 PolarHBondContact O-N 3.33Å; D7-I10 PolarHBondContact O-N 3.17Å; D7-Q11 VanDerWaalsContact O-CG 3.23Å; D7-Q11 WeakPolarHBondContact O-CG 3.48Å; D7-Q11 PolarHBondContact O-N 3.06Å
8	S	94.7	Very high	92	Very high	61 Å²	61	92.5 Å²	92.5	43%	0.427	53%	0.525	S	S	.	.	H	α-helix	trans	-57.8	-40	177.4	-174.4	0	0	0	0	112.9	D4 L5 A6 N12	D4-S8 WeakPolarHBondContact O-CB 3.35Å; D4-S8 PolarHBondContact O-N 2.91Å; L5-S8 PolarHBondContact O-N 2.94Å; A6-S8 PolarHBondContact O-N 3.31Å; S8-N12 PolarHBondContact O-N 3.31Å; S8-N12 PolarHBondContact O-ND2 3.24Å
9	I	92.1	Very high	92.1	Very high	86 Å²	86	95.3 Å²	95.3	44%	0.441	54%	0.538	S	S	.	.	H	α-helix	trans	-65.7	-48.7	177.8	-70.1	166.1	0	0	0	110	L5 A6 D7 Q11 N12 M13	L5-I9 HydrophobicContact CD1-CD1 4.23Å; L5-I9 HydrophobicContact CD1-CG1 4.46Å; L5-I9 HydrophobicContact CG-CD1 4.14Å; L5-I9 WeakPolarHBondContact O-CG1 3.2Å; L5-I9 PolarHBondContact O-N 3.4Å; A6-I9 PolarHBondContact O-N 3.2Å; D7-I9 VanDerWaalsContact C-N 3.3Å; D7-I9 PolarHBondContact O-N 3.33Å; I9-Q11 VanDerWaalsContact C-N 3.32Å; I9-Q11 PolarHBondContact O-N 3.33Å; I9-N12 PolarHBondContact O-N 3.46Å; I9-M13 HydrophobicContact CG2-CE 3.97Å; I9-M13 WeakPolarHBondContact O-CG 3.45Å; I9-M13 PolarHBondContact O-N 3.45Å
10	I	91.3	Very high	92	Very high	50 Å²	50	99.6 Å²	99.6	26%	0.256	55%	0.551	S	S	.	*	H	α-helix	trans	-62.3	-40.6	-177.2	-66	-61.1	0	0	0	111.4	A6 D7 N12 M13 M18 F21	A6-I10 VanDerWaalsContact O-CG1 3.32Å; A6-I10 WeakPolarHBondContact O-CG1 3.34Å; A6-I10 PolarHBondContact O-N 3.2Å; D7-I10 PolarHBondContact O-N 3.17Å; I10-N12 VanDerWaalsContact C-N 3.26Å; I10-N12 PolarHBondContact O-N 3.28Å; I10-M13 PolarHBondContact O-N 3.01Å; I10-M18 HydrophobicContact CB-CE 4.49Å; I10-M18 HydrophobicContact CD1-CE 3.54Å; I10-M18 HydrophobicContact CD1-SD 3.58Å; I10-M18 VanDerWaalsContact CD1-SD 3.58Å; I10-M18 HydrophobicContact CG2-CE 4.02Å; I10-F21 HydrophobicContact CD1-CD2 3.5Å; I10-F21 VanDerWaalsContact CD1-CD2 3.5Å; I10-F21 HydrophobicContact CD1-CE2 3.59Å; I10-F21 HydrophobicContact CD1-CG 4.1Å; I10-F21 HydrophobicContact CD1-CZ 4.25Å; I10-F21 HydrophobicContact CG1-CD2 4.23Å; I10-F21 HydrophobicContact CG1-CE2 3.89Å; I10-F21 HydrophobicContact CG1-CZ 4.09Å
11	Q	91.3	Very high	91.9	Very high	140 Å²	140	100.6 Å²	100.6	65%	0.654	55%	0.55	S	S	*	.	H	α-helix	trans	-69.2	-20.9	179.8	-64.6	-74.2	34.9	0	0	113.9	D7 I9	D7-Q11 VanDerWaalsContact O-CG 3.23Å; D7-Q11 WeakPolarHBondContact O-CG 3.48Å; D7-Q11 PolarHBondContact O-N 3.06Å; I9-Q11 VanDerWaalsContact C-N 3.32Å; I9-Q11 PolarHBondContact O-N 3.33Å
12	N	91.8	Very high	92	Very high	82 Å²	82	97.5 Å²	97.5	44%	0.439	53%	0.533	S	S	.	.	H	α-helix	trans	-98.4	-0.6	178.4	-74	-81	0	0	0	113.4	S8 I9 I10	S8-N12 PolarHBondContact O-N 3.31Å; S8-N12 PolarHBondContact O-ND2 3.24Å; I9-N12 PolarHBondContact O-N 3.46Å; I10-N12 VanDerWaalsContact C-N 3.26Å; I10-N12 PolarHBondContact O-N 3.28Å
13	M	89.9	Confident	92	Very high	74 Å²	74	95 Å²	95	37%	0.365	52%	0.52	S	S	.	.	S	Bend	trans	-75.5	138.2	173.9	-75.9	-67.6	-175.5	0	0	110.9	I9 I10 M18	I9-M13 HydrophobicContact CG2-CE 3.97Å; I9-M13 WeakPolarHBondContact O-CG 3.45Å; I9-M13 PolarHBondContact O-N 3.45Å; I10-M13 PolarHBondContact O-N 3.01Å; M13-M18 HydrophobicContact CB-CE 3.73Å; M13-M18 HydrophobicContact CB-SD 4.39Å; M13-M18 HydrophobicContact CG-CE 3.92Å; M13-M18 HydrophobicContact CG-SD 4.04Å
14	P	90.6	Very high	92	Very high	62 Å²	62	91.6 Å²	91.6	40%	0.403	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-54.4	137.1	177.1	-26.7	33.5	0	0	0	112.4	G16 C17	P14-G16 PolarHBondContact O-N 3.43Å; P14-C17 HydrophobicContact CB-CB 4.2Å; P14-C17 WeakPolarHBondContact O-CB 3.42Å; P14-C17 PolarHBondContact O-N 2.99Å; P14-C17 PolarHBondContact O-SG 3.36Å
15	P	88.9	Confident	91.9	Very high	137 Å²	137	92.9 Å²	92.9	89%	0.89	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	131.2	178.7	-27.9	35.1	0	0	0	112.2	C17	P15-C17 VanDerWaalsContact C-N 3.29Å; P15-C17 PolarHBondContact O-N 3.09Å
16	G	91.2	Very high	92	Very high	84 Å²	84	89.9 Å²	89.9	87%	0.866	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	2.9	179.7	0	0	0	0	0	115.8	P14 M18	P14-G16 PolarHBondContact O-N 3.43Å; G16-M18 VanDerWaalsContact C-N 3.31Å
17	C	92.4	Very high	92.1	Very high	71 Å²	71	92.6 Å²	92.6	48%	0.48	50%	0.502	S	S	.	.			trans	-78.6	-12.6	177.9	77.9	0	0	0	0	114.4	P14 P15	P14-C17 HydrophobicContact CB-CB 4.2Å; P14-C17 WeakPolarHBondContact O-CB 3.42Å; P14-C17 PolarHBondContact O-N 2.99Å; P14-C17 PolarHBondContact O-SG 3.36Å; P15-C17 VanDerWaalsContact C-N 3.29Å; P15-C17 PolarHBondContact O-N 3.09Å
18	M	91	Very high	92.1	Very high	76 Å²	76	94.1 Å²	94.1	37%	0.374	51%	0.509	S	S	.	.			trans	-114.3	119.2	178.3	-68.1	-175	-66.2	0	0	110.4	I10 M13 G16	I10-M18 HydrophobicContact CB-CE 4.49Å; I10-M18 HydrophobicContact CD1-CE 3.54Å; I10-M18 HydrophobicContact CD1-SD 3.58Å; I10-M18 VanDerWaalsContact CD1-SD 3.58Å; I10-M18 HydrophobicContact CG2-CE 4.02Å; M13-M18 HydrophobicContact CB-CE 3.73Å; M13-M18 HydrophobicContact CB-SD 4.39Å; M13-M18 HydrophobicContact CG-CE 3.92Å; M13-M18 HydrophobicContact CG-SD 4.04Å; G16-M18 VanDerWaalsContact C-N 3.31Å
19	D	92.6	Very high	92.2	Very high	146 Å²	146	94.5 Å²	94.5	78%	0.781	50%	0.501	S	S	*	.	S	Bend	trans	-77.8	-38	173.3	-178.9	58.8	0	0	0	111.7
20	K	91.1	Very high	92.3	Very high	181 Å²	181	96.4 Å²	96.4	79%	0.787	51%	0.508	S	S	*	.			trans	-143.3	144.6	-176.9	-65.7	178.4	-172.1	173.5	0	111.2
21	F	90	Very high	92.4	Very high	121 Å²	121	98.5 Å²	98.5	53%	0.531	52%	0.519	S	S	.	.			trans	-139.4	138.4	173.1	171	-105.6	0	0	0	108.7	I10 D23	I10-F21 HydrophobicContact CD1-CD2 3.5Å; I10-F21 VanDerWaalsContact CD1-CD2 3.5Å; I10-F21 HydrophobicContact CD1-CE2 3.59Å; I10-F21 HydrophobicContact CD1-CG 4.1Å; I10-F21 HydrophobicContact CD1-CZ 4.25Å; I10-F21 HydrophobicContact CG1-CD2 4.23Å; I10-F21 HydrophobicContact CG1-CE2 3.89Å; I10-F21 HydrophobicContact CG1-CZ 4.09Å; F21-D23 HydrophobicContact CE1-CB 4.18Å; F21-D23 HydrophobicContact CZ-CB 3.94Å
22	E	91.3	Very high	92.5	Very high	110 Å²	110	100.4 Å²	100.4	51%	0.514	52%	0.521	S	S	.	.			trans	-139.4	130.2	172.9	-173.1	-176.4	-168.2	0	0	107.2	I24 K69	E22-I24 HydrophobicContact CG-CD1 4.33Å; E22-I24 HydrophobicContact CG-CG1 3.89Å; E22-K69 IonicContact OE1-NZ 2.83Å; E22-K69 PolarHBondContact OE1-NZ 3Å; E22-K69 IonicContact OE2-NZ 2.72Å
23	D	91.5	Very high	92.7	Very high	79 Å²	79	98.1 Å²	98.1	42%	0.422	51%	0.506	S	S	.	.			trans	-103.5	123	168.4	58.2	-23.5	0	0	0	109.9	F21 Y25	F21-D23 HydrophobicContact CE1-CB 4.18Å; F21-D23 HydrophobicContact CZ-CB 3.94Å; D23-Y25 HydrophobicContact CB-CE2 4.05Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.48Å; D23-Y25 VanDerWaalsContact OD2-CZ 3.26Å; D23-Y25 PolarHBondContact OD2-OH 3.28Å
24	I	93.9	Very high	93	Very high	50 Å²	50	95.4 Å²	95.4	26%	0.256	49%	0.493	S	S	.	.			trans	-117.9	114.6	179.3	-56.8	171.9	0	0	0	108.3	E22 K69 Y132 L142	E22-I24 HydrophobicContact CG-CD1 4.33Å; E22-I24 HydrophobicContact CG-CG1 3.89Å; I24-K69 HydrophobicContact CD1-CD 3.9Å; I24-Y132 HydrophobicContact CG2-CD2 3.47Å; I24-Y132 VanDerWaalsContact CG2-CD2 3.47Å; I24-Y132 HydrophobicContact CG2-CE2 4.42Å; I24-Y132 HydrophobicContact CG2-CG 3.67Å; I24-L142 HydrophobicContact CB-CD2 4.05Å; I24-L142 HydrophobicContact CD1-CD1 3.97Å; I24-L142 HydrophobicContact CG2-CD2 3.91Å
25	Y	93.6	Very high	93.3	Very high	124 Å²	124	93.3 Å²	93.3	49%	0.486	48%	0.478	S	S	.	.			trans	-89.5	111.9	177.6	-59.1	-82	0	0	0	110.1	F3 D23	F3-Y25 HydrophobicContact CD2-CE1 4.32Å; F3-Y25 WeakPolarHBondContact CD2-OH 3.34Å; F3-Y25 WeakPolarHBondContact CE2-OH 3.2Å; D23-Y25 HydrophobicContact CB-CE2 4.05Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.48Å; D23-Y25 VanDerWaalsContact OD2-CZ 3.26Å; D23-Y25 PolarHBondContact OD2-OH 3.28Å
26	G	95.1	Very high	93.7	Very high	36 Å²	36	86.8 Å²	86.8	37%	0.371	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-91.7	165	169.5	0	0	0	0	0	112.7	P131	G26-P131 WeakPolarHBondContact CA-O 3.49Å
27	W	95.4	Very high	93.9	Very high	93 Å²	93	86.3 Å²	86.3	35%	0.352	41%	0.411	S	S	.	.			trans	-141.3	159.5	176.7	64.8	94.9	0	0	0	112	Y29 L35 Q130 P131 Y132	W27-Y29 AromaticContact NE1-CD2 3.69Å; W27-Y29 PolarHBondContact O-N 2.9Å; W27-L35 HydrophobicContact CZ2-CD1 4.3Å; W27-L35 HydrophobicContact CZ2-CD2 4.06Å; W27-Q130 PolarHBondContact O-OE1 2.94Å; W27-P131 HydrophobicContact CD2-CB 4.09Å; W27-P131 HydrophobicContact CH2-CB 4.45Å; W27-P131 HydrophobicContact CZ2-CB 3.85Å; W27-P131 PolarHBondContact N-O 2.61Å; W27-P131 VanDerWaalsContact O-CD 3.32Å; W27-P131 WeakPolarHBondContact O-CD 3.32Å; W27-Y132 VanDerWaalsContact CZ3-C 3.44Å
28	I	95	Very high	94.2	Very high	114 Å²	114	83.3 Å²	83.3	59%	0.585	39%	0.39	S	S	*	.			trans	-77.8	119.4	167.1	-59.6	174.8	0	0	0	107.6	R32	I28-R32 HydrophobicContact CG2-CG 4.26Å
29	Y	95.7	Very high	94.5	Very high	69 Å²	69	81.4 Å²	81.4	27%	0.271	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-102.7	126.9	179	-176.8	-119.6	0	0	0	110.5	W27 D31 R32 R33 D34 L35	W27-Y29 AromaticContact NE1-CD2 3.69Å; W27-Y29 PolarHBondContact O-N 2.9Å; Y29-D31 PolarHBondContact O-N 3.06Å; Y29-R32 PolarHBondContact O-N 3.06Å; Y29-R32 VanDerWaalsContact O-N 3.12Å; Y29-R33 WeakPolarHBondContact CB-O 3.34Å; Y29-R33 HydrophobicContact CD1-CB 4.21Å; Y29-R33 PolarHBondContact O-N 3Å; Y29-D34 WeakPolarHBondContact CD1-O 3.43Å; Y29-L35 HydrophobicContact CD1-CD2 3.89Å; Y29-L35 HydrophobicContact CD2-CD2 4.25Å; Y29-L35 HydrophobicContact CE1-CD2 3.87Å; Y29-L35 HydrophobicContact CE2-CD2 4.25Å; Y29-L35 HydrophobicContact CG-CD2 4.07Å
30	H	94.7	Very high	94.5	Very high	126 Å²	126	76 Å²	76	58%	0.583	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	-134.2	-174.9	-60.5	-54.3	0	0	0	112.5	R32	H30-R32 PolarHBondContact O-N 3.02Å; H30-R32 VanDerWaalsContact O-N 3.1Å
31	D	93.1	Very high	94.5	Very high	93 Å²	93	68 Å²	68	50%	0.497	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	45.5	175.3	57.9	-41.6	0	0	0	112.9	Y29 R33	Y29-D31 PolarHBondContact O-N 3.06Å; D31-R33 WeakPolarHBondContact OD1-CD 3.14Å; D31-R33 IonicContact OD1-CZ 3.34Å; D31-R33 IonicContact OD1-NE 3.27Å; D31-R33 PolarHBondContact OD1-NE 3.4Å; D31-R33 IonicContact OD1-NH2 3.79Å; D31-R33 IonicContact OD2-CZ 2.72Å; D31-R33 IonicContact OD2-NE 3.7Å; D31-R33 PolarHBondContact OD2-NE 3.28Å; D31-R33 IonicContact OD2-NH2 2.75Å; D31-R33 PolarHBondContact OD2-NH2 2.99Å
32	R	92.9	Very high	94.6	Very high	181 Å²	181	64 Å²	64	68%	0.683	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	42.1	-176.5	-50.6	177.4	174.5	-130.7	-1.4	113.7	I28 Y29 H30 D40	I28-R32 HydrophobicContact CG2-CG 4.26Å; Y29-R32 PolarHBondContact O-N 3.06Å; Y29-R32 VanDerWaalsContact O-N 3.12Å; H30-R32 PolarHBondContact O-N 3.02Å; H30-R32 VanDerWaalsContact O-N 3.1Å; R32-D40 PolarHBondContact O-N 3.18Å
33	R	96.7	Very high	94.7	Very high	33 Å²	33	63.1 Å²	63.1	13%	0.125	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-88.6	156.6	173.2	-66.7	175.2	-174.6	-82.6	-12.3	111.2	Y29 D31 E37 F38 V39 I93 K94	Y29-R33 WeakPolarHBondContact CB-O 3.34Å; Y29-R33 HydrophobicContact CD1-CB 4.21Å; Y29-R33 PolarHBondContact O-N 3Å; D31-R33 WeakPolarHBondContact OD1-CD 3.14Å; D31-R33 IonicContact OD1-CZ 3.34Å; D31-R33 IonicContact OD1-NE 3.27Å; D31-R33 PolarHBondContact OD1-NE 3.4Å; D31-R33 IonicContact OD1-NH2 3.79Å; D31-R33 IonicContact OD2-CZ 2.72Å; D31-R33 IonicContact OD2-NE 3.7Å; D31-R33 PolarHBondContact OD2-NE 3.28Å; D31-R33 IonicContact OD2-NH2 2.75Å; D31-R33 PolarHBondContact OD2-NH2 2.99Å; R33-E37 VanDerWaalsContact CD-O 3.22Å; R33-E37 WeakPolarHBondContact CD-O 3.35Å; R33-E37 PolarHBondContact NH1-O 3.15Å; R33-F38 CarbonylContact C-O 3.1Å; R33-F38 WeakPolarHBondContact CA-O 3.41Å; R33-V39 HydrophobicContact CG-CG2 4.12Å; R33-I93 PolarHBondContact NH1-O 3.32Å; R33-K94 PolarHBondContact NH2-O 3.45Å
34	D	96.1	Very high	94.8	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.091	29%	0.291	C	S	.	.			trans	-84	179.2	159.5	67.9	31.9	0	0	0	111.1	Y29 S36 E37 F38 L141	Y29-D34 WeakPolarHBondContact CD1-O 3.43Å; D34-S36 VanDerWaalsContact CG-OG 3.27Å; D34-S36 PolarHBondContact O-N 3.09Å; D34-S36 WeakPolarHBondContact OD1-CA 3.36Å; D34-S36 VanDerWaalsContact OD1-CB 3.3Å; D34-S36 WeakPolarHBondContact OD1-CB 3.46Å; D34-S36 PolarHBondContact OD1-N 3.2Å; D34-S36 PolarHBondContact OD1-OG 3.37Å; D34-S36 PolarHBondContact OD2-OG 2.83Å; D34-E37 PolarHBondContact O-N 3.33Å; D34-E37 PolarHBondContact OD1-N 3Å; D34-F38 PolarHBondContact N-O 3.07Å; D34-F38 PolarHBondContact OD1-N 3Å; D34-L141 HydrophobicContact CB-CD1 3.88Å
35	L	97.1	Very high	94.8	Very high	18 Å²	18	59.7 Å²	59.7	9%	0.094	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-5.5	179.4	-62.7	-176.9	0	0	0	114	W27 Y29 E37 M74 P131 A139	W27-L35 HydrophobicContact CZ2-CD1 4.3Å; W27-L35 HydrophobicContact CZ2-CD2 4.06Å; Y29-L35 HydrophobicContact CD1-CD2 3.89Å; Y29-L35 HydrophobicContact CD2-CD2 4.25Å; Y29-L35 HydrophobicContact CE1-CD2 3.87Å; Y29-L35 HydrophobicContact CE2-CD2 4.25Å; Y29-L35 HydrophobicContact CG-CD2 4.07Å; L35-E37 VanDerWaalsContact C-N 3.27Å; L35-M74 HydrophobicContact CB-CE 4.26Å; L35-M74 HydrophobicContact CB-SD 4.38Å; L35-P131 HydrophobicContact CD2-CB 4.18Å; L35-P131 HydrophobicContact CG-CB 4.02Å; L35-A139 HydrophobicContact CD1-CB 3.73Å
36	S	96.8	Very high	94.8	Very high	1 Å²	1	61 Å²	61	1%	0.007	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.7	166.6	75	0	0	0	0	113.1	D34 F38	D34-S36 VanDerWaalsContact CG-OG 3.27Å; D34-S36 PolarHBondContact O-N 3.09Å; D34-S36 WeakPolarHBondContact OD1-CA 3.36Å; D34-S36 VanDerWaalsContact OD1-CB 3.3Å; D34-S36 WeakPolarHBondContact OD1-CB 3.46Å; D34-S36 PolarHBondContact OD1-N 3.2Å; D34-S36 PolarHBondContact OD1-OG 3.37Å; D34-S36 PolarHBondContact OD2-OG 2.83Å; S36-F38 VanDerWaalsContact C-N 3.27Å; S36-F38 VanDerWaalsContact O-CD2 3.24Å; S36-F38 WeakPolarHBondContact O-CD2 3.3Å; S36-F38 PolarHBondContact O-N 3.11Å; S36-F38 WeakPolarHBondContact OG-CD2 3.46Å
37	E	96.9	Very high	94.9	Very high	74 Å²	74	66.8 Å²	66.8	35%	0.346	31%	0.307	S	S	.	.	S	Bend	trans	75	2.1	178.7	-48.2	173	138.1	0	0	114.7	R33 D34 L35 K85 I93	R33-E37 VanDerWaalsContact CD-O 3.22Å; R33-E37 WeakPolarHBondContact CD-O 3.35Å; R33-E37 PolarHBondContact NH1-O 3.15Å; D34-E37 PolarHBondContact O-N 3.33Å; D34-E37 PolarHBondContact OD1-N 3Å; L35-E37 VanDerWaalsContact C-N 3.27Å; E37-K85 IonicContact OE2-NZ 3.65Å; E37-K85 PolarHBondContact OE2-NZ 2.87Å; E37-I93 HydrophobicContact CB-CG2 4.2Å
38	F	97.8	Very high	94.8	Very high	7 Å²	7	69 Å²	69	3%	0.031	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-85.3	140.9	177.7	-70.8	-93.2	0	0	0	110.9	R33 D34 S36 D40 K85 E86 I89 R91 I93	R33-F38 CarbonylContact C-O 3.1Å; R33-F38 WeakPolarHBondContact CA-O 3.41Å; D34-F38 PolarHBondContact N-O 3.07Å; D34-F38 PolarHBondContact OD1-N 3Å; S36-F38 VanDerWaalsContact C-N 3.27Å; S36-F38 VanDerWaalsContact O-CD2 3.24Å; S36-F38 WeakPolarHBondContact O-CD2 3.3Å; S36-F38 PolarHBondContact O-N 3.11Å; S36-F38 WeakPolarHBondContact OG-CD2 3.46Å; F38-D40 PolarHBondContact O-N 3.25Å; F38-K85 HydrophobicContact CE2-CB 3.93Å; F38-K85 HydrophobicContact CZ-CB 3.9Å; F38-E86 HydrophobicContact CE1-CG 4.26Å; F38-E86 HydrophobicContact CZ-CG 4.3Å; F38-I89 HydrophobicContact CD1-CB 4.01Å; F38-I89 HydrophobicContact CD1-CG1 4.03Å; F38-I89 HydrophobicContact CD1-CG2 3.79Å; F38-I89 HydrophobicContact CD2-CG1 3.64Å; F38-I89 HydrophobicContact CE1-CB 3.8Å; F38-I89 HydrophobicContact CE1-CG1 3.89Å; F38-I89 HydrophobicContact CE1-CG2 4.06Å; F38-I89 HydrophobicContact CE2-CB 4.32Å; F38-I89 HydrophobicContact CE2-CG1 3.48Å; F38-I89 VanDerWaalsContact CE2-CG1 3.48Å; F38-I89 HydrophobicContact CG-CB 4.35Å; F38-I89 HydrophobicContact CG-CG1 3.9Å; F38-I89 HydrophobicContact CG-CG2 4.14Å; F38-I89 HydrophobicContact CZ-CB 3.95Å; F38-I89 HydrophobicContact CZ-CG1 3.61Å; F38-R91 WeakPolarHBondContact CE1-O 3.29Å; F38-I93 HydrophobicContact CD1-CG1 4.13Å; F38-I93 HydrophobicContact CD2-CG1 4.43Å; F38-I93 HydrophobicContact CE1-CB 4.37Å; F38-I93 HydrophobicContact CE1-CG1 3.42Å; F38-I93 VanDerWaalsContact CE1-CG1 3.42Å; F38-I93 HydrophobicContact CE2-CD1 4.23Å; F38-I93 HydrophobicContact CE2-CG1 3.8Å; F38-I93 HydrophobicContact CZ-CD1 3.89Å; F38-I93 HydrophobicContact CZ-CG1 3.24Å
39	V	96.6	Very high	94.9	Very high	36 Å²	36	68.7 Å²	68.7	22%	0.218	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-62.5	122.9	170.4	179.6	0	0	0	0	108.8	R33 T42	R33-V39 HydrophobicContact CG-CG2 4.12Å; V39-T42 WeakPolarHBondContact CG1-OG1 3.29Å; V39-T42 PolarHBondContact O-OG1 3.38Å
40	D	93.2	Very high	95	Very high	33 Å²	33	68.5 Å²	68.5	18%	0.176	33%	0.326	C	S	.	.	S	Bend	trans	-100.5	134.8	177.5	-160.5	-4.4	0	0	0	111.3	R32 F38 R127	R32-D40 PolarHBondContact O-N 3.18Å; F38-D40 PolarHBondContact O-N 3.25Å; D40-R127 IonicContact OD1-CZ 2.72Å; D40-R127 IonicContact OD1-NH1 3.66Å; D40-R127 PolarHBondContact OD1-NH1 3.46Å; D40-R127 IonicContact OD1-NH2 3.29Å; D40-R127 PolarHBondContact OD1-NH2 2.74Å; D40-R127 IonicContact OD2-NH1 3.7Å; D40-R127 PolarHBondContact OD2-NH1 3.2Å
41	G	91.7	Very high	95.1	Very high	13 Å²	13	65.3 Å²	65.3	13%	0.134	31%	0.309	C	S	.	.	S	Bend	trans	90.5	11.9	-179.2	0	0	0	0	0	114.7	E43 N44 K46	G41-E43 PolarHBondContact O-N 3.48Å; G41-N44 PolarHBondContact O-N 3.09Å; G41-K46 PolarHBondContact O-NZ 3.21Å; G41-K46 VanDerWaalsContact O-NZ 3.16Å
42	T	91.8	Very high	95.3	Very high	38 Å²	38	62.6 Å²	62.6	23%	0.233	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-46.2	175.8	-54.5	0	0	0	0	111.6	V39 K46 R91 S96	V39-T42 WeakPolarHBondContact CG1-OG1 3.29Å; V39-T42 PolarHBondContact O-OG1 3.38Å; T42-K46 WeakPolarHBondContact O-CE 3.47Å; T42-K46 PolarHBondContact O-NZ 3.49Å; T42-R91 VanDerWaalsContact CG2-NH2 3.33Å; T42-S96 PolarHBondContact OG1-OG 2.85Å
43	E	92.9	Very high	95.5	Very high	90 Å²	90	59 Å²	59	42%	0.421	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	5.4	-173.3	-70.9	-57.1	134.6	0	0	115.1	G41 R91 K121	G41-E43 PolarHBondContact O-N 3.48Å; E43-R91 IonicContact OE1-CZ 3.98Å; E43-R91 IonicContact OE1-NH1 2.65Å; E43-R91 PolarHBondContact OE1-NH1 3.36Å; E43-R91 IonicContact OE1-NH2 3.55Å; E43-R91 PolarHBondContact OE1-NH2 2.75Å; E43-K121 IonicContact OE2-NZ 3.67Å; E43-K121 PolarHBondContact OE2-NZ 2.85Å
44	N	94	Very high	95.6	Very high	27 Å²	27	57.7 Å²	57.7	14%	0.144	29%	0.286	C	S	.	.	S	Bend	trans	-68.7	145.9	172.1	-81.4	-25.6	0	0	0	110.7	G41 K46 R127	G41-N44 PolarHBondContact O-N 3.09Å; N44-K46 PolarHBondContact O-N 3.39Å; N44-R127 PolarHBondContact ND2-O 3.31Å; N44-R127 PolarHBondContact OD1-N 3.21Å
45	P	94.7	Very high	95.7	Very high	31 Å²	31	57.5 Å²	57.5	20%	0.201	29%	0.287	C	S	.	.			trans	-55.8	136.9	166.5	-15.6	26.9	0	0	0	110.5	D50 R51 V54 V126	P45-D50 HydrophobicContact CB-CB 3.56Å; P45-R51 HydrophobicContact CB-CG 3.85Å; P45-R51 HydrophobicContact CG-CG 4.41Å; P45-R51 WeakPolarHBondContact O-CD 3.33Å; P45-R51 WeakPolarHBondContact O-CG 3.43Å; P45-V54 HydrophobicContact CG-CB 4.48Å; P45-V54 HydrophobicContact CG-CG2 3.91Å; P45-V126 HydrophobicContact CG-CG2 4.43Å
46	K	93.2	Very high	95.7	Very high	150 Å²	150	60.1 Å²	60.1	65%	0.652	30%	0.3	S	S	*	.			trans	-89.4	-40.1	-171.7	-57.9	-58.3	178	-169	0	112.7	G41 T42 N44	G41-K46 PolarHBondContact O-NZ 3.21Å; G41-K46 VanDerWaalsContact O-NZ 3.16Å; T42-K46 WeakPolarHBondContact O-CE 3.47Å; T42-K46 PolarHBondContact O-NZ 3.49Å; N44-K46 PolarHBondContact O-N 3.39Å
47	R	96.1	Very high	95.7	Very high	159 Å²	159	61 Å²	61	60%	0.6	31%	0.305	S	S	*	.	S	Bend	trans	-80.5	148.8	-179.9	-57.3	172.4	57.6	96.6	4.4	110.3	D49 D50 R51	R47-D49 VanDerWaalsContact C-N 3.29Å; R47-D49 IonicContact NH2-OD2 3.81Å; R47-D49 PolarHBondContact O-N 2.8Å; R47-D50 HydrophobicContact CB-CB 4.47Å; R47-D50 WeakPolarHBondContact CB-OD2 3.32Å; R47-D50 PolarHBondContact O-N 2.8Å; R47-R51 WeakPolarHBondContact O-CG 3.03Å; R47-R51 PolarHBondContact O-N 3.15Å; R47-R51 VanDerWaalsContact O-N 3.08Å
48	M	94.7	Very high	95.7	Very high	138 Å²	138	66.5 Å²	66.5	68%	0.68	33%	0.328	S	S	*	.	H	α-helix	trans	-60	-41.4	179.3	-164.9	65.1	76.1	0	0	111.7	D50 R51 A52	M48-D50 PolarHBondContact O-N 3.27Å; M48-R51 WeakPolarHBondContact O-CB 3.29Å; M48-R51 PolarHBondContact O-N 2.83Å; M48-A52 WeakPolarHBondContact O-CB 3.47Å; M48-A52 PolarHBondContact O-N 3.12Å
49	D	97	Very high	95.5	Very high	109 Å²	109	76.3 Å²	76.3	58%	0.583	36%	0.364	S	S	*	.	H	α-helix	trans	-62.1	-44.5	179.2	-53.4	-32.1	0	0	0	111.9	R47 R51 A52 E53	R47-D49 VanDerWaalsContact C-N 3.29Å; R47-D49 IonicContact NH2-OD2 3.81Å; R47-D49 PolarHBondContact O-N 2.8Å; D49-R51 VanDerWaalsContact C-N 3.29Å; D49-R51 PolarHBondContact O-N 3.46Å; D49-A52 WeakPolarHBondContact O-CB 3.46Å; D49-A52 PolarHBondContact O-N 2.8Å; D49-E53 PolarHBondContact O-N 3.23Å
50	D	97.1	Very high	95.5	Very high	64 Å²	64	76.7 Å²	76.7	34%	0.342	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-36.2	177.7	-51.5	-24.2	0	0	0	111.3	P45 R47 M48 V54	P45-D50 HydrophobicContact CB-CB 3.56Å; R47-D50 HydrophobicContact CB-CB 4.47Å; R47-D50 WeakPolarHBondContact CB-OD2 3.32Å; R47-D50 PolarHBondContact O-N 2.8Å; M48-D50 PolarHBondContact O-N 3.27Å; D50-V54 WeakPolarHBondContact O-CG2 3.46Å; D50-V54 PolarHBondContact O-N 3.37Å
51	R	97.6	Very high	95.6	Very high	59 Å²	59	77 Å²	77	22%	0.223	38%	0.378	C	S	.	.	H	α-helix	trans	-67.2	-42.9	175.3	-68	178.6	71.1	-169.8	-5	110.7	P45 R47 M48 D49 V54 A55 V126	P45-R51 HydrophobicContact CB-CG 3.85Å; P45-R51 HydrophobicContact CG-CG 4.41Å; P45-R51 WeakPolarHBondContact O-CD 3.33Å; P45-R51 WeakPolarHBondContact O-CG 3.43Å; R47-R51 WeakPolarHBondContact O-CG 3.03Å; R47-R51 PolarHBondContact O-N 3.15Å; R47-R51 VanDerWaalsContact O-N 3.08Å; M48-R51 WeakPolarHBondContact O-CB 3.29Å; M48-R51 PolarHBondContact O-N 2.83Å; D49-R51 VanDerWaalsContact C-N 3.29Å; D49-R51 PolarHBondContact O-N 3.46Å; R51-V54 PolarHBondContact O-N 2.63Å; R51-A55 VanDerWaalsContact O-CB 3.23Å; R51-A55 WeakPolarHBondContact O-CB 3.47Å; R51-A55 PolarHBondContact O-N 3.1Å; R51-V126 HydrophobicContact CB-CG1 4.48Å; R51-V126 HydrophobicContact CB-CG2 4.03Å; R51-V126 HydrophobicContact CG-CG1 4.35Å; R51-V126 HydrophobicContact CG-CG2 4.28Å; R51-V126 VanDerWaalsContact NE-CG1 3.28Å; R51-V126 VanDerWaalsContact NH2-CG1 3.29Å
52	A	97.1	Very high	95.9	Very high	37 Å²	37	76.6 Å²	76.6	31%	0.306	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-42.4	176.1	0	0	0	0	0	111.4	M48 D49 V54 A55 I56	M48-A52 WeakPolarHBondContact O-CB 3.47Å; M48-A52 PolarHBondContact O-N 3.12Å; D49-A52 WeakPolarHBondContact O-CB 3.46Å; D49-A52 PolarHBondContact O-N 2.8Å; A52-V54 VanDerWaalsContact C-N 3.26Å; A52-V54 PolarHBondContact O-N 2.85Å; A52-A55 PolarHBondContact O-N 2.85Å; A52-I56 HydrophobicContact CB-CD1 3.88Å; A52-I56 HydrophobicContact CB-CG1 4.45Å; A52-I56 VanDerWaalsContact O-CB 3.3Å; A52-I56 WeakPolarHBondContact O-CB 3.02Å; A52-I56 WeakPolarHBondContact O-CG1 3.37Å; A52-I56 PolarHBondContact O-N 2.8Å
53	E	97.2	Very high	96.2	Very high	105 Å²	105	75.3 Å²	75.3	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-58.7	-37.6	176.1	-167.9	-158.1	126.2	0	0	112.4	D49 R124	D49-E53 PolarHBondContact O-N 3.23Å; E53-R124 IonicContact OE1-CZ 2.91Å; E53-R124 IonicContact OE1-NH1 3.77Å; E53-R124 IonicContact OE1-NH2 3.51Å; E53-R124 PolarHBondContact OE1-NH2 3.16Å
54	V	97.7	Very high	96.5	Very high	6 Å²	6	73.8 Å²	73.8	4%	0.036	36%	0.357	C	S	.	.	H	α-helix	trans	-78.6	-39.5	178.6	172.5	0	0	0	0	112.3	P45 D50 R51 A52 R124 V126 A148	P45-V54 HydrophobicContact CG-CB 4.48Å; P45-V54 HydrophobicContact CG-CG2 3.91Å; D50-V54 WeakPolarHBondContact O-CG2 3.46Å; D50-V54 PolarHBondContact O-N 3.37Å; R51-V54 PolarHBondContact O-N 2.63Å; A52-V54 VanDerWaalsContact C-N 3.26Å; A52-V54 PolarHBondContact O-N 2.85Å; V54-R124 HydrophobicContact CG1-CB 3.65Å; V54-R124 HydrophobicContact CG2-CB 4.1Å; V54-V126 HydrophobicContact CB-CG2 3.96Å; V54-V126 HydrophobicContact CG1-CG2 3.86Å; V54-A148 WeakPolarHBondContact O-CB 3.17Å; V54-A148 PolarHBondContact O-N 3Å
55	A	98	Very high	96.7	Very high	12 Å²	12	72.5 Å²	72.5	10%	0.099	35%	0.35	C	S	.	.	H	α-helix	trans	-93	-25.5	-168.5	0	0	0	0	0	114.5	R51 A52 S63 V126 A147 A148	R51-A55 VanDerWaalsContact O-CB 3.23Å; R51-A55 WeakPolarHBondContact O-CB 3.47Å; R51-A55 PolarHBondContact O-N 3.1Å; A52-A55 PolarHBondContact O-N 2.85Å; A55-S63 VanDerWaalsContact O-CB 3.27Å; A55-S63 WeakPolarHBondContact O-CB 3.25Å; A55-S63 PolarHBondContact O-OG 2.84Å; A55-V126 HydrophobicContact CB-CB 4.45Å; A55-V126 HydrophobicContact CB-CG2 4.12Å; A55-A147 CarbonylContact O-C 3.58Å; A55-A148 WeakPolarHBondContact O-CA 3.45Å; A55-A148 PolarHBondContact O-N 3.04Å
56	I	97.9	Very high	96.9	Very high	73 Å²	73	71.2 Å²	71.2	37%	0.374	34%	0.341	S	S	.	.	S	Bend	trans	-100.7	127.8	-170.7	-58.8	-179.2	0	0	0	111	A52 K58 G62 A148	A52-I56 HydrophobicContact CB-CD1 3.88Å; A52-I56 HydrophobicContact CB-CG1 4.45Å; A52-I56 VanDerWaalsContact O-CB 3.3Å; A52-I56 WeakPolarHBondContact O-CB 3.02Å; A52-I56 WeakPolarHBondContact O-CG1 3.37Å; A52-I56 PolarHBondContact O-N 2.8Å; I56-K58 PolarHBondContact O-N 3.35Å; I56-G62 WeakPolarHBondContact CA-O 3.36Å; I56-A148 WeakPolarHBondContact O-CB 3.35Å
57	N	97.5	Very high	97	Very high	20 Å²	20	65.6 Å²	65.6	11%	0.107	32%	0.32	C	S	.	.			trans	-68.8	117.5	171.9	-171.6	-73	0	0	0	110	R59 T60 G61 G62 A148	N57-R59 PolarHBondContact O-N 2.82Å; N57-R59 VanDerWaalsContact O-N 3.13Å; N57-R59 WeakPolarHBondContact OD1-CB 3.19Å; N57-R59 PolarHBondContact OD1-N 2.87Å; N57-T60 PolarHBondContact O-N 2.86Å; N57-T60 PolarHBondContact OD1-N 2.93Å; N57-G61 WeakPolarHBondContact O-CA 3.29Å; N57-G61 PolarHBondContact O-N 2.95Å; N57-G62 PolarHBondContact N-O 3.34Å; N57-A148 WeakPolarHBondContact CB-O 3.2Å; N57-A148 PolarHBondContact ND2-O 2.8Å
58	K	95.5	Very high	97.1	Very high	190 Å²	190	59 Å²	59	83%	0.826	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.8	-176.3	-65.1	-174.7	-179.6	-178.6	0	114.4	I56	I56-K58 PolarHBondContact O-N 3.35Å
59	R	94.8	Very high	97.3	Very high	212 Å²	212	54.4 Å²	54.4	80%	0.8	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-42.4	-179.3	-178.9	-178.9	63.1	-173.8	-2.6	111.9	N57	N57-R59 PolarHBondContact O-N 2.82Å; N57-R59 VanDerWaalsContact O-N 3.13Å; N57-R59 WeakPolarHBondContact OD1-CB 3.19Å; N57-R59 PolarHBondContact OD1-N 2.87Å
60	T	95.3	Very high	97.3	Very high	45 Å²	45	50 Å²	50	28%	0.276	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-18.8	-173.3	66.4	0	0	0	0	113.6	N57 G62 Y185	N57-T60 PolarHBondContact O-N 2.86Å; N57-T60 PolarHBondContact OD1-N 2.93Å; T60-G62 PolarHBondContact O-N 3.45Å; T60-G62 PolarHBondContact OG1-N 3.06Å; T60-G62 VanDerWaalsContact OG1-N 3.15Å; T60-Y185 WeakPolarHBondContact CB-OH 3.33Å; T60-Y185 PolarHBondContact OG1-OH 3Å
61	G	96.6	Very high	97.4	Very high	40 Å²	40	49 Å²	49	41%	0.412	24%	0.243	S	C	.	.	S	Bend	trans	70.3	2.8	-168.8	0	0	0	0	0	113.7	N57 G188	N57-G61 WeakPolarHBondContact O-CA 3.29Å; N57-G61 PolarHBondContact O-N 2.95Å; G61-G188 VanDerWaalsContact O-CA 3.3Å; G61-G188 WeakPolarHBondContact O-CA 3.5Å
62	G	97.6	Very high	97.4	Very high	3 Å²	3	47 Å²	47	3%	0.031	24%	0.236	C	C	.	.			trans	-89.4	-176.5	176.8	0	0	0	0	0	113.1	I56 N57 T60 F186	I56-G62 WeakPolarHBondContact CA-O 3.36Å; N57-G62 PolarHBondContact N-O 3.34Å; T60-G62 PolarHBondContact O-N 3.45Å; T60-G62 PolarHBondContact OG1-N 3.06Å; T60-G62 VanDerWaalsContact OG1-N 3.15Å; G62-F186 CarbonylContact C-O 3.57Å; G62-F186 WeakPolarHBondContact CA-O 3.09Å
63	S	98.4	Very high	97.4	Very high	12 Å²	12	49.2 Å²	49.2	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	139.3	178.7	-170.4	0	0	0	0	110.7	A55 F186	A55-S63 VanDerWaalsContact O-CB 3.27Å; A55-S63 WeakPolarHBondContact O-CB 3.25Å; A55-S63 PolarHBondContact O-OG 2.84Å; S63-F186 PolarHBondContact N-O 3.1Å; S63-F186 PolarHBondContact O-N 2.8Å
64	Y	98.5	Very high	97.4	Very high	58 Å²	58	46.2 Å²	46.2	23%	0.227	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	143.2	167.3	-62.6	-87.9	0	0	0	109	Y146 A147 I150 W184 Y185	Y64-Y146 CarbonylContact O-C 3.37Å; Y64-Y146 VanDerWaalsContact O-CA 3.29Å; Y64-Y146 WeakPolarHBondContact O-CA 3.1Å; Y64-A147 PolarHBondContact N-O 3.14Å; Y64-A147 PolarHBondContact O-N 2.83Å; Y64-I150 HydrophobicContact CD1-CB 4.29Å; Y64-I150 HydrophobicContact CG-CB 4.45Å; Y64-W184 WeakPolarHBondContact CA-O 3.34Å; Y64-Y185 AromaticContact CD1-CD2 3.95Å; Y64-Y185 HydrophobicContact CD1-CD2 3.95Å; Y64-Y185 HydrophobicContact CD2-CD2 4.49Å; Y64-Y185 AromaticContact CE1-CD2 3.81Å; Y64-Y185 HydrophobicContact CE1-CD2 3.81Å; Y64-Y185 HydrophobicContact CE1-CE2 4.49Å; Y64-Y185 HydrophobicContact CE2-CD2 4.37Å; Y64-Y185 HydrophobicContact CE2-CE2 4.41Å; Y64-Y185 HydrophobicContact CG-CD2 4.29Å
65	A	98.4	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.6	172.8	0	0	0	0	0	112.6	A145 Y146 Y183 W184 F186	A65-A145 CarbonylContact C-O 3.51Å; A65-A145 WeakPolarHBondContact CA-O 3.29Å; A65-A145 VanDerWaalsContact CB-O 3.29Å; A65-A145 WeakPolarHBondContact CB-O 3.38Å; A65-Y146 HydrophobicContact CB-CD1 3.87Å; A65-Y146 HydrophobicContact CB-CE1 4.06Å; A65-Y183 CarbonylContact O-C 3.6Å; A65-Y183 WeakPolarHBondContact O-CA 3.32Å; A65-W184 HydrophobicContact CB-CB 4.29Å; A65-W184 PolarHBondContact N-O 3.08Å; A65-W184 PolarHBondContact O-N 3.32Å; A65-F186 HydrophobicContact CB-CD2 3.89Å; A65-F186 HydrophobicContact CB-CE2 3.45Å; A65-F186 VanDerWaalsContact CB-CE2 3.45Å
66	V	98	Very high	97.3	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.3	169.2	168	0	0	0	0	107.8	Q68 F143 I144 A145 F153 N182 Y183	V66-Q68 HydrophobicContact CG1-CG 3.73Å; V66-F143 HydrophobicContact CB-CE1 4.35Å; V66-F143 HydrophobicContact CG1-CD1 4.29Å; V66-F143 HydrophobicContact CG1-CE1 4.09Å; V66-I144 WeakPolarHBondContact O-CA 3.39Å; V66-A145 PolarHBondContact N-O 3Å; V66-A145 PolarHBondContact O-N 3.1Å; V66-F153 HydrophobicContact CB-CD1 4.23Å; V66-F153 HydrophobicContact CB-CE1 4.21Å; V66-F153 HydrophobicContact CB-CG 4.43Å; V66-F153 HydrophobicContact CB-CZ 4.37Å; V66-F153 HydrophobicContact CG2-CB 4.03Å; V66-F153 HydrophobicContact CG2-CD1 3.84Å; V66-F153 HydrophobicContact CG2-CD2 3.63Å; V66-F153 HydrophobicContact CG2-CE1 4.16Å; V66-F153 HydrophobicContact CG2-CE2 3.95Å; V66-F153 HydrophobicContact CG2-CG 3.56Å; V66-F153 HydrophobicContact CG2-CZ 4.21Å; V66-N182 WeakPolarHBondContact CA-O 3.01Å; V66-Y183 HydrophobicContact CG2-CD1 3.39Å; V66-Y183 HydrophobicContact CG2-CE1 3.21Å; V66-Y183 HydrophobicContact CG2-CE2 4.45Å; V66-Y183 HydrophobicContact CG2-CG 4.11Å
67	V	97.1	Very high	97.3	Very high	33 Å²	33	47.8 Å²	47.8	20%	0.2	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.8	171.4	-177.4	0	0	0	0	108.2	L142 F143 I144 G181 N182	V67-L142 HydrophobicContact CG1-CD1 4.27Å; V67-F143 CarbonylContact C-O 3.4Å; V67-F143 VanDerWaalsContact CA-O 3.29Å; V67-F143 WeakPolarHBondContact CA-O 3.37Å; V67-I144 HydrophobicContact CG2-CB 4.38Å; V67-I144 HydrophobicContact CG2-CD1 3.96Å; V67-I144 HydrophobicContact CG2-CG1 3.97Å; V67-G181 CarbonylContact O-C 3.59Å; V67-G181 WeakPolarHBondContact O-CA 3.44Å; V67-N182 PolarHBondContact N-O 3.43Å; V67-N182 PolarHBondContact O-N 3.39Å
68	Q	98	Very high	97.2	Very high	21 Å²	21	54.5 Å²	54.5	10%	0.098	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.9	179.2	-70.8	173.1	-19.3	0	0	110.8	V66 W70 F143 T180	V66-Q68 HydrophobicContact CG1-CG 3.73Å; Q68-W70 VanDerWaalsContact CB-NE1 3.35Å; Q68-F143 HydrophobicContact CB-CB 4.23Å; Q68-F143 HydrophobicContact CB-CD1 4.37Å; Q68-F143 PolarHBondContact N-O 3.39Å; Q68-F143 PolarHBondContact O-N 3.35Å; Q68-T180 VanDerWaalsContact CA-O 3.25Å; Q68-T180 WeakPolarHBondContact CA-O 3.19Å
69	K	97.5	Very high	97.3	Very high	40 Å²	40	53.3 Å²	53.3	17%	0.174	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.1	174.1	-175.6	168.7	146.8	178.5	0	108.7	E22 I24 Y132 C178 V179 T180	E22-K69 IonicContact OE1-NZ 2.83Å; E22-K69 PolarHBondContact OE1-NZ 3Å; E22-K69 IonicContact OE2-NZ 2.72Å; I24-K69 HydrophobicContact CD1-CD 3.9Å; K69-Y132 HydrophobicContact CD-CE2 4.06Å; K69-Y132 HydrophobicContact CG-CE1 4.11Å; K69-Y132 HydrophobicContact CG-CE2 3.91Å; K69-Y132 VanDerWaalsContact CG-CZ 3.41Å; K69-Y132 WeakPolarHBondContact CG-OH 3.34Å; K69-C178 WeakPolarHBondContact O-CA 3.1Å; K69-V179 HydrophobicContact CB-CG2 3.87Å; K69-V179 HydrophobicContact CD-CG2 4Å; K69-V179 HydrophobicContact CG-CG2 3.62Å; K69-V179 WeakPolarHBondContact O-CG2 3.39Å; K69-V179 PolarHBondContact O-N 2.88Å; K69-T180 HydrophobicContact CB-CG2 4.41Å; K69-T180 WeakPolarHBondContact CB-OG1 3.42Å; K69-T180 PolarHBondContact N-O 3.26Å; K69-T180 PolarHBondContact N-OG1 2.87Å
70	W	98.3	Very high	97.5	Very high	18 Å²	18	43.7 Å²	43.7	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.1	179	-68	82.1	0	0	0	110.6	Q68 Y132 G140 L141 M160 M173 S176 R177 C178	Q68-W70 VanDerWaalsContact CB-NE1 3.35Å; W70-Y132 WeakPolarHBondContact O-CE1 3.33Å; W70-Y132 PolarHBondContact O-OH 2.79Å; W70-G140 WeakPolarHBondContact O-CA 3.3Å; W70-L141 HydrophobicContact CB-CB 4.38Å; W70-L141 WeakPolarHBondContact CB-O 3.05Å; W70-L141 PolarHBondContact N-O 3.17Å; W70-L141 PolarHBondContact O-N 3.27Å; W70-L141 VanDerWaalsContact O-N 3.09Å; W70-M160 HydrophobicContact CH2-CE 3.66Å; W70-M160 HydrophobicContact CZ2-CE 3.76Å; W70-M173 HydrophobicContact CH2-CG 4.41Å; W70-M173 HydrophobicContact CZ3-CG 4.19Å; W70-S176 VanDerWaalsContact CE3-OG 3.31Å; W70-R177 CarbonylContact C-O 3.54Å; W70-R177 VanDerWaalsContact CA-O 3.31Å; W70-R177 WeakPolarHBondContact CA-O 3.32Å; W70-R177 VanDerWaalsContact CE3-C 3.43Å; W70-C178 HydrophobicContact CD2-CB 3.85Å; W70-C178 HydrophobicContact CE3-CB 3.84Å; W70-C178 HydrophobicContact CH2-CB 3.72Å; W70-C178 HydrophobicContact CZ2-CB 3.69Å; W70-C178 HydrophobicContact CZ3-CB 3.79Å
71	V	98.2	Very high	97.7	Very high	43 Å²	43	44.7 Å²	44.7	26%	0.261	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.4	175.9	-178.7	0	0	0	0	108.3	Y132 S176 R177 V179	V71-Y132 WeakPolarHBondContact CG2-OH 3.36Å; V71-S176 WeakPolarHBondContact O-CA 3.46Å; V71-R177 PolarHBondContact N-O 3.3Å; V71-R177 PolarHBondContact O-N 3.27Å; V71-V179 HydrophobicContact CB-CG1 4.43Å; V71-V179 HydrophobicContact CG2-CG1 3.86Å; V71-V179 HydrophobicContact CG2-CG2 3.91Å
72	H	98.2	Very high	97.7	Very high	15 Å²	15	47 Å²	47	7%	0.069	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	146	-179.4	-59	-17.1	0	0	0	111.7	M74 L77 A139 G140 F175 S176	H72-M74 HydrophobicContact CB-SD 3.83Å; H72-M74 PolarHBondContact O-N 3.31Å; H72-L77 HydrophobicContact CB-CD1 3.98Å; H72-A139 PolarHBondContact N-O 2.98Å; H72-G140 VanDerWaalsContact CD2-CA 3.46Å; H72-G140 WeakPolarHBondContact CD2-CA 3.33Å; H72-F175 CarbonylContact C-O 3.59Å; H72-F175 VanDerWaalsContact CA-O 3.31Å; H72-F175 WeakPolarHBondContact CA-O 3.41Å; H72-S176 PolarHBondContact CE1-OG 3.3Å; H72-S176 VanDerWaalsContact CE1-OG 3.25Å; H72-S176 PolarHBondContact ND1-OG 2.89Å
73	N	97.6	Very high	97.7	Very high	84 Å²	84	48.3 Å²	48.3	45%	0.449	26%	0.257	S	S	.	.			trans	-81.2	86.2	165.4	-174.4	-15.4	0	0	0	109.1	S75 L76 L77 F175	N73-S75 VanDerWaalsContact C-N 3.25Å; N73-S75 PolarHBondContact O-N 3.16Å; N73-S75 PolarHBondContact OD1-N 2.84Å; N73-L76 HydrophobicContact CB-CB 4.04Å; N73-L76 PolarHBondContact O-N 3.21Å; N73-L76 VanDerWaalsContact O-N 3.16Å; N73-L76 PolarHBondContact OD1-N 3.19Å; N73-L77 PolarHBondContact O-N 2.89Å; N73-L77 VanDerWaalsContact O-N 3.08Å; N73-F175 PolarHBondContact N-O 3.25Å
74	M	96.7	Very high	97.7	Very high	43 Å²	43	51.3 Å²	51.3	21%	0.212	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-35.8	-178.4	-59.1	-53.6	-62.9	0	0	112.3	L35 H72 L76 L77 Y78	L35-M74 HydrophobicContact CB-CE 4.26Å; L35-M74 HydrophobicContact CB-SD 4.38Å; H72-M74 HydrophobicContact CB-SD 3.83Å; H72-M74 PolarHBondContact O-N 3.31Å; M74-L76 VanDerWaalsContact C-N 3.33Å; M74-L76 PolarHBondContact O-N 2.96Å; M74-L77 HydrophobicContact CE-CD1 4.49Å; M74-L77 PolarHBondContact O-N 3.13Å; M74-L77 HydrophobicContact SD-CD1 4.01Å; M74-Y78 HydrophobicContact CB-CE2 3.95Å; M74-Y78 HydrophobicContact CE-CE1 4.2Å; M74-Y78 WeakPolarHBondContact O-CD2 3.3Å; M74-Y78 PolarHBondContact O-N 2.65Å
75	S	95.9	Very high	97.7	Very high	64 Å²	64	49 Å²	49	45%	0.448	26%	0.261	S	S	.	.	H	α-helix	trans	-62.4	-39.7	177.4	-174.1	0	0	0	0	112.2	N73 K79	N73-S75 VanDerWaalsContact C-N 3.25Å; N73-S75 PolarHBondContact O-N 3.16Å; N73-S75 PolarHBondContact OD1-N 2.84Å; S75-K79 VanDerWaalsContact O-CG 3.29Å; S75-K79 WeakPolarHBondContact O-CG 3.49Å; S75-K79 PolarHBondContact O-N 2.88Å
76	L	97.7	Very high	97.8	Very high	51 Å²	51	51 Å²	51	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-67.9	-45.3	174.3	178.5	59.8	0	0	0	111.4	N73 M74 Y78 K79 A80 W88 V174 F175	N73-L76 HydrophobicContact CB-CB 4.04Å; N73-L76 PolarHBondContact O-N 3.21Å; N73-L76 VanDerWaalsContact O-N 3.16Å; N73-L76 PolarHBondContact OD1-N 3.19Å; M74-L76 VanDerWaalsContact C-N 3.33Å; M74-L76 PolarHBondContact O-N 2.96Å; L76-Y78 VanDerWaalsContact C-N 3.28Å; L76-Y78 PolarHBondContact O-N 3.01Å; L76-K79 PolarHBondContact O-N 2.91Å; L76-K79 VanDerWaalsContact O-N 3.08Å; L76-A80 WeakPolarHBondContact O-CB 3.14Å; L76-A80 PolarHBondContact O-N 2.91Å; L76-W88 HydrophobicContact CD1-CH2 4.31Å; L76-W88 HydrophobicContact CD2-CH2 4.24Å; L76-W88 HydrophobicContact CG-CH2 4.12Å; L76-V174 HydrophobicContact CD2-CG1 4.05Å; L76-V174 WeakPolarHBondContact CD2-O 3.49Å; L76-F175 HydrophobicContact CD2-CB 4.06Å
77	L	97.5	Very high	97.8	Very high	8 Å²	8	57 Å²	57	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-39.7	178.4	-74.7	170.1	0	0	0	112.4	H72 N73 M74 K79 K85 F175	H72-L77 HydrophobicContact CB-CD1 3.98Å; N73-L77 PolarHBondContact O-N 2.89Å; N73-L77 VanDerWaalsContact O-N 3.08Å; M74-L77 HydrophobicContact CE-CD1 4.49Å; M74-L77 PolarHBondContact O-N 3.13Å; M74-L77 HydrophobicContact SD-CD1 4.01Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.19Å; L77-K85 HydrophobicContact CD2-CD 4.32Å; L77-F175 HydrophobicContact CD1-CD2 3.93Å; L77-F175 HydrophobicContact CD1-CE2 4.43Å; L77-F175 HydrophobicContact CD2-CB 4.15Å; L77-F175 HydrophobicContact CD2-CD1 4.31Å; L77-F175 HydrophobicContact CD2-CD2 3.69Å; L77-F175 HydrophobicContact CD2-CE2 4.14Å; L77-F175 HydrophobicContact CD2-CG 3.79Å; L77-F175 HydrophobicContact CG-CB 4.24Å; L77-F175 HydrophobicContact CG-CD2 4.01Å; L77-F175 HydrophobicContact CG-CG 4.26Å
78	Y	96.1	Very high	97.9	Very high	161 Å²	161	56.3 Å²	56.3	63%	0.631	29%	0.286	S	S	*	.	H	α-helix	trans	-71	-25.5	177.2	-62	-36.5	0	0	0	114	M74 L76	M74-Y78 HydrophobicContact CB-CE2 3.95Å; M74-Y78 HydrophobicContact CE-CE1 4.2Å; M74-Y78 WeakPolarHBondContact O-CD2 3.3Å; M74-Y78 PolarHBondContact O-N 2.65Å; L76-Y78 VanDerWaalsContact C-N 3.28Å; L76-Y78 PolarHBondContact O-N 3.01Å
79	K	98.1	Very high	97.9	Very high	165 Å²	165	55.9 Å²	55.9	72%	0.717	28%	0.284	S	S	*	.	H	α-helix	trans	-90.7	-31	-179.1	-72	175.3	-176.3	-179.5	0	113.2	S75 L76 L77	S75-K79 VanDerWaalsContact O-CG 3.29Å; S75-K79 WeakPolarHBondContact O-CG 3.49Å; S75-K79 PolarHBondContact O-N 2.88Å; L76-K79 PolarHBondContact O-N 2.91Å; L76-K79 VanDerWaalsContact O-N 3.08Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.19Å
80	A	98.3	Very high	97.9	Very high	11 Å²	11	54 Å²	54	9%	0.091	28%	0.276	C	S	.	.	S	Bend	trans	-68.3	134.1	-177	0	0	0	0	0	110.9	L76 K85 W88	L76-A80 WeakPolarHBondContact O-CB 3.14Å; L76-A80 PolarHBondContact O-N 2.91Å; A80-K85 HydrophobicContact CB-CG 3.92Å; A80-W88 HydrophobicContact CB-CH2 3.63Å; A80-W88 HydrophobicContact CB-CZ3 3.87Å
81	A	98.1	Very high	97.9	Very high	65 Å²	65	54.3 Å²	54.3	54%	0.537	28%	0.277	S	S	.	.			trans	-65.3	150	173.7	0	0	0	0	0	110.6	G83 E84 K85	A81-G83 VanDerWaalsContact C-N 3.31Å; A81-G83 PolarHBondContact O-N 2.99Å; A81-E84 WeakPolarHBondContact O-CA 3.23Å; A81-E84 WeakPolarHBondContact O-CB 3.27Å; A81-E84 PolarHBondContact O-N 2.86Å; A81-K85 PolarHBondContact O-N 2.93Å; A81-K85 VanDerWaalsContact O-N 3.14Å
82	D	98.1	Very high	97.9	Very high	89 Å²	89	53.7 Å²	53.7	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-53.9	-46.3	-178.8	-73	-10.1	0	0	0	112.5	E84 K85 E86 I93	D82-E84 PolarHBondContact O-N 3.29Å; D82-E84 VanDerWaalsContact O-N 3.1Å; D82-K85 PolarHBondContact O-N 2.68Å; D82-K85 VanDerWaalsContact O-N 3.14Å; D82-K85 WeakPolarHBondContact OD1-CE 3.45Å; D82-K85 IonicContact OD1-NZ 2.68Å; D82-K85 PolarHBondContact OD1-NZ 3.38Å; D82-E86 WeakPolarHBondContact O-CB 3.36Å; D82-E86 VanDerWaalsContact O-CG 3.23Å; D82-E86 WeakPolarHBondContact O-CG 3.2Å; D82-E86 PolarHBondContact O-N 2.7Å; D82-I93 HydrophobicContact CB-CD1 3.86Å
83	G	98.1	Very high	97.9	Very high	31 Å²	31	53.8 Å²	53.8	32%	0.32	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-21.5	177.8	0	0	0	0	0	114.4	A81 R87	A81-G83 VanDerWaalsContact C-N 3.31Å; A81-G83 PolarHBondContact O-N 2.99Å; G83-R87 WeakPolarHBondContact O-CG 3.43Å; G83-R87 VanDerWaalsContact O-CZ 3.26Å; G83-R87 PolarHBondContact O-N 2.85Å; G83-R87 PolarHBondContact O-NH1 2.86Å
84	E	98.3	Very high	97.9	Very high	75 Å²	75	57.2 Å²	57.2	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-78.8	-49.1	173	-170.4	174.9	161.6	0	0	111.2	A81 D82 E86 R87 W88	A81-E84 WeakPolarHBondContact O-CA 3.23Å; A81-E84 WeakPolarHBondContact O-CB 3.27Å; A81-E84 PolarHBondContact O-N 2.86Å; D82-E84 PolarHBondContact O-N 3.29Å; D82-E84 VanDerWaalsContact O-N 3.1Å; E84-E86 VanDerWaalsContact C-N 3.27Å; E84-E86 PolarHBondContact O-N 2.62Å; E84-R87 WeakPolarHBondContact O-CB 3.21Å; E84-R87 PolarHBondContact O-N 2.8Å; E84-W88 HydrophobicContact CG-CH2 4.3Å; E84-W88 HydrophobicContact CG-CZ2 3.66Å; E84-W88 PolarHBondContact O-N 3.28Å; E84-W88 WeakPolarHBondContact OE1-CZ2 3.41Å
85	K	98.7	Very high	97.8	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-54.2	-45.6	172.9	-69.3	-176.3	-70.2	-178.9	0	111.2	E37 F38 L77 A80 A81 D82 R87 W88 I89 I93	E37-K85 IonicContact OE2-NZ 3.65Å; E37-K85 PolarHBondContact OE2-NZ 2.87Å; F38-K85 HydrophobicContact CE2-CB 3.93Å; F38-K85 HydrophobicContact CZ-CB 3.9Å; L77-K85 HydrophobicContact CD2-CD 4.32Å; A80-K85 HydrophobicContact CB-CG 3.92Å; A81-K85 PolarHBondContact O-N 2.93Å; A81-K85 VanDerWaalsContact O-N 3.14Å; D82-K85 PolarHBondContact O-N 2.68Å; D82-K85 VanDerWaalsContact O-N 3.14Å; D82-K85 WeakPolarHBondContact OD1-CE 3.45Å; D82-K85 IonicContact OD1-NZ 2.68Å; D82-K85 PolarHBondContact OD1-NZ 3.38Å; K85-R87 VanDerWaalsContact C-N 3.3Å; K85-R87 PolarHBondContact O-N 3.32Å; K85-W88 HydrophobicContact CB-CE3 4.44Å; K85-W88 HydrophobicContact CG-CE3 4.21Å; K85-W88 HydrophobicContact CG-CZ3 4.04Å; K85-W88 WeakPolarHBondContact O-CB 3.33Å; K85-W88 PolarHBondContact O-N 3.24Å; K85-W88 VanDerWaalsContact O-N 3.09Å; K85-I89 PolarHBondContact O-N 2.98Å; K85-I93 HydrophobicContact CB-CD1 4.06Å; K85-I93 HydrophobicContact CD-CD1 4.28Å
86	E	98.6	Very high	97.9	Very high	42 Å²	42	56.6 Å²	56.6	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-36.7	178.2	-70.9	-177.2	158.4	0	0	112.3	F38 D82 E84 I89 G90 R91 T92 I93 L99	F38-E86 HydrophobicContact CE1-CG 4.26Å; F38-E86 HydrophobicContact CZ-CG 4.3Å; D82-E86 WeakPolarHBondContact O-CB 3.36Å; D82-E86 VanDerWaalsContact O-CG 3.23Å; D82-E86 WeakPolarHBondContact O-CG 3.2Å; D82-E86 PolarHBondContact O-N 2.7Å; E84-E86 VanDerWaalsContact C-N 3.27Å; E84-E86 PolarHBondContact O-N 2.62Å; E86-I89 PolarHBondContact O-N 3.06Å; E86-G90 WeakPolarHBondContact O-CA 3.33Å; E86-G90 PolarHBondContact O-N 3.03Å; E86-R91 WeakPolarHBondContact CA-O 3.44Å; E86-R91 VanDerWaalsContact CB-O 3.31Å; E86-R91 WeakPolarHBondContact CB-O 3.22Å; E86-R91 WeakPolarHBondContact CG-O 3.46Å; E86-T92 WeakPolarHBondContact OE1-CA 3.18Å; E86-T92 WeakPolarHBondContact OE1-CB 3.43Å; E86-I93 HydrophobicContact CG-CD1 4.23Å; E86-I93 HydrophobicContact CG-CG1 3.86Å; E86-I93 PolarHBondContact OE1-N 2.56Å; E86-L99 HydrophobicContact CB-CD1 4.3Å; E86-L99 VanDerWaalsContact O-CD1 3.29Å; E86-L99 WeakPolarHBondContact O-CD1 3.22Å
87	R	98.6	Very high	97.8	Very high	127 Å²	127	61.5 Å²	61.5	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-71	-31.3	174.3	-77	-172.3	-56.2	-94.2	4	112.9	G83 E84 K85 P103 S106	G83-R87 WeakPolarHBondContact O-CG 3.43Å; G83-R87 VanDerWaalsContact O-CZ 3.26Å; G83-R87 PolarHBondContact O-N 2.85Å; G83-R87 PolarHBondContact O-NH1 2.86Å; E84-R87 WeakPolarHBondContact O-CB 3.21Å; E84-R87 PolarHBondContact O-N 2.8Å; K85-R87 VanDerWaalsContact C-N 3.3Å; K85-R87 PolarHBondContact O-N 3.32Å; R87-P103 HydrophobicContact CB-CG 4.12Å; R87-P103 HydrophobicContact CG-CG 4.39Å; R87-S106 VanDerWaalsContact O-CB 3.29Å; R87-S106 WeakPolarHBondContact O-CB 3.31Å
88	W	98.6	Very high	97.9	Very high	19 Å²	19	62.6 Å²	62.6	7%	0.072	30%	0.3	C	S	.	.	H	α-helix	trans	-67.4	-41.5	173.5	-61.1	-26.7	0	0	0	111.8	L76 A80 E84 K85 S106 H107 N171 V174 F175	L76-W88 HydrophobicContact CD1-CH2 4.31Å; L76-W88 HydrophobicContact CD2-CH2 4.24Å; L76-W88 HydrophobicContact CG-CH2 4.12Å; A80-W88 HydrophobicContact CB-CH2 3.63Å; A80-W88 HydrophobicContact CB-CZ3 3.87Å; E84-W88 HydrophobicContact CG-CH2 4.3Å; E84-W88 HydrophobicContact CG-CZ2 3.66Å; E84-W88 PolarHBondContact O-N 3.28Å; E84-W88 WeakPolarHBondContact OE1-CZ2 3.41Å; K85-W88 HydrophobicContact CB-CE3 4.44Å; K85-W88 HydrophobicContact CG-CE3 4.21Å; K85-W88 HydrophobicContact CG-CZ3 4.04Å; K85-W88 WeakPolarHBondContact O-CB 3.33Å; K85-W88 PolarHBondContact O-N 3.24Å; K85-W88 VanDerWaalsContact O-N 3.09Å; W88-S106 CarbonylContact O-C 3.49Å; W88-S106 VanDerWaalsContact O-CA 3.26Å; W88-S106 WeakPolarHBondContact O-CA 3.48Å; W88-H107 PolarHBondContact O-N 3.37Å; W88-N171 HydrophobicContact CB-CB 3.83Å; W88-N171 HydrophobicContact CG-CB 4.07Å; W88-V174 HydrophobicContact CD2-CG1 4.38Å; W88-V174 HydrophobicContact CH2-CG1 4.05Å; W88-V174 HydrophobicContact CZ2-CG1 3.57Å; W88-F175 HydrophobicContact CD2-CD1 4.42Å; W88-F175 AromaticContact CE3-CD1 3.64Å; W88-F175 HydrophobicContact CE3-CD1 3.64Å; W88-F175 HydrophobicContact CE3-CE1 4.18Å; W88-F175 HydrophobicContact CZ3-CB 4.44Å; W88-F175 HydrophobicContact CZ3-CD1 4.1Å
89	I	98.4	Very high	98	Very high	13 Å²	13	56.4 Å²	56.4	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-83.9	-41.3	-178.4	-61	-52.8	0	0	0	112.5	F38 K85 E86 R91 H107 V108 I172 F175	F38-I89 HydrophobicContact CD1-CB 4.01Å; F38-I89 HydrophobicContact CD1-CG1 4.03Å; F38-I89 HydrophobicContact CD1-CG2 3.79Å; F38-I89 HydrophobicContact CD2-CG1 3.64Å; F38-I89 HydrophobicContact CE1-CB 3.8Å; F38-I89 HydrophobicContact CE1-CG1 3.89Å; F38-I89 HydrophobicContact CE1-CG2 4.06Å; F38-I89 HydrophobicContact CE2-CB 4.32Å; F38-I89 HydrophobicContact CE2-CG1 3.48Å; F38-I89 VanDerWaalsContact CE2-CG1 3.48Å; F38-I89 HydrophobicContact CG-CB 4.35Å; F38-I89 HydrophobicContact CG-CG1 3.9Å; F38-I89 HydrophobicContact CG-CG2 4.14Å; F38-I89 HydrophobicContact CZ-CB 3.95Å; F38-I89 HydrophobicContact CZ-CG1 3.61Å; K85-I89 PolarHBondContact O-N 2.98Å; E86-I89 PolarHBondContact O-N 3.06Å; I89-R91 HydrophobicContact CG2-CB 4.42Å; I89-R91 HydrophobicContact CG2-CG 4.43Å; I89-H107 HydrophobicContact CD1-CB 4.47Å; I89-H107 PolarHBondContact O-N 3.05Å; I89-V108 VanDerWaalsContact O-CG2 3.3Å; I89-V108 WeakPolarHBondContact O-CG2 3.2Å; I89-V108 PolarHBondContact O-N 2.75Å; I89-I172 HydrophobicContact CD1-CG1 4.46Å; I89-F175 HydrophobicContact CD1-CE1 3.96Å; I89-F175 HydrophobicContact CD1-CZ 3.89Å
90	G	98.4	Very high	97.9	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	15.7	-172.9	0	0	0	0	0	114.1	E86 L99	E86-G90 WeakPolarHBondContact O-CA 3.33Å; E86-G90 PolarHBondContact O-N 3.03Å; G90-L99 PolarHBondContact O-N 3.47Å
91	R	98.4	Very high	97.9	Very high	24 Å²	24	65.1 Å²	65.1	9%	0.091	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-136.6	161.4	173.9	-53.2	-171.2	76.9	91.6	-9.4	110.8	F38 T42 E43 E86 I89 S96 Y97 V108	F38-R91 WeakPolarHBondContact CE1-O 3.29Å; T42-R91 VanDerWaalsContact CG2-NH2 3.33Å; E43-R91 IonicContact OE1-CZ 3.98Å; E43-R91 IonicContact OE1-NH1 2.65Å; E43-R91 PolarHBondContact OE1-NH1 3.36Å; E43-R91 IonicContact OE1-NH2 3.55Å; E43-R91 PolarHBondContact OE1-NH2 2.75Å; E86-R91 WeakPolarHBondContact CA-O 3.44Å; E86-R91 VanDerWaalsContact CB-O 3.31Å; E86-R91 WeakPolarHBondContact CB-O 3.22Å; E86-R91 WeakPolarHBondContact CG-O 3.46Å; I89-R91 HydrophobicContact CG2-CB 4.42Å; I89-R91 HydrophobicContact CG2-CG 4.43Å; R91-S96 PolarHBondContact NE-O 2.88Å; R91-S96 PolarHBondContact NE-OG 2.82Å; R91-S96 PolarHBondContact NH2-O 2.9Å; R91-Y97 CarbonylContact C-O 3.53Å; R91-Y97 WeakPolarHBondContact CA-O 3.41Å; R91-Y97 WeakPolarHBondContact CB-O 3.3Å; R91-V108 HydrophobicContact CG-CG2 3.74Å
92	T	98.3	Very high	97.8	Very high	31 Å²	31	62.7 Å²	62.7	19%	0.19	29%	0.289	C	S	.	.			trans	-75.1	144.2	171.1	63.2	0	0	0	0	111.1	E86 S96 Y97 L99	E86-T92 WeakPolarHBondContact OE1-CA 3.18Å; E86-T92 WeakPolarHBondContact OE1-CB 3.43Å; T92-S96 WeakPolarHBondContact O-CA 3.4Å; T92-S96 PolarHBondContact O-N 2.88Å; T92-S96 VanDerWaalsContact O-N 3.12Å; T92-S96 PolarHBondContact OG1-N 3.25Å; T92-Y97 PolarHBondContact N-O 3.16Å; T92-Y97 PolarHBondContact OG1-N 3.29Å; T92-L99 HydrophobicContact CG2-CD2 3.8Å
93	I	97.6	Very high	97.8	Very high	16 Å²	16	60.3 Å²	60.3	8%	0.082	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-55.4	-180	-70.7	168.5	0	0	0	110.2	R33 E37 F38 D82 K85 E86	R33-I93 PolarHBondContact NH1-O 3.32Å; E37-I93 HydrophobicContact CB-CG2 4.2Å; F38-I93 HydrophobicContact CD1-CG1 4.13Å; F38-I93 HydrophobicContact CD2-CG1 4.43Å; F38-I93 HydrophobicContact CE1-CB 4.37Å; F38-I93 HydrophobicContact CE1-CG1 3.42Å; F38-I93 VanDerWaalsContact CE1-CG1 3.42Å; F38-I93 HydrophobicContact CE2-CD1 4.23Å; F38-I93 HydrophobicContact CE2-CG1 3.8Å; F38-I93 HydrophobicContact CZ-CD1 3.89Å; F38-I93 HydrophobicContact CZ-CG1 3.24Å; D82-I93 HydrophobicContact CB-CD1 3.86Å; K85-I93 HydrophobicContact CB-CD1 4.06Å; K85-I93 HydrophobicContact CD-CD1 4.28Å; E86-I93 HydrophobicContact CG-CD1 4.23Å; E86-I93 HydrophobicContact CG-CG1 3.86Å; E86-I93 PolarHBondContact OE1-N 2.56Å
94	K	96.6	Very high	97.8	Very high	157 Å²	157	61.7 Å²	61.7	68%	0.683	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-61.2	-171	-174.1	-177.3	174.6	-177.8	0	112.7	R33	R33-K94 PolarHBondContact NH2-O 3.45Å
95	D	96	Very high	97.8	Very high	85 Å²	85	59.7 Å²	59.7	46%	0.455	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	5.2	-168.5	-57.2	-59.2	0	0	0	113.5	Y97	D95-Y97 HydrophobicContact CB-CD2 3.51Å; D95-Y97 HydrophobicContact CB-CE2 3.24Å; D95-Y97 HydrophobicContact CB-CG 4.31Å; D95-Y97 PolarHBondContact O-N 3.09Å
96	S	96.8	Very high	97.8	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.063	27%	0.269	C	S	.	.			trans	53.1	35.6	-177.6	-159	0	0	0	0	113.7	T42 R91 T92	T42-S96 PolarHBondContact OG1-OG 2.85Å; R91-S96 PolarHBondContact NE-O 2.88Å; R91-S96 PolarHBondContact NE-OG 2.82Å; R91-S96 PolarHBondContact NH2-O 2.9Å; T92-S96 WeakPolarHBondContact O-CA 3.4Å; T92-S96 PolarHBondContact O-N 2.88Å; T92-S96 VanDerWaalsContact O-N 3.12Å; T92-S96 PolarHBondContact OG1-N 3.25Å
97	Y	97.4	Very high	97.8	Very high	153 Å²	153	58.8 Å²	58.8	60%	0.6	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-78.1	136.7	173	-66	-52.8	0	0	0	110.9	R91 T92 D95 L99	R91-Y97 CarbonylContact C-O 3.53Å; R91-Y97 WeakPolarHBondContact CA-O 3.41Å; R91-Y97 WeakPolarHBondContact CB-O 3.3Å; T92-Y97 PolarHBondContact N-O 3.16Å; T92-Y97 PolarHBondContact OG1-N 3.29Å; D95-Y97 HydrophobicContact CB-CD2 3.51Å; D95-Y97 HydrophobicContact CB-CE2 3.24Å; D95-Y97 HydrophobicContact CB-CG 4.31Å; D95-Y97 PolarHBondContact O-N 3.09Å; Y97-L99 PolarHBondContact O-N 3.17Å
98	E	97.8	Very high	97.8	Very high	32 Å²	32	53.7 Å²	53.7	15%	0.15	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-62.2	134.7	171.7	-173.7	-179.2	140.5	0	0	110.5	I100 K102 V108 F117 K118	E98-I100 PolarHBondContact O-N 2.88Å; E98-K102 HydrophobicContact CG-CD 4.38Å; E98-K102 VanDerWaalsContact OE1-CE 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.25Å; E98-K102 IonicContact OE1-NZ 3.38Å; E98-K102 PolarHBondContact OE1-NZ 3.12Å; E98-V108 HydrophobicContact CG-CG1 4.38Å; E98-F117 HydrophobicContact CB-CD2 4.38Å; E98-F117 HydrophobicContact CB-CE2 4Å; E98-F117 HydrophobicContact CG-CD2 4.17Å; E98-F117 HydrophobicContact CG-CE2 4.3Å; E98-F117 WeakPolarHBondContact O-CE2 3.43Å; E98-K118 PolarHBondContact OE1-N 2.95Å
99	L	98.2	Very high	97.8	Very high	31 Å²	31	52.8 Å²	52.8	16%	0.162	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70.9	132.9	176.9	-60.5	179.9	0	0	0	110.4	E86 G90 T92 Y97 R101 K102	E86-L99 HydrophobicContact CB-CD1 4.3Å; E86-L99 VanDerWaalsContact O-CD1 3.29Å; E86-L99 WeakPolarHBondContact O-CD1 3.22Å; G90-L99 PolarHBondContact O-N 3.47Å; T92-L99 HydrophobicContact CG2-CD2 3.8Å; Y97-L99 PolarHBondContact O-N 3.17Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 2.87Å; L99-K102 HydrophobicContact CB-CB 4.07Å; L99-K102 PolarHBondContact O-NZ 3.42Å
100	I	97.7	Very high	97.7	Very high	126 Å²	126	52.2 Å²	52.2	65%	0.646	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.3	174.7	-61.6	174.4	0	0	0	110.5	E98 F117	E98-I100 PolarHBondContact O-N 2.88Å; I100-F117 HydrophobicContact CG1-CD2 4.17Å; I100-F117 HydrophobicContact CG1-CE2 4.15Å; I100-F117 HydrophobicContact CG1-CG 4.45Å; I100-F117 HydrophobicContact CG1-CZ 4.4Å
101	R	96.5	Very high	97.7	Very high	233 Å²	233	53.7 Å²	53.7	88%	0.879	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	65.5	179.3	-67.5	-174.8	169	-167.4	-3.1	111.1	L99	L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 2.87Å
102	K	97.7	Very high	97.6	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.057	25%	0.252	C	S	.	.			trans	-78.6	145.5	172.1	55.1	-165.4	163.4	-60.7	0	111.5	E98 L99 V108 A109 A115 E116	E98-K102 HydrophobicContact CG-CD 4.38Å; E98-K102 VanDerWaalsContact OE1-CE 3.24Å; E98-K102 WeakPolarHBondContact OE1-CE 3.25Å; E98-K102 IonicContact OE1-NZ 3.38Å; E98-K102 PolarHBondContact OE1-NZ 3.12Å; L99-K102 HydrophobicContact CB-CB 4.07Å; L99-K102 PolarHBondContact O-NZ 3.42Å; K102-V108 HydrophobicContact CD-CB 4.26Å; K102-V108 HydrophobicContact CD-CG1 4.01Å; K102-A109 HydrophobicContact CD-CB 4.48Å; K102-A115 WeakPolarHBondContact CE-O 3.46Å; K102-A115 WeakPolarHBondContact CG-O 3.35Å; K102-A115 PolarHBondContact NZ-O 3.2Å; K102-E116 PolarHBondContact NZ-O 2.88Å; K102-E116 VanDerWaalsContact NZ-O 3.11Å
103	P	98.1	Very high	97.5	Very high	39 Å²	39	53.7 Å²	53.7	25%	0.253	26%	0.261	S	S	.	.			trans	-59.1	150.1	166.4	-21.9	33	0	0	0	111.6	R87 T105 S106 A109	R87-P103 HydrophobicContact CB-CG 4.12Å; R87-P103 HydrophobicContact CG-CG 4.39Å; P103-T105 PolarHBondContact O-N 3.21Å; P103-S106 VanDerWaalsContact O-CB 3.25Å; P103-S106 WeakPolarHBondContact O-CB 3.34Å; P103-S106 PolarHBondContact O-N 3.49Å; P103-S106 PolarHBondContact O-OG 3.13Å; P103-A109 WeakPolarHBondContact O-CB 3.38Å
104	D	97.7	Very high	97.5	Very high	60 Å²	60	54.5 Å²	54.5	32%	0.321	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.5	173.2	66	-5.2	0	0	0	113.9	R110 A115 K168	D104-R110 WeakPolarHBondContact O-CD 3.41Å; D104-R110 PolarHBondContact O-NH1 2.71Å; D104-A115 HydrophobicContact CB-CB 3.98Å; D104-K168 VanDerWaalsContact CG-NZ 3.25Å; D104-K168 IonicContact OD1-NZ 3.21Å; D104-K168 PolarHBondContact OD1-NZ 3.4Å; D104-K168 IonicContact OD2-NZ 2.56Å; D104-K168 PolarHBondContact OD2-NZ 3.27Å
105	T	98.5	Very high	97.5	Very high	33 Å²	33	48.6 Å²	48.6	20%	0.202	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.6	167.8	50	0	0	0	0	113.4	P103 K168 N171	P103-T105 PolarHBondContact O-N 3.21Å; T105-K168 HydrophobicContact CG2-CB 4.12Å; T105-K168 HydrophobicContact CG2-CD 4.17Å; T105-K168 HydrophobicContact CG2-CG 4.41Å; T105-N171 WeakPolarHBondContact CB-ND2 3.29Å; T105-N171 WeakPolarHBondContact CB-OD1 3.36Å; T105-N171 WeakPolarHBondContact O-CB 3.38Å; T105-N171 PolarHBondContact O-N 2.88Å; T105-N171 PolarHBondContact OG1-ND2 3.46Å; T105-N171 PolarHBondContact OG1-OD1 3.31Å
106	S	98.6	Very high	97.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-64.7	147.8	176.7	67.9	0	0	0	0	111.8	R87 W88 P103 V108 A109 R110	R87-S106 VanDerWaalsContact O-CB 3.29Å; R87-S106 WeakPolarHBondContact O-CB 3.31Å; W88-S106 CarbonylContact O-C 3.49Å; W88-S106 VanDerWaalsContact O-CA 3.26Å; W88-S106 WeakPolarHBondContact O-CA 3.48Å; P103-S106 VanDerWaalsContact O-CB 3.25Å; P103-S106 WeakPolarHBondContact O-CB 3.34Å; P103-S106 PolarHBondContact O-N 3.49Å; P103-S106 PolarHBondContact O-OG 3.13Å; S106-V108 VanDerWaalsContact C-N 3.31Å; S106-V108 PolarHBondContact O-N 3.39Å; S106-A109 WeakPolarHBondContact O-CA 3.35Å; S106-A109 WeakPolarHBondContact O-CB 3.46Å; S106-A109 PolarHBondContact O-N 3.03Å; S106-A109 VanDerWaalsContact OG-CB 3.28Å; S106-A109 WeakPolarHBondContact OG-CB 3.09Å; S106-A109 PolarHBondContact OG-N 2.92Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 3.14Å
107	H	98.4	Very high	97.6	Very high	33 Å²	33	55 Å²	55	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-54.1	-46.6	-177.6	-174.1	53.5	0	0	0	112.5	W88 I89 A109 R110 M111 D170 I172	W88-H107 PolarHBondContact O-N 3.37Å; I89-H107 HydrophobicContact CD1-CB 4.47Å; I89-H107 PolarHBondContact O-N 3.05Å; H107-A109 VanDerWaalsContact C-N 3.32Å; H107-A109 PolarHBondContact O-N 2.69Å; H107-R110 PolarHBondContact O-N 3.41Å; H107-M111 VanDerWaalsContact O-CG 3.3Å; H107-M111 WeakPolarHBondContact O-CG 3.42Å; H107-M111 PolarHBondContact O-N 2.72Å; H107-D170 VanDerWaalsContact CA-OD1 3.26Å; H107-D170 WeakPolarHBondContact CA-OD1 3.39Å; H107-D170 WeakPolarHBondContact CA-OD2 3.48Å; H107-D170 WeakPolarHBondContact CB-OD1 3.31Å; H107-D170 IonicContact CE1-OD2 3.6Å; H107-D170 IonicContact CG-OD1 3.55Å; H107-D170 IonicContact CG-OD2 3.52Å; H107-D170 PolarHBondContact N-OD1 2.72Å; H107-D170 IonicContact ND1-OD1 3.1Å; H107-D170 IonicContact ND1-OD2 3.91Å; H107-D170 PolarHBondContact ND1-OD2 2.73Å; H107-I172 HydrophobicContact CB-CB 4.32Å
108	V	97.8	Very high	97.4	Very high	21 Å²	21	55.1 Å²	55.1	13%	0.127	28%	0.277	C	S	.	.	H	α-helix	trans	-57.1	-44.7	174.7	170.5	0	0	0	0	111.5	I89 R91 E98 K102 S106 R110 M111 V112	I89-V108 VanDerWaalsContact O-CG2 3.3Å; I89-V108 WeakPolarHBondContact O-CG2 3.2Å; I89-V108 PolarHBondContact O-N 2.75Å; R91-V108 HydrophobicContact CG-CG2 3.74Å; E98-V108 HydrophobicContact CG-CG1 4.38Å; K102-V108 HydrophobicContact CD-CB 4.26Å; K102-V108 HydrophobicContact CD-CG1 4.01Å; S106-V108 VanDerWaalsContact C-N 3.31Å; S106-V108 PolarHBondContact O-N 3.39Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 3.4Å; V108-M111 PolarHBondContact O-N 2.83Å; V108-V112 HydrophobicContact CG1-CG2 4.23Å; V108-V112 WeakPolarHBondContact O-CB 3.43Å; V108-V112 VanDerWaalsContact O-CG2 3.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.24Å; V108-V112 PolarHBondContact O-N 3.4Å
109	A	98	Very high	97.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-34.6	179.7	0	0	0	0	0	112.7	K102 P103 S106 H107 G113 S114 A115	K102-A109 HydrophobicContact CD-CB 4.48Å; P103-A109 WeakPolarHBondContact O-CB 3.38Å; S106-A109 WeakPolarHBondContact O-CA 3.35Å; S106-A109 WeakPolarHBondContact O-CB 3.46Å; S106-A109 PolarHBondContact O-N 3.03Å; S106-A109 VanDerWaalsContact OG-CB 3.28Å; S106-A109 WeakPolarHBondContact OG-CB 3.09Å; S106-A109 PolarHBondContact OG-N 2.92Å; H107-A109 VanDerWaalsContact C-N 3.32Å; H107-A109 PolarHBondContact O-N 2.69Å; A109-G113 CarbonylContact O-C 3.6Å; A109-G113 WeakPolarHBondContact O-CA 3.48Å; A109-G113 PolarHBondContact O-N 3.49Å; A109-S114 VanDerWaalsContact CA-O 3.3Å; A109-S114 WeakPolarHBondContact CA-O 3.2Å; A109-S114 WeakPolarHBondContact CB-O 3.22Å; A109-S114 PolarHBondContact O-N 3.31Å; A109-A115 HydrophobicContact CB-CB 4.38Å
110	R	98	Very high	97.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-45.9	174	-56.9	-44.2	-69.2	175.2	-1	111.4	D104 S106 H107 V108 G113 R159 S164 D166 K168 D170	D104-R110 WeakPolarHBondContact O-CD 3.41Å; D104-R110 PolarHBondContact O-NH1 2.71Å; S106-R110 WeakPolarHBondContact O-CG 3.49Å; S106-R110 PolarHBondContact O-N 3.14Å; H107-R110 PolarHBondContact O-N 3.41Å; V108-R110 VanDerWaalsContact C-N 3.34Å; V108-R110 PolarHBondContact O-N 3.4Å; R110-G113 PolarHBondContact O-N 3.02Å; R110-R159 HydrophobicContact CB-CB 4.33Å; R110-R159 PolarHBondContact NE-O 2.9Å; R110-R159 VanDerWaalsContact NH1-NH1 3.15Å; R110-R159 PolarHBondContact NH2-O 3.37Å; R110-S164 PolarHBondContact NH2-OG 2.82Å; R110-S164 VanDerWaalsContact NH2-OG 3.11Å; R110-D166 IonicContact CZ-OD1 3.87Å; R110-D166 IonicContact CZ-OD2 2.62Å; R110-D166 IonicContact NH1-OD1 3.78Å; R110-D166 IonicContact NH1-OD2 2.79Å; R110-D166 PolarHBondContact NH1-OD2 2.88Å; R110-D166 IonicContact NH2-OD1 2.87Å; R110-D166 PolarHBondContact NH2-OD1 3.49Å; R110-D166 VanDerWaalsContact NH2-OD1 3.1Å; R110-D166 IonicContact NH2-OD2 3.93Å; R110-K168 PolarHBondContact NH2-O 2.94Å; R110-D170 HydrophobicContact CB-CB 4.49Å; R110-D170 WeakPolarHBondContact CB-OD2 3.3Å; R110-D170 HydrophobicContact CG-CB 3.75Å; R110-D170 WeakPolarHBondContact CG-OD2 3.28Å
111	M	97.4	Very high	97	Very high	32 Å²	32	60.3 Å²	60.3	16%	0.158	30%	0.297	C	S	.	.	H	α-helix	trans	-68.9	-35.4	-178.1	-64.7	-57.4	95.7	0	0	113.3	H107 V108 M156 M160	H107-M111 VanDerWaalsContact O-CG 3.3Å; H107-M111 WeakPolarHBondContact O-CG 3.42Å; H107-M111 PolarHBondContact O-N 2.72Å; V108-M111 PolarHBondContact O-N 2.83Å; M111-M156 HydrophobicContact CE-CB 3.9Å; M111-M156 HydrophobicContact CE-CG 4.37Å; M111-M156 HydrophobicContact SD-CB 3.85Å; M111-M156 HydrophobicContact SD-CG 3.89Å; M111-M156 HydrophobicContact SD-SD 3.87Å; M111-M160 HydrophobicContact CE-CG 3.31Å; M111-M160 HydrophobicContact CE-SD 3.55Å; M111-M160 VanDerWaalsContact CE-SD 3.55Å; M111-M160 HydrophobicContact SD-SD 4.45Å
112	V	96.7	Very high	96.8	Very high	17 Å²	17	56.5 Å²	56.5	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-82	-32.7	177.6	177.8	0	0	0	0	111.6	V108 A119 K121	V108-V112 HydrophobicContact CG1-CG2 4.23Å; V108-V112 WeakPolarHBondContact O-CB 3.43Å; V108-V112 VanDerWaalsContact O-CG2 3.28Å; V108-V112 WeakPolarHBondContact O-CG2 3.24Å; V108-V112 PolarHBondContact O-N 3.4Å; V112-A119 HydrophobicContact CG1-CB 3.67Å; V112-K121 HydrophobicContact CG2-CG 4.11Å
113	G	96.3	Very high	96.7	Very high	38 Å²	38	58.5 Å²	58.5	39%	0.392	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	9.7	-171.2	0	0	0	0	0	114.4	A109 R110	A109-G113 CarbonylContact O-C 3.6Å; A109-G113 WeakPolarHBondContact O-CA 3.48Å; A109-G113 PolarHBondContact O-N 3.49Å; R110-G113 PolarHBondContact O-N 3.02Å
114	S	96.5	Very high	96.6	Very high	33 Å²	33	62.1 Å²	62.1	23%	0.231	30%	0.303	C	S	.	.			trans	-151.8	146.5	179.1	178.5	0	0	0	0	111	A109 E116	A109-S114 VanDerWaalsContact CA-O 3.3Å; A109-S114 WeakPolarHBondContact CA-O 3.2Å; A109-S114 WeakPolarHBondContact CB-O 3.22Å; A109-S114 PolarHBondContact O-N 3.31Å; S114-E116 WeakPolarHBondContact OG-CB 3.29Å; S114-E116 WeakPolarHBondContact OG-CG 3.5Å; S114-E116 PolarHBondContact OG-N 3.08Å; S114-E116 VanDerWaalsContact OG-N 3.1Å
115	A	96.9	Very high	96.7	Very high	32 Å²	32	60.1 Å²	60.1	26%	0.264	29%	0.292	S	S	.	.			trans	-84.6	-13.5	171.9	0	0	0	0	0	112.9	K102 D104 A109	K102-A115 WeakPolarHBondContact CE-O 3.46Å; K102-A115 WeakPolarHBondContact CG-O 3.35Å; K102-A115 PolarHBondContact NZ-O 3.2Å; D104-A115 HydrophobicContact CB-CB 3.98Å; A109-A115 HydrophobicContact CB-CB 4.38Å
116	E	97.4	Very high	96.6	Very high	140 Å²	140	58.7 Å²	58.7	65%	0.654	28%	0.284	S	S	*	.	S	Bend	trans	-57.5	143.3	179.9	-67.4	174.3	175.8	0	0	111.3	K102 S114 K118 A119	K102-E116 PolarHBondContact NZ-O 2.88Å; K102-E116 VanDerWaalsContact NZ-O 3.11Å; S114-E116 WeakPolarHBondContact OG-CB 3.29Å; S114-E116 WeakPolarHBondContact OG-CG 3.5Å; S114-E116 PolarHBondContact OG-N 3.08Å; S114-E116 VanDerWaalsContact OG-N 3.1Å; E116-K118 PolarHBondContact O-N 3.34Å; E116-A119 HydrophobicContact CB-CB 4.18Å; E116-A119 PolarHBondContact O-N 3.26Å
117	F	97.1	Very high	96.6	Very high	89 Å²	89	61 Å²	61	39%	0.39	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	127	178.5	-177.4	-116.4	0	0	0	110.7	E98 I100 A119	E98-F117 HydrophobicContact CB-CD2 4.38Å; E98-F117 HydrophobicContact CB-CE2 4Å; E98-F117 HydrophobicContact CG-CD2 4.17Å; E98-F117 HydrophobicContact CG-CE2 4.3Å; E98-F117 WeakPolarHBondContact O-CE2 3.43Å; I100-F117 HydrophobicContact CG1-CD2 4.17Å; I100-F117 HydrophobicContact CG1-CE2 4.15Å; I100-F117 HydrophobicContact CG1-CG 4.45Å; I100-F117 HydrophobicContact CG1-CZ 4.4Å; F117-A119 PolarHBondContact O-N 3.43Å
118	K	94.6	Very high	96.4	Very high	156 Å²	156	63.7 Å²	63.7	68%	0.678	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	33.1	-179.7	-61.7	-178.7	172.7	-179.5	0	114.1	E98 E116	E98-K118 PolarHBondContact OE1-N 2.95Å; E116-K118 PolarHBondContact O-N 3.34Å
119	A	96	Very high	96.3	Very high	22 Å²	22	63.1 Å²	63.1	18%	0.182	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-58	145.7	173.7	0	0	0	0	0	111.9	V112 E116 F117 K121	V112-A119 HydrophobicContact CG1-CB 3.67Å; E116-A119 HydrophobicContact CB-CB 4.18Å; E116-A119 PolarHBondContact O-N 3.26Å; F117-A119 PolarHBondContact O-N 3.43Å; A119-K121 PolarHBondContact O-N 3.08Å
120	K	94.8	Very high	96.3	Very high	200 Å²	200	66.5 Å²	66.5	87%	0.87	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-69.6	126.8	179.4	-174.6	179	179.2	-179.3	0	110.2	K122	K120-K122 PolarHBondContact O-N 3.06Å
121	K	93.8	Very high	96.3	Very high	76 Å²	76	66.7 Å²	66.7	33%	0.33	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-68.5	119.5	173.7	-62.8	168.4	-168.1	160.7	0	109.7	E43 V112 A119 R124	E43-K121 IonicContact OE2-NZ 3.67Å; E43-K121 PolarHBondContact OE2-NZ 2.85Å; V112-K121 HydrophobicContact CG2-CG 4.11Å; A119-K121 PolarHBondContact O-N 3.08Å; K121-R124 HydrophobicContact CB-CG 4.42Å
122	K	92.1	Very high	96.3	Very high	152 Å²	152	65.8 Å²	65.8	66%	0.661	31%	0.314	S	S	*	.	S	Bend	trans	-73.4	-40.8	174.1	-175.9	178.9	173.5	-165.2	0	111.7	K120	K120-K122 PolarHBondContact O-N 3.06Å
123	Y	96.5	Very high	96.2	Very high	55 Å²	55	66.2 Å²	66.2	22%	0.216	32%	0.323	C	S	.	.	S	Bend	trans	-117.4	145.5	179.4	-62.7	-82.7	0	0	0	109.6	D151 N152 F155	Y123-D151 HydrophobicContact CE1-CB 4.43Å; Y123-N152 WeakPolarHBondContact CB-OD1 3.47Å; Y123-N152 HydrophobicContact CD1-CB 4.46Å; Y123-N152 WeakPolarHBondContact CD1-OD1 3.5Å; Y123-F155 HydrophobicContact CD2-CB 3.62Å; Y123-F155 AromaticContact CD2-CD1 3.35Å; Y123-F155 HydrophobicContact CD2-CD1 3.35Å; Y123-F155 AromaticContact CD2-CD2 3.69Å; Y123-F155 HydrophobicContact CD2-CD2 3.69Å; Y123-F155 AromaticContact CD2-CE1 3.88Å; Y123-F155 HydrophobicContact CD2-CE1 3.88Å; Y123-F155 HydrophobicContact CD2-CE2 4.17Å; Y123-F155 AromaticContact CD2-CG 3.23Å; Y123-F155 HydrophobicContact CD2-CG 3.23Å; Y123-F155 HydrophobicContact CD2-CZ 4.25Å; Y123-F155 HydrophobicContact CE2-CB 3.73Å; Y123-F155 HydrophobicContact CE2-CD1 4.05Å; Y123-F155 AromaticContact CE2-CD2 3.47Å; Y123-F155 HydrophobicContact CE2-CD2 3.47Å; Y123-F155 VanDerWaalsContact CE2-CD2 3.47Å; Y123-F155 HydrophobicContact CE2-CE2 4.06Å; Y123-F155 AromaticContact CE2-CG 3.46Å; Y123-F155 HydrophobicContact CE2-CG 3.46Å; Y123-F155 VanDerWaalsContact CE2-CG 3.46Å; Y123-F155 HydrophobicContact CG-CB 4.08Å; Y123-F155 HydrophobicContact CG-CD1 4.06Å; Y123-F155 HydrophobicContact CG-CG 4.09Å
124	R	96.6	Very high	96.2	Very high	116 Å²	116	68.1 Å²	68.1	44%	0.438	33%	0.327	S	S	.	.			trans	-131.8	141.9	-176.8	-62.5	-173.2	-65.8	173.1	3	109.5	E53 V54 K121 N152	E53-R124 IonicContact OE1-CZ 2.91Å; E53-R124 IonicContact OE1-NH1 3.77Å; E53-R124 IonicContact OE1-NH2 3.51Å; E53-R124 PolarHBondContact OE1-NH2 3.16Å; V54-R124 HydrophobicContact CG1-CB 3.65Å; V54-R124 HydrophobicContact CG2-CB 4.1Å; K121-R124 HydrophobicContact CB-CG 4.42Å; R124-N152 PolarHBondContact N-OD1 3.47Å; R124-N152 PolarHBondContact O-OD1 2.72Å
125	I	98.1	Very high	95.9	Very high	18 Å²	18	74.9 Å²	74.9	9%	0.092	36%	0.359	C	S	.	.			trans	-137.1	161.4	173.5	64.7	174.5	0	0	0	108.7	R127 F143 A145 Y146 A147 N152 F153 M156	I125-R127 HydrophobicContact CD1-CG 3.69Å; I125-R127 HydrophobicContact CG1-CG 3.85Å; I125-F143 HydrophobicContact CD1-CZ 4.18Å; I125-A145 HydrophobicContact CD1-CB 3.9Å; I125-Y146 CarbonylContact C-O 3.48Å; I125-Y146 WeakPolarHBondContact CA-O 3.44Å; I125-A147 HydrophobicContact CG2-CB 3.85Å; I125-N152 HydrophobicContact CG2-CB 3.76Å; I125-F153 HydrophobicContact CB-CE1 4.2Å; I125-F153 HydrophobicContact CD1-CE1 4.2Å; I125-F153 HydrophobicContact CG2-CD1 4.02Å; I125-F153 HydrophobicContact CG2-CE1 3.73Å; I125-F153 HydrophobicContact CG2-CZ 4.41Å; I125-M156 HydrophobicContact CD1-CE 4.37Å; I125-M156 HydrophobicContact CD1-SD 3.53Å; I125-M156 VanDerWaalsContact CD1-SD 3.53Å; I125-M156 HydrophobicContact CG1-CE 4.11Å; I125-M156 HydrophobicContact CG1-SD 3.94Å; I125-M156 HydrophobicContact CG2-CE 4.09Å; I125-M156 HydrophobicContact CG2-SD 4.11Å
126	V	98	Very high	95.7	Very high	3 Å²	3	79.2 Å²	79.2	2%	0.018	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	116.5	169.9	175.7	0	0	0	0	108.3	P45 R51 V54 A55 A145 Y146	P45-V126 HydrophobicContact CG-CG2 4.43Å; R51-V126 HydrophobicContact CB-CG1 4.48Å; R51-V126 HydrophobicContact CB-CG2 4.03Å; R51-V126 HydrophobicContact CG-CG1 4.35Å; R51-V126 HydrophobicContact CG-CG2 4.28Å; R51-V126 VanDerWaalsContact NE-CG1 3.28Å; R51-V126 VanDerWaalsContact NH2-CG1 3.29Å; V54-V126 HydrophobicContact CB-CG2 3.96Å; V54-V126 HydrophobicContact CG1-CG2 3.86Å; A55-V126 HydrophobicContact CB-CB 4.45Å; A55-V126 HydrophobicContact CB-CG2 4.12Å; V126-A145 CarbonylContact O-C 3.52Å; V126-A145 WeakPolarHBondContact O-CA 3.38Å; V126-Y146 PolarHBondContact N-O 3.37Å; V126-Y146 PolarHBondContact O-N 3.1Å
127	R	97.5	Very high	95.4	Very high	49 Å²	49	74.8 Å²	74.8	19%	0.185	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	140	-178.7	-53.9	-175.5	-60.5	106.7	6.5	110.6	D40 N44 I125 F143 A145	D40-R127 IonicContact OD1-CZ 2.72Å; D40-R127 IonicContact OD1-NH1 3.66Å; D40-R127 PolarHBondContact OD1-NH1 3.46Å; D40-R127 IonicContact OD1-NH2 3.29Å; D40-R127 PolarHBondContact OD1-NH2 2.74Å; D40-R127 IonicContact OD2-NH1 3.7Å; D40-R127 PolarHBondContact OD2-NH1 3.2Å; N44-R127 PolarHBondContact ND2-O 3.31Å; N44-R127 PolarHBondContact OD1-N 3.21Å; I125-R127 HydrophobicContact CD1-CG 3.69Å; I125-R127 HydrophobicContact CG1-CG 3.85Å; R127-F143 HydrophobicContact CG-CE2 4.16Å; R127-F143 HydrophobicContact CG-CZ 4.43Å; R127-A145 HydrophobicContact CB-CB 4.49Å; R127-A145 HydrophobicContact CG-CB 4.04Å
128	Q	94.9	Very high	95.2	Very high	88 Å²	88	72.5 Å²	72.5	41%	0.411	38%	0.381	S	S	.	.			trans	-133.6	36.6	173.8	-70.7	-168.7	-50.2	0	0	110.7	I144	Q128-I144 HydrophobicContact CB-CG2 3.89Å; Q128-I144 PolarHBondContact N-O 2.72Å; Q128-I144 WeakPolarHBondContact O-CG2 3.08Å
129	A	96.1	Very high	95.4	Very high	9 Å²	9	65.7 Å²	65.7	7%	0.074	35%	0.354	C	S	.	.			trans	-60.6	149.9	180	0	0	0	0	0	111.8	L141 L142 F143	A129-L141 HydrophobicContact CB-CD1 3.83Å; A129-L141 HydrophobicContact CB-CD2 3.86Å; A129-L141 HydrophobicContact CB-CG 3.84Å; A129-L142 CarbonylContact C-O 3.54Å; A129-L142 WeakPolarHBondContact CA-O 3.12Å; A129-F143 HydrophobicContact CB-CD2 4.29Å
130	Q	96.4	Very high	95.5	Very high	72 Å²	72	64.6 Å²	64.6	34%	0.336	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.8	176.7	-66.7	-67.5	-79	0	0	110.3	W27 L142	W27-Q130 PolarHBondContact O-OE1 2.94Å; Q130-L142 PolarHBondContact N-O 3.34Å; Q130-L142 PolarHBondContact O-N 3.27Å
131	P	97.9	Very high	95.6	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.4	141.1	158.1	-30.9	36.3	0	0	0	112.2	G26 W27 L35 G140	G26-P131 WeakPolarHBondContact CA-O 3.49Å; W27-P131 HydrophobicContact CD2-CB 4.09Å; W27-P131 HydrophobicContact CH2-CB 4.45Å; W27-P131 HydrophobicContact CZ2-CB 3.85Å; W27-P131 PolarHBondContact N-O 2.61Å; W27-P131 VanDerWaalsContact O-CD 3.32Å; W27-P131 WeakPolarHBondContact O-CD 3.32Å; L35-P131 HydrophobicContact CD2-CB 4.18Å; L35-P131 HydrophobicContact CG-CB 4.02Å; P131-G140 WeakPolarHBondContact CA-O 3.23Å
132	Y	97.7	Very high	95.8	Very high	12 Å²	12	53.8 Å²	53.8	5%	0.047	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	168.5	170.2	82.8	-71.1	0	0	0	111	I24 W27 K69 W70 V71 A139 G140 L141 L142	I24-Y132 HydrophobicContact CG2-CD2 3.47Å; I24-Y132 VanDerWaalsContact CG2-CD2 3.47Å; I24-Y132 HydrophobicContact CG2-CE2 4.42Å; I24-Y132 HydrophobicContact CG2-CG 3.67Å; W27-Y132 VanDerWaalsContact CZ3-C 3.44Å; K69-Y132 HydrophobicContact CD-CE2 4.06Å; K69-Y132 HydrophobicContact CG-CE1 4.11Å; K69-Y132 HydrophobicContact CG-CE2 3.91Å; K69-Y132 VanDerWaalsContact CG-CZ 3.41Å; K69-Y132 WeakPolarHBondContact CG-OH 3.34Å; W70-Y132 WeakPolarHBondContact O-CE1 3.33Å; W70-Y132 PolarHBondContact O-OH 2.79Å; V71-Y132 WeakPolarHBondContact CG2-OH 3.36Å; Y132-A139 WeakPolarHBondContact O-CA 3.3Å; Y132-G140 PolarHBondContact N-O 3.46Å; Y132-G140 PolarHBondContact O-N 3.34Å; Y132-L141 VanDerWaalsContact CD1-C 3.5Å; Y132-L141 VanDerWaalsContact CE1-C 3.44Å; Y132-L142 HydrophobicContact CD1-CB 3.83Å; Y132-L142 VanDerWaalsContact CD1-N 3.25Å; Y132-L142 HydrophobicContact CE1-CB 4.48Å; Y132-L142 HydrophobicContact CG-CB 4.24Å
133	G	96	Very high	96.1	Very high	27 Å²	27	48 Å²	48	28%	0.278	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.1	-166.9	169.6	0	0	0	0	0	114.2	G138	G133-G138 VanDerWaalsContact CA-O 3.29Å; G133-G138 WeakPolarHBondContact CA-O 3.31Å
134	T	94.9	Very high	96.1	Very high	78 Å²	78	47.1 Å²	47.1	48%	0.479	27%	0.274	S	S	.	.			trans	-133.6	156	-177.6	66.4	0	0	0	0	110.9	S136 G137 G138	T134-S136 VanDerWaalsContact C-N 3.29Å; T134-S136 PolarHBondContact O-N 2.91Å; T134-S136 PolarHBondContact OG1-OG 2.84Å; T134-G137 CarbonylContact O-C 3.55Å; T134-G137 PolarHBondContact O-N 2.8Å; T134-G137 PolarHBondContact OG1-N 3.34Å; T134-G137 VanDerWaalsContact OG1-N 3.09Å; T134-G138 PolarHBondContact N-O 2.67Å
135	L	90.3	Very high	96.2	Very high	175 Å²	175	41.6 Å²	41.6	92%	0.916	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.7	174.6	-68.3	175.6	0	0	0	113	G137	L135-G137 VanDerWaalsContact C-N 3.32Å
136	S	92.6	Very high	96.2	Very high	122 Å²	122	43.2 Å²	43.2	85%	0.853	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.8	176.9	54.6	0	0	0	0	113.5	T134	T134-S136 VanDerWaalsContact C-N 3.29Å; T134-S136 PolarHBondContact O-N 2.91Å; T134-S136 PolarHBondContact OG1-OG 2.84Å
137	G	90.8	Very high	96.2	Very high	48 Å²	48	43.1 Å²	43.1	50%	0.495	26%	0.257	S	S	.	.	S	Bend	trans	-131.3	-150.2	-175.4	0	0	0	0	0	112.3	T134 L135	T134-G137 CarbonylContact O-C 3.55Å; T134-G137 PolarHBondContact O-N 2.8Å; T134-G137 PolarHBondContact OG1-N 3.34Å; T134-G137 VanDerWaalsContact OG1-N 3.09Å; L135-G137 VanDerWaalsContact C-N 3.32Å
138	G	93.8	Very high	96.2	Very high	40 Å²	40	41.8 Å²	41.8	41%	0.412	26%	0.257	S	S	.	.			trans	-81	136.6	172.5	0	0	0	0	0	111.1	G133 T134	G133-G138 VanDerWaalsContact CA-O 3.29Å; G133-G138 WeakPolarHBondContact CA-O 3.31Å; T134-G138 PolarHBondContact N-O 2.67Å
139	A	97.7	Very high	96.4	Very high	13 Å²	13	40.7 Å²	40.7	11%	0.107	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.6	170.1	0	0	0	0	0	110.4	L35 H72 Y132	L35-A139 HydrophobicContact CD1-CB 3.73Å; H72-A139 PolarHBondContact N-O 2.98Å; Y132-A139 WeakPolarHBondContact O-CA 3.3Å
140	G	97.9	Very high	96.4	Very high	0 Å²	0	43 Å²	43	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-133.6	177.4	0	0	0	0	0	112.3	W70 H72 P131 Y132	W70-G140 WeakPolarHBondContact O-CA 3.3Å; H72-G140 VanDerWaalsContact CD2-CA 3.46Å; H72-G140 WeakPolarHBondContact CD2-CA 3.33Å; P131-G140 WeakPolarHBondContact CA-O 3.23Å; Y132-G140 PolarHBondContact N-O 3.46Å; Y132-G140 PolarHBondContact O-N 3.34Å
141	L	98.1	Very high	96.4	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.073	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.8	-174.1	-167.5	74.8	0	0	0	111	D34 W70 A129 Y132 F143	D34-L141 HydrophobicContact CB-CD1 3.88Å; W70-L141 HydrophobicContact CB-CB 4.38Å; W70-L141 WeakPolarHBondContact CB-O 3.05Å; W70-L141 PolarHBondContact N-O 3.17Å; W70-L141 PolarHBondContact O-N 3.27Å; W70-L141 VanDerWaalsContact O-N 3.09Å; A129-L141 HydrophobicContact CB-CD1 3.83Å; A129-L141 HydrophobicContact CB-CD2 3.86Å; A129-L141 HydrophobicContact CB-CG 3.84Å; Y132-L141 VanDerWaalsContact CD1-C 3.5Å; Y132-L141 VanDerWaalsContact CE1-C 3.44Å; L141-F143 PolarHBondContact O-N 3.36Å
142	L	97.6	Very high	96.4	Very high	35 Å²	35	44.7 Å²	44.7	18%	0.183	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	96.7	164.9	-177.5	65.9	0	0	0	106.3	I24 V67 A129 Q130 Y132	I24-L142 HydrophobicContact CB-CD2 4.05Å; I24-L142 HydrophobicContact CD1-CD1 3.97Å; I24-L142 HydrophobicContact CG2-CD2 3.91Å; V67-L142 HydrophobicContact CG1-CD1 4.27Å; A129-L142 CarbonylContact C-O 3.54Å; A129-L142 WeakPolarHBondContact CA-O 3.12Å; Q130-L142 PolarHBondContact N-O 3.34Å; Q130-L142 PolarHBondContact O-N 3.27Å; Y132-L142 HydrophobicContact CD1-CB 3.83Å; Y132-L142 VanDerWaalsContact CD1-N 3.25Å; Y132-L142 HydrophobicContact CE1-CB 4.48Å; Y132-L142 HydrophobicContact CG-CB 4.24Å
143	F	98	Very high	96.4	Very high	29 Å²	29	44.3 Å²	44.3	13%	0.127	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	124.9	179	177.7	-90.8	0	0	0	109.5	V66 V67 Q68 I125 R127 A129 L141 A145	V66-F143 HydrophobicContact CB-CE1 4.35Å; V66-F143 HydrophobicContact CG1-CD1 4.29Å; V66-F143 HydrophobicContact CG1-CE1 4.09Å; V67-F143 CarbonylContact C-O 3.4Å; V67-F143 VanDerWaalsContact CA-O 3.29Å; V67-F143 WeakPolarHBondContact CA-O 3.37Å; Q68-F143 HydrophobicContact CB-CB 4.23Å; Q68-F143 HydrophobicContact CB-CD1 4.37Å; Q68-F143 PolarHBondContact N-O 3.39Å; Q68-F143 PolarHBondContact O-N 3.35Å; I125-F143 HydrophobicContact CD1-CZ 4.18Å; R127-F143 HydrophobicContact CG-CE2 4.16Å; R127-F143 HydrophobicContact CG-CZ 4.43Å; A129-F143 HydrophobicContact CB-CD2 4.29Å; L141-F143 PolarHBondContact O-N 3.36Å; F143-A145 HydrophobicContact CE1-CB 3.56Å; F143-A145 HydrophobicContact CE2-CB 4.27Å; F143-A145 HydrophobicContact CZ-CB 3.42Å; F143-A145 VanDerWaalsContact CZ-CB 3.42Å
144	I	97.2	Very high	96.4	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.195	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.9	163.5	-177.3	166.2	0	0	0	108.5	V66 V67 Q128 Y146	V66-I144 WeakPolarHBondContact O-CA 3.39Å; V67-I144 HydrophobicContact CG2-CB 4.38Å; V67-I144 HydrophobicContact CG2-CD1 3.96Å; V67-I144 HydrophobicContact CG2-CG1 3.97Å; Q128-I144 HydrophobicContact CB-CG2 3.89Å; Q128-I144 PolarHBondContact N-O 2.72Å; Q128-I144 WeakPolarHBondContact O-CG2 3.08Å; I144-Y146 HydrophobicContact CD1-CE2 4.2Å; I144-Y146 VanDerWaalsContact CD1-OH 3.29Å; I144-Y146 WeakPolarHBondContact CD1-OH 3.48Å; I144-Y146 HydrophobicContact CG1-CE2 4.02Å
145	A	98.2	Very high	96.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.5	175.8	0	0	0	0	0	111.6	A65 V66 I125 V126 R127 F143 F153	A65-A145 CarbonylContact C-O 3.51Å; A65-A145 WeakPolarHBondContact CA-O 3.29Å; A65-A145 VanDerWaalsContact CB-O 3.29Å; A65-A145 WeakPolarHBondContact CB-O 3.38Å; V66-A145 PolarHBondContact N-O 3Å; V66-A145 PolarHBondContact O-N 3.1Å; I125-A145 HydrophobicContact CD1-CB 3.9Å; V126-A145 CarbonylContact O-C 3.52Å; V126-A145 WeakPolarHBondContact O-CA 3.38Å; R127-A145 HydrophobicContact CB-CB 4.49Å; R127-A145 HydrophobicContact CG-CB 4.04Å; F143-A145 HydrophobicContact CE1-CB 3.56Å; F143-A145 HydrophobicContact CE2-CB 4.27Å; F143-A145 HydrophobicContact CZ-CB 3.42Å; F143-A145 VanDerWaalsContact CZ-CB 3.42Å; A145-F153 HydrophobicContact CB-CE1 3.8Å; A145-F153 HydrophobicContact CB-CZ 4.32Å; A145-F153 WeakPolarHBondContact O-CZ 3.26Å
146	Y	98.5	Very high	96.9	Very high	52 Å²	52	36.5 Å²	36.5	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	-177	-58	-89.7	0	0	0	110.7	Y64 A65 I125 V126 I144 F186	Y64-Y146 CarbonylContact O-C 3.37Å; Y64-Y146 VanDerWaalsContact O-CA 3.29Å; Y64-Y146 WeakPolarHBondContact O-CA 3.1Å; A65-Y146 HydrophobicContact CB-CD1 3.87Å; A65-Y146 HydrophobicContact CB-CE1 4.06Å; I125-Y146 CarbonylContact C-O 3.48Å; I125-Y146 WeakPolarHBondContact CA-O 3.44Å; V126-Y146 PolarHBondContact N-O 3.37Å; V126-Y146 PolarHBondContact O-N 3.1Å; I144-Y146 HydrophobicContact CD1-CE2 4.2Å; I144-Y146 VanDerWaalsContact CD1-OH 3.29Å; I144-Y146 WeakPolarHBondContact CD1-OH 3.48Å; I144-Y146 HydrophobicContact CG1-CE2 4.02Å; Y146-F186 HydrophobicContact CD1-CD2 4.24Å; Y146-F186 HydrophobicContact CD1-CE2 4.31Å; Y146-F186 AromaticContact CE1-CD2 3.87Å; Y146-F186 HydrophobicContact CE1-CD2 3.87Å; Y146-F186 AromaticContact CE1-CE2 3.63Å; Y146-F186 HydrophobicContact CE1-CE2 3.63Å; Y146-F186 HydrophobicContact CE1-CZ 4.49Å
147	A	98.4	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.5	179.5	0	0	0	0	0	111.3	A55 Y64 I125 D149 N152 F153	A55-A147 CarbonylContact O-C 3.58Å; Y64-A147 PolarHBondContact N-O 3.14Å; Y64-A147 PolarHBondContact O-N 2.83Å; I125-A147 HydrophobicContact CG2-CB 3.85Å; A147-D149 WeakPolarHBondContact CB-O 3.26Å; A147-D149 PolarHBondContact O-N 3.35Å; A147-N152 HydrophobicContact CB-CB 4.01Å; A147-F153 HydrophobicContact CB-CD2 4.21Å; A147-F153 HydrophobicContact CB-CE1 4.19Å; A147-F153 HydrophobicContact CB-CE2 3.56Å; A147-F153 HydrophobicContact CB-CZ 3.55Å
148	A	98	Very high	97.5	Very high	21 Å²	21	33.5 Å²	33.5	17%	0.174	19%	0.185	C	C	.	.	S	Bend	trans	-67.4	-20.5	174.8	0	0	0	0	0	113.3	V54 A55 I56 N57	V54-A148 WeakPolarHBondContact O-CB 3.17Å; V54-A148 PolarHBondContact O-N 3Å; A55-A148 WeakPolarHBondContact O-CA 3.45Å; A55-A148 PolarHBondContact O-N 3.04Å; I56-A148 WeakPolarHBondContact O-CB 3.35Å; N57-A148 WeakPolarHBondContact CB-O 3.2Å; N57-A148 PolarHBondContact ND2-O 2.8Å
149	D	97.4	Very high	97.7	Very high	66 Å²	66	33 Å²	33	35%	0.353	17%	0.17	S	C	.	.	S	Bend	trans	-146.4	142.1	-177.5	-159.7	-59.8	0	0	0	110.6	A147 D151 N152	A147-D149 WeakPolarHBondContact CB-O 3.26Å; A147-D149 PolarHBondContact O-N 3.35Å; D149-D151 PolarHBondContact O-N 3.09Å; D149-D151 WeakPolarHBondContact OD1-CB 3.36Å; D149-D151 PolarHBondContact OD1-N 3.36Å; D149-N152 WeakPolarHBondContact O-CB 3.49Å; D149-N152 PolarHBondContact O-N 3.05Å; D149-N152 PolarHBondContact O-ND2 2.88Å
150	I	96.5	Very high	97.7	Very high	58 Å²	58	33 Å²	33	30%	0.297	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.2	178.6	-163.7	167.5	0	0	0	112.5	Y64 N152 F153 N154 Y183	Y64-I150 HydrophobicContact CD1-CB 4.29Å; Y64-I150 HydrophobicContact CG-CB 4.45Å; I150-N152 PolarHBondContact O-N 3.14Å; I150-N152 VanDerWaalsContact O-N 3.13Å; I150-F153 PolarHBondContact O-N 2.8Å; I150-N154 PolarHBondContact O-N 3.48Å; I150-Y183 HydrophobicContact CD1-CD1 3.94Å; I150-Y183 HydrophobicContact CD1-CE1 4Å; I150-Y183 HydrophobicContact CG1-CD1 4.1Å; I150-Y183 HydrophobicContact CG1-CE1 3.79Å
151	D	97	Very high	97.7	Very high	87 Å²	87	35.7 Å²	35.7	47%	0.465	19%	0.185	S	C	.	.	H	α-helix	trans	-60.1	-26.6	178.3	-77.8	-13.2	0	0	0	112.7	Y123 D149 F153 F155	Y123-D151 HydrophobicContact CE1-CB 4.43Å; D149-D151 PolarHBondContact O-N 3.09Å; D149-D151 WeakPolarHBondContact OD1-CB 3.36Å; D149-D151 PolarHBondContact OD1-N 3.36Å; D151-F153 VanDerWaalsContact C-N 3.33Å; D151-F153 PolarHBondContact O-N 2.88Å; D151-F155 WeakPolarHBondContact O-CB 3.46Å; D151-F155 PolarHBondContact O-N 2.71Å
152	N	97.9	Very high	97.6	Very high	23 Å²	23	35.4 Å²	35.4	12%	0.123	19%	0.185	C	C	.	.	H	α-helix	trans	-62.1	-42.2	173.4	-63.6	-71.1	0	0	0	111.4	Y123 R124 I125 A147 D149 I150 M156	Y123-N152 WeakPolarHBondContact CB-OD1 3.47Å; Y123-N152 HydrophobicContact CD1-CB 4.46Å; Y123-N152 WeakPolarHBondContact CD1-OD1 3.5Å; R124-N152 PolarHBondContact N-OD1 3.47Å; R124-N152 PolarHBondContact O-OD1 2.72Å; I125-N152 HydrophobicContact CG2-CB 3.76Å; A147-N152 HydrophobicContact CB-CB 4.01Å; D149-N152 WeakPolarHBondContact O-CB 3.49Å; D149-N152 PolarHBondContact O-N 3.05Å; D149-N152 PolarHBondContact O-ND2 2.88Å; I150-N152 PolarHBondContact O-N 3.14Å; I150-N152 VanDerWaalsContact O-N 3.13Å; N152-M156 WeakPolarHBondContact O-CG 3.46Å; N152-M156 PolarHBondContact O-N 3.39Å
153	F	97.9	Very high	97.6	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.022	20%	0.204	C	C	.	.	H	α-helix	trans	-74.5	-43.3	178.1	-62.7	-55.2	0	0	0	111.6	V66 I125 A145 A147 I150 D151 F155 M156 L157 Y183	V66-F153 HydrophobicContact CB-CD1 4.23Å; V66-F153 HydrophobicContact CB-CE1 4.21Å; V66-F153 HydrophobicContact CB-CG 4.43Å; V66-F153 HydrophobicContact CB-CZ 4.37Å; V66-F153 HydrophobicContact CG2-CB 4.03Å; V66-F153 HydrophobicContact CG2-CD1 3.84Å; V66-F153 HydrophobicContact CG2-CD2 3.63Å; V66-F153 HydrophobicContact CG2-CE1 4.16Å; V66-F153 HydrophobicContact CG2-CE2 3.95Å; V66-F153 HydrophobicContact CG2-CG 3.56Å; V66-F153 HydrophobicContact CG2-CZ 4.21Å; I125-F153 HydrophobicContact CB-CE1 4.2Å; I125-F153 HydrophobicContact CD1-CE1 4.2Å; I125-F153 HydrophobicContact CG2-CD1 4.02Å; I125-F153 HydrophobicContact CG2-CE1 3.73Å; I125-F153 HydrophobicContact CG2-CZ 4.41Å; A145-F153 HydrophobicContact CB-CE1 3.8Å; A145-F153 HydrophobicContact CB-CZ 4.32Å; A145-F153 WeakPolarHBondContact O-CZ 3.26Å; A147-F153 HydrophobicContact CB-CD2 4.21Å; A147-F153 HydrophobicContact CB-CE1 4.19Å; A147-F153 HydrophobicContact CB-CE2 3.56Å; A147-F153 HydrophobicContact CB-CZ 3.55Å; I150-F153 PolarHBondContact O-N 2.8Å; D151-F153 VanDerWaalsContact C-N 3.33Å; D151-F153 PolarHBondContact O-N 2.88Å; F153-F155 VanDerWaalsContact C-N 3.33Å; F153-F155 PolarHBondContact O-N 3.1Å; F153-M156 PolarHBondContact O-N 3.46Å; F153-M156 VanDerWaalsContact O-N 3.14Å; F153-L157 WeakPolarHBondContact O-CB 3.45Å; F153-L157 WeakPolarHBondContact O-CG 3.26Å; F153-L157 PolarHBondContact O-N 2.87Å; F153-Y183 HydrophobicContact CB-CE1 3.84Å; F153-Y183 HydrophobicContact CD2-CE1 4.03Å; F153-Y183 HydrophobicContact CG-CE1 4.24Å
154	N	96.2	Very high	97.5	Very high	57 Å²	57	39.3 Å²	39.3	31%	0.305	21%	0.205	S	C	.	.	H	α-helix	trans	-55.8	-49.1	178.1	-68	-23.3	0	0	0	110.8	I150 M156 L157 D158 Y183	I150-N154 PolarHBondContact O-N 3.48Å; N154-M156 PolarHBondContact O-N 3.42Å; N154-L157 PolarHBondContact O-N 2.94Å; N154-D158 VanDerWaalsContact O-CB 3.27Å; N154-D158 WeakPolarHBondContact O-CB 3.48Å; N154-D158 VanDerWaalsContact O-CG 3.26Å; N154-D158 PolarHBondContact O-N 3.45Å; N154-Y183 PolarHBondContact OD1-OH 2.73Å
155	F	97.7	Very high	97.3	Very high	45 Å²	45	41.4 Å²	41.4	20%	0.197	24%	0.236	C	C	.	.	H	α-helix	trans	-54.8	-51.4	175.3	172.2	-97.3	0	0	0	111.9	Y123 D151 F153 R159	Y123-F155 HydrophobicContact CD2-CB 3.62Å; Y123-F155 AromaticContact CD2-CD1 3.35Å; Y123-F155 HydrophobicContact CD2-CD1 3.35Å; Y123-F155 AromaticContact CD2-CD2 3.69Å; Y123-F155 HydrophobicContact CD2-CD2 3.69Å; Y123-F155 AromaticContact CD2-CE1 3.88Å; Y123-F155 HydrophobicContact CD2-CE1 3.88Å; Y123-F155 HydrophobicContact CD2-CE2 4.17Å; Y123-F155 AromaticContact CD2-CG 3.23Å; Y123-F155 HydrophobicContact CD2-CG 3.23Å; Y123-F155 HydrophobicContact CD2-CZ 4.25Å; Y123-F155 HydrophobicContact CE2-CB 3.73Å; Y123-F155 HydrophobicContact CE2-CD1 4.05Å; Y123-F155 AromaticContact CE2-CD2 3.47Å; Y123-F155 HydrophobicContact CE2-CD2 3.47Å; Y123-F155 VanDerWaalsContact CE2-CD2 3.47Å; Y123-F155 HydrophobicContact CE2-CE2 4.06Å; Y123-F155 AromaticContact CE2-CG 3.46Å; Y123-F155 HydrophobicContact CE2-CG 3.46Å; Y123-F155 VanDerWaalsContact CE2-CG 3.46Å; Y123-F155 HydrophobicContact CG-CB 4.08Å; Y123-F155 HydrophobicContact CG-CD1 4.06Å; Y123-F155 HydrophobicContact CG-CG 4.09Å; D151-F155 WeakPolarHBondContact O-CB 3.46Å; D151-F155 PolarHBondContact O-N 2.71Å; F153-F155 VanDerWaalsContact C-N 3.33Å; F153-F155 PolarHBondContact O-N 3.1Å; F155-R159 HydrophobicContact CD2-CG 4.36Å; F155-R159 HydrophobicContact CE1-CG 4.24Å; F155-R159 HydrophobicContact CE2-CG 4.07Å; F155-R159 HydrophobicContact CZ-CG 4.01Å; F155-R159 WeakPolarHBondContact O-CB 3.45Å; F155-R159 WeakPolarHBondContact O-CG 3.27Å; F155-R159 PolarHBondContact O-N 2.9Å; F155-R159 VanDerWaalsContact O-N 3.1Å
156	M	98	Very high	97.2	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.069	25%	0.251	C	S	.	.	H	α-helix	trans	-65.9	-42.8	-176.3	-70.1	-179.2	-172.2	0	0	112	M111 I125 N152 F153 N154 R159 M160	M111-M156 HydrophobicContact CE-CB 3.9Å; M111-M156 HydrophobicContact CE-CG 4.37Å; M111-M156 HydrophobicContact SD-CB 3.85Å; M111-M156 HydrophobicContact SD-CG 3.89Å; M111-M156 HydrophobicContact SD-SD 3.87Å; I125-M156 HydrophobicContact CD1-CE 4.37Å; I125-M156 HydrophobicContact CD1-SD 3.53Å; I125-M156 VanDerWaalsContact CD1-SD 3.53Å; I125-M156 HydrophobicContact CG1-CE 4.11Å; I125-M156 HydrophobicContact CG1-SD 3.94Å; I125-M156 HydrophobicContact CG2-CE 4.09Å; I125-M156 HydrophobicContact CG2-SD 4.11Å; N152-M156 WeakPolarHBondContact O-CG 3.46Å; N152-M156 PolarHBondContact O-N 3.39Å; F153-M156 PolarHBondContact O-N 3.46Å; F153-M156 VanDerWaalsContact O-N 3.14Å; N154-M156 PolarHBondContact O-N 3.42Å; M156-R159 WeakPolarHBondContact O-CB 3.32Å; M156-R159 PolarHBondContact O-N 3.31Å; M156-M160 VanDerWaalsContact O-CG 3.26Å; M156-M160 WeakPolarHBondContact O-CG 3.44Å; M156-M160 PolarHBondContact O-N 2.85Å
157	L	97.8	Very high	97.2	Very high	32 Å²	32	48.5 Å²	48.5	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-72.6	-37.2	-179	-68.2	173.8	0	0	0	112.7	F153 N154 R159 M160 T161 Y183	F153-L157 WeakPolarHBondContact O-CB 3.45Å; F153-L157 WeakPolarHBondContact O-CG 3.26Å; F153-L157 PolarHBondContact O-N 2.87Å; N154-L157 PolarHBondContact O-N 2.94Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.21Å; L157-M160 HydrophobicContact CD2-SD 4.07Å; L157-M160 PolarHBondContact O-N 3.4Å; L157-M160 VanDerWaalsContact O-N 3.1Å; L157-T161 WeakPolarHBondContact O-CB 3.41Å; L157-T161 WeakPolarHBondContact O-CG2 3.07Å; L157-T161 PolarHBondContact O-N 3.17Å; L157-T161 PolarHBondContact O-OG1 3.08Å; L157-Y183 WeakPolarHBondContact CD1-OH 3.15Å
158	D	97.6	Very high	97.2	Very high	75 Å²	75	52.2 Å²	52.2	40%	0.401	29%	0.287	S	S	.	.	H	α-helix	trans	-63.5	-40.7	174.2	-77.2	-12.9	0	0	0	111.3	N154 M160 G162 H163 S164	N154-D158 VanDerWaalsContact O-CB 3.27Å; N154-D158 WeakPolarHBondContact O-CB 3.48Å; N154-D158 VanDerWaalsContact O-CG 3.26Å; N154-D158 PolarHBondContact O-N 3.45Å; D158-M160 VanDerWaalsContact C-N 3.33Å; D158-G162 PolarHBondContact O-N 2.86Å; D158-H163 HydrophobicContact CB-CB 4.13Å; D158-H163 PolarHBondContact O-N 2.78Å; D158-S164 PolarHBondContact O-N 3.19Å; D158-S164 VanDerWaalsContact O-N 3.15Å
159	R	97.8	Very high	97.2	Very high	28 Å²	28	55.3 Å²	55.3	11%	0.106	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-42.1	171.2	-68.6	-72.2	-59.5	153.2	-6.4	110.5	R110 F155 M156 L157 S164 D166	R110-R159 HydrophobicContact CB-CB 4.33Å; R110-R159 PolarHBondContact NE-O 2.9Å; R110-R159 VanDerWaalsContact NH1-NH1 3.15Å; R110-R159 PolarHBondContact NH2-O 3.37Å; F155-R159 HydrophobicContact CD2-CG 4.36Å; F155-R159 HydrophobicContact CE1-CG 4.24Å; F155-R159 HydrophobicContact CE2-CG 4.07Å; F155-R159 HydrophobicContact CZ-CG 4.01Å; F155-R159 WeakPolarHBondContact O-CB 3.45Å; F155-R159 WeakPolarHBondContact O-CG 3.27Å; F155-R159 PolarHBondContact O-N 2.9Å; F155-R159 VanDerWaalsContact O-N 3.1Å; M156-R159 WeakPolarHBondContact O-CB 3.32Å; M156-R159 PolarHBondContact O-N 3.31Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.21Å; R159-S164 PolarHBondContact NH1-OG 3.48Å; R159-D166 IonicContact CZ-OD2 3.07Å; R159-D166 IonicContact NH1-OD1 2.99Å; R159-D166 PolarHBondContact NH1-OD1 3.02Å; R159-D166 IonicContact NH1-OD2 2.68Å; R159-D166 PolarHBondContact NH1-OD2 2.96Å; R159-D166 IonicContact NH2-OD2 2.71Å
160	M	98.1	Very high	97.2	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.069	28%	0.284	C	S	.	.	H	α-helix	trans	-63.8	-47.1	-179.3	-75.6	172.5	71.8	0	0	112.4	W70 M111 M156 L157 D158 G162 N169 D170 I172 M173	W70-M160 HydrophobicContact CH2-CE 3.66Å; W70-M160 HydrophobicContact CZ2-CE 3.76Å; M111-M160 HydrophobicContact CE-CG 3.31Å; M111-M160 HydrophobicContact CE-SD 3.55Å; M111-M160 VanDerWaalsContact CE-SD 3.55Å; M111-M160 HydrophobicContact SD-SD 4.45Å; M156-M160 VanDerWaalsContact O-CG 3.26Å; M156-M160 WeakPolarHBondContact O-CG 3.44Å; M156-M160 PolarHBondContact O-N 2.85Å; L157-M160 HydrophobicContact CD2-SD 4.07Å; L157-M160 PolarHBondContact O-N 3.4Å; L157-M160 VanDerWaalsContact O-N 3.1Å; D158-M160 VanDerWaalsContact C-N 3.33Å; M160-G162 VanDerWaalsContact C-N 3.33Å; M160-G162 PolarHBondContact O-N 3.31Å; M160-N169 CarbonylContact O-C 3.58Å; M160-N169 WeakPolarHBondContact O-CA 3.25Å; M160-D170 HydrophobicContact CB-CB 4.1Å; M160-D170 HydrophobicContact CG-CB 4.04Å; M160-D170 WeakPolarHBondContact CG-OD2 3.44Å; M160-D170 PolarHBondContact O-N 3.46Å; M160-I172 HydrophobicContact CE-CG2 3.89Å; M160-M173 WeakPolarHBondContact O-CE 3.29Å
161	T	97.4	Very high	97.3	Very high	57 Å²	57	51 Å²	51	35%	0.35	28%	0.278	S	S	.	.	H	α-helix	trans	-88.9	2.1	-168.9	54.7	0	0	0	0	114	L157 H163	L157-T161 WeakPolarHBondContact O-CB 3.41Å; L157-T161 WeakPolarHBondContact O-CG2 3.07Å; L157-T161 PolarHBondContact O-N 3.17Å; L157-T161 PolarHBondContact O-OG1 3.08Å; T161-H163 VanDerWaalsContact C-N 3.32Å; T161-H163 WeakPolarHBondContact CB-ND1 3.47Å; T161-H163 PolarHBondContact OG1-ND1 3.44Å
162	G	97.1	Very high	97.4	Very high	8 Å²	8	48 Å²	48	8%	0.082	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	14.1	-179.3	0	0	0	0	0	114.4	D158 M160 S164 K167 K168 N169	D158-G162 PolarHBondContact O-N 2.86Å; M160-G162 VanDerWaalsContact C-N 3.33Å; M160-G162 PolarHBondContact O-N 3.31Å; G162-S164 VanDerWaalsContact C-N 3.3Å; G162-K167 WeakPolarHBondContact O-CA 2.93Å; G162-K167 VanDerWaalsContact O-CD 3.28Å; G162-K167 WeakPolarHBondContact O-CD 3.42Å; G162-K168 VanDerWaalsContact CA-O 3.26Å; G162-K168 WeakPolarHBondContact CA-O 3.39Å; G162-N169 WeakPolarHBondContact CA-OD1 3.24Å
163	H	97.4	Very high	97.4	Very high	125 Å²	125	50.1 Å²	50.1	58%	0.579	27%	0.272	S	S	*	.			trans	-76.1	-19.7	174.4	-69.4	96	0	0	0	112.6	D158 T161 K167	D158-H163 HydrophobicContact CB-CB 4.13Å; D158-H163 PolarHBondContact O-N 2.78Å; T161-H163 VanDerWaalsContact C-N 3.32Å; T161-H163 WeakPolarHBondContact CB-ND1 3.47Å; T161-H163 PolarHBondContact OG1-ND1 3.44Å; H163-K167 PolarHBondContact O-NZ 3.33Å
164	S	94.7	Very high	97.4	Very high	20 Å²	20	53.1 Å²	53.1	14%	0.14	29%	0.29	C	S	.	.	S	Bend	trans	-60.7	163	171.9	59.8	0	0	0	0	113.6	R110 D158 R159 G162 D166 K167	R110-S164 PolarHBondContact NH2-OG 2.82Å; R110-S164 VanDerWaalsContact NH2-OG 3.11Å; D158-S164 PolarHBondContact O-N 3.19Å; D158-S164 VanDerWaalsContact O-N 3.15Å; R159-S164 PolarHBondContact NH1-OG 3.48Å; G162-S164 VanDerWaalsContact C-N 3.3Å; S164-D166 PolarHBondContact O-N 3.11Å; S164-D166 VanDerWaalsContact O-N 3.08Å; S164-D166 PolarHBondContact OG-OD1 2.65Å; S164-K167 WeakPolarHBondContact O-CD 3.43Å; S164-K167 PolarHBondContact O-N 2.99Å
165	G	94.5	Very high	97.5	Very high	82 Å²	82	50.7 Å²	50.7	85%	0.845	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-25.9	-174.9	0	0	0	0	0	115.6
166	D	96.5	Very high	97.5	Very high	61 Å²	61	48.9 Å²	48.9	33%	0.326	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-9.7	178.7	72.2	-13.9	0	0	0	114.7	R110 R159 S164 K168	R110-D166 IonicContact CZ-OD1 3.87Å; R110-D166 IonicContact CZ-OD2 2.62Å; R110-D166 IonicContact NH1-OD1 3.78Å; R110-D166 IonicContact NH1-OD2 2.79Å; R110-D166 PolarHBondContact NH1-OD2 2.88Å; R110-D166 IonicContact NH2-OD1 2.87Å; R110-D166 PolarHBondContact NH2-OD1 3.49Å; R110-D166 VanDerWaalsContact NH2-OD1 3.1Å; R110-D166 IonicContact NH2-OD2 3.93Å; R159-D166 IonicContact CZ-OD2 3.07Å; R159-D166 IonicContact NH1-OD1 2.99Å; R159-D166 PolarHBondContact NH1-OD1 3.02Å; R159-D166 IonicContact NH1-OD2 2.68Å; R159-D166 PolarHBondContact NH1-OD2 2.96Å; R159-D166 IonicContact NH2-OD2 2.71Å; S164-D166 PolarHBondContact O-N 3.11Å; S164-D166 VanDerWaalsContact O-N 3.08Å; S164-D166 PolarHBondContact OG-OD1 2.65Å; D166-K168 HydrophobicContact CB-CG 4.48Å; D166-K168 PolarHBondContact O-N 3.49Å; D166-K168 VanDerWaalsContact O-N 3.11Å; D166-K168 PolarHBondContact OD1-N 3.48Å
167	K	97.3	Very high	97.5	Very high	140 Å²	140	57.1 Å²	57.1	61%	0.609	30%	0.3	S	S	*	.			trans	53.9	27.9	179.9	-54.6	-57.7	178.4	-167.7	0	115.1	G162 H163 S164	G162-K167 WeakPolarHBondContact O-CA 2.93Å; G162-K167 VanDerWaalsContact O-CD 3.28Å; G162-K167 WeakPolarHBondContact O-CD 3.42Å; H163-K167 PolarHBondContact O-NZ 3.33Å; S164-K167 WeakPolarHBondContact O-CD 3.43Å; S164-K167 PolarHBondContact O-N 2.99Å
168	K	97.9	Very high	97.6	Very high	78 Å²	78	57.9 Å²	57.9	34%	0.339	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-98.1	140.2	177.9	-70.8	-178.2	-177	-168.8	0	111.1	D104 T105 R110 G162 D166	D104-K168 VanDerWaalsContact CG-NZ 3.25Å; D104-K168 IonicContact OD1-NZ 3.21Å; D104-K168 PolarHBondContact OD1-NZ 3.4Å; D104-K168 IonicContact OD2-NZ 2.56Å; D104-K168 PolarHBondContact OD2-NZ 3.27Å; T105-K168 HydrophobicContact CG2-CB 4.12Å; T105-K168 HydrophobicContact CG2-CD 4.17Å; T105-K168 HydrophobicContact CG2-CG 4.41Å; R110-K168 PolarHBondContact NH2-O 2.94Å; G162-K168 VanDerWaalsContact CA-O 3.26Å; G162-K168 WeakPolarHBondContact CA-O 3.39Å; D166-K168 HydrophobicContact CB-CG 4.48Å; D166-K168 PolarHBondContact O-N 3.49Å; D166-K168 VanDerWaalsContact O-N 3.11Å; D166-K168 PolarHBondContact OD1-N 3.48Å
169	N	98	Very high	97.5	Very high	86 Å²	86	57.5 Å²	57.5	46%	0.46	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-93.5	157	177.1	-70.7	26.5	0	0	0	110.9	M160 G162 M173	M160-N169 CarbonylContact O-C 3.58Å; M160-N169 WeakPolarHBondContact O-CA 3.25Å; G162-N169 WeakPolarHBondContact CA-OD1 3.24Å; N169-M173 HydrophobicContact CB-CE 3.67Å
170	D	98.7	Very high	97.4	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-72.8	129.8	170.3	-160.9	-39.7	0	0	0	111.6	H107 R110 M160 I172 M173	H107-D170 VanDerWaalsContact CA-OD1 3.26Å; H107-D170 WeakPolarHBondContact CA-OD1 3.39Å; H107-D170 WeakPolarHBondContact CA-OD2 3.48Å; H107-D170 WeakPolarHBondContact CB-OD1 3.31Å; H107-D170 IonicContact CE1-OD2 3.6Å; H107-D170 IonicContact CG-OD1 3.55Å; H107-D170 IonicContact CG-OD2 3.52Å; H107-D170 PolarHBondContact N-OD1 2.72Å; H107-D170 IonicContact ND1-OD1 3.1Å; H107-D170 IonicContact ND1-OD2 3.91Å; H107-D170 PolarHBondContact ND1-OD2 2.73Å; R110-D170 HydrophobicContact CB-CB 4.49Å; R110-D170 WeakPolarHBondContact CB-OD2 3.3Å; R110-D170 HydrophobicContact CG-CB 3.75Å; R110-D170 WeakPolarHBondContact CG-OD2 3.28Å; M160-D170 HydrophobicContact CB-CB 4.1Å; M160-D170 HydrophobicContact CG-CB 4.04Å; M160-D170 WeakPolarHBondContact CG-OD2 3.44Å; M160-D170 PolarHBondContact O-N 3.46Å; D170-I172 HydrophobicContact CB-CG2 3.88Å; D170-I172 VanDerWaalsContact CG-CG2 3.4Å; D170-I172 PolarHBondContact O-N 2.93Å; D170-I172 WeakPolarHBondContact OD1-CB 3.33Å; D170-I172 WeakPolarHBondContact OD1-CG2 3.28Å; D170-I172 PolarHBondContact OD1-N 2.73Å; D170-M173 HydrophobicContact CB-CE 4.28Å; D170-M173 WeakPolarHBondContact O-CB 3.25Å; D170-M173 PolarHBondContact O-N 2.93Å; D170-M173 VanDerWaalsContact O-N 3.08Å
171	N	98.6	Very high	97.3	Very high	32 Å²	32	60.4 Å²	60.4	17%	0.171	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-65.9	-14.7	175.3	-72.2	-19	0	0	0	113.4	W88 T105 M173 V174	W88-N171 HydrophobicContact CB-CB 3.83Å; W88-N171 HydrophobicContact CG-CB 4.07Å; T105-N171 WeakPolarHBondContact CB-ND2 3.29Å; T105-N171 WeakPolarHBondContact CB-OD1 3.36Å; T105-N171 WeakPolarHBondContact O-CB 3.38Å; T105-N171 PolarHBondContact O-N 2.88Å; T105-N171 PolarHBondContact OG1-ND2 3.46Å; T105-N171 PolarHBondContact OG1-OD1 3.31Å; N171-M173 PolarHBondContact O-N 3.37Å; N171-M173 VanDerWaalsContact O-N 3.17Å; N171-V174 HydrophobicContact CB-CG2 4.29Å; N171-V174 WeakPolarHBondContact O-CB 3.37Å; N171-V174 VanDerWaalsContact O-CG2 3.25Å; N171-V174 WeakPolarHBondContact O-CG2 3.43Å; N171-V174 PolarHBondContact O-N 2.9Å
172	I	98.1	Very high	97.2	Very high	24 Å²	24	61.6 Å²	61.6	12%	0.123	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-56.9	-29.2	169.9	-157.6	170.6	0	0	0	111.4	I89 H107 M160 D170 V174 F175 S176	I89-I172 HydrophobicContact CD1-CG1 4.46Å; H107-I172 HydrophobicContact CB-CB 4.32Å; M160-I172 HydrophobicContact CE-CG2 3.89Å; D170-I172 HydrophobicContact CB-CG2 3.88Å; D170-I172 VanDerWaalsContact CG-CG2 3.4Å; D170-I172 PolarHBondContact O-N 2.93Å; D170-I172 WeakPolarHBondContact OD1-CB 3.33Å; D170-I172 WeakPolarHBondContact OD1-CG2 3.28Å; D170-I172 PolarHBondContact OD1-N 2.73Å; I172-V174 PolarHBondContact O-N 3.07Å; I172-F175 HydrophobicContact CG1-CE1 4.13Å; I172-F175 HydrophobicContact CG1-CZ 3.8Å; I172-F175 PolarHBondContact O-N 3.38Å; I172-S176 WeakPolarHBondContact O-CB 3.39Å; I172-S176 PolarHBondContact O-N 3.05Å
173	M	98.1	Very high	97.2	Very high	66 Å²	66	66 Å²	66	33%	0.325	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-75.3	-6.4	177.2	-63.8	-174.8	-64.2	0	0	113.8	W70 M160 N169 D170 N171 F175 S176	W70-M173 HydrophobicContact CH2-CG 4.41Å; W70-M173 HydrophobicContact CZ3-CG 4.19Å; M160-M173 WeakPolarHBondContact O-CE 3.29Å; N169-M173 HydrophobicContact CB-CE 3.67Å; D170-M173 HydrophobicContact CB-CE 4.28Å; D170-M173 WeakPolarHBondContact O-CB 3.25Å; D170-M173 PolarHBondContact O-N 2.93Å; D170-M173 VanDerWaalsContact O-N 3.08Å; N171-M173 PolarHBondContact O-N 3.37Å; N171-M173 VanDerWaalsContact O-N 3.17Å; M173-F175 VanDerWaalsContact C-N 3.3Å; M173-S176 WeakPolarHBondContact CA-O 3.46Å
174	V	98.2	Very high	97.2	Very high	68 Å²	68	66.6 Å²	66.6	41%	0.412	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-64.4	-38.7	171.7	173.4	0	0	0	0	110.5	L76 W88 N171 I172	L76-V174 HydrophobicContact CD2-CG1 4.05Å; L76-V174 WeakPolarHBondContact CD2-O 3.49Å; W88-V174 HydrophobicContact CD2-CG1 4.38Å; W88-V174 HydrophobicContact CH2-CG1 4.05Å; W88-V174 HydrophobicContact CZ2-CG1 3.57Å; N171-V174 HydrophobicContact CB-CG2 4.29Å; N171-V174 WeakPolarHBondContact O-CB 3.37Å; N171-V174 VanDerWaalsContact O-CG2 3.25Å; N171-V174 WeakPolarHBondContact O-CG2 3.43Å; N171-V174 PolarHBondContact O-N 2.9Å; I172-V174 PolarHBondContact O-N 3.07Å
175	F	98.1	Very high	97.3	Very high	7 Å²	7	69.1 Å²	69.1	3%	0.031	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-6.2	-177.2	70.3	-93.8	0	0	0	113.7	H72 N73 L76 L77 W88 I89 I172 M173	H72-F175 CarbonylContact C-O 3.59Å; H72-F175 VanDerWaalsContact CA-O 3.31Å; H72-F175 WeakPolarHBondContact CA-O 3.41Å; N73-F175 PolarHBondContact N-O 3.25Å; L76-F175 HydrophobicContact CD2-CB 4.06Å; L77-F175 HydrophobicContact CD1-CD2 3.93Å; L77-F175 HydrophobicContact CD1-CE2 4.43Å; L77-F175 HydrophobicContact CD2-CB 4.15Å; L77-F175 HydrophobicContact CD2-CD1 4.31Å; L77-F175 HydrophobicContact CD2-CD2 3.69Å; L77-F175 HydrophobicContact CD2-CE2 4.14Å; L77-F175 HydrophobicContact CD2-CG 3.79Å; L77-F175 HydrophobicContact CG-CB 4.24Å; L77-F175 HydrophobicContact CG-CD2 4.01Å; L77-F175 HydrophobicContact CG-CG 4.26Å; W88-F175 HydrophobicContact CD2-CD1 4.42Å; W88-F175 AromaticContact CE3-CD1 3.64Å; W88-F175 HydrophobicContact CE3-CD1 3.64Å; W88-F175 HydrophobicContact CE3-CE1 4.18Å; W88-F175 HydrophobicContact CZ3-CB 4.44Å; W88-F175 HydrophobicContact CZ3-CD1 4.1Å; I89-F175 HydrophobicContact CD1-CE1 3.96Å; I89-F175 HydrophobicContact CD1-CZ 3.89Å; I172-F175 HydrophobicContact CG1-CE1 4.13Å; I172-F175 HydrophobicContact CG1-CZ 3.8Å; I172-F175 PolarHBondContact O-N 3.38Å; M173-F175 VanDerWaalsContact C-N 3.3Å
176	S	98.3	Very high	97.4	Very high	6 Å²	6	69.6 Å²	69.6	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	134.8	-174.3	-165.8	0	0	0	0	112.1	W70 V71 H72 I172 M173	W70-S176 VanDerWaalsContact CE3-OG 3.31Å; V71-S176 WeakPolarHBondContact O-CA 3.46Å; H72-S176 PolarHBondContact CE1-OG 3.3Å; H72-S176 VanDerWaalsContact CE1-OG 3.25Å; H72-S176 PolarHBondContact ND1-OG 2.89Å; I172-S176 WeakPolarHBondContact O-CB 3.39Å; I172-S176 PolarHBondContact O-N 3.05Å; M173-S176 WeakPolarHBondContact CA-O 3.46Å
177	R	98.1	Very high	97.5	Very high	187 Å²	187	68.7 Å²	68.7	71%	0.706	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	126	177.9	179.4	178.6	173.9	176.4	-0.5	110.9	W70 V71 V179	W70-R177 CarbonylContact C-O 3.54Å; W70-R177 VanDerWaalsContact CA-O 3.31Å; W70-R177 WeakPolarHBondContact CA-O 3.32Å; W70-R177 VanDerWaalsContact CE3-C 3.43Å; V71-R177 PolarHBondContact N-O 3.3Å; V71-R177 PolarHBondContact O-N 3.27Å; R177-V179 HydrophobicContact CG-CG1 4.28Å; R177-V179 PolarHBondContact O-N 3.07Å
178	C	98	Very high	97.4	Very high	48 Å²	48	62.2 Å²	62.2	32%	0.324	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.4	168.3	-168.8	0	0	0	0	109.3	K69 W70 T180	K69-C178 WeakPolarHBondContact O-CA 3.1Å; W70-C178 HydrophobicContact CD2-CB 3.85Å; W70-C178 HydrophobicContact CE3-CB 3.84Å; W70-C178 HydrophobicContact CH2-CB 3.72Å; W70-C178 HydrophobicContact CZ2-CB 3.69Å; W70-C178 HydrophobicContact CZ3-CB 3.79Å; C178-T180 PolarHBondContact SG-O 2.92Å
179	V	96.9	Very high	97.2	Very high	68 Å²	68	64.9 Å²	64.9	41%	0.412	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-20.9	-179.4	-61.5	0	0	0	0	112.9	K69 V71 R177	K69-V179 HydrophobicContact CB-CG2 3.87Å; K69-V179 HydrophobicContact CD-CG2 4Å; K69-V179 HydrophobicContact CG-CG2 3.62Å; K69-V179 WeakPolarHBondContact O-CG2 3.39Å; K69-V179 PolarHBondContact O-N 2.88Å; V71-V179 HydrophobicContact CB-CG1 4.43Å; V71-V179 HydrophobicContact CG2-CG1 3.86Å; V71-V179 HydrophobicContact CG2-CG2 3.91Å; R177-V179 HydrophobicContact CG-CG1 4.28Å; R177-V179 PolarHBondContact O-N 3.07Å
180	T	96.2	Very high	97	Very high	55 Å²	55	67.1 Å²	67.1	34%	0.337	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.2	168.4	71.7	0	0	0	0	109.7	Q68 K69 C178	Q68-T180 VanDerWaalsContact CA-O 3.25Å; Q68-T180 WeakPolarHBondContact CA-O 3.19Å; K69-T180 HydrophobicContact CB-CG2 4.41Å; K69-T180 WeakPolarHBondContact CB-OG1 3.42Å; K69-T180 PolarHBondContact N-O 3.26Å; K69-T180 PolarHBondContact N-OG1 2.87Å; C178-T180 PolarHBondContact SG-O 2.92Å
181	G	95.8	Very high	96.7	Very high	48 Å²	48	70.2 Å²	70.2	50%	0.495	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	128	175.6	0	0	0	0	0	111	V67	V67-G181 CarbonylContact O-C 3.59Å; V67-G181 WeakPolarHBondContact O-CA 3.44Å
182	N	95.2	Very high	96.5	Very high	82 Å²	82	73.2 Å²	73.2	44%	0.439	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.6	-179.2	-60.5	-78.4	0	0	0	109.9	V66 V67 W184	V66-N182 WeakPolarHBondContact CA-O 3.01Å; V67-N182 PolarHBondContact N-O 3.43Å; V67-N182 PolarHBondContact O-N 3.39Å; N182-W184 HydrophobicContact CB-CZ2 4.37Å
183	Y	96.7	Very high	96.2	Very high	101 Å²	101	75.2 Å²	75.2	40%	0.396	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	142.9	165.4	-78.3	-90.6	0	0	0	109.7	A65 V66 I150 F153 N154 L157	A65-Y183 CarbonylContact O-C 3.6Å; A65-Y183 WeakPolarHBondContact O-CA 3.32Å; V66-Y183 HydrophobicContact CG2-CD1 3.39Å; V66-Y183 HydrophobicContact CG2-CE1 3.21Å; V66-Y183 HydrophobicContact CG2-CE2 4.45Å; V66-Y183 HydrophobicContact CG2-CG 4.11Å; I150-Y183 HydrophobicContact CD1-CD1 3.94Å; I150-Y183 HydrophobicContact CD1-CE1 4Å; I150-Y183 HydrophobicContact CG1-CD1 4.1Å; I150-Y183 HydrophobicContact CG1-CE1 3.79Å; F153-Y183 HydrophobicContact CB-CE1 3.84Å; F153-Y183 HydrophobicContact CD2-CE1 4.03Å; F153-Y183 HydrophobicContact CG-CE1 4.24Å; N154-Y183 PolarHBondContact OD1-OH 2.73Å; L157-Y183 WeakPolarHBondContact CD1-OH 3.15Å
184	W	97.1	Very high	95.9	Very high	136 Å²	136	76.3 Å²	76.3	52%	0.515	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	154.6	176.7	-59	90.4	0	0	0	109.9	Y64 A65 N182 F186	Y64-W184 WeakPolarHBondContact CA-O 3.34Å; A65-W184 HydrophobicContact CB-CB 4.29Å; A65-W184 PolarHBondContact N-O 3.08Å; A65-W184 PolarHBondContact O-N 3.32Å; N182-W184 HydrophobicContact CB-CZ2 4.37Å; W184-F186 HydrophobicContact CB-CE2 4.26Å
185	Y	97.7	Very high	95.4	Very high	74 Å²	74	78 Å²	78	29%	0.29	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.9	165.4	176.6	-105.6	0	0	0	108.6	T60 Y64 P187 E191	T60-Y185 WeakPolarHBondContact CB-OH 3.33Å; T60-Y185 PolarHBondContact OG1-OH 3Å; Y64-Y185 AromaticContact CD1-CD2 3.95Å; Y64-Y185 HydrophobicContact CD1-CD2 3.95Å; Y64-Y185 HydrophobicContact CD2-CD2 4.49Å; Y64-Y185 AromaticContact CE1-CD2 3.81Å; Y64-Y185 HydrophobicContact CE1-CD2 3.81Å; Y64-Y185 HydrophobicContact CE1-CE2 4.49Å; Y64-Y185 HydrophobicContact CE2-CD2 4.37Å; Y64-Y185 HydrophobicContact CE2-CE2 4.41Å; Y64-Y185 HydrophobicContact CG-CD2 4.29Å; Y185-P187 HydrophobicContact CE1-CB 4.04Å; Y185-E191 VanDerWaalsContact CE1-OE2 3.25Å; Y185-E191 WeakPolarHBondContact CE1-OE2 3.47Å; Y185-E191 PolarHBondContact OH-OE2 2.73Å
186	F	96.8	Very high	94.9	Very high	92 Å²	92	80.2 Å²	80.2	40%	0.404	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.5	173.6	-67.1	-75	0	0	0	108	G62 S63 A65 Y146 W184	G62-F186 CarbonylContact C-O 3.57Å; G62-F186 WeakPolarHBondContact CA-O 3.09Å; S63-F186 PolarHBondContact N-O 3.1Å; S63-F186 PolarHBondContact O-N 2.8Å; A65-F186 HydrophobicContact CB-CD2 3.89Å; A65-F186 HydrophobicContact CB-CE2 3.45Å; A65-F186 VanDerWaalsContact CB-CE2 3.45Å; Y146-F186 HydrophobicContact CD1-CD2 4.24Å; Y146-F186 HydrophobicContact CD1-CE2 4.31Å; Y146-F186 AromaticContact CE1-CD2 3.87Å; Y146-F186 HydrophobicContact CE1-CD2 3.87Å; Y146-F186 AromaticContact CE1-CE2 3.63Å; Y146-F186 HydrophobicContact CE1-CE2 3.63Å; Y146-F186 HydrophobicContact CE1-CZ 4.49Å; W184-F186 HydrophobicContact CB-CE2 4.26Å
187	P	96.8	Very high	94.2	Very high	41 Å²	41	89.4 Å²	89.4	27%	0.266	44%	0.438	S	S	.	.			trans	-65	150.4	-178.4	26.4	-34	0	0	0	111.5	Y185 E191 F192 L195	Y185-P187 HydrophobicContact CE1-CB 4.04Å; P187-E191 WeakPolarHBondContact CA-OE2 3.33Å; P187-E191 HydrophobicContact CB-CB 3.93Å; P187-E191 HydrophobicContact CB-CG 3.71Å; P187-E191 WeakPolarHBondContact CB-OE2 3.48Å; P187-F192 HydrophobicContact CB-CB 4.39Å; P187-F192 HydrophobicContact CG-CB 4.05Å; P187-F192 HydrophobicContact CG-CD2 4.03Å; P187-L195 HydrophobicContact CB-CD1 4.42Å; P187-L195 HydrophobicContact CG-CD1 4.27Å
188	G	96.1	Very high	93.1	Very high	5 Å²	5	86.8 Å²	86.8	5%	0.052	44%	0.438	C	S	.	.			trans	-65.3	162.1	170.1	0	0	0	0	0	111	G61 L190 E191 F192	G61-G188 VanDerWaalsContact O-CA 3.3Å; G61-G188 WeakPolarHBondContact O-CA 3.5Å; G188-L190 VanDerWaalsContact C-N 3.27Å; G188-L190 PolarHBondContact O-N 2.72Å; G188-E191 PolarHBondContact O-N 3.11Å; G188-F192 WeakPolarHBondContact O-CB 3.2Å; G188-F192 PolarHBondContact O-N 3.07Å
189	L	93.9	Very high	91.6	Very high	133 Å²	133	87.5 Å²	87.5	70%	0.696	44%	0.438	S	S	*	.	H	α-helix	trans	-55.8	-40	-175.7	-177.7	61.7	0	0	0	113.2	N193	L189-N193 WeakPolarHBondContact O-CB 3.26Å; L189-N193 PolarHBondContact O-N 3.21Å; L189-N193 PolarHBondContact O-ND2 3Å
190	L	92.9	Very high	90	Very high	134 Å²	134	88.7 Å²	88.7	70%	0.702	45%	0.447	S	S	*	.	H	α-helix	trans	-63.6	-48.4	177	178.2	61.1	0	0	0	111.5	G188 N193 L194	G188-L190 VanDerWaalsContact C-N 3.27Å; G188-L190 PolarHBondContact O-N 2.72Å; L190-N193 PolarHBondContact O-N 3.23Å; L190-L194 HydrophobicContact CD1-CD1 4.48Å; L190-L194 HydrophobicContact CG-CD1 4.37Å; L190-L194 WeakPolarHBondContact O-CG 3.28Å; L190-L194 PolarHBondContact O-N 3.27Å; L190-L194 VanDerWaalsContact O-N 3.09Å
191	E	93.6	Very high	88.1	Confident	68 Å²	68	98.5 Å²	98.5	32%	0.318	48%	0.478	S	S	.	.	H	α-helix	trans	-62.9	-45	179.1	-177.6	177.2	-158.7	0	0	111.3	Y185 P187 G188 N193 L194 L195	Y185-E191 VanDerWaalsContact CE1-OE2 3.25Å; Y185-E191 WeakPolarHBondContact CE1-OE2 3.47Å; Y185-E191 PolarHBondContact OH-OE2 2.73Å; P187-E191 WeakPolarHBondContact CA-OE2 3.33Å; P187-E191 HydrophobicContact CB-CB 3.93Å; P187-E191 HydrophobicContact CB-CG 3.71Å; P187-E191 WeakPolarHBondContact CB-OE2 3.48Å; G188-E191 PolarHBondContact O-N 3.11Å; E191-N193 PolarHBondContact O-N 3.1Å; E191-L194 PolarHBondContact O-N 3.44Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 3.26Å
192	F	93.1	Very high	86.4	Confident	95 Å²	95	99.8 Å²	99.8	42%	0.417	49%	0.492	S	S	.	.	H	α-helix	trans	-58.5	-47.1	175.4	-176.7	-103	0	0	0	112	P187 G188 L194 L195 V196	P187-F192 HydrophobicContact CB-CB 4.39Å; P187-F192 HydrophobicContact CG-CB 4.05Å; P187-F192 HydrophobicContact CG-CD2 4.03Å; G188-F192 WeakPolarHBondContact O-CB 3.2Å; G188-F192 PolarHBondContact O-N 3.07Å; F192-L194 VanDerWaalsContact C-N 3.28Å; F192-L194 PolarHBondContact O-N 2.56Å; F192-L195 WeakPolarHBondContact O-CB 3.39Å; F192-L195 PolarHBondContact O-N 3.15Å; F192-L195 VanDerWaalsContact O-N 3.15Å; F192-V196 HydrophobicContact CD1-CG2 4.25Å; F192-V196 HydrophobicContact CE1-CG2 3.8Å; F192-V196 HydrophobicContact CE2-CG2 4.12Å; F192-V196 HydrophobicContact CZ-CG2 3.73Å; F192-V196 WeakPolarHBondContact O-CG2 3.46Å; F192-V196 PolarHBondContact O-N 2.89Å
193	N	92.6	Very high	84.6	Confident	65 Å²	65	99.7 Å²	99.7	35%	0.348	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-35.6	178.3	-76.1	-31.4	0	0	0	112.6	L189 L190 E191 R197	L189-N193 WeakPolarHBondContact O-CB 3.26Å; L189-N193 PolarHBondContact O-N 3.21Å; L189-N193 PolarHBondContact O-ND2 3Å; L190-N193 PolarHBondContact O-N 3.23Å; E191-N193 PolarHBondContact O-N 3.1Å; N193-R197 WeakPolarHBondContact O-CB 3.43Å; N193-R197 WeakPolarHBondContact O-CG 3.45Å; N193-R197 PolarHBondContact O-N 3.25Å
194	L	91.8	Very high	82.5	Confident	89 Å²	89	105.7 Å²	105.7	47%	0.466	51%	0.512	S	S	.	.	H	α-helix	trans	-68.5	-39.8	175	-69.9	170.2	0	0	0	111.8	L190 E191 F192 N198	L190-L194 HydrophobicContact CD1-CD1 4.48Å; L190-L194 HydrophobicContact CG-CD1 4.37Å; L190-L194 WeakPolarHBondContact O-CG 3.28Å; L190-L194 PolarHBondContact O-N 3.27Å; L190-L194 VanDerWaalsContact O-N 3.09Å; E191-L194 PolarHBondContact O-N 3.44Å; F192-L194 VanDerWaalsContact C-N 3.28Å; F192-L194 PolarHBondContact O-N 2.56Å; L194-N198 PolarHBondContact O-N 2.79Å; L194-N198 PolarHBondContact O-ND2 3.21Å; L194-N198 VanDerWaalsContact O-ND2 3.11Å
195	L	88.5	Confident	80.4	Confident	105 Å²	105	106 Å²	106	55%	0.55	52%	0.523	S	S	.	.	H	α-helix	trans	-61.4	-46.8	175.7	-70.2	169.9	0	0	0	111.6	P187 E191 F192 N198	P187-L195 HydrophobicContact CB-CD1 4.42Å; P187-L195 HydrophobicContact CG-CD1 4.27Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 3.26Å; F192-L195 WeakPolarHBondContact O-CB 3.39Å; F192-L195 PolarHBondContact O-N 3.15Å; F192-L195 VanDerWaalsContact O-N 3.15Å; L195-N198 PolarHBondContact O-N 2.99Å
196	V	85.9	Confident	79.6	Confident	52 Å²	52	107.6 Å²	107.6	32%	0.315	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-40	-178.8	177.4	0	0	0	0	111.9	F192 N198 L199 L205	F192-V196 HydrophobicContact CD1-CG2 4.25Å; F192-V196 HydrophobicContact CE1-CG2 3.8Å; F192-V196 HydrophobicContact CE2-CG2 4.12Å; F192-V196 HydrophobicContact CZ-CG2 3.73Å; F192-V196 WeakPolarHBondContact O-CG2 3.46Å; F192-V196 PolarHBondContact O-N 2.89Å; V196-N198 VanDerWaalsContact C-N 3.26Å; V196-N198 PolarHBondContact O-N 3.28Å; V196-L199 HydrophobicContact CG1-CD1 4.33Å; V196-L199 WeakPolarHBondContact O-CB 3.41Å; V196-L199 WeakPolarHBondContact O-CG 3.39Å; V196-L199 PolarHBondContact O-N 2.68Å; V196-L205 HydrophobicContact CG1-CD1 4.42Å; V196-L205 HydrophobicContact CG2-CD1 3.89Å
197	R	83.5	Confident	78.7	Confident	200 Å²	200	108.4 Å²	108.4	76%	0.755	54%	0.542	S	S	*	.	H	α-helix	trans	-65.8	-27.1	179.5	-76.9	175.1	-179.1	-174.2	1	113.8	N193 L199	N193-R197 WeakPolarHBondContact O-CB 3.43Å; N193-R197 WeakPolarHBondContact O-CG 3.45Å; N193-R197 PolarHBondContact O-N 3.25Å; R197-L199 VanDerWaalsContact C-N 3.33Å
198	N	75.9	Confident	77.7	Confident	132 Å²	132	112.1 Å²	112.1	71%	0.706	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	2.5	179.8	-70.6	-29.6	0	0	0	113.4	L194 L195 V196	L194-N198 PolarHBondContact O-N 2.79Å; L194-N198 PolarHBondContact O-ND2 3.21Å; L194-N198 VanDerWaalsContact O-ND2 3.11Å; L195-N198 PolarHBondContact O-N 2.99Å; V196-N198 VanDerWaalsContact C-N 3.26Å; V196-N198 PolarHBondContact O-N 3.28Å
199	L	67.4	Low	76.6	Confident	62 Å²	62	118.4 Å²	118.4	33%	0.325	59%	0.587	S	S	.	*	S	Bend	trans	-64.9	138.1	174.5	-70.1	169.9	0	0	0	110.4	V196 R197 R201 I203 L205	V196-L199 HydrophobicContact CG1-CD1 4.33Å; V196-L199 WeakPolarHBondContact O-CB 3.41Å; V196-L199 WeakPolarHBondContact O-CG 3.39Å; V196-L199 PolarHBondContact O-N 2.68Å; R197-L199 VanDerWaalsContact C-N 3.33Å; L199-R201 PolarHBondContact O-N 3.08Å; L199-I203 HydrophobicContact CB-CB 4.44Å; L199-I203 HydrophobicContact CD1-CG2 4.09Å; L199-I203 HydrophobicContact CD2-CD1 4.32Å; L199-L205 HydrophobicContact CD1-CD1 4.45Å
200	P	62	Low	75.5	Confident	93 Å²	93	117.5 Å²	117.5	60%	0.604	58%	0.58	S	S	*	*			trans	-51.2	139.2	173.4	-24.8	32.4	0	0	0	111	G202 I203	P200-G202 PolarHBondContact O-N 3.03Å; P200-I203 PolarHBondContact O-N 3.11Å
201	R	56	Low	74.3	Confident	261 Å²	261	116.4 Å²	116.4	99%	0.985	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	109	175.1	-66.8	-176	-171.2	169.4	3.2	108.7	L199	L199-R201 PolarHBondContact O-N 3.08Å
202	G	60.5	Low	73	Confident	76 Å²	76	119.9 Å²	119.9	78%	0.784	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	142.6	-23	-177.1	0	0	0	0	0	114.3	P200	P200-G202 PolarHBondContact O-N 3.03Å
203	I	57.9	Low	71.4	Confident	80 Å²	80	121.8 Å²	121.8	41%	0.41	60%	0.603	S	S	.	*			trans	-93.2	114.4	173.9	-57.6	176.5	0	0	0	108.2	L199 P200	L199-I203 HydrophobicContact CB-CB 4.44Å; L199-I203 HydrophobicContact CD1-CG2 4.09Å; L199-I203 HydrophobicContact CD2-CD1 4.32Å; P200-I203 PolarHBondContact O-N 3.11Å
204	R	51.7	Low	69.6	Low	227 Å²	227	126.5 Å²	126.5	86%	0.857	62%	0.624	S	S	*	*			trans	-108.5	125	167.9	-64.7	-172.3	-170.1	-157.8	3.5	107.5
205	L	54.5	Low	67.6	Low	141 Å²	141	129.9 Å²	129.9	74%	0.738	64%	0.639	S	S	*	*			trans	-82.7	0	164.8	-69.4	170.3	0	0	0	109.8	V196 L199	V196-L205 HydrophobicContact CG1-CD1 4.42Å; V196-L205 HydrophobicContact CG2-CD1 3.89Å; L199-L205 HydrophobicContact CD1-CD1 4.45Å

Retrieved 205 of 205 residues in 208.8 ms (Link to these results)

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