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Superoxide dismutase

Destroys radicals which are normally produced within the cells and which are toxic to biological systems. Destroys superoxide anion radicals which are normally produced within the cells and which are toxic to biological systems.

AlphaFold DB , UniProt , Accession A0A077ZM00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	73.5	Confident	95.1	Very high	175 Å²	175	70.3 Å²	70.3	86%	0.862	42%	0.419	S	S	*	.				0	170.2	0	-83.7	-176	-96.2	0	0	108.3	G50	M1-G50 CarbonylContact C-O 3.56Å; M1-G50 WeakPolarHBondContact CA-O 3.46Å; M1-G50 PolarHBondContact N-O 2.86Å; M1-G50 CarbonylContact O-C 3.4Å; M1-G50 VanDerWaalsContact O-CA 3.29Å; M1-G50 WeakPolarHBondContact O-CA 3.42Å
2	A	88.7	Confident	95.4	Very high	71 Å²	71	69.7 Å²	69.7	59%	0.587	40%	0.404	S	S	*	.			trans	-97.1	142	173.9	0	0	0	0	0	109.7
3	Y	97.7	Very high	95.7	Very high	20 Å²	20	72.6 Å²	72.6	8%	0.078	42%	0.418	C	S	.	.			trans	-65.4	147.3	171.7	-66.6	-74	0	0	0	110.3	V36 L39 N40 I43 L49 Q52 I54 L57 H79	Y3-V36 WeakPolarHBondContact O-CG1 3.08Å; Y3-L39 HydrophobicContact CD2-CD2 3.32Å; Y3-L39 HydrophobicContact CD2-CG 3.79Å; Y3-L39 HydrophobicContact CE2-CD2 3.63Å; Y3-L39 HydrophobicContact CE2-CG 4.08Å; Y3-L39 HydrophobicContact CG-CD2 3.85Å; Y3-N40 PolarHBondContact N-OD1 2.86Å; Y3-N40 PolarHBondContact O-ND2 3.18Å; Y3-I43 HydrophobicContact CD2-CD1 3.9Å; Y3-I43 HydrophobicContact CE2-CD1 3.74Å; Y3-L49 PolarHBondContact OH-O 2.88Å; Y3-L49 VanDerWaalsContact OH-O 3.06Å; Y3-Q52 VanDerWaalsContact CE1-O 3.31Å; Y3-Q52 WeakPolarHBondContact CE1-O 3.23Å; Y3-Q52 PolarHBondContact OH-O 3.29Å; Y3-I54 HydrophobicContact CD1-CB 4.3Å; Y3-I54 HydrophobicContact CE1-CB 3.99Å; Y3-I54 HydrophobicContact CE1-CD1 4.24Å; Y3-L57 HydrophobicContact CE2-CD2 3.99Å; Y3-L57 WeakPolarHBondContact OH-CD2 3.28Å; Y3-H79 AromaticContact CD1-CD2 3.93Å; Y3-H79 AromaticContact CD1-NE2 3.84Å
4	T	97.7	Very high	95.9	Very high	106 Å²	106	69.4 Å²	69.4	65%	0.65	40%	0.404	S	S	*	.			trans	-122.2	148	179.1	57.6	0	0	0	0	110.7	P6 H79	T4-P6 WeakPolarHBondContact O-CD 3.11Å; T4-H79 PolarHBondContact O-CE1 3.2Å
5	L	98.5	Very high	96.1	Very high	44 Å²	44	64.9 Å²	64.9	23%	0.23	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-63.8	118.3	167.5	-178.5	69.7	0	0	0	107.9	H32 N33	L5-H32 HydrophobicContact CD1-CB 3.75Å; L5-H32 VanDerWaalsContact CD1-CG 3.41Å; L5-H32 VanDerWaalsContact CD1-ND1 3.26Å; L5-H32 WeakPolarHBondContact CD1-ND1 3.47Å; L5-N33 HydrophobicContact CD1-CB 4.38Å; L5-N33 HydrophobicContact CD2-CB 3.97Å
6	P	98.3	Very high	96.2	Very high	38 Å²	38	65.8 Å²	65.8	25%	0.247	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-67.3	146.7	175.5	29	-35	0	0	0	109.6	T4 H28 H32	T4-P6 WeakPolarHBondContact O-CD 3.11Å; P6-H28 PolarHBondContact O-NE2 2.97Å; P6-H32 VanDerWaalsContact CD-CE1 3.42Å; P6-H32 WeakPolarHBondContact CD-CE1 3.45Å
7	D	98.4	Very high	96.3	Very high	150 Å²	150	66.6 Å²	66.6	80%	0.802	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-64.7	146.7	169.8	-65.3	-40.4	0	0	0	110.5
8	L	98.4	Very high	96.4	Very high	23 Å²	23	67.1 Å²	67.1	12%	0.12	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-62.9	136.9	170.5	-80.8	174.5	0	0	0	110.2	Y10 Y12 M24 H28 W86	L8-Y10 WeakPolarHBondContact CB-O 3.33Å; L8-Y10 HydrophobicContact CD2-CE2 4.42Å; L8-Y10 PolarHBondContact O-N 3.18Å; L8-Y10 VanDerWaalsContact O-N 3.11Å; L8-Y12 HydrophobicContact CD1-CD1 3.63Å; L8-Y12 HydrophobicContact CD1-CD2 4.45Å; L8-Y12 HydrophobicContact CD1-CE1 3.48Å; L8-Y12 VanDerWaalsContact CD1-CE1 3.48Å; L8-Y12 HydrophobicContact CD1-CE2 4.3Å; L8-Y12 HydrophobicContact CD1-CG 4.13Å; L8-M24 HydrophobicContact CD1-CE 3.99Å; L8-M24 HydrophobicContact CD2-CE 4.04Å; L8-H28 HydrophobicContact CD1-CB 4.11Å; L8-H28 HydrophobicContact CD2-CB 4.46Å; L8-H28 HydrophobicContact CG-CB 4.32Å; L8-W86 HydrophobicContact CD2-CB 3.93Å; L8-W86 HydrophobicContact CD2-CD2 3.73Å; L8-W86 HydrophobicContact CD2-CE3 3.93Å; L8-W86 HydrophobicContact CD2-CG 3.71Å
9	P	98.2	Very high	96.6	Very high	83 Å²	83	63.8 Å²	63.8	54%	0.539	36%	0.362	S	S	.	.	S	Bend	trans	-68.3	-6.3	176.9	-19	32.1	0	0	0	114.6	K87	P9-K87 HydrophobicContact CG-CG 4.49Å
10	Y	98.6	Very high	96.7	Very high	25 Å²	25	61.7 Å²	61.7	10%	0.098	35%	0.349	C	S	.	.	S	Bend	trans	-152.6	169.2	-174.6	43.3	-100.9	0	0	0	110.5	L8 A14 L15 M24 W86 M89	L8-Y10 WeakPolarHBondContact CB-O 3.33Å; L8-Y10 HydrophobicContact CD2-CE2 4.42Å; L8-Y10 PolarHBondContact O-N 3.18Å; L8-Y10 VanDerWaalsContact O-N 3.11Å; Y10-A14 HydrophobicContact CD2-CB 4Å; Y10-A14 HydrophobicContact CG-CB 4.23Å; Y10-L15 HydrophobicContact CD2-CD2 4.29Å; Y10-L15 HydrophobicContact CD2-CG 4.23Å; Y10-L15 HydrophobicContact CE2-CD1 3.72Å; Y10-L15 HydrophobicContact CE2-CD2 3.95Å; Y10-L15 HydrophobicContact CE2-CG 3.69Å; Y10-M24 HydrophobicContact CE2-CE 3.8Å; Y10-W86 WeakPolarHBondContact CE1-O 3.38Å; Y10-W86 PolarHBondContact OH-O 3.46Å; Y10-W86 VanDerWaalsContact OH-O 3.13Å; Y10-M89 WeakPolarHBondContact CE1-O 3.45Å
11	G	98.5	Very high	96.8	Very high	38 Å²	38	61.4 Å²	61.4	39%	0.392	35%	0.349	S	S	.	.			trans	-66	154.3	176.7	0	0	0	0	0	113	D13 A14	G11-D13 PolarHBondContact O-N 3.06Å; G11-D13 VanDerWaalsContact O-N 3.17Å; G11-A14 WeakPolarHBondContact O-CB 3.41Å; G11-A14 PolarHBondContact O-N 3.35Å
12	Y	98.7	Very high	98	Very high	63 Å²	63	58.8 Å²	58.8	25%	0.247	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-24.2	-178.2	-70.1	-93.5	0	0	0	113.8	L8 M24 H25 H28 D29	L8-Y12 HydrophobicContact CD1-CD1 3.63Å; L8-Y12 HydrophobicContact CD1-CD2 4.45Å; L8-Y12 HydrophobicContact CD1-CE1 3.48Å; L8-Y12 VanDerWaalsContact CD1-CE1 3.48Å; L8-Y12 HydrophobicContact CD1-CE2 4.3Å; L8-Y12 HydrophobicContact CD1-CG 4.13Å; Y12-M24 HydrophobicContact CD1-CB 3.96Å; Y12-M24 VanDerWaalsContact O-CB 3.31Å; Y12-M24 WeakPolarHBondContact O-CB 3.49Å; Y12-M24 VanDerWaalsContact O-CG 3.28Å; Y12-M24 WeakPolarHBondContact O-CG 3.22Å; Y12-H25 HydrophobicContact CD1-CB 4.29Å; Y12-H25 AromaticContact CD1-CE1 3.62Å; Y12-H25 AromaticContact CD1-CG 3.68Å; Y12-H25 AromaticContact CD1-ND1 3.44Å; Y12-H25 WeakPolarHBondContact CD1-ND1 3.47Å; Y12-H25 AromaticContact CD1-NE2 4Å; Y12-H25 AromaticContact CD2-CE1 3.46Å; Y12-H25 VanDerWaalsContact CD2-CE1 3.46Å; Y12-H25 WeakPolarHBondContact CD2-CE1 3.34Å; Y12-H25 AromaticContact CD2-NE2 3.91Å; Y12-H25 AromaticContact CE1-CE1 3.81Å; Y12-H25 AromaticContact CE1-CG 4Å; Y12-H25 AromaticContact CE1-ND1 3.4Å; Y12-H25 WeakPolarHBondContact CE1-ND1 3.4Å; Y12-H25 AromaticContact CE2-CE1 3.68Å; Y12-H25 AromaticContact CG-CE1 3.43Å; Y12-H25 VanDerWaalsContact CG-CE1 3.43Å; Y12-H25 AromaticContact CG-ND1 3.78Å; Y12-H25 AromaticContact CG-NE2 3.61Å; Y12-H25 AromaticContact CZ-CE1 3.84Å; Y12-H25 AromaticContact CZ-ND1 3.73Å; Y12-H28 HydrophobicContact CE1-CB 4.18Å; Y12-H28 PolarHBondContact OH-ND1 3.38Å; Y12-D29 WeakPolarHBondContact CE1-OD1 3.32Å; Y12-D29 VanDerWaalsContact OH-CG 3.27Å; Y12-D29 PolarHBondContact OH-OD1 3.49Å; Y12-D29 PolarHBondContact OH-OD2 3.11Å
13	D	98.6	Very high	98.4	Very high	108 Å²	108	55.4 Å²	55.4	58%	0.578	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-3.3	176.4	62.8	-20.9	0	0	0	113.2	G11 L15 E16 V21	G11-D13 PolarHBondContact O-N 3.06Å; G11-D13 VanDerWaalsContact O-N 3.17Å; D13-L15 PolarHBondContact O-N 2.91Å; D13-L15 VanDerWaalsContact O-N 3.12Å; D13-E16 WeakPolarHBondContact O-CB 3.4Å; D13-E16 WeakPolarHBondContact O-CG 3.32Å; D13-E16 PolarHBondContact O-N 2.66Å; D13-E16 VanDerWaalsContact O-N 3.11Å; D13-V21 HydrophobicContact CB-CB 4.28Å; D13-V21 HydrophobicContact CB-CG2 4.11Å
14	A	98.6	Very high	98.5	Very high	28 Å²	28	54.5 Å²	54.5	23%	0.231	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.8	-170.2	0	0	0	0	0	114	Y10 G11 P91	Y10-A14 HydrophobicContact CD2-CB 4Å; Y10-A14 HydrophobicContact CG-CB 4.23Å; G11-A14 WeakPolarHBondContact O-CB 3.41Å; G11-A14 PolarHBondContact O-N 3.35Å; A14-P91 HydrophobicContact CB-CB 4.05Å; A14-P91 HydrophobicContact CB-CG 4.27Å; A14-P91 WeakPolarHBondContact O-CB 3.23Å
15	L	98.7	Very high	98.5	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	4.8	178.4	-55.6	-169.8	0	0	0	113.4	Y10 D13 Y18 I19 M24 M89 V188	Y10-L15 HydrophobicContact CD2-CD2 4.29Å; Y10-L15 HydrophobicContact CD2-CG 4.23Å; Y10-L15 HydrophobicContact CE2-CD1 3.72Å; Y10-L15 HydrophobicContact CE2-CD2 3.95Å; Y10-L15 HydrophobicContact CE2-CG 3.69Å; D13-L15 PolarHBondContact O-N 2.91Å; D13-L15 VanDerWaalsContact O-N 3.12Å; L15-Y18 WeakPolarHBondContact O-CA 3.25Å; L15-Y18 WeakPolarHBondContact O-CB 3.41Å; L15-Y18 WeakPolarHBondContact O-CD2 3.49Å; L15-Y18 PolarHBondContact O-N 3.27Å; L15-I19 CarbonylContact C-O 3.47Å; L15-I19 HydrophobicContact CB-CB 4.15Å; L15-I19 HydrophobicContact CD1-CD1 4.05Å; L15-I19 PolarHBondContact O-N 3.48Å; L15-M24 HydrophobicContact CD1-CE 4.2Å; L15-M24 HydrophobicContact CD1-SD 3.98Å; L15-M89 HydrophobicContact CD1-CB 4.01Å; L15-M89 HydrophobicContact CD1-CE 3.97Å; L15-M89 HydrophobicContact CD1-SD 3.88Å; L15-M89 HydrophobicContact CD2-CB 4.45Å; L15-V188 HydrophobicContact CB-CG1 4.22Å; L15-V188 HydrophobicContact CD2-CB 4.19Å; L15-V188 HydrophobicContact CD2-CG1 4.09Å
16	E	98.5	Very high	98.5	Very high	79 Å²	79	54.5 Å²	54.5	37%	0.369	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	144.8	169.5	-70.4	-82	-166.5	0	0	110.4	D13 D20 V21 K173	D13-E16 WeakPolarHBondContact O-CB 3.4Å; D13-E16 WeakPolarHBondContact O-CG 3.32Å; D13-E16 PolarHBondContact O-N 2.66Å; D13-E16 VanDerWaalsContact O-N 3.11Å; E16-D20 VanDerWaalsContact OE1-CA 3.32Å; E16-D20 WeakPolarHBondContact OE1-CA 3.47Å; E16-V21 PolarHBondContact OE1-N 2.88Å; E16-V21 VanDerWaalsContact OE1-N 3.16Å; E16-K173 IonicContact OE2-NZ 3.54Å
17	P	97.8	Very high	98.6	Very high	81 Å²	81	52.8 Å²	52.8	53%	0.526	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91.6	21.2	4.7	39.2	-38.1	0	0	0	113.6	K173	P17-K173 WeakPolarHBondContact O-CE 3.36Å; P17-K173 PolarHBondContact O-NZ 3.02Å
18	Y	98.5	Very high	98.6	Very high	75 Å²	75	45.9 Å²	45.9	29%	0.294	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-40.3	-170.4	-46.9	-70.5	0	0	0	112.7	L15 Y174 A184 D187 V188	L15-Y18 WeakPolarHBondContact O-CA 3.25Å; L15-Y18 WeakPolarHBondContact O-CB 3.41Å; L15-Y18 WeakPolarHBondContact O-CD2 3.49Å; L15-Y18 PolarHBondContact O-N 3.27Å; Y18-Y174 WeakPolarHBondContact O-CE2 3.42Å; Y18-Y174 PolarHBondContact O-OH 2.97Å; Y18-A184 HydrophobicContact CD1-CB 4.27Å; Y18-D187 HydrophobicContact CD1-CB 3.61Å; Y18-D187 HydrophobicContact CD2-CB 4.06Å; Y18-D187 HydrophobicContact CE1-CB 3.3Å; Y18-D187 HydrophobicContact CE2-CB 3.75Å; Y18-D187 HydrophobicContact CG-CB 3.98Å; Y18-V188 HydrophobicContact CD2-CG1 3.38Å; Y18-V188 HydrophobicContact CE2-CG1 4.2Å; Y18-V188 HydrophobicContact CG-CG1 3.94Å
19	I	98.7	Very high	98.6	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	25%	0.254	C	S	.	.	S	Bend	trans	-126.3	125.1	170.7	-55.5	177.7	0	0	0	107.4	L15 T23 M24 M89 Y181	L15-I19 CarbonylContact C-O 3.47Å; L15-I19 HydrophobicContact CB-CB 4.15Å; L15-I19 HydrophobicContact CD1-CD1 4.05Å; L15-I19 PolarHBondContact O-N 3.48Å; I19-T23 HydrophobicContact CG2-CG2 4.06Å; I19-M24 HydrophobicContact CB-SD 4.34Å; I19-M24 HydrophobicContact CG2-CG 3.92Å; I19-M24 HydrophobicContact CG2-SD 3.68Å; I19-M89 HydrophobicContact CD1-CE 4.25Å; I19-M89 HydrophobicContact CD1-SD 3.57Å; I19-M89 VanDerWaalsContact CD1-SD 3.57Å; I19-Y181 HydrophobicContact CD1-CE2 4.39Å; I19-Y181 HydrophobicContact CG1-CE2 4.35Å
20	D	98.6	Very high	98.6	Very high	20 Å²	20	49.1 Å²	49.1	11%	0.107	26%	0.255	C	S	.	.			trans	-73	147.7	-174.7	59.1	-80	0	0	0	112.7	E16 E22 T23 M24 K173	E16-D20 VanDerWaalsContact OE1-CA 3.32Å; E16-D20 WeakPolarHBondContact OE1-CA 3.47Å; D20-E22 PolarHBondContact O-N 3.11Å; D20-T23 WeakPolarHBondContact O-CB 3.47Å; D20-T23 PolarHBondContact O-N 3.4Å; D20-T23 VanDerWaalsContact O-N 3.12Å; D20-T23 WeakPolarHBondContact OD1-CB 3.4Å; D20-T23 PolarHBondContact OD1-OG1 2.82Å; D20-T23 VanDerWaalsContact OD2-CB 3.31Å; D20-T23 WeakPolarHBondContact OD2-CB 3.4Å; D20-T23 PolarHBondContact OD2-N 3.3Å; D20-T23 PolarHBondContact OD2-OG1 3.41Å; D20-M24 PolarHBondContact O-N 2.86Å; D20-K173 HydrophobicContact CB-CB 4.49Å; D20-K173 HydrophobicContact CB-CD 4.29Å; D20-K173 WeakPolarHBondContact OD1-CB 3.45Å
21	V	98.6	Very high	98.6	Very high	56 Å²	56	51.1 Å²	51.1	34%	0.339	27%	0.265	S	S	.	.	H	α-helix	trans	-56.4	-35.3	-178.6	64.3	0	0	0	0	113.4	D13 E16 M24 H25	D13-V21 HydrophobicContact CB-CB 4.28Å; D13-V21 HydrophobicContact CB-CG2 4.11Å; E16-V21 PolarHBondContact OE1-N 2.88Å; E16-V21 VanDerWaalsContact OE1-N 3.16Å; V21-M24 PolarHBondContact O-N 3Å; V21-H25 PolarHBondContact O-CD2 3.21Å; V21-H25 PolarHBondContact O-N 3.2Å
22	E	98.6	Very high	98.7	Very high	120 Å²	120	49.3 Å²	49.3	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-67.5	-45.1	178.7	-172.5	177.3	-176.9	0	0	110.9	D20 M24 H25 L26 L172	D20-E22 PolarHBondContact O-N 3.11Å; E22-M24 VanDerWaalsContact C-N 3.35Å; E22-M24 PolarHBondContact O-N 3.34Å; E22-H25 PolarHBondContact O-N 3.48Å; E22-L26 HydrophobicContact CG-CD1 4.19Å; E22-L26 WeakPolarHBondContact O-CG 3.3Å; E22-L26 PolarHBondContact O-N 2.97Å; E22-L172 HydrophobicContact CB-CD1 4.19Å; E22-L172 HydrophobicContact CG-CD1 3.76Å
23	T	98.8	Very high	98.7	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-58.8	-45.4	172	-65.2	0	0	0	0	111	I19 D20 H25 L26 H27	I19-T23 HydrophobicContact CG2-CG2 4.06Å; D20-T23 WeakPolarHBondContact O-CB 3.47Å; D20-T23 PolarHBondContact O-N 3.4Å; D20-T23 VanDerWaalsContact O-N 3.12Å; D20-T23 WeakPolarHBondContact OD1-CB 3.4Å; D20-T23 PolarHBondContact OD1-OG1 2.82Å; D20-T23 VanDerWaalsContact OD2-CB 3.31Å; D20-T23 WeakPolarHBondContact OD2-CB 3.4Å; D20-T23 PolarHBondContact OD2-N 3.3Å; D20-T23 PolarHBondContact OD2-OG1 3.41Å; T23-H25 VanDerWaalsContact C-N 3.31Å; T23-H25 PolarHBondContact O-N 3.27Å; T23-L26 PolarHBondContact O-N 2.9Å; T23-H27 HydrophobicContact CG2-CB 4.48Å; T23-H27 WeakPolarHBondContact O-CB 3.3Å; T23-H27 PolarHBondContact O-N 2.89Å
24	M	98.8	Very high	98.7	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-42.5	178.3	-71.1	-59.6	-58.1	0	0	112.2	L8 Y10 Y12 L15 I19 D20 V21 E22 H28 W86	L8-M24 HydrophobicContact CD1-CE 3.99Å; L8-M24 HydrophobicContact CD2-CE 4.04Å; Y10-M24 HydrophobicContact CE2-CE 3.8Å; Y12-M24 HydrophobicContact CD1-CB 3.96Å; Y12-M24 VanDerWaalsContact O-CB 3.31Å; Y12-M24 WeakPolarHBondContact O-CB 3.49Å; Y12-M24 VanDerWaalsContact O-CG 3.28Å; Y12-M24 WeakPolarHBondContact O-CG 3.22Å; L15-M24 HydrophobicContact CD1-CE 4.2Å; L15-M24 HydrophobicContact CD1-SD 3.98Å; I19-M24 HydrophobicContact CB-SD 4.34Å; I19-M24 HydrophobicContact CG2-CG 3.92Å; I19-M24 HydrophobicContact CG2-SD 3.68Å; D20-M24 PolarHBondContact O-N 2.86Å; V21-M24 PolarHBondContact O-N 3Å; E22-M24 VanDerWaalsContact C-N 3.35Å; E22-M24 PolarHBondContact O-N 3.34Å; M24-H28 VanDerWaalsContact O-CB 3.24Å; M24-H28 WeakPolarHBondContact O-CB 3.48Å; M24-H28 PolarHBondContact O-N 3.08Å; M24-W86 HydrophobicContact CE-CE3 4.18Å; M24-W86 HydrophobicContact CE-CZ3 3.97Å; M24-W86 HydrophobicContact SD-CZ3 4.33Å
25	H	98.7	Very high	98.7	Very high	79 Å²	79	47.7 Å²	47.7	37%	0.366	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-48.5	174.9	-87.2	-63.3	0	0	0	112.6	Y12 V21 E22 T23 D29	Y12-H25 HydrophobicContact CD1-CB 4.29Å; Y12-H25 AromaticContact CD1-CE1 3.62Å; Y12-H25 AromaticContact CD1-CG 3.68Å; Y12-H25 AromaticContact CD1-ND1 3.44Å; Y12-H25 WeakPolarHBondContact CD1-ND1 3.47Å; Y12-H25 AromaticContact CD1-NE2 4Å; Y12-H25 AromaticContact CD2-CE1 3.46Å; Y12-H25 VanDerWaalsContact CD2-CE1 3.46Å; Y12-H25 WeakPolarHBondContact CD2-CE1 3.34Å; Y12-H25 AromaticContact CD2-NE2 3.91Å; Y12-H25 AromaticContact CE1-CE1 3.81Å; Y12-H25 AromaticContact CE1-CG 4Å; Y12-H25 AromaticContact CE1-ND1 3.4Å; Y12-H25 WeakPolarHBondContact CE1-ND1 3.4Å; Y12-H25 AromaticContact CE2-CE1 3.68Å; Y12-H25 AromaticContact CG-CE1 3.43Å; Y12-H25 VanDerWaalsContact CG-CE1 3.43Å; Y12-H25 AromaticContact CG-ND1 3.78Å; Y12-H25 AromaticContact CG-NE2 3.61Å; Y12-H25 AromaticContact CZ-CE1 3.84Å; Y12-H25 AromaticContact CZ-ND1 3.73Å; V21-H25 PolarHBondContact O-CD2 3.21Å; V21-H25 PolarHBondContact O-N 3.2Å; E22-H25 PolarHBondContact O-N 3.48Å; T23-H25 VanDerWaalsContact C-N 3.31Å; T23-H25 PolarHBondContact O-N 3.27Å; H25-D29 IonicContact CE1-OD2 3.93Å; H25-D29 IonicContact CG-OD2 3.85Å; H25-D29 IonicContact ND1-OD2 2.93Å; H25-D29 PolarHBondContact ND1-OD2 2.91Å; H25-D29 WeakPolarHBondContact O-CA 3.25Å; H25-D29 WeakPolarHBondContact O-CB 3.24Å; H25-D29 PolarHBondContact O-N 3.43Å
26	L	98.8	Very high	98.7	Very high	70 Å²	70	47.9 Å²	47.9	37%	0.366	24%	0.24	S	C	.	.	I	π-helix	trans	-65.7	-45.5	-178.9	-69.3	169	0	0	0	111.3	E22 T23 K30 H31 L172	E22-L26 HydrophobicContact CG-CD1 4.19Å; E22-L26 WeakPolarHBondContact O-CG 3.3Å; E22-L26 PolarHBondContact O-N 2.97Å; T23-L26 PolarHBondContact O-N 2.9Å; L26-K30 HydrophobicContact CD2-CG 4.2Å; L26-K30 WeakPolarHBondContact O-CA 3.42Å; L26-K30 WeakPolarHBondContact O-CB 3.4Å; L26-K30 PolarHBondContact O-N 3.17Å; L26-K30 VanDerWaalsContact O-N 3.09Å; L26-H31 PolarHBondContact O-CD2 3.37Å; L26-H31 VanDerWaalsContact O-CD2 3.29Å; L26-H31 PolarHBondContact O-N 2.86Å; L26-L172 HydrophobicContact CD1-CD1 3.62Å
27	H	98.9	Very high	98.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	25%	0.245	C	C	.	.	I	π-helix	trans	-68.2	-41.9	-174.3	-160.2	177.9	0	0	0	111.5	T23 H31 H32 H82 F85 W86 D164 H168	T23-H27 HydrophobicContact CG2-CB 4.48Å; T23-H27 WeakPolarHBondContact O-CB 3.3Å; T23-H27 PolarHBondContact O-N 2.89Å; H27-H31 WeakPolarHBondContact O-CB 3.42Å; H27-H32 PolarHBondContact O-N 3.02Å; H27-H82 AromaticContact CD2-CD2 3.46Å; H27-H82 PolarHBondContact CD2-CD2 3.42Å; H27-H82 VanDerWaalsContact CD2-CD2 3.46Å; H27-H82 AromaticContact CD2-NE2 3.34Å; H27-H82 PolarHBondContact CD2-NE2 3.43Å; H27-H82 VanDerWaalsContact CD2-NE2 3.34Å; H27-H82 AromaticContact NE2-CD2 3.22Å; H27-H82 PolarHBondContact NE2-CD2 3.4Å; H27-H82 AromaticContact NE2-NE2 2.97Å; H27-H82 PolarHBondContact NE2-NE2 3.05Å; H27-F85 AromaticContact CE1-CE1 3.85Å; H27-W86 HydrophobicContact CB-CH2 3.88Å; H27-W86 AromaticContact CD2-CH2 3.77Å; H27-W86 AromaticContact CE1-CH2 3.93Å; H27-W86 AromaticContact CG-CH2 3.5Å; H27-W86 VanDerWaalsContact CG-CH2 3.5Å; H27-W86 AromaticContact ND1-CH2 3.62Å; H27-D164 IonicContact CE1-OD2 3.71Å; H27-D164 PolarHBondContact CE1-OD2 2.85Å; H27-D164 IonicContact NE2-OD2 3.84Å; H27-D164 PolarHBondContact NE2-OD2 2.87Å; H27-H168 AromaticContact CD2-CD2 3.52Å; H27-H168 AromaticContact CD2-NE2 3.58Å; H27-H168 AromaticContact CE1-CD2 3.93Å; H27-H168 AromaticContact CE1-NE2 3.98Å; H27-H168 AromaticContact CG-CD2 3.99Å; H27-H168 AromaticContact NE2-CD2 3.48Å; H27-H168 PolarHBondContact NE2-CD2 3.03Å; H27-H168 AromaticContact NE2-NE2 3.24Å; H27-H168 PolarHBondContact NE2-NE2 3.34Å
28	H	98.9	Very high	98.7	Very high	5 Å²	5	47.4 Å²	47.4	2%	0.023	24%	0.238	C	C	.	.	I	π-helix	trans	-79.8	-59.5	175.6	-178.6	-94.5	0	0	0	112.8	P6 L8 Y12 M24 K30 H32 N33 W86	P6-H28 PolarHBondContact O-NE2 2.97Å; L8-H28 HydrophobicContact CD1-CB 4.11Å; L8-H28 HydrophobicContact CD2-CB 4.46Å; L8-H28 HydrophobicContact CG-CB 4.32Å; Y12-H28 HydrophobicContact CE1-CB 4.18Å; Y12-H28 PolarHBondContact OH-ND1 3.38Å; M24-H28 VanDerWaalsContact O-CB 3.24Å; M24-H28 WeakPolarHBondContact O-CB 3.48Å; M24-H28 PolarHBondContact O-N 3.08Å; H28-K30 VanDerWaalsContact C-N 3.32Å; H28-K30 PolarHBondContact O-N 3.29Å; H28-H32 WeakPolarHBondContact O-CB 3.24Å; H28-N33 PolarHBondContact O-N 3.5Å; H28-W86 HydrophobicContact CB-CZ2 4.16Å; H28-W86 AromaticContact CD2-CE2 3.99Å; H28-W86 AromaticContact CD2-NE1 3.69Å
29	D	98.6	Very high	98.7	Very high	45 Å²	45	43.8 Å²	43.8	24%	0.241	22%	0.224	C	C	.	.	I	π-helix	trans	-76.2	-21.9	-167	-54.5	-23.6	0	0	0	112.9	Y12 H25 N33	Y12-D29 WeakPolarHBondContact CE1-OD1 3.32Å; Y12-D29 VanDerWaalsContact OH-CG 3.27Å; Y12-D29 PolarHBondContact OH-OD1 3.49Å; Y12-D29 PolarHBondContact OH-OD2 3.11Å; H25-D29 IonicContact CE1-OD2 3.93Å; H25-D29 IonicContact CG-OD2 3.85Å; H25-D29 IonicContact ND1-OD2 2.93Å; H25-D29 PolarHBondContact ND1-OD2 2.91Å; H25-D29 WeakPolarHBondContact O-CA 3.25Å; H25-D29 WeakPolarHBondContact O-CB 3.24Å; H25-D29 PolarHBondContact O-N 3.43Å; D29-N33 VanDerWaalsContact O-CB 3.25Å; D29-N33 WeakPolarHBondContact O-CB 3.39Å
30	K	98.7	Very high	98.7	Very high	130 Å²	130	45.3 Å²	45.3	57%	0.565	23%	0.232	S	C	*	.	I	π-helix	trans	-110.3	-61.7	-179.7	-50.2	-60.3	179.1	-170.1	0	112	L26 H28 T34	L26-K30 HydrophobicContact CD2-CG 4.2Å; L26-K30 WeakPolarHBondContact O-CA 3.42Å; L26-K30 WeakPolarHBondContact O-CB 3.4Å; L26-K30 PolarHBondContact O-N 3.17Å; L26-K30 VanDerWaalsContact O-N 3.09Å; H28-K30 VanDerWaalsContact C-N 3.32Å; H28-K30 PolarHBondContact O-N 3.29Å; K30-T34 VanDerWaalsContact O-CB 3.31Å; K30-T34 WeakPolarHBondContact O-CB 3.44Å; K30-T34 PolarHBondContact O-N 2.94Å; K30-T34 PolarHBondContact O-OG1 2.67Å
31	H	98.8	Very high	98.7	Very high	66 Å²	66	47 Å²	47	31%	0.306	25%	0.249	S	C	.	.	I	π-helix	trans	-66.2	-55.5	-173.1	-71.6	-88.1	0	0	0	111.6	L26 H27 N33 T34 Y35 H168	L26-H31 PolarHBondContact O-CD2 3.37Å; L26-H31 VanDerWaalsContact O-CD2 3.29Å; L26-H31 PolarHBondContact O-N 2.86Å; H27-H31 WeakPolarHBondContact O-CB 3.42Å; H31-N33 PolarHBondContact O-N 2.97Å; H31-T34 PolarHBondContact O-N 3.2Å; H31-Y35 VanDerWaalsContact O-CD2 3.22Å; H31-Y35 WeakPolarHBondContact O-CD2 3.42Å; H31-Y35 PolarHBondContact O-N 3.21Å; H31-H168 AromaticContact CE1-CG 3.66Å; H31-H168 AromaticContact CE1-ND1 3.65Å; H31-H168 AromaticContact ND1-CG 3.81Å; H31-H168 AromaticContact ND1-ND1 3.56Å; H31-H168 AromaticContact NE2-CG 3.88Å
32	H	98.9	Very high	98.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-61.5	-44.9	178.8	-171.3	-168.9	0	0	0	112	L5 P6 H27 H28 T34 Y35 V36 H79 H82 S83 W86	L5-H32 HydrophobicContact CD1-CB 3.75Å; L5-H32 VanDerWaalsContact CD1-CG 3.41Å; L5-H32 VanDerWaalsContact CD1-ND1 3.26Å; L5-H32 WeakPolarHBondContact CD1-ND1 3.47Å; P6-H32 VanDerWaalsContact CD-CE1 3.42Å; P6-H32 WeakPolarHBondContact CD-CE1 3.45Å; H27-H32 PolarHBondContact O-N 3.02Å; H28-H32 WeakPolarHBondContact O-CB 3.24Å; H32-T34 VanDerWaalsContact C-N 3.27Å; H32-T34 PolarHBondContact O-N 3.33Å; H32-Y35 WeakPolarHBondContact O-CB 3.22Å; H32-Y35 PolarHBondContact O-N 2.99Å; H32-Y35 VanDerWaalsContact O-N 3.11Å; H32-V36 PolarHBondContact O-N 2.95Å; H32-V36 VanDerWaalsContact O-N 3.09Å; H32-H79 AromaticContact CD2-ND1 3.86Å; H32-H79 AromaticContact CE1-ND1 3.84Å; H32-H79 AromaticContact NE2-CE1 3.82Å; H32-H79 AromaticContact NE2-CG 3.94Å; H32-H79 AromaticContact NE2-ND1 2.92Å; H32-H79 PolarHBondContact NE2-ND1 2.83Å; H32-H79 PolarHBondContact NE2-O 2.68Å; H32-H82 HydrophobicContact CB-CB 4.02Å; H32-S83 PolarHBondContact CE1-OG 3.42Å; H32-S83 VanDerWaalsContact CE1-OG 3.24Å; H32-S83 PolarHBondContact NE2-OG 3.47Å; H32-W86 HydrophobicContact CB-CZ2 4.47Å; H32-W86 AromaticContact CE1-NE1 3.66Å; H32-W86 AromaticContact CG-NE1 3.93Å; H32-W86 AromaticContact ND1-CD1 3.79Å; H32-W86 AromaticContact ND1-NE1 3.03Å; H32-W86 PolarHBondContact ND1-NE1 3.24Å
33	N	98.7	Very high	98.6	Very high	64 Å²	64	39.7 Å²	39.7	34%	0.342	21%	0.214	S	C	.	.	H	α-helix	trans	-60	-35.7	178.2	-170.9	38	0	0	0	113.3	L5 H28 D29 H31 V36 T37	L5-N33 HydrophobicContact CD1-CB 4.38Å; L5-N33 HydrophobicContact CD2-CB 3.97Å; H28-N33 PolarHBondContact O-N 3.5Å; D29-N33 VanDerWaalsContact O-CB 3.25Å; D29-N33 WeakPolarHBondContact O-CB 3.39Å; H31-N33 PolarHBondContact O-N 2.97Å; N33-V36 PolarHBondContact O-N 3.44Å; N33-T37 WeakPolarHBondContact O-CB 3.42Å; N33-T37 PolarHBondContact O-N 2.81Å; N33-T37 PolarHBondContact O-OG1 2.86Å
34	T	98.8	Very high	98.5	Very high	71 Å²	71	47 Å²	47	44%	0.436	25%	0.248	S	C	.	.	H	α-helix	trans	-64.1	-41.6	176.5	-62	0	0	0	0	111.1	K30 H31 H32 T37 N38	K30-T34 VanDerWaalsContact O-CB 3.31Å; K30-T34 WeakPolarHBondContact O-CB 3.44Å; K30-T34 PolarHBondContact O-N 2.94Å; K30-T34 PolarHBondContact O-OG1 2.67Å; H31-T34 PolarHBondContact O-N 3.2Å; H32-T34 VanDerWaalsContact C-N 3.27Å; H32-T34 PolarHBondContact O-N 3.33Å; T34-T37 PolarHBondContact O-N 3.41Å; T34-N38 WeakPolarHBondContact O-CB 3.36Å; T34-N38 PolarHBondContact O-N 2.97Å; T34-N38 PolarHBondContact O-ND2 3.43Å
35	Y	98.8	Very high	98.3	Very high	31 Å²	31	54.2 Å²	54.2	12%	0.122	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-45.3	174.5	-64.2	-51.8	0	0	0	111.8	H31 H32 T37 N38 L39 H82 Q149	H31-Y35 VanDerWaalsContact O-CD2 3.22Å; H31-Y35 WeakPolarHBondContact O-CD2 3.42Å; H31-Y35 PolarHBondContact O-N 3.21Å; H32-Y35 WeakPolarHBondContact O-CB 3.22Å; H32-Y35 PolarHBondContact O-N 2.99Å; H32-Y35 VanDerWaalsContact O-N 3.11Å; Y35-T37 PolarHBondContact O-N 3.01Å; Y35-N38 PolarHBondContact O-N 3.01Å; Y35-L39 VanDerWaalsContact O-CB 3.23Å; Y35-L39 WeakPolarHBondContact O-CB 3.45Å; Y35-L39 PolarHBondContact O-N 3.37Å; Y35-H82 AromaticContact CD2-CE1 3.95Å; Y35-H82 AromaticContact CD2-ND1 4Å; Y35-H82 AromaticContact CE2-CE1 3.47Å; Y35-H82 VanDerWaalsContact CE2-CE1 3.47Å; Y35-H82 WeakPolarHBondContact CE2-CE1 3.1Å; Y35-H82 AromaticContact CE2-ND1 3.96Å; Y35-Q149 HydrophobicContact CE1-CG 4.09Å; Y35-Q149 HydrophobicContact CE2-CG 4.5Å; Y35-Q149 PolarHBondContact OH-NE2 3.46Å
36	V	98.7	Very high	98.2	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.03	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-46.9	176.4	175	0	0	0	0	111.2	Y3 H32 N33 L39 N40 H79	Y3-V36 WeakPolarHBondContact O-CG1 3.08Å; H32-V36 PolarHBondContact O-N 2.95Å; H32-V36 VanDerWaalsContact O-N 3.09Å; N33-V36 PolarHBondContact O-N 3.44Å; V36-L39 PolarHBondContact O-N 3.47Å; V36-N40 PolarHBondContact O-N 3.16Å; V36-N40 PolarHBondContact O-ND2 3.03Å; V36-H79 HydrophobicContact CG2-CB 4.37Å; V36-H79 WeakPolarHBondContact CG2-ND1 3.29Å
37	T	98.5	Very high	98	Very high	77 Å²	77	54 Å²	54	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-61.8	-48.9	-179.3	-60.3	0	0	0	0	111.3	N33 T34 Y35 N40 A41	N33-T37 WeakPolarHBondContact O-CB 3.42Å; N33-T37 PolarHBondContact O-N 2.81Å; N33-T37 PolarHBondContact O-OG1 2.86Å; T34-T37 PolarHBondContact O-N 3.41Å; Y35-T37 PolarHBondContact O-N 3.01Å; T37-N40 PolarHBondContact O-N 2.9Å; T37-A41 PolarHBondContact O-N 3.39Å
38	N	98.6	Very high	97.8	Very high	72 Å²	72	58.6 Å²	58.6	39%	0.385	30%	0.303	S	S	.	.	H	α-helix	trans	-69.4	-33.7	-179.1	-70	-14.1	0	0	0	112.5	T34 Y35 A41 A42 N75	T34-N38 WeakPolarHBondContact O-CB 3.36Å; T34-N38 PolarHBondContact O-N 2.97Å; T34-N38 PolarHBondContact O-ND2 3.43Å; Y35-N38 PolarHBondContact O-N 3.01Å; N38-A41 PolarHBondContact O-N 3.3Å; N38-A42 WeakPolarHBondContact O-CB 3.48Å; N38-A42 PolarHBondContact O-N 2.8Å; N38-N75 HydrophobicContact CB-CB 4.14Å; N38-N75 VanDerWaalsContact CB-CG 3.41Å; N38-N75 WeakPolarHBondContact CB-OD1 3.45Å; N38-N75 PolarHBondContact ND2-OD1 3.19Å
39	L	98.6	Very high	97.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-49.4	174.2	176.1	62.2	0	0	0	110.5	Y3 Y35 V36 A41 A42 I43 I54 L57 V72 N75 H79	Y3-L39 HydrophobicContact CD2-CD2 3.32Å; Y3-L39 HydrophobicContact CD2-CG 3.79Å; Y3-L39 HydrophobicContact CE2-CD2 3.63Å; Y3-L39 HydrophobicContact CE2-CG 4.08Å; Y3-L39 HydrophobicContact CG-CD2 3.85Å; Y35-L39 VanDerWaalsContact O-CB 3.23Å; Y35-L39 WeakPolarHBondContact O-CB 3.45Å; Y35-L39 PolarHBondContact O-N 3.37Å; V36-L39 PolarHBondContact O-N 3.47Å; L39-A41 VanDerWaalsContact C-N 3.29Å; L39-A41 PolarHBondContact O-N 3.46Å; L39-A42 WeakPolarHBondContact O-CB 3.18Å; L39-A42 PolarHBondContact O-N 2.86Å; L39-I43 HydrophobicContact CD1-CG2 4.13Å; L39-I43 PolarHBondContact O-N 2.81Å; L39-I43 VanDerWaalsContact O-N 3.09Å; L39-I54 HydrophobicContact CD2-CD1 3.62Å; L39-L57 HydrophobicContact CD1-CD2 4.11Å; L39-V72 HydrophobicContact CD1-CG1 4.28Å; L39-V72 HydrophobicContact CD1-CG2 4.31Å; L39-N75 HydrophobicContact CB-CB 3.96Å; L39-H79 HydrophobicContact CD2-CB 4.35Å
40	N	98.4	Very high	97.6	Very high	36 Å²	36	57.1 Å²	57.1	19%	0.193	30%	0.297	C	S	.	.	H	α-helix	trans	-57.5	-43.4	177.4	-76.2	-30.2	0	0	0	111.6	Y3 V36 T37 A42 I43 E44	Y3-N40 PolarHBondContact N-OD1 2.86Å; Y3-N40 PolarHBondContact O-ND2 3.18Å; V36-N40 PolarHBondContact O-N 3.16Å; V36-N40 PolarHBondContact O-ND2 3.03Å; T37-N40 PolarHBondContact O-N 2.9Å; N40-A42 VanDerWaalsContact C-N 3.34Å; N40-A42 PolarHBondContact O-N 2.95Å; N40-I43 WeakPolarHBondContact O-CG1 3.26Å; N40-I43 PolarHBondContact O-N 3.09Å; N40-E44 WeakPolarHBondContact O-CG 3.42Å; N40-E44 PolarHBondContact O-N 3.41Å
41	A	98	Very high	97.5	Very high	55 Å²	55	58 Å²	58	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-37.9	175.2	0	0	0	0	0	112.8	T37 N38 L39	T37-A41 PolarHBondContact O-N 3.39Å; N38-A41 PolarHBondContact O-N 3.3Å; L39-A41 VanDerWaalsContact C-N 3.29Å; L39-A41 PolarHBondContact O-N 3.46Å
42	A	97.5	Very high	97.3	Very high	17 Å²	17	57.5 Å²	57.5	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-68.2	-35.1	-180	0	0	0	0	0	112.8	N38 L39 N40 A71	N38-A42 WeakPolarHBondContact O-CB 3.48Å; N38-A42 PolarHBondContact O-N 2.8Å; L39-A42 WeakPolarHBondContact O-CB 3.18Å; L39-A42 PolarHBondContact O-N 2.86Å; N40-A42 VanDerWaalsContact C-N 3.34Å; N40-A42 PolarHBondContact O-N 2.95Å; A42-A71 HydrophobicContact CB-CB 3.83Å
43	I	97.3	Very high	97.2	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.036	32%	0.316	C	S	.	.	H	α-helix	trans	-89.5	0.4	-177	68.7	176.1	0	0	0	113.7	Y3 L39 N40 K45 Y46 L49 V72	Y3-I43 HydrophobicContact CD2-CD1 3.9Å; Y3-I43 HydrophobicContact CE2-CD1 3.74Å; L39-I43 HydrophobicContact CD1-CG2 4.13Å; L39-I43 PolarHBondContact O-N 2.81Å; L39-I43 VanDerWaalsContact O-N 3.09Å; N40-I43 WeakPolarHBondContact O-CG1 3.26Å; N40-I43 PolarHBondContact O-N 3.09Å; I43-K45 PolarHBondContact O-N 2.93Å; I43-K45 VanDerWaalsContact O-N 3.09Å; I43-Y46 CarbonylContact O-C 3.36Å; I43-Y46 WeakPolarHBondContact O-CA 3.29Å; I43-Y46 PolarHBondContact O-N 3.47Å; I43-L49 HydrophobicContact CB-CB 4.41Å; I43-L49 HydrophobicContact CG2-CB 4.2Å; I43-L49 HydrophobicContact CG2-CD1 4.22Å; I43-V72 HydrophobicContact CG2-CG2 4.11Å
44	E	96.7	Very high	97.2	Very high	154 Å²	154	57.2 Å²	57.2	72%	0.72	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-32.4	179	-74.5	-176.2	174.8	0	0	113	N40 Y46	N40-E44 WeakPolarHBondContact O-CG 3.42Å; N40-E44 PolarHBondContact O-N 3.41Å; E44-Y46 VanDerWaalsContact C-N 3.32Å
45	K	94.9	Very high	97.1	Very high	152 Å²	152	57.4 Å²	57.4	66%	0.661	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-20	176.9	-67.4	-179.1	-179.3	176.4	0	114	I43 D67	I43-K45 PolarHBondContact O-N 2.93Å; I43-K45 VanDerWaalsContact O-N 3.09Å; K45-D67 IonicContact NZ-OD2 3.82Å
46	Y	96.9	Very high	97.1	Very high	63 Å²	63	60.6 Å²	60.6	25%	0.247	32%	0.315	C	S	.	.			trans	-136.8	65.8	-174.3	-56	-80	0	0	0	109.3	I43 E44 E48 L49 P65 D67 I68	I43-Y46 CarbonylContact O-C 3.36Å; I43-Y46 WeakPolarHBondContact O-CA 3.29Å; I43-Y46 PolarHBondContact O-N 3.47Å; E44-Y46 VanDerWaalsContact C-N 3.32Å; Y46-E48 WeakPolarHBondContact CA-OE2 3.36Å; Y46-E48 PolarHBondContact O-N 2.84Å; Y46-E48 VanDerWaalsContact O-N 3.12Å; Y46-L49 WeakPolarHBondContact O-CB 3.45Å; Y46-L49 WeakPolarHBondContact O-CG 3.4Å; Y46-L49 PolarHBondContact O-N 2.75Å; Y46-P65 HydrophobicContact CD1-CG 3.7Å; Y46-P65 HydrophobicContact CD2-CB 4.38Å; Y46-P65 HydrophobicContact CD2-CG 4.01Å; Y46-P65 HydrophobicContact CE1-CB 3.95Å; Y46-P65 HydrophobicContact CE1-CG 3.51Å; Y46-P65 HydrophobicContact CE2-CB 3.73Å; Y46-P65 HydrophobicContact CE2-CG 3.8Å; Y46-P65 HydrophobicContact CG-CG 3.93Å; Y46-P65 VanDerWaalsContact CZ-CB 3.46Å; Y46-P65 WeakPolarHBondContact OH-CB 3.29Å; Y46-D67 WeakPolarHBondContact CE2-OD1 3.36Å; Y46-D67 PolarHBondContact OH-OD1 2.96Å; Y46-I68 HydrophobicContact CD2-CD1 3.43Å; Y46-I68 VanDerWaalsContact CD2-CD1 3.43Å; Y46-I68 HydrophobicContact CD2-CG1 3.96Å; Y46-I68 HydrophobicContact CD2-CG2 4.46Å; Y46-I68 HydrophobicContact CE2-CD1 3.94Å; Y46-I68 HydrophobicContact CE2-CG1 3.93Å; Y46-I68 HydrophobicContact CE2-CG2 4.16Å; Y46-I68 HydrophobicContact CG-CD1 4.31Å
47	P	94.6	Very high	97	Very high	81 Å²	81	60.4 Å²	60.4	53%	0.526	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62	-21.4	-169.9	25.7	-35.7	0	0	0	114.2	L49 G50	P47-L49 PolarHBondContact O-N 2.94Å; P47-G50 PolarHBondContact O-N 3.31Å; P47-G50 VanDerWaalsContact O-N 3.14Å
48	E	95.3	Very high	97	Very high	99 Å²	99	56.8 Å²	56.8	46%	0.463	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-61.1	-28	173.8	68.2	-80.3	-171.1	0	0	112.8	Y46 G50 E51	Y46-E48 WeakPolarHBondContact CA-OE2 3.36Å; Y46-E48 PolarHBondContact O-N 2.84Å; Y46-E48 VanDerWaalsContact O-N 3.12Å; E48-G50 PolarHBondContact O-N 3.04Å; E48-E51 WeakPolarHBondContact O-CB 3.47Å; E48-E51 PolarHBondContact O-N 2.89Å; E48-E51 VanDerWaalsContact O-N 3.11Å
49	L	96.9	Very high	97	Very high	14 Å²	14	58.8 Å²	58.8	7%	0.073	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-63.8	-33	176	-62.8	-179.5	0	0	0	111.3	Y3 I43 Y46 P47 E51 Q52 L57 V64 I68	Y3-L49 PolarHBondContact OH-O 2.88Å; Y3-L49 VanDerWaalsContact OH-O 3.06Å; I43-L49 HydrophobicContact CB-CB 4.41Å; I43-L49 HydrophobicContact CG2-CB 4.2Å; I43-L49 HydrophobicContact CG2-CD1 4.22Å; Y46-L49 WeakPolarHBondContact O-CB 3.45Å; Y46-L49 WeakPolarHBondContact O-CG 3.4Å; Y46-L49 PolarHBondContact O-N 2.75Å; P47-L49 PolarHBondContact O-N 2.94Å; L49-E51 PolarHBondContact O-N 2.88Å; L49-Q52 PolarHBondContact O-N 2.87Å; L49-L57 HydrophobicContact CB-CD1 4.2Å; L49-L57 HydrophobicContact CD2-CD1 4.17Å; L49-V64 HydrophobicContact CD1-CG1 4.19Å; L49-I68 HydrophobicContact CD1-CD1 3.71Å
50	G	96.4	Very high	96.9	Very high	6 Å²	6	61.7 Å²	61.7	6%	0.062	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-77.8	6.5	177	0	0	0	0	0	114.4	M1 P47 E48	M1-G50 CarbonylContact C-O 3.56Å; M1-G50 WeakPolarHBondContact CA-O 3.46Å; M1-G50 PolarHBondContact N-O 2.86Å; M1-G50 CarbonylContact O-C 3.4Å; M1-G50 VanDerWaalsContact O-CA 3.29Å; M1-G50 WeakPolarHBondContact O-CA 3.42Å; P47-G50 PolarHBondContact O-N 3.31Å; P47-G50 VanDerWaalsContact O-N 3.14Å; E48-G50 PolarHBondContact O-N 3.04Å
51	E	95.5	Very high	96.9	Very high	149 Å²	149	60.7 Å²	60.7	70%	0.696	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-89.8	-18.8	168.8	-58.7	-174.8	169.7	0	0	112.2	E48 L49	E48-E51 WeakPolarHBondContact O-CB 3.47Å; E48-E51 PolarHBondContact O-N 2.89Å; E48-E51 VanDerWaalsContact O-N 3.11Å; L49-E51 PolarHBondContact O-N 2.88Å
52	Q	95.9	Very high	96.9	Very high	55 Å²	55	64.4 Å²	64.4	26%	0.257	32%	0.319	S	S	.	.	S	Bend	trans	-78.5	149.2	176.1	-59.3	-178.8	2	0	0	110.6	Y3 L49 E56 L57	Y3-Q52 VanDerWaalsContact CE1-O 3.31Å; Y3-Q52 WeakPolarHBondContact CE1-O 3.23Å; Y3-Q52 PolarHBondContact OH-O 3.29Å; L49-Q52 PolarHBondContact O-N 2.87Å; Q52-E56 HydrophobicContact CB-CB 4.05Å; Q52-L57 VanDerWaalsContact OE1-CA 3.29Å
53	S	97	Very high	96.8	Very high	47 Å²	47	70.5 Å²	70.5	33%	0.329	34%	0.344	S	S	.	.			trans	-58.8	157.4	161.8	62.3	0	0	0	0	110.2	E55 E56 L57	S53-E55 PolarHBondContact O-N 3.05Å; S53-E56 WeakPolarHBondContact CB-OE2 3.15Å; S53-E56 PolarHBondContact N-OE2 2.83Å; S53-E56 PolarHBondContact O-N 3.02Å; S53-E56 WeakPolarHBondContact OG-CB 3.18Å; S53-E56 WeakPolarHBondContact OG-CG 3.22Å; S53-E56 PolarHBondContact OG-N 2.88Å; S53-E56 PolarHBondContact OG-OE2 3.26Å; S53-L57 PolarHBondContact O-N 3.21Å
54	I	98.1	Very high	96.9	Very high	10 Å²	10	70.3 Å²	70.3	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-34.3	-179.9	-173	57.9	0	0	0	111	Y3 L39 L57 M58 H79 A80	Y3-I54 HydrophobicContact CD1-CB 4.3Å; Y3-I54 HydrophobicContact CE1-CB 3.99Å; Y3-I54 HydrophobicContact CE1-CD1 4.24Å; L39-I54 HydrophobicContact CD2-CD1 3.62Å; I54-L57 HydrophobicContact CD1-CD2 4.29Å; I54-L57 PolarHBondContact O-N 3.43Å; I54-M58 HydrophobicContact CD1-CG 4.46Å; I54-M58 VanDerWaalsContact O-CG 3.31Å; I54-M58 WeakPolarHBondContact O-CG 3.34Å; I54-M58 PolarHBondContact O-N 3.23Å; I54-M58 VanDerWaalsContact O-N 3.08Å; I54-H79 HydrophobicContact CD1-CB 4.21Å; I54-H79 HydrophobicContact CG1-CB 4.12Å; I54-H79 VanDerWaalsContact CG1-CD2 3.46Å; I54-H79 WeakPolarHBondContact CG1-CD2 3.26Å; I54-A80 HydrophobicContact CG1-CB 3.87Å
55	E	97.4	Very high	96.9	Very high	76 Å²	76	64.5 Å²	64.5	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-41.3	176.1	-62.7	86.4	166.1	0	0	112.2	S53 M58 K59 L153	S53-E55 PolarHBondContact O-N 3.05Å; E55-M58 PolarHBondContact O-N 2.84Å; E55-K59 VanDerWaalsContact O-CG 3.29Å; E55-K59 WeakPolarHBondContact O-CG 3.45Å; E55-K59 PolarHBondContact O-N 3.36Å; E55-L153 HydrophobicContact CB-CD1 4.31Å; E55-L153 HydrophobicContact CG-CD1 4.3Å
56	E	97.3	Very high	97.1	Very high	98 Å²	98	65 Å²	65	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-46	175	-76.1	164.2	149.1	0	0	111.7	Q52 S53 M58 K59 N60	Q52-E56 HydrophobicContact CB-CB 4.05Å; S53-E56 WeakPolarHBondContact CB-OE2 3.15Å; S53-E56 PolarHBondContact N-OE2 2.83Å; S53-E56 PolarHBondContact O-N 3.02Å; S53-E56 WeakPolarHBondContact OG-CB 3.18Å; S53-E56 WeakPolarHBondContact OG-CG 3.22Å; S53-E56 PolarHBondContact OG-N 2.88Å; S53-E56 PolarHBondContact OG-OE2 3.26Å; E56-M58 VanDerWaalsContact C-N 3.26Å; E56-M58 PolarHBondContact O-N 2.95Å; E56-K59 PolarHBondContact O-N 3.38Å; E56-N60 PolarHBondContact O-N 3.35Å; E56-N60 PolarHBondContact O-ND2 3.05Å
57	L	97.9	Very high	97.2	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57.7	-42.4	177.7	-179.6	63.4	0	0	0	111.5	Y3 L39 L49 Q52 S53 I54 N60 L61 V64 V72	Y3-L57 HydrophobicContact CE2-CD2 3.99Å; Y3-L57 WeakPolarHBondContact OH-CD2 3.28Å; L39-L57 HydrophobicContact CD1-CD2 4.11Å; L49-L57 HydrophobicContact CB-CD1 4.2Å; L49-L57 HydrophobicContact CD2-CD1 4.17Å; Q52-L57 VanDerWaalsContact OE1-CA 3.29Å; S53-L57 PolarHBondContact O-N 3.21Å; I54-L57 HydrophobicContact CD1-CD2 4.29Å; I54-L57 PolarHBondContact O-N 3.43Å; L57-N60 CarbonylContact O-C 3.05Å; L57-N60 PolarHBondContact O-N 3.34Å; L57-L61 PolarHBondContact O-N 3.3Å; L57-V64 HydrophobicContact CD1-CG2 3.76Å; L57-V72 HydrophobicContact CD1-CG1 4.15Å; L57-V72 HydrophobicContact CD2-CG1 3.79Å; L57-V72 HydrophobicContact CG-CG1 3.92Å
58	M	98.4	Very high	97.3	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-72.2	-37	179.2	-66.3	-48.4	-60.5	0	0	113.1	I54 E55 E56 N60 L61 G77 A80 L153 T154	I54-M58 HydrophobicContact CD1-CG 4.46Å; I54-M58 VanDerWaalsContact O-CG 3.31Å; I54-M58 WeakPolarHBondContact O-CG 3.34Å; I54-M58 PolarHBondContact O-N 3.23Å; I54-M58 VanDerWaalsContact O-N 3.08Å; E55-M58 PolarHBondContact O-N 2.84Å; E56-M58 VanDerWaalsContact C-N 3.26Å; E56-M58 PolarHBondContact O-N 2.95Å; M58-N60 VanDerWaalsContact C-N 3.26Å; M58-N60 PolarHBondContact O-N 2.97Å; M58-L61 HydrophobicContact CE-CD2 4.42Å; M58-L61 WeakPolarHBondContact O-CB 3.49Å; M58-L61 PolarHBondContact O-N 3.4Å; M58-G77 PolarHBondContact SD-N 3.26Å; M58-A80 HydrophobicContact CG-CB 3.89Å; M58-L153 HydrophobicContact CB-CB 4.14Å; M58-L153 HydrophobicContact CB-CD1 4.11Å; M58-T154 HydrophobicContact CE-CG2 3.81Å; M58-T154 VanDerWaalsContact O-CG2 3.29Å; M58-T154 WeakPolarHBondContact O-CG2 3.47Å
59	K	97.8	Very high	97.5	Very high	114 Å²	114	62.3 Å²	62.3	50%	0.496	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-36.2	173.3	-74.9	173.2	-175.9	178.9	0	111.8	E55 E56 L153	E55-K59 VanDerWaalsContact O-CG 3.29Å; E55-K59 WeakPolarHBondContact O-CG 3.45Å; E55-K59 PolarHBondContact O-N 3.36Å; E56-K59 PolarHBondContact O-N 3.38Å; K59-L153 HydrophobicContact CG-CB 4.23Å; K59-L153 HydrophobicContact CG-CD2 4.32Å
60	N	97.3	Very high	97.5	Very high	62 Å²	62	66.3 Å²	66.3	33%	0.332	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	25.2	-177.1	-60.9	-28.8	0	0	0	113	E56 L57 M58 N62 E63	E56-N60 PolarHBondContact O-N 3.35Å; E56-N60 PolarHBondContact O-ND2 3.05Å; L57-N60 CarbonylContact O-C 3.05Å; L57-N60 PolarHBondContact O-N 3.34Å; M58-N60 VanDerWaalsContact C-N 3.26Å; M58-N60 PolarHBondContact O-N 2.97Å; N60-N62 PolarHBondContact O-N 2.98Å; N60-E63 HydrophobicContact CB-CB 4.49Å; N60-E63 HydrophobicContact CB-CG 4.34Å; N60-E63 WeakPolarHBondContact O-CB 3.49Å; N60-E63 PolarHBondContact O-N 3.26Å
61	L	98	Very high	97.6	Very high	15 Å²	15	67.8 Å²	67.8	8%	0.079	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-54.8	-29	-175.3	-177.8	65.6	0	0	0	113.8	L57 M58 E63 V64 R69 V72 R73 T154	L57-L61 PolarHBondContact O-N 3.3Å; M58-L61 HydrophobicContact CE-CD2 4.42Å; M58-L61 WeakPolarHBondContact O-CB 3.49Å; M58-L61 PolarHBondContact O-N 3.4Å; L61-E63 VanDerWaalsContact C-N 3.27Å; L61-E63 PolarHBondContact O-N 3.28Å; L61-V64 HydrophobicContact CD1-CG2 4.33Å; L61-V64 WeakPolarHBondContact O-CB 3.5Å; L61-V64 PolarHBondContact O-N 3.3Å; L61-R69 HydrophobicContact CD1-CG 4.17Å; L61-R69 HydrophobicContact CG-CG 4.3Å; L61-V72 HydrophobicContact CD1-CB 4.33Å; L61-V72 HydrophobicContact CD1-CG1 3.92Å; L61-R73 HydrophobicContact CD1-CB 4.1Å; L61-R73 HydrophobicContact CD2-CB 3.81Å; L61-R73 HydrophobicContact CD2-CG 3.8Å; L61-T154 HydrophobicContact CB-CG2 4.12Å; L61-T154 HydrophobicContact CD2-CG2 3.63Å
62	N	96.9	Very high	97.8	Very high	132 Å²	132	60.7 Å²	60.7	71%	0.706	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-70.1	-22.9	177.1	-70.1	-36	0	0	0	113.4	N60 V64 R69	N60-N62 PolarHBondContact O-N 2.98Å; N62-V64 VanDerWaalsContact C-N 3.35Å; N62-R69 PolarHBondContact O-NH2 2.78Å
63	E	97	Very high	97.9	Very high	146 Å²	146	63.1 Å²	63.1	68%	0.682	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-81.9	-17	176.8	-56.3	-177	172.1	0	0	112.1	N60 L61	N60-E63 HydrophobicContact CB-CB 4.49Å; N60-E63 HydrophobicContact CB-CG 4.34Å; N60-E63 WeakPolarHBondContact O-CB 3.49Å; N60-E63 PolarHBondContact O-N 3.26Å; L61-E63 VanDerWaalsContact C-N 3.27Å; L61-E63 PolarHBondContact O-N 3.28Å
64	V	97.9	Very high	98	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.012	32%	0.318	C	S	.	.	S	Bend	trans	-64.1	135.2	175.9	177.3	0	0	0	0	110	L49 L57 L61 N62 E66 I68 R69 V72	L49-V64 HydrophobicContact CD1-CG1 4.19Å; L57-V64 HydrophobicContact CD1-CG2 3.76Å; L61-V64 HydrophobicContact CD1-CG2 4.33Å; L61-V64 WeakPolarHBondContact O-CB 3.5Å; L61-V64 PolarHBondContact O-N 3.3Å; N62-V64 VanDerWaalsContact C-N 3.35Å; V64-E66 PolarHBondContact O-N 2.97Å; V64-I68 HydrophobicContact CG1-CD1 3.89Å; V64-I68 HydrophobicContact CG1-CG1 3.82Å; V64-R69 HydrophobicContact CB-CG 4.41Å; V64-R69 HydrophobicContact CG1-CB 4.32Å; V64-R69 PolarHBondContact O-NE 3.22Å; V64-R69 PolarHBondContact O-NH2 3.44Å; V64-V72 HydrophobicContact CG1-CB 4.05Å; V64-V72 HydrophobicContact CG1-CG1 4.33Å; V64-V72 HydrophobicContact CG1-CG2 3.85Å; V64-V72 HydrophobicContact CG2-CG1 4.14Å
65	P	98.3	Very high	98	Very high	33 Å²	33	64.7 Å²	64.7	21%	0.214	32%	0.321	C	S	.	.			trans	-52.7	137.9	177.4	-28.1	35.4	0	0	0	113	Y46 D67 I68 R69	Y46-P65 HydrophobicContact CD1-CG 3.7Å; Y46-P65 HydrophobicContact CD2-CB 4.38Å; Y46-P65 HydrophobicContact CD2-CG 4.01Å; Y46-P65 HydrophobicContact CE1-CB 3.95Å; Y46-P65 HydrophobicContact CE1-CG 3.51Å; Y46-P65 HydrophobicContact CE2-CB 3.73Å; Y46-P65 HydrophobicContact CE2-CG 3.8Å; Y46-P65 HydrophobicContact CG-CG 3.93Å; Y46-P65 VanDerWaalsContact CZ-CB 3.46Å; Y46-P65 WeakPolarHBondContact OH-CB 3.29Å; P65-D67 WeakPolarHBondContact CB-OD1 3.37Å; P65-D67 PolarHBondContact O-N 3.34Å; P65-I68 HydrophobicContact CB-CG1 4.24Å; P65-I68 WeakPolarHBondContact O-CG1 3.27Å; P65-I68 PolarHBondContact O-N 2.85Å; P65-I68 VanDerWaalsContact O-N 3.15Å; P65-R69 WeakPolarHBondContact O-CB 3.48Å; P65-R69 PolarHBondContact O-N 3.26Å
66	E	98.2	Very high	98.1	Very high	162 Å²	162	61.1 Å²	61.1	76%	0.757	30%	0.304	S	S	*	.	H	α-helix	trans	-57.6	-36	-172.2	-174.1	176.3	-175.7	0	0	112.8	V64 I68 R69	V64-E66 PolarHBondContact O-N 2.97Å; E66-I68 PolarHBondContact O-N 3.47Å; E66-R69 PolarHBondContact O-N 3.16Å
67	D	98.2	Very high	98.2	Very high	92 Å²	92	56.4 Å²	56.4	49%	0.492	28%	0.283	S	S	.	.	H	α-helix	trans	-66.9	-20	-176.6	72	-55.5	0	0	0	114	K45 Y46 P65	K45-D67 IonicContact NZ-OD2 3.82Å; Y46-D67 WeakPolarHBondContact CE2-OD1 3.36Å; Y46-D67 PolarHBondContact OH-OD1 2.96Å; P65-D67 WeakPolarHBondContact CB-OD1 3.37Å; P65-D67 PolarHBondContact O-N 3.34Å
68	I	98.1	Very high	98.2	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.062	28%	0.283	C	S	.	.	H	α-helix	trans	-119.4	-7.2	177.4	61.2	155.4	0	0	0	113.6	Y46 L49 V64 P65 E66 T70 A71 V72	Y46-I68 HydrophobicContact CD2-CD1 3.43Å; Y46-I68 VanDerWaalsContact CD2-CD1 3.43Å; Y46-I68 HydrophobicContact CD2-CG1 3.96Å; Y46-I68 HydrophobicContact CD2-CG2 4.46Å; Y46-I68 HydrophobicContact CE2-CD1 3.94Å; Y46-I68 HydrophobicContact CE2-CG1 3.93Å; Y46-I68 HydrophobicContact CE2-CG2 4.16Å; Y46-I68 HydrophobicContact CG-CD1 4.31Å; L49-I68 HydrophobicContact CD1-CD1 3.71Å; V64-I68 HydrophobicContact CG1-CD1 3.89Å; V64-I68 HydrophobicContact CG1-CG1 3.82Å; P65-I68 HydrophobicContact CB-CG1 4.24Å; P65-I68 WeakPolarHBondContact O-CG1 3.27Å; P65-I68 PolarHBondContact O-N 2.85Å; P65-I68 VanDerWaalsContact O-N 3.15Å; E66-I68 PolarHBondContact O-N 3.47Å; I68-T70 VanDerWaalsContact C-N 3.3Å; I68-T70 PolarHBondContact O-N 2.97Å; I68-T70 VanDerWaalsContact O-N 3.17Å; I68-A71 WeakPolarHBondContact O-CA 3.47Å; I68-A71 WeakPolarHBondContact O-CB 3.31Å; I68-A71 PolarHBondContact O-N 3.1Å; I68-V72 HydrophobicContact CD1-CG2 3.88Å; I68-V72 HydrophobicContact CG1-CG2 4.35Å; I68-V72 PolarHBondContact O-N 3.23Å
69	R	98.4	Very high	98.2	Very high	83 Å²	83	56.8 Å²	56.8	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-55.3	-40.5	-171.3	-170.2	-179.9	-60.9	150.7	1.3	113.4	L61 N62 V64 P65 E66 V72 R73	L61-R69 HydrophobicContact CD1-CG 4.17Å; L61-R69 HydrophobicContact CG-CG 4.3Å; N62-R69 PolarHBondContact O-NH2 2.78Å; V64-R69 HydrophobicContact CB-CG 4.41Å; V64-R69 HydrophobicContact CG1-CB 4.32Å; V64-R69 PolarHBondContact O-NE 3.22Å; V64-R69 PolarHBondContact O-NH2 3.44Å; P65-R69 WeakPolarHBondContact O-CB 3.48Å; P65-R69 PolarHBondContact O-N 3.26Å; E66-R69 PolarHBondContact O-N 3.16Å; R69-V72 PolarHBondContact O-N 3.37Å; R69-R73 VanDerWaalsContact O-CB 3.29Å; R69-R73 WeakPolarHBondContact O-CB 3.26Å; R69-R73 PolarHBondContact O-N 2.71Å
70	T	98.5	Very high	98.3	Very high	97 Å²	97	51.6 Å²	51.6	60%	0.595	26%	0.262	S	S	*	.	H	α-helix	trans	-67.6	-39.3	177.1	-56.3	0	0	0	0	112.3	I68 R73 N74	I68-T70 VanDerWaalsContact C-N 3.3Å; I68-T70 PolarHBondContact O-N 2.97Å; I68-T70 VanDerWaalsContact O-N 3.17Å; T70-R73 PolarHBondContact O-N 3.18Å; T70-N74 VanDerWaalsContact O-CG 3.3Å; T70-N74 PolarHBondContact O-N 2.92Å; T70-N74 PolarHBondContact O-ND2 2.97Å
71	A	98.5	Very high	98.4	Very high	37 Å²	37	48.7 Å²	48.7	31%	0.306	25%	0.247	S	C	.	.	H	α-helix	trans	-66.3	-41.4	177	0	0	0	0	0	111.1	A42 I68 N75	A42-A71 HydrophobicContact CB-CB 3.83Å; I68-A71 WeakPolarHBondContact O-CA 3.47Å; I68-A71 WeakPolarHBondContact O-CB 3.31Å; I68-A71 PolarHBondContact O-N 3.1Å; A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 2.95Å; A71-N75 PolarHBondContact O-ND2 3.22Å
72	V	98.4	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-43	174.1	175.7	0	0	0	0	111.3	L39 I43 L57 L61 V64 I68 R69 N74 G76	L39-V72 HydrophobicContact CD1-CG1 4.28Å; L39-V72 HydrophobicContact CD1-CG2 4.31Å; I43-V72 HydrophobicContact CG2-CG2 4.11Å; L57-V72 HydrophobicContact CD1-CG1 4.15Å; L57-V72 HydrophobicContact CD2-CG1 3.79Å; L57-V72 HydrophobicContact CG-CG1 3.92Å; L61-V72 HydrophobicContact CD1-CB 4.33Å; L61-V72 HydrophobicContact CD1-CG1 3.92Å; V64-V72 HydrophobicContact CG1-CB 4.05Å; V64-V72 HydrophobicContact CG1-CG1 4.33Å; V64-V72 HydrophobicContact CG1-CG2 3.85Å; V64-V72 HydrophobicContact CG2-CG1 4.14Å; I68-V72 HydrophobicContact CD1-CG2 3.88Å; I68-V72 HydrophobicContact CG1-CG2 4.35Å; I68-V72 PolarHBondContact O-N 3.23Å; R69-V72 PolarHBondContact O-N 3.37Å; V72-N74 VanDerWaalsContact C-N 3.35Å; V72-N74 PolarHBondContact O-N 2.71Å; V72-G76 WeakPolarHBondContact O-CA 3.43Å; V72-G76 PolarHBondContact O-N 3.01Å
73	R	98.7	Very high	98.5	Very high	107 Å²	107	42.3 Å²	42.3	40%	0.404	21%	0.214	S	C	.	.	H	α-helix	trans	-54.5	-51.1	175.4	179.7	177.4	174.7	168.5	0.7	111.6	L61 R69 T70 G77 D150	L61-R73 HydrophobicContact CD1-CB 4.1Å; L61-R73 HydrophobicContact CD2-CB 3.81Å; L61-R73 HydrophobicContact CD2-CG 3.8Å; R69-R73 VanDerWaalsContact O-CB 3.29Å; R69-R73 WeakPolarHBondContact O-CB 3.26Å; R69-R73 PolarHBondContact O-N 2.71Å; T70-R73 PolarHBondContact O-N 3.18Å; R73-G77 WeakPolarHBondContact O-CA 3.45Å; R73-G77 PolarHBondContact O-N 2.99Å; R73-D150 IonicContact CZ-OD1 3.72Å; R73-D150 VanDerWaalsContact CZ-OD1 3.26Å; R73-D150 IonicContact CZ-OD2 2.67Å; R73-D150 IonicContact NE-OD1 3.94Å; R73-D150 PolarHBondContact NE-OD1 3.01Å; R73-D150 IonicContact NE-OD2 3.01Å; R73-D150 IonicContact NH2-OD1 2.71Å; R73-D150 PolarHBondContact NH2-OD1 3Å; R73-D150 IonicContact NH2-OD2 3.26Å; R73-D150 PolarHBondContact NH2-OD2 3.43Å
74	N	98.8	Very high	98.6	Very high	67 Å²	67	36.9 Å²	36.9	36%	0.358	19%	0.188	S	C	.	.	H	α-helix	trans	-73.5	-48.1	-173.5	-67.1	-15.4	0	0	0	112.3	T70 V72 G78 Q149	T70-N74 VanDerWaalsContact O-CG 3.3Å; T70-N74 PolarHBondContact O-N 2.92Å; T70-N74 PolarHBondContact O-ND2 2.97Å; V72-N74 VanDerWaalsContact C-N 3.35Å; V72-N74 PolarHBondContact O-N 2.71Å; N74-G78 PolarHBondContact O-N 2.97Å; N74-Q149 WeakPolarHBondContact O-CB 3.45Å
75	N	98.8	Very high	98.6	Very high	23 Å²	23	36.8 Å²	36.8	12%	0.123	19%	0.188	C	C	.	.	H	α-helix	trans	-86.3	-35.2	-175.1	-61.2	-70.9	0	0	0	112.3	N38 L39 A71 G78 H79	N38-N75 HydrophobicContact CB-CB 4.14Å; N38-N75 VanDerWaalsContact CB-CG 3.41Å; N38-N75 WeakPolarHBondContact CB-OD1 3.45Å; N38-N75 PolarHBondContact ND2-OD1 3.19Å; L39-N75 HydrophobicContact CB-CB 3.96Å; A71-N75 WeakPolarHBondContact O-CB 3.47Å; A71-N75 PolarHBondContact O-N 2.95Å; A71-N75 PolarHBondContact O-ND2 3.22Å; N75-G78 PolarHBondContact O-N 2.87Å; N75-H79 WeakPolarHBondContact O-CB 3.45Å; N75-H79 PolarHBondContact O-N 2.93Å
76	G	98.7	Very high	98.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-43.5	170.6	0	0	0	0	0	111.7	V72 G78 H79 A80	V72-G76 WeakPolarHBondContact O-CA 3.43Å; V72-G76 PolarHBondContact O-N 3.01Å; G76-G78 VanDerWaalsContact C-N 3.32Å; G76-G78 PolarHBondContact O-N 3.25Å; G76-H79 PolarHBondContact O-N 3.32Å; G76-A80 WeakPolarHBondContact O-CB 3.18Å; G76-A80 PolarHBondContact O-N 3.19Å
77	G	98.8	Very high	98.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-43.7	171.2	0	0	0	0	0	111.8	M58 R73 H79 A80 N81 Q149	M58-G77 PolarHBondContact SD-N 3.26Å; R73-G77 WeakPolarHBondContact O-CA 3.45Å; R73-G77 PolarHBondContact O-N 2.99Å; G77-H79 PolarHBondContact O-N 3.05Å; G77-A80 PolarHBondContact O-N 3.43Å; G77-N81 WeakPolarHBondContact O-CB 3.13Å; G77-N81 PolarHBondContact O-N 2.84Å; G77-N81 PolarHBondContact O-ND2 3.32Å; G77-N81 PolarHBondContact O-OD1 3.43Å; G77-Q149 CarbonylContact C-O 3.54Å; G77-Q149 VanDerWaalsContact CA-O 3.27Å; G77-Q149 WeakPolarHBondContact CA-O 3.49Å
78	G	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-45.4	175	0	0	0	0	0	112.5	N74 N75 G76 H82	N74-G78 PolarHBondContact O-N 2.97Å; N75-G78 PolarHBondContact O-N 2.87Å; G76-G78 VanDerWaalsContact C-N 3.32Å; G76-G78 PolarHBondContact O-N 3.25Å; G78-H82 WeakPolarHBondContact O-CB 3.44Å; G78-H82 PolarHBondContact O-N 2.97Å; G78-H82 VanDerWaalsContact O-N 3.17Å; G78-H82 PolarHBondContact O-ND1 3.42Å
79	H	98.8	Very high	98.7	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-46.4	177.2	-178.4	31.4	0	0	0	112.5	Y3 T4 H32 V36 L39 I54 N75 G76 G77 S83	Y3-H79 AromaticContact CD1-CD2 3.93Å; Y3-H79 AromaticContact CD1-NE2 3.84Å; T4-H79 PolarHBondContact O-CE1 3.2Å; H32-H79 AromaticContact CD2-ND1 3.86Å; H32-H79 AromaticContact CE1-ND1 3.84Å; H32-H79 AromaticContact NE2-CE1 3.82Å; H32-H79 AromaticContact NE2-CG 3.94Å; H32-H79 AromaticContact NE2-ND1 2.92Å; H32-H79 PolarHBondContact NE2-ND1 2.83Å; H32-H79 PolarHBondContact NE2-O 2.68Å; V36-H79 HydrophobicContact CG2-CB 4.37Å; V36-H79 WeakPolarHBondContact CG2-ND1 3.29Å; L39-H79 HydrophobicContact CD2-CB 4.35Å; I54-H79 HydrophobicContact CD1-CB 4.21Å; I54-H79 HydrophobicContact CG1-CB 4.12Å; I54-H79 VanDerWaalsContact CG1-CD2 3.46Å; I54-H79 WeakPolarHBondContact CG1-CD2 3.26Å; N75-H79 WeakPolarHBondContact O-CB 3.45Å; N75-H79 PolarHBondContact O-N 2.93Å; G76-H79 PolarHBondContact O-N 3.32Å; G77-H79 PolarHBondContact O-N 3.05Å; H79-S83 PolarHBondContact CE1-OG 3.06Å; H79-S83 VanDerWaalsContact CE1-OG 3.25Å; H79-S83 PolarHBondContact ND1-OG 3.32Å; H79-S83 VanDerWaalsContact ND1-OG 3.16Å; H79-S83 WeakPolarHBondContact O-CB 3.16Å; H79-S83 PolarHBondContact O-N 3.44Å; H79-S83 PolarHBondContact O-OG 2.87Å
80	A	98.7	Very high	98.7	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.033	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-51.3	178.2	0	0	0	0	0	111.4	I54 M58 G76 G77 H82 S83 F84 L153	I54-A80 HydrophobicContact CG1-CB 3.87Å; M58-A80 HydrophobicContact CG-CB 3.89Å; G76-A80 WeakPolarHBondContact O-CB 3.18Å; G76-A80 PolarHBondContact O-N 3.19Å; G77-A80 PolarHBondContact O-N 3.43Å; A80-H82 PolarHBondContact O-N 3.45Å; A80-S83 PolarHBondContact O-N 3.07Å; A80-F84 WeakPolarHBondContact O-CB 3.41Å; A80-F84 PolarHBondContact O-N 3.44Å; A80-L153 HydrophobicContact CB-CD1 4.34Å
81	N	98.9	Very high	98.7	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.011	12%	0.116	C	C	.	.	H	α-helix	trans	-64.8	-43.1	-174	-64.9	-13.6	0	0	0	111.4	G77 F84 F85 W131 W133 Q149 D150 S151	G77-N81 WeakPolarHBondContact O-CB 3.13Å; G77-N81 PolarHBondContact O-N 2.84Å; G77-N81 PolarHBondContact O-ND2 3.32Å; G77-N81 PolarHBondContact O-OD1 3.43Å; N81-F84 PolarHBondContact O-N 2.99Å; N81-F85 VanDerWaalsContact O-CB 3.3Å; N81-F85 WeakPolarHBondContact O-CB 3.35Å; N81-F85 PolarHBondContact O-N 3.32Å; N81-W131 HydrophobicContact CB-CD2 4.3Å; N81-W131 HydrophobicContact CB-CH2 3.89Å; N81-W131 HydrophobicContact CB-CZ2 3.54Å; N81-W131 HydrophobicContact CB-CZ3 4.39Å; N81-W131 PolarHBondContact ND2-NE1 3.17Å; N81-W133 HydrophobicContact CB-CH2 3.94Å; N81-W133 HydrophobicContact CB-CZ2 4.4Å; N81-Q149 PolarHBondContact ND2-O 2.93Å; N81-Q149 VanDerWaalsContact ND2-O 3.17Å; N81-Q149 PolarHBondContact ND2-OE1 3.48Å; N81-D150 PolarHBondContact ND2-O 3.08Å; N81-S151 VanDerWaalsContact OD1-CB 3.31Å; N81-S151 WeakPolarHBondContact OD1-CB 3.18Å; N81-S151 PolarHBondContact OD1-OG 3.3Å; N81-S151 VanDerWaalsContact OD1-OG 3.05Å
82	H	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-73.2	-41.3	179	-69.4	77.3	0	0	0	112.1	H27 H32 Y35 G78 A80 F84 F85 W86 W131 D164 H168	H27-H82 AromaticContact CD2-CD2 3.46Å; H27-H82 PolarHBondContact CD2-CD2 3.42Å; H27-H82 VanDerWaalsContact CD2-CD2 3.46Å; H27-H82 AromaticContact CD2-NE2 3.34Å; H27-H82 PolarHBondContact CD2-NE2 3.43Å; H27-H82 VanDerWaalsContact CD2-NE2 3.34Å; H27-H82 AromaticContact NE2-CD2 3.22Å; H27-H82 PolarHBondContact NE2-CD2 3.4Å; H27-H82 AromaticContact NE2-NE2 2.97Å; H27-H82 PolarHBondContact NE2-NE2 3.05Å; H32-H82 HydrophobicContact CB-CB 4.02Å; Y35-H82 AromaticContact CD2-CE1 3.95Å; Y35-H82 AromaticContact CD2-ND1 4Å; Y35-H82 AromaticContact CE2-CE1 3.47Å; Y35-H82 VanDerWaalsContact CE2-CE1 3.47Å; Y35-H82 WeakPolarHBondContact CE2-CE1 3.1Å; Y35-H82 AromaticContact CE2-ND1 3.96Å; G78-H82 WeakPolarHBondContact O-CB 3.44Å; G78-H82 PolarHBondContact O-N 2.97Å; G78-H82 VanDerWaalsContact O-N 3.17Å; G78-H82 PolarHBondContact O-ND1 3.42Å; A80-H82 PolarHBondContact O-N 3.45Å; H82-F84 PolarHBondContact O-N 3.2Å; H82-F85 PolarHBondContact O-N 3.08Å; H82-W86 HydrophobicContact CB-CZ2 4.19Å; H82-W86 AromaticContact CD2-CZ2 3.74Å; H82-W86 PolarHBondContact O-N 3.22Å; H82-W86 PolarHBondContact O-NE1 2.99Å; H82-W86 VanDerWaalsContact O-NE1 3.14Å; H82-W131 AromaticContact CE1-CZ2 3.66Å; H82-W131 AromaticContact ND1-CZ2 3.86Å; H82-D164 IonicContact NE2-OD2 3.88Å; H82-H168 AromaticContact NE2-NE2 3.97Å
83	S	98.8	Very high	98.5	Very high	12 Å²	12	30.9 Å²	30.9	8%	0.084	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-34.5	175	-60	0	0	0	0	112.2	H32 H79 A80	H32-S83 PolarHBondContact CE1-OG 3.42Å; H32-S83 VanDerWaalsContact CE1-OG 3.24Å; H32-S83 PolarHBondContact NE2-OG 3.47Å; H79-S83 PolarHBondContact CE1-OG 3.06Å; H79-S83 VanDerWaalsContact CE1-OG 3.25Å; H79-S83 PolarHBondContact ND1-OG 3.32Å; H79-S83 VanDerWaalsContact ND1-OG 3.16Å; H79-S83 WeakPolarHBondContact O-CB 3.16Å; H79-S83 PolarHBondContact O-N 3.44Å; H79-S83 PolarHBondContact O-OG 2.87Å; A80-S83 PolarHBondContact O-N 3.07Å
84	F	98.8	Very high	98.4	Very high	32 Å²	32	26.5 Å²	26.5	14%	0.14	15%	0.151	C	C	.	.	H	α-helix	trans	-72.4	-47.1	171.2	173.6	-92.6	0	0	0	112.3	A80 N81 H82 W86 K87 I88 W133 P159 I160 N197	A80-F84 WeakPolarHBondContact O-CB 3.41Å; A80-F84 PolarHBondContact O-N 3.44Å; N81-F84 PolarHBondContact O-N 2.99Å; H82-F84 PolarHBondContact O-N 3.2Å; F84-W86 VanDerWaalsContact C-N 3.3Å; F84-W86 PolarHBondContact O-N 3.14Å; F84-K87 PolarHBondContact O-N 3.44Å; F84-I88 HydrophobicContact CD1-CG1 4.2Å; F84-I88 HydrophobicContact CD1-CG2 4.39Å; F84-I88 HydrophobicContact CD2-CG2 4.35Å; F84-I88 HydrophobicContact CE1-CG1 3.9Å; F84-I88 HydrophobicContact CE1-CG2 3.89Å; F84-I88 HydrophobicContact CE2-CG2 3.85Å; F84-I88 HydrophobicContact CZ-CG1 4.45Å; F84-I88 HydrophobicContact CZ-CG2 3.6Å; F84-I88 PolarHBondContact O-N 2.98Å; F84-W133 AromaticContact CD1-CZ3 3.81Å; F84-W133 HydrophobicContact CD1-CZ3 3.81Å; F84-W133 HydrophobicContact CE1-CE3 4.29Å; F84-W133 AromaticContact CE1-CZ3 3.81Å; F84-W133 HydrophobicContact CE1-CZ3 3.81Å; F84-P159 HydrophobicContact CD2-CB 4.34Å; F84-P159 HydrophobicContact CE1-CB 4.14Å; F84-P159 HydrophobicContact CE2-CB 3.8Å; F84-P159 HydrophobicContact CZ-CB 3.68Å; F84-I160 WeakPolarHBondContact CZ-O 3.35Å; F84-N197 WeakPolarHBondContact CE2-ND2 3.37Å
85	F	98.9	Very high	98.3	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-40.1	-176.3	-171.6	-124.6	0	0	0	113.1	H27 N81 H82 K87 I88 M89 W131 G162 L163 D164 F185	H27-F85 AromaticContact CE1-CE1 3.85Å; N81-F85 VanDerWaalsContact O-CB 3.3Å; N81-F85 WeakPolarHBondContact O-CB 3.35Å; N81-F85 PolarHBondContact O-N 3.32Å; H82-F85 PolarHBondContact O-N 3.08Å; F85-K87 VanDerWaalsContact C-N 3.28Å; F85-K87 PolarHBondContact O-N 3.47Å; F85-I88 HydrophobicContact CD2-CD1 3.88Å; F85-I88 HydrophobicContact CE2-CD1 4.25Å; F85-I88 WeakPolarHBondContact O-CG1 3.33Å; F85-I88 PolarHBondContact O-N 3.03Å; F85-M89 HydrophobicContact CD1-CE 3.58Å; F85-M89 HydrophobicContact CD2-CE 4.18Å; F85-M89 HydrophobicContact CE1-CE 3.28Å; F85-M89 HydrophobicContact CE1-SD 4.12Å; F85-M89 HydrophobicContact CE2-CE 3.91Å; F85-M89 HydrophobicContact CE2-SD 3.94Å; F85-M89 HydrophobicContact CG-CE 4.02Å; F85-M89 HydrophobicContact CZ-CE 3.45Å; F85-M89 VanDerWaalsContact CZ-CE 3.45Å; F85-M89 HydrophobicContact CZ-SD 3.65Å; F85-M89 WeakPolarHBondContact O-CE 3.18Å; F85-W131 HydrophobicContact CB-CH2 3.95Å; F85-W131 HydrophobicContact CB-CZ3 3.87Å; F85-W131 HydrophobicContact CD1-CH2 4.46Å; F85-W131 AromaticContact CD2-CZ3 3.85Å; F85-W131 HydrophobicContact CD2-CZ3 3.85Å; F85-W131 HydrophobicContact CG-CH2 4.09Å; F85-W131 AromaticContact CG-CZ3 3.84Å; F85-W131 HydrophobicContact CG-CZ3 3.84Å; F85-G162 WeakPolarHBondContact CD2-O 3.47Å; F85-L163 HydrophobicContact CE2-CD1 4.11Å; F85-L163 HydrophobicContact CZ-CD1 4.31Å; F85-D164 HydrophobicContact CE1-CB 4.24Å; F85-D164 HydrophobicContact CZ-CB 4.25Å; F85-F185 HydrophobicContact CE2-CE2 4.06Å
86	W	98.8	Very high	98.3	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.015	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.5	178.9	-50.3	135	0	0	0	114	L8 Y10 M24 H27 H28 H32 H82 F84 M89	L8-W86 HydrophobicContact CD2-CB 3.93Å; L8-W86 HydrophobicContact CD2-CD2 3.73Å; L8-W86 HydrophobicContact CD2-CE3 3.93Å; L8-W86 HydrophobicContact CD2-CG 3.71Å; Y10-W86 WeakPolarHBondContact CE1-O 3.38Å; Y10-W86 PolarHBondContact OH-O 3.46Å; Y10-W86 VanDerWaalsContact OH-O 3.13Å; M24-W86 HydrophobicContact CE-CE3 4.18Å; M24-W86 HydrophobicContact CE-CZ3 3.97Å; M24-W86 HydrophobicContact SD-CZ3 4.33Å; H27-W86 HydrophobicContact CB-CH2 3.88Å; H27-W86 AromaticContact CD2-CH2 3.77Å; H27-W86 AromaticContact CE1-CH2 3.93Å; H27-W86 AromaticContact CG-CH2 3.5Å; H27-W86 VanDerWaalsContact CG-CH2 3.5Å; H27-W86 AromaticContact ND1-CH2 3.62Å; H28-W86 HydrophobicContact CB-CZ2 4.16Å; H28-W86 AromaticContact CD2-CE2 3.99Å; H28-W86 AromaticContact CD2-NE1 3.69Å; H32-W86 HydrophobicContact CB-CZ2 4.47Å; H32-W86 AromaticContact CE1-NE1 3.66Å; H32-W86 AromaticContact CG-NE1 3.93Å; H32-W86 AromaticContact ND1-CD1 3.79Å; H32-W86 AromaticContact ND1-NE1 3.03Å; H32-W86 PolarHBondContact ND1-NE1 3.24Å; H82-W86 HydrophobicContact CB-CZ2 4.19Å; H82-W86 AromaticContact CD2-CZ2 3.74Å; H82-W86 PolarHBondContact O-N 3.22Å; H82-W86 PolarHBondContact O-NE1 2.99Å; H82-W86 VanDerWaalsContact O-NE1 3.14Å; F84-W86 VanDerWaalsContact C-N 3.3Å; F84-W86 PolarHBondContact O-N 3.14Å; W86-M89 HydrophobicContact CE3-CE 3.89Å; W86-M89 HydrophobicContact CZ3-CE 4.07Å
87	K	98.6	Very high	98.3	Very high	98 Å²	98	30.4 Å²	30.4	43%	0.426	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-32	-178.3	-62.7	178.9	-176.4	176.3	0	112.4	P9 F84 F85 M89 N190 Q193	P9-K87 HydrophobicContact CG-CG 4.49Å; F84-K87 PolarHBondContact O-N 3.44Å; F85-K87 VanDerWaalsContact C-N 3.28Å; F85-K87 PolarHBondContact O-N 3.47Å; K87-M89 PolarHBondContact O-N 3.28Å; K87-N190 PolarHBondContact O-ND2 3.24Å; K87-N190 VanDerWaalsContact O-ND2 3.16Å; K87-Q193 HydrophobicContact CB-CG 4Å; K87-Q193 WeakPolarHBondContact O-CB 3.16Å; K87-Q193 WeakPolarHBondContact O-CG 3.37Å
88	I	98.8	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-80.4	3.6	-179.2	61.9	81	0	0	0	113.3	F84 F85 I161 G162 F185 N190 Q193	F84-I88 HydrophobicContact CD1-CG1 4.2Å; F84-I88 HydrophobicContact CD1-CG2 4.39Å; F84-I88 HydrophobicContact CD2-CG2 4.35Å; F84-I88 HydrophobicContact CE1-CG1 3.9Å; F84-I88 HydrophobicContact CE1-CG2 3.89Å; F84-I88 HydrophobicContact CE2-CG2 3.85Å; F84-I88 HydrophobicContact CZ-CG1 4.45Å; F84-I88 HydrophobicContact CZ-CG2 3.6Å; F84-I88 PolarHBondContact O-N 2.98Å; F85-I88 HydrophobicContact CD2-CD1 3.88Å; F85-I88 HydrophobicContact CE2-CD1 4.25Å; F85-I88 WeakPolarHBondContact O-CG1 3.33Å; F85-I88 PolarHBondContact O-N 3.03Å; I88-I161 HydrophobicContact CD1-CG2 4.43Å; I88-G162 VanDerWaalsContact CD1-O 3.26Å; I88-G162 WeakPolarHBondContact CD1-O 3.32Å; I88-F185 HydrophobicContact CD1-CE2 3.83Å; I88-F185 HydrophobicContact CD1-CZ 3.78Å; I88-N190 PolarHBondContact O-N 3.06Å; I88-Q193 HydrophobicContact CG2-CG 4.06Å
89	M	98.8	Very high	98.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-116.1	154.4	167.9	-60.4	-175.2	-70.5	0	0	110.4	Y10 L15 I19 F85 W86 K87 F185 V188	Y10-M89 WeakPolarHBondContact CE1-O 3.45Å; L15-M89 HydrophobicContact CD1-CB 4.01Å; L15-M89 HydrophobicContact CD1-CE 3.97Å; L15-M89 HydrophobicContact CD1-SD 3.88Å; L15-M89 HydrophobicContact CD2-CB 4.45Å; I19-M89 HydrophobicContact CD1-CE 4.25Å; I19-M89 HydrophobicContact CD1-SD 3.57Å; I19-M89 VanDerWaalsContact CD1-SD 3.57Å; F85-M89 HydrophobicContact CD1-CE 3.58Å; F85-M89 HydrophobicContact CD2-CE 4.18Å; F85-M89 HydrophobicContact CE1-CE 3.28Å; F85-M89 HydrophobicContact CE1-SD 4.12Å; F85-M89 HydrophobicContact CE2-CE 3.91Å; F85-M89 HydrophobicContact CE2-SD 3.94Å; F85-M89 HydrophobicContact CG-CE 4.02Å; F85-M89 HydrophobicContact CZ-CE 3.45Å; F85-M89 VanDerWaalsContact CZ-CE 3.45Å; F85-M89 HydrophobicContact CZ-SD 3.65Å; F85-M89 WeakPolarHBondContact O-CE 3.18Å; W86-M89 HydrophobicContact CE3-CE 3.89Å; W86-M89 HydrophobicContact CZ3-CE 4.07Å; K87-M89 PolarHBondContact O-N 3.28Å; M89-F185 HydrophobicContact CG-CD2 4.5Å; M89-F185 HydrophobicContact CG-CE2 3.96Å; M89-F185 HydrophobicContact SD-CD2 4.26Å; M89-F185 HydrophobicContact SD-CE2 4.15Å; M89-V188 CarbonylContact C-O 3.47Å; M89-V188 WeakPolarHBondContact CA-O 3.4Å; M89-V188 HydrophobicContact CB-CB 4.47Å; M89-V188 HydrophobicContact CB-CG2 4.35Å; M89-V188 HydrophobicContact CG-CG2 4.04Å; M89-V188 HydrophobicContact SD-CG2 3.93Å
90	A	98.7	Very high	98.1	Very high	17 Å²	17	38.2 Å²	38.2	14%	0.14	24%	0.243	C	C	.	.			trans	-158.3	154.2	174.8	0	0	0	0	0	112.2	A93 V188 N190	A90-A93 HydrophobicContact CB-CB 3.89Å; A90-A93 VanDerWaalsContact O-CB 3.29Å; A90-A93 WeakPolarHBondContact O-CB 3.37Å; A90-V188 PolarHBondContact N-O 3.09Å; A90-N190 HydrophobicContact CB-CB 3.89Å
91	P	98.2	Very high	98.1	Very high	54 Å²	54	38 Å²	38	35%	0.351	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	147.9	168.6	26.9	-33.7	0	0	0	111.6	A14 A93	A14-P91 HydrophobicContact CB-CB 4.05Å; A14-P91 HydrophobicContact CB-CG 4.27Å; A14-P91 WeakPolarHBondContact O-CB 3.23Å; P91-A93 PolarHBondContact O-N 3.29Å
92	N	94.8	Very high	98.1	Very high	177 Å²	177	41.2 Å²	41.2	95%	0.947	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	29.6	-179.6	-49.7	-64.3	0	0	0	113.7
93	A	96.9	Very high	98.1	Very high	40 Å²	40	46.3 Å²	46.3	33%	0.331	28%	0.282	S	S	.	.			trans	-102.2	-149.2	178.8	0	0	0	0	0	110.8	A90 P91 D187 V189	A90-A93 HydrophobicContact CB-CB 3.89Å; A90-A93 VanDerWaalsContact O-CB 3.29Å; A90-A93 WeakPolarHBondContact O-CB 3.37Å; P91-A93 PolarHBondContact O-N 3.29Å; A93-D187 CarbonylContact C-O 3.59Å; A93-V189 WeakPolarHBondContact CB-O 3.45Å
94	G	97.1	Very high	98	Very high	16 Å²	16	46.7 Å²	46.7	17%	0.165	29%	0.286	C	S	.	.			trans	76.5	-156.1	-177.7	0	0	0	0	0	113.3	W186 V189	G94-W186 WeakPolarHBondContact CA-O 3.46Å; G94-V189 PolarHBondContact N-O 3.4Å
95	G	96.9	Very high	98	Very high	47 Å²	47	45.1 Å²	45.1	49%	0.485	28%	0.279	S	S	.	.	S	Bend	trans	75.2	-163.2	-172.6	0	0	0	0	0	113.2	W191	G95-W191 PolarHBondContact O-NE1 3.31Å
96	E	97.9	Very high	98	Very high	120 Å²	120	47.6 Å²	47.6	56%	0.561	29%	0.292	S	S	*	.	S	Bend	trans	-73.1	147.3	177.2	-72.1	-170	-163.5	0	0	111.9	F112	E96-F112 HydrophobicContact CG-CD1 4.09Å; E96-F112 HydrophobicContact CG-CE1 4.38Å
97	P	98.5	Very high	97.9	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.026	33%	0.33	C	S	.	.			trans	-59.2	142.6	174.3	24.3	-33.2	0	0	0	111.6	I101 K102 I105 F112 W191	P97-I101 HydrophobicContact CB-CG2 4.2Å; P97-K102 HydrophobicContact CB-CB 4.15Å; P97-K102 HydrophobicContact CG-CB 4.35Å; P97-K102 HydrophobicContact CG-CG 4.23Å; P97-K102 WeakPolarHBondContact O-CB 3.07Å; P97-K102 WeakPolarHBondContact O-CD 3.49Å; P97-K102 WeakPolarHBondContact O-CG 3.46Å; P97-I105 HydrophobicContact CB-CD1 3.98Å; P97-I105 HydrophobicContact CG-CD1 3.92Å; P97-F112 VanDerWaalsContact CD-CG 3.43Å; P97-F112 HydrophobicContact CG-CB 4.09Å; P97-F112 HydrophobicContact CG-CD2 3.83Å; P97-F112 HydrophobicContact CG-CE2 4.38Å; P97-F112 HydrophobicContact CG-CG 3.91Å; P97-W191 HydrophobicContact CB-CD2 3.77Å; P97-W191 HydrophobicContact CB-CE3 3.69Å; P97-W191 HydrophobicContact CB-CG 4.45Å; P97-W191 HydrophobicContact CB-CH2 3.98Å; P97-W191 HydrophobicContact CB-CZ2 4.05Å; P97-W191 HydrophobicContact CB-CZ3 3.78Å; P97-W191 HydrophobicContact CG-CH2 4.38Å; P97-W191 HydrophobicContact CG-CZ2 4.38Å
98	T	97.8	Very high	97.9	Very high	75 Å²	75	52.4 Å²	52.4	46%	0.46	32%	0.321	S	S	.	.			trans	-120	159.8	176.6	60	0	0	0	0	110.5	I101 N195	T98-I101 VanDerWaalsContact O-CG2 3.24Å; T98-I101 WeakPolarHBondContact O-CG2 3.37Å; T98-N195 PolarHBondContact O-ND2 3.32Å; T98-N195 PolarHBondContact O-OD1 3.09Å
99	G	97.9	Very high	97.9	Very high	49 Å²	49	53.3 Å²	53.3	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	-155.4	175.9	0	0	0	0	0	114.7	I101 K102	G99-I101 VanDerWaalsContact C-N 3.27Å; G99-I101 PolarHBondContact O-N 2.9Å; G99-K102 VanDerWaalsContact O-CB 3.3Å; G99-K102 WeakPolarHBondContact O-CB 3.35Å; G99-K102 PolarHBondContact O-N 2.86Å; G99-K102 VanDerWaalsContact O-N 3.11Å
100	A	98	Very high	97.9	Very high	49 Å²	49	55.7 Å²	55.7	41%	0.405	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-27.8	-172.5	0	0	0	0	0	113.6	K102 D103 A104 N195 L198	A100-K102 VanDerWaalsContact C-N 3.29Å; A100-K102 PolarHBondContact O-N 3.16Å; A100-D103 PolarHBondContact O-N 3.24Å; A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 2.7Å; A100-A104 VanDerWaalsContact O-N 3.08Å; A100-N195 PolarHBondContact N-OD1 2.84Å; A100-L198 HydrophobicContact CB-CD2 4.33Å
101	I	98.4	Very high	97.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.2	-33.2	175.3	-171.7	58.7	0	0	0	111.8	P97 T98 G99 A104 I105 L134 L141 I160 W191 A194 N195 L198	P97-I101 HydrophobicContact CB-CG2 4.2Å; T98-I101 VanDerWaalsContact O-CG2 3.24Å; T98-I101 WeakPolarHBondContact O-CG2 3.37Å; G99-I101 VanDerWaalsContact C-N 3.27Å; G99-I101 PolarHBondContact O-N 2.9Å; I101-A104 PolarHBondContact O-N 2.91Å; I101-I105 HydrophobicContact CD1-CD1 4.38Å; I101-I105 HydrophobicContact CD1-CG1 4.39Å; I101-I105 HydrophobicContact CG1-CD1 3.91Å; I101-I105 HydrophobicContact CG1-CG1 4.39Å; I101-I105 WeakPolarHBondContact O-CB 3.29Å; I101-I105 VanDerWaalsContact O-CG1 3.25Å; I101-I105 WeakPolarHBondContact O-CG1 3.08Å; I101-I105 PolarHBondContact O-N 2.92Å; I101-L134 HydrophobicContact CD1-CD2 4.38Å; I101-L141 HydrophobicContact CD1-CD1 3.9Å; I101-I160 HydrophobicContact CD1-CG2 3.69Å; I101-W191 HydrophobicContact CG1-CE3 4.39Å; I101-W191 HydrophobicContact CG1-CZ3 4.23Å; I101-W191 HydrophobicContact CG2-CE3 4.02Å; I101-A194 HydrophobicContact CG1-CB 4.3Å; I101-N195 WeakPolarHBondContact CG2-ND2 3.33Å; I101-N195 WeakPolarHBondContact CG2-OD1 3.2Å; I101-N195 PolarHBondContact N-OD1 3.18Å; I101-L198 HydrophobicContact CB-CD2 4.23Å; I101-L198 HydrophobicContact CD1-CD2 4.03Å
102	K	98.6	Very high	97.9	Very high	70 Å²	70	54.4 Å²	54.4	30%	0.304	34%	0.339	S	S	.	.	H	α-helix	trans	-60.4	-51.4	174.4	-173.4	-172	-179.5	-60.5	0	110.9	P97 G99 A100 A104 I105 D106	P97-K102 HydrophobicContact CB-CB 4.15Å; P97-K102 HydrophobicContact CG-CB 4.35Å; P97-K102 HydrophobicContact CG-CG 4.23Å; P97-K102 WeakPolarHBondContact O-CB 3.07Å; P97-K102 WeakPolarHBondContact O-CD 3.49Å; P97-K102 WeakPolarHBondContact O-CG 3.46Å; G99-K102 VanDerWaalsContact O-CB 3.3Å; G99-K102 WeakPolarHBondContact O-CB 3.35Å; G99-K102 PolarHBondContact O-N 2.86Å; G99-K102 VanDerWaalsContact O-N 3.11Å; A100-K102 VanDerWaalsContact C-N 3.29Å; A100-K102 PolarHBondContact O-N 3.16Å; K102-A104 VanDerWaalsContact C-N 3.29Å; K102-A104 PolarHBondContact O-N 3.13Å; K102-I105 PolarHBondContact O-N 3.25Å; K102-I105 VanDerWaalsContact O-N 3.17Å; K102-D106 IonicContact NZ-OD2 2.81Å; K102-D106 PolarHBondContact NZ-OD2 3.44Å; K102-D106 PolarHBondContact O-N 3.22Å
103	D	98.1	Very high	98.1	Very high	107 Å²	107	50.4 Å²	50.4	57%	0.572	32%	0.315	S	S	*	.	H	α-helix	trans	-62	-39.7	-179.8	-64.1	-26.3	0	0	0	111.5	A100 D106 Q107	A100-D103 PolarHBondContact O-N 3.24Å; D103-D106 PolarHBondContact O-N 3.29Å; D103-Q107 WeakPolarHBondContact O-CB 3.27Å; D103-Q107 PolarHBondContact O-N 2.91Å
104	A	98	Very high	98.2	Very high	19 Å²	19	54 Å²	54	16%	0.157	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-38.6	176.5	0	0	0	0	0	112.4	A100 I101 K102 A108 L141 L198	A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 2.7Å; A100-A104 VanDerWaalsContact O-N 3.08Å; I101-A104 PolarHBondContact O-N 2.91Å; K102-A104 VanDerWaalsContact C-N 3.29Å; K102-A104 PolarHBondContact O-N 3.13Å; A104-A108 WeakPolarHBondContact O-CB 3.37Å; A104-A108 PolarHBondContact O-N 3.35Å; A104-L141 HydrophobicContact CB-CD1 3.63Å; A104-L141 HydrophobicContact CB-CG 4.24Å; A104-L198 HydrophobicContact CB-CD2 3.96Å
105	I	98.7	Very high	98.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-48.7	174.2	-75.2	165.6	0	0	0	110.3	P97 I101 K102 Q107 A108 F109 F112 M115 L141 W191	P97-I105 HydrophobicContact CB-CD1 3.98Å; P97-I105 HydrophobicContact CG-CD1 3.92Å; I101-I105 HydrophobicContact CD1-CD1 4.38Å; I101-I105 HydrophobicContact CD1-CG1 4.39Å; I101-I105 HydrophobicContact CG1-CD1 3.91Å; I101-I105 HydrophobicContact CG1-CG1 4.39Å; I101-I105 WeakPolarHBondContact O-CB 3.29Å; I101-I105 VanDerWaalsContact O-CG1 3.25Å; I101-I105 WeakPolarHBondContact O-CG1 3.08Å; I101-I105 PolarHBondContact O-N 2.92Å; K102-I105 PolarHBondContact O-N 3.25Å; K102-I105 VanDerWaalsContact O-N 3.17Å; I105-Q107 VanDerWaalsContact C-N 3.27Å; I105-Q107 PolarHBondContact O-N 2.82Å; I105-A108 PolarHBondContact O-N 2.84Å; I105-F109 HydrophobicContact CG2-CD2 4.28Å; I105-F109 WeakPolarHBondContact O-CD2 3.4Å; I105-F109 PolarHBondContact O-N 3.01Å; I105-F112 HydrophobicContact CG2-CB 4.41Å; I105-M115 HydrophobicContact CD1-CE 4.09Å; I105-M115 HydrophobicContact CG2-CB 3.94Å; I105-M115 HydrophobicContact CG2-CG 4.24Å; I105-L141 HydrophobicContact CG1-CD1 4.01Å; I105-W191 HydrophobicContact CD1-CH2 4.12Å; I105-W191 HydrophobicContact CD1-CZ3 3.91Å
106	D	98.4	Very high	98.3	Very high	52 Å²	52	54.2 Å²	54.2	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-38.7	179.2	-71.1	-20.4	0	0	0	111	K102 D103 G110	K102-D106 IonicContact NZ-OD2 2.81Å; K102-D106 PolarHBondContact NZ-OD2 3.44Å; K102-D106 PolarHBondContact O-N 3.22Å; D103-D106 PolarHBondContact O-N 3.29Å; D106-G110 WeakPolarHBondContact O-CA 3.45Å; D106-G110 PolarHBondContact O-N 3.19Å
107	Q	97.9	Very high	98.3	Very high	176 Å²	176	54.7 Å²	54.7	82%	0.822	31%	0.309	S	S	*	.	H	α-helix	trans	-66.6	-40	175.9	-174.9	-179.6	5.8	0	0	113.1	D103 I105	D103-Q107 WeakPolarHBondContact O-CB 3.27Å; D103-Q107 PolarHBondContact O-N 2.91Å; I105-Q107 VanDerWaalsContact C-N 3.27Å; I105-Q107 PolarHBondContact O-N 2.82Å
108	A	98.3	Very high	98.4	Very high	27 Å²	27	59.3 Å²	59.3	22%	0.223	33%	0.33	C	S	.	.	H	α-helix	trans	-84.4	-39.6	-173.6	0	0	0	0	0	113.3	A104 I105 L141	A104-A108 WeakPolarHBondContact O-CB 3.37Å; A104-A108 PolarHBondContact O-N 3.35Å; I105-A108 PolarHBondContact O-N 2.84Å; A108-L141 HydrophobicContact CB-CB 3.86Å
109	F	98.6	Very high	98.4	Very high	20 Å²	20	55.7 Å²	55.7	9%	0.088	31%	0.308	C	S	.	.	H	α-helix	trans	-117.9	-10.7	-170.4	-52.8	-78.1	0	0	0	113.1	I105 S111 K114 M115 L134 L141 I143	I105-F109 HydrophobicContact CG2-CD2 4.28Å; I105-F109 WeakPolarHBondContact O-CD2 3.4Å; I105-F109 PolarHBondContact O-N 3.01Å; F109-S111 PolarHBondContact O-N 3.42Å; F109-K114 WeakPolarHBondContact O-CB 3.34Å; F109-K114 VanDerWaalsContact O-CD 3.23Å; F109-K114 WeakPolarHBondContact O-CD 2.87Å; F109-M115 HydrophobicContact CB-CB 3.87Å; F109-M115 HydrophobicContact CD1-CB 4.39Å; F109-M115 HydrophobicContact CD1-CG 4.34Å; F109-M115 HydrophobicContact CD2-CB 3.7Å; F109-M115 HydrophobicContact CD2-CG 3.43Å; F109-M115 VanDerWaalsContact CD2-CG 3.43Å; F109-M115 HydrophobicContact CE1-CG 4.47Å; F109-M115 HydrophobicContact CE2-CB 4.37Å; F109-M115 HydrophobicContact CE2-CG 3.6Å; F109-M115 HydrophobicContact CG-CB 3.71Å; F109-M115 HydrophobicContact CG-CG 3.84Å; F109-M115 HydrophobicContact CZ-CG 4.14Å; F109-L134 HydrophobicContact CE2-CD1 3.72Å; F109-L134 HydrophobicContact CZ-CD1 3.75Å; F109-L141 HydrophobicContact CE2-CB 3.89Å; F109-L141 HydrophobicContact CE2-CD1 4.47Å; F109-L141 HydrophobicContact CZ-CB 4.25Å; F109-I143 HydrophobicContact CD1-CD1 4.21Å; F109-I143 HydrophobicContact CE1-CD1 3.59Å; F109-I143 HydrophobicContact CE1-CG1 3.86Å; F109-I143 HydrophobicContact CZ-CD1 3.91Å; F109-I143 HydrophobicContact CZ-CG1 3.82Å
110	G	98.4	Very high	98.4	Very high	51 Å²	51	58 Å²	58	53%	0.526	30%	0.304	S	S	.	.	S	Bend	trans	84.8	-25.7	-178.3	0	0	0	0	0	114.7	D106	D106-G110 WeakPolarHBondContact O-CA 3.45Å; D106-G110 PolarHBondContact O-N 3.19Å
111	S	98.4	Very high	98.5	Very high	32 Å²	32	60.6 Å²	60.6	22%	0.224	32%	0.315	C	S	.	.	S	Bend	trans	-163.5	164.1	168.1	68.5	0	0	0	0	111.3	F109 E113 K114 M115	F109-S111 PolarHBondContact O-N 3.42Å; S111-E113 VanDerWaalsContact C-N 3.28Å; S111-E113 PolarHBondContact O-N 3.28Å; S111-K114 PolarHBondContact O-N 3.4Å; S111-K114 PolarHBondContact OG-N 3.49Å; S111-M115 PolarHBondContact O-N 2.81Å; S111-M115 VanDerWaalsContact O-N 3.11Å
112	F	98.5	Very high	98.5	Very high	11 Å²	11	61.5 Å²	61.5	5%	0.048	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-38.9	172	176.3	-130.9	0	0	0	112.9	E96 P97 I105 K114 M115 K116 W186 W191	E96-F112 HydrophobicContact CG-CD1 4.09Å; E96-F112 HydrophobicContact CG-CE1 4.38Å; P97-F112 VanDerWaalsContact CD-CG 3.43Å; P97-F112 HydrophobicContact CG-CB 4.09Å; P97-F112 HydrophobicContact CG-CD2 3.83Å; P97-F112 HydrophobicContact CG-CE2 4.38Å; P97-F112 HydrophobicContact CG-CG 3.91Å; I105-F112 HydrophobicContact CG2-CB 4.41Å; F112-K114 PolarHBondContact O-N 3.18Å; F112-M115 HydrophobicContact CD2-CE 3.52Å; F112-M115 HydrophobicContact CE2-CE 3.53Å; F112-M115 WeakPolarHBondContact O-CB 3.47Å; F112-M115 PolarHBondContact O-N 3.42Å; F112-K116 HydrophobicContact CD1-CD 4.13Å; F112-K116 HydrophobicContact CD2-CD 4.35Å; F112-K116 HydrophobicContact CD2-CG 4.11Å; F112-K116 HydrophobicContact CE1-CD 3.58Å; F112-K116 HydrophobicContact CE1-CG 4.36Å; F112-K116 HydrophobicContact CE2-CD 3.78Å; F112-K116 HydrophobicContact CE2-CG 3.68Å; F112-K116 HydrophobicContact CZ-CD 3.39Å; F112-K116 HydrophobicContact CZ-CG 3.86Å; F112-K116 PolarHBondContact O-N 2.83Å; F112-W186 HydrophobicContact CE2-CE3 4.15Å; F112-W186 HydrophobicContact CE2-CZ3 4.14Å; F112-W186 HydrophobicContact CZ-CE3 4.13Å; F112-W191 HydrophobicContact CD2-CH2 4.32Å; F112-W191 HydrophobicContact CD2-CZ2 4.34Å; F112-W191 AromaticContact CE2-CH2 3.63Å; F112-W191 HydrophobicContact CE2-CH2 3.63Å; F112-W191 AromaticContact CE2-CZ2 3.42Å; F112-W191 HydrophobicContact CE2-CZ2 3.42Å; F112-W191 VanDerWaalsContact CE2-CZ2 3.42Å; F112-W191 HydrophobicContact CZ-CH2 4.3Å; F112-W191 AromaticContact CZ-CZ2 3.61Å; F112-W191 HydrophobicContact CZ-CZ2 3.61Å
113	E	98.4	Very high	98.5	Very high	94 Å²	94	58.2 Å²	58.2	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-64.1	-43.9	-178.7	-79	52.5	-135.7	0	0	110.9	S111 K116 E117	S111-E113 VanDerWaalsContact C-N 3.28Å; S111-E113 PolarHBondContact O-N 3.28Å; E113-K116 PolarHBondContact O-N 3.21Å; E113-E117 WeakPolarHBondContact O-CG 3.31Å; E113-E117 PolarHBondContact O-N 2.72Å
114	K	98.7	Very high	98.5	Very high	115 Å²	115	56 Å²	56	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-40.9	175.1	-72.2	-178.7	176.2	-176.8	0	111.6	F109 S111 F112 K116 E117 E118	F109-K114 WeakPolarHBondContact O-CB 3.34Å; F109-K114 VanDerWaalsContact O-CD 3.23Å; F109-K114 WeakPolarHBondContact O-CD 2.87Å; S111-K114 PolarHBondContact O-N 3.4Å; S111-K114 PolarHBondContact OG-N 3.49Å; F112-K114 PolarHBondContact O-N 3.18Å; K114-K116 VanDerWaalsContact C-N 3.35Å; K114-K116 PolarHBondContact O-N 3.15Å; K114-E117 PolarHBondContact O-N 2.96Å; K114-E118 PolarHBondContact O-N 3.17Å
115	M	98.6	Very high	98.5	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-45.6	173.4	-170.6	-76.1	-66.7	0	0	111	I105 F109 S111 F112 E117 E118 F119 I143 W186 W191	I105-M115 HydrophobicContact CD1-CE 4.09Å; I105-M115 HydrophobicContact CG2-CB 3.94Å; I105-M115 HydrophobicContact CG2-CG 4.24Å; F109-M115 HydrophobicContact CB-CB 3.87Å; F109-M115 HydrophobicContact CD1-CB 4.39Å; F109-M115 HydrophobicContact CD1-CG 4.34Å; F109-M115 HydrophobicContact CD2-CB 3.7Å; F109-M115 HydrophobicContact CD2-CG 3.43Å; F109-M115 VanDerWaalsContact CD2-CG 3.43Å; F109-M115 HydrophobicContact CE1-CG 4.47Å; F109-M115 HydrophobicContact CE2-CB 4.37Å; F109-M115 HydrophobicContact CE2-CG 3.6Å; F109-M115 HydrophobicContact CG-CB 3.71Å; F109-M115 HydrophobicContact CG-CG 3.84Å; F109-M115 HydrophobicContact CZ-CG 4.14Å; S111-M115 PolarHBondContact O-N 2.81Å; S111-M115 VanDerWaalsContact O-N 3.11Å; F112-M115 HydrophobicContact CD2-CE 3.52Å; F112-M115 HydrophobicContact CE2-CE 3.53Å; F112-M115 WeakPolarHBondContact O-CB 3.47Å; F112-M115 PolarHBondContact O-N 3.42Å; M115-E117 VanDerWaalsContact C-N 3.34Å; M115-E117 PolarHBondContact O-N 3.38Å; M115-E118 PolarHBondContact O-N 3.48Å; M115-F119 VanDerWaalsContact O-CB 3.3Å; M115-F119 WeakPolarHBondContact O-CB 3.22Å; M115-F119 PolarHBondContact O-N 3.17Å; M115-F119 HydrophobicContact SD-CB 4.22Å; M115-I143 HydrophobicContact CG-CD1 4.04Å; M115-I143 WeakPolarHBondContact O-CD1 3.4Å; M115-I143 HydrophobicContact SD-CD1 4.19Å; M115-W186 HydrophobicContact CE-CH2 3.81Å; M115-W186 HydrophobicContact CE-CZ3 3.93Å; M115-W186 HydrophobicContact SD-CH2 4.08Å; M115-W191 HydrophobicContact CE-CH2 4.27Å
116	K	98.4	Very high	98.5	Very high	67 Å²	67	60.8 Å²	60.8	29%	0.291	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-39.8	175.9	-78.2	-176	60.7	166.1	0	112.8	F112 E113 K114 F119 K120 W186	F112-K116 HydrophobicContact CD1-CD 4.13Å; F112-K116 HydrophobicContact CD2-CD 4.35Å; F112-K116 HydrophobicContact CD2-CG 4.11Å; F112-K116 HydrophobicContact CE1-CD 3.58Å; F112-K116 HydrophobicContact CE1-CG 4.36Å; F112-K116 HydrophobicContact CE2-CD 3.78Å; F112-K116 HydrophobicContact CE2-CG 3.68Å; F112-K116 HydrophobicContact CZ-CD 3.39Å; F112-K116 HydrophobicContact CZ-CG 3.86Å; F112-K116 PolarHBondContact O-N 2.83Å; E113-K116 PolarHBondContact O-N 3.21Å; K114-K116 VanDerWaalsContact C-N 3.35Å; K114-K116 PolarHBondContact O-N 3.15Å; K116-F119 PolarHBondContact O-N 3.06Å; K116-K120 VanDerWaalsContact O-CB 3.22Å; K116-K120 WeakPolarHBondContact O-CB 3.36Å; K116-K120 PolarHBondContact O-N 3Å; K116-W186 HydrophobicContact CB-CZ2 4.44Å; K116-W186 HydrophobicContact CD-CD2 4.04Å; K116-W186 HydrophobicContact CD-CG 4.16Å; K116-W186 VanDerWaalsContact CE-CD1 3.46Å; K116-W186 HydrophobicContact CG-CD2 3.98Å; K116-W186 HydrophobicContact CG-CE3 4.31Å; K116-W186 HydrophobicContact CG-CH2 4.22Å; K116-W186 HydrophobicContact CG-CZ2 3.88Å; K116-W186 HydrophobicContact CG-CZ3 4.43Å
117	E	98.6	Very high	98.5	Very high	130 Å²	130	67.8 Å²	67.8	61%	0.607	36%	0.36	S	S	*	.	H	α-helix	trans	-63.7	-47.1	176.4	-73.9	174.8	-177.3	0	0	112	E113 K114 M115 K120 T121	E113-E117 WeakPolarHBondContact O-CG 3.31Å; E113-E117 PolarHBondContact O-N 2.72Å; K114-E117 PolarHBondContact O-N 2.96Å; M115-E117 VanDerWaalsContact C-N 3.34Å; M115-E117 PolarHBondContact O-N 3.38Å; E117-K120 PolarHBondContact O-N 3.31Å; E117-T121 WeakPolarHBondContact O-CB 3.36Å; E117-T121 PolarHBondContact O-N 3.48Å; E117-T121 PolarHBondContact O-OG1 3.36Å
118	E	98.7	Very high	98.5	Very high	100 Å²	100	61.3 Å²	61.3	47%	0.467	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-42.2	175.5	-73.4	-173	-144.3	0	0	111.4	K114 M115 T121 A122 I143	K114-E118 PolarHBondContact O-N 3.17Å; M115-E118 PolarHBondContact O-N 3.48Å; E118-T121 WeakPolarHBondContact O-CB 3.21Å; E118-T121 PolarHBondContact O-N 3.24Å; E118-A122 PolarHBondContact O-N 3.46Å; E118-I143 HydrophobicContact CB-CD1 3.41Å; E118-I143 VanDerWaalsContact CB-CD1 3.41Å
119	F	98.8	Very high	98.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-66.5	-43.9	-179.6	-169.6	-77.5	0	0	0	110.8	M115 K116 T121 A122 A123 A132 I143 L163 F185 W186	M115-F119 VanDerWaalsContact O-CB 3.3Å; M115-F119 WeakPolarHBondContact O-CB 3.22Å; M115-F119 PolarHBondContact O-N 3.17Å; M115-F119 HydrophobicContact SD-CB 4.22Å; K116-F119 PolarHBondContact O-N 3.06Å; F119-T121 VanDerWaalsContact C-N 3.26Å; F119-T121 PolarHBondContact O-N 3.04Å; F119-A122 PolarHBondContact O-N 2.95Å; F119-A123 HydrophobicContact CD1-CB 4.44Å; F119-A123 HydrophobicContact CE1-CB 4.38Å; F119-A123 WeakPolarHBondContact O-CB 3.48Å; F119-A123 PolarHBondContact O-N 3.15Å; F119-A132 HydrophobicContact CD1-CB 4.49Å; F119-A132 HydrophobicContact CE1-CB 3.91Å; F119-A132 HydrophobicContact CE2-CB 4.36Å; F119-A132 HydrophobicContact CZ-CB 3.83Å; F119-I143 HydrophobicContact CB-CD1 4.05Å; F119-I143 HydrophobicContact CD2-CG1 4.48Å; F119-L163 HydrophobicContact CE1-CB 3.76Å; F119-L163 HydrophobicContact CE1-CD2 3.99Å; F119-L163 HydrophobicContact CZ-CB 3.76Å; F119-F185 HydrophobicContact CE1-CE1 4.46Å; F119-F185 HydrophobicContact CZ-CE1 4.42Å; F119-W186 HydrophobicContact CB-CH2 4.22Å; F119-W186 HydrophobicContact CB-CZ2 3.91Å; F119-W186 HydrophobicContact CD1-CH2 4.04Å; F119-W186 AromaticContact CD1-CZ2 3.56Å; F119-W186 HydrophobicContact CD1-CZ2 3.56Å; F119-W186 HydrophobicContact CD2-CH2 4.2Å; F119-W186 HydrophobicContact CD2-CZ2 4.47Å; F119-W186 HydrophobicContact CE1-CH2 4.48Å; F119-W186 HydrophobicContact CE1-CZ2 4.19Å; F119-W186 AromaticContact CG-CH2 3.89Å; F119-W186 HydrophobicContact CG-CH2 3.89Å; F119-W186 AromaticContact CG-CZ2 3.73Å; F119-W186 HydrophobicContact CG-CZ2 3.73Å
120	K	98.6	Very high	98.5	Very high	98 Å²	98	60.8 Å²	60.8	43%	0.426	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-39.8	174.5	-179.2	177.6	-179.5	176.1	0	111.4	K116 E117 T124 I182	K116-K120 VanDerWaalsContact O-CB 3.22Å; K116-K120 WeakPolarHBondContact O-CB 3.36Å; K116-K120 PolarHBondContact O-N 3Å; E117-K120 PolarHBondContact O-N 3.31Å; K120-T124 VanDerWaalsContact O-CB 3.22Å; K120-T124 WeakPolarHBondContact O-CB 3.3Å; K120-T124 PolarHBondContact O-N 3.03Å; K120-T124 PolarHBondContact O-OG1 2.95Å; K120-I182 HydrophobicContact CB-CG2 4.24Å; K120-I182 HydrophobicContact CG-CG2 4.19Å
121	T	98.7	Very high	98.5	Very high	102 Å²	102	58.4 Å²	58.4	63%	0.626	31%	0.313	S	S	*	.	H	α-helix	trans	-63.2	-45.7	176.5	-59.5	0	0	0	0	111	E117 E118 F119 G125	E117-T121 WeakPolarHBondContact O-CB 3.36Å; E117-T121 PolarHBondContact O-N 3.48Å; E117-T121 PolarHBondContact O-OG1 3.36Å; E118-T121 WeakPolarHBondContact O-CB 3.21Å; E118-T121 PolarHBondContact O-N 3.24Å; F119-T121 VanDerWaalsContact C-N 3.26Å; F119-T121 PolarHBondContact O-N 3.04Å; T121-G125 WeakPolarHBondContact O-CA 3.48Å; T121-G125 PolarHBondContact O-N 2.88Å
122	A	98.7	Very high	98.5	Very high	20 Å²	20	56.9 Å²	56.9	17%	0.165	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-45.6	176.7	0	0	0	0	0	112.8	E118 F119 G125 R126 I143	E118-A122 PolarHBondContact O-N 3.46Å; F119-A122 PolarHBondContact O-N 2.95Å; A122-G125 PolarHBondContact O-N 2.81Å; A122-R126 PolarHBondContact O-N 3.31Å; A122-R126 VanDerWaalsContact O-N 3.09Å; A122-I143 HydrophobicContact CB-CG2 3.56Å
123	A	98.8	Very high	98.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-40	180	0	0	0	0	0	113	F119 A132 L163 V165 R178 I182	F119-A123 HydrophobicContact CD1-CB 4.44Å; F119-A123 HydrophobicContact CE1-CB 4.38Å; F119-A123 WeakPolarHBondContact O-CB 3.48Å; F119-A123 PolarHBondContact O-N 3.15Å; A123-A132 HydrophobicContact CB-CB 3.6Å; A123-L163 HydrophobicContact CB-CD2 4.37Å; A123-V165 HydrophobicContact CB-CG1 4.07Å; A123-R178 PolarHBondContact O-NH1 3.29Å; A123-I182 HydrophobicContact CB-CD1 3.56Å; A123-I182 HydrophobicContact CB-CG1 3.92Å; A123-I182 HydrophobicContact CB-CG2 4.37Å
124	T	98.1	Very high	98.6	Very high	62 Å²	62	52 Å²	52	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-73.6	-40.5	176.4	-53	0	0	0	0	111.1	K120 R126 P179 I182	K120-T124 VanDerWaalsContact O-CB 3.22Å; K120-T124 WeakPolarHBondContact O-CB 3.3Å; K120-T124 PolarHBondContact O-N 3.03Å; K120-T124 PolarHBondContact O-OG1 2.95Å; T124-R126 VanDerWaalsContact C-N 3.3Å; T124-R126 PolarHBondContact O-N 3.26Å; T124-P179 HydrophobicContact CG2-CG 4.45Å; T124-I182 WeakPolarHBondContact OG1-CD1 3.48Å
125	G	97.9	Very high	98.6	Very high	61 Å²	61	46.5 Å²	46.5	63%	0.629	26%	0.255	S	S	*	.	H	α-helix	trans	-73.5	-15.7	-177.1	0	0	0	0	0	114.7	T121 A122 F127	T121-G125 WeakPolarHBondContact O-CA 3.48Å; T121-G125 PolarHBondContact O-N 2.88Å; A122-G125 PolarHBondContact O-N 2.81Å; G125-F127 PolarHBondContact O-N 2.72Å
126	R	98.6	Very high	98.6	Very high	58 Å²	58	47.1 Å²	47.1	22%	0.219	26%	0.259	C	S	.	.			trans	-66.4	95.8	173.3	176.5	47.6	56.5	-176	5.8	110.4	A122 T124 S145 T146 V165 R178	A122-R126 PolarHBondContact O-N 3.31Å; A122-R126 VanDerWaalsContact O-N 3.09Å; T124-R126 VanDerWaalsContact C-N 3.3Å; T124-R126 PolarHBondContact O-N 3.26Å; R126-S145 PolarHBondContact NE-OG 2.87Å; R126-S145 PolarHBondContact NH2-O 3.45Å; R126-S145 PolarHBondContact NH2-OG 3.47Å; R126-T146 PolarHBondContact NE-O 3.03Å; R126-V165 HydrophobicContact CB-CG2 4.08Å; R126-V165 HydrophobicContact CG-CG2 3.84Å; R126-R178 PolarHBondContact O-NH1 2.83Å
127	F	98	Very high	98.5	Very high	199 Å²	199	45.9 Å²	45.9	87%	0.873	26%	0.255	S	S	*	.			trans	-71	134.8	177.9	-169.9	-99.1	0	0	0	111.8	G125	G125-F127 PolarHBondContact O-N 2.72Å
128	G	97.8	Very high	98.3	Very high	40 Å²	40	47.3 Å²	47.3	41%	0.412	27%	0.267	S	S	.	.	S	Bend	trans	73	-146.2	-172.8	0	0	0	0	0	112.3	R178	G128-R178 PolarHBondContact O-NH2 3.39Å
129	S	98.7	Very high	98.1	Very high	36 Å²	36	45.7 Å²	45.7	25%	0.252	28%	0.277	S	S	.	.	S	Bend	trans	-82.9	143.4	179.2	-67.8	0	0	0	0	112.4	N148 W166	S129-N148 PolarHBondContact O-N 3.27Å; S129-W166 VanDerWaalsContact CB-CD2 3.42Å; S129-W166 VanDerWaalsContact CB-CE2 3.42Å; S129-W166 WeakPolarHBondContact OG-CZ3 3.41Å
130	G	98.8	Very high	98	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165	-159.9	175.9	0	0	0	0	0	113.8	T146 V165 W166	G130-T146 WeakPolarHBondContact CA-O 3.42Å; G130-V165 VanDerWaalsContact C-CG2 3.49Å; G130-V165 CarbonylContact O-C 3.4Å; G130-V165 WeakPolarHBondContact O-CG2 3.46Å; G130-V165 PolarHBondContact O-N 2.72Å; G130-W166 PolarHBondContact O-N 2.98Å
131	W	98.9	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151	-175.6	-64.5	80.4	0	0	0	110.7	N81 H82 F85 W133 S145 T146 N148 L163 D164 W166	N81-W131 HydrophobicContact CB-CD2 4.3Å; N81-W131 HydrophobicContact CB-CH2 3.89Å; N81-W131 HydrophobicContact CB-CZ2 3.54Å; N81-W131 HydrophobicContact CB-CZ3 4.39Å; N81-W131 PolarHBondContact ND2-NE1 3.17Å; H82-W131 AromaticContact CE1-CZ2 3.66Å; H82-W131 AromaticContact ND1-CZ2 3.86Å; F85-W131 HydrophobicContact CB-CH2 3.95Å; F85-W131 HydrophobicContact CB-CZ3 3.87Å; F85-W131 HydrophobicContact CD1-CH2 4.46Å; F85-W131 AromaticContact CD2-CZ3 3.85Å; F85-W131 HydrophobicContact CD2-CZ3 3.85Å; F85-W131 HydrophobicContact CG-CH2 4.09Å; F85-W131 AromaticContact CG-CZ3 3.84Å; F85-W131 HydrophobicContact CG-CZ3 3.84Å; W131-W133 HydrophobicContact CB-CD2 4.3Å; W131-W133 HydrophobicContact CB-CH2 4.35Å; W131-W133 HydrophobicContact CB-CZ2 3.36Å; W131-W133 AromaticContact CD2-CH2 3.92Å; W131-W133 HydrophobicContact CD2-CH2 3.92Å; W131-W133 AromaticContact CD2-CZ2 3.64Å; W131-W133 HydrophobicContact CD2-CZ2 3.64Å; W131-W133 AromaticContact CE3-CH2 3.68Å; W131-W133 HydrophobicContact CE3-CH2 3.68Å; W131-W133 AromaticContact CE3-CZ2 3.83Å; W131-W133 HydrophobicContact CE3-CZ2 3.83Å; W131-W133 HydrophobicContact CE3-CZ3 4.36Å; W131-W133 AromaticContact CG-CE2 3.96Å; W131-W133 HydrophobicContact CG-CH2 4.21Å; W131-W133 AromaticContact CG-CZ2 3.44Å; W131-W133 HydrophobicContact CG-CZ2 3.44Å; W131-W133 VanDerWaalsContact CG-CZ2 3.44Å; W131-W133 HydrophobicContact CZ3-CH2 4.31Å; W131-S145 CarbonylContact O-C 3.58Å; W131-S145 WeakPolarHBondContact O-CA 3.19Å; W131-S145 WeakPolarHBondContact O-CB 3.18Å; W131-T146 PolarHBondContact N-O 3.16Å; W131-T146 PolarHBondContact O-N 3.25Å; W131-N148 PolarHBondContact NE1-O 3.18Å; W131-L163 VanDerWaalsContact CA-O 3.28Å; W131-L163 WeakPolarHBondContact CA-O 3.46Å; W131-L163 VanDerWaalsContact CE3-C 3.47Å; W131-D164 HydrophobicContact CD2-CB 4.24Å; W131-D164 VanDerWaalsContact CE3-CA 3.45Å; W131-D164 HydrophobicContact CE3-CB 3.9Å; W131-D164 VanDerWaalsContact CE3-N 3.32Å; W131-D164 HydrophobicContact CH2-CB 3.51Å; W131-D164 HydrophobicContact CZ2-CB 3.89Å; W131-D164 HydrophobicContact CZ3-CB 3.52Å; W131-W166 AromaticContact NE1-NE1 3.86Å
132	A	98.9	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145	163.2	0	0	0	0	0	109.9	F119 A123 G162 L163	F119-A132 HydrophobicContact CD1-CB 4.49Å; F119-A132 HydrophobicContact CE1-CB 3.91Å; F119-A132 HydrophobicContact CE2-CB 4.36Å; F119-A132 HydrophobicContact CZ-CB 3.83Å; A123-A132 HydrophobicContact CB-CB 3.6Å; A132-G162 CarbonylContact O-C 3.48Å; A132-G162 VanDerWaalsContact O-CA 3.26Å; A132-G162 WeakPolarHBondContact O-CA 3.22Å; A132-L163 PolarHBondContact N-O 3.44Å; A132-L163 PolarHBondContact O-N 3.04Å
133	W	98.9	Very high	98	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	141.1	-172	-52.3	95.8	0	0	0	111.6	N81 F84 W131 V135 I143 T144 T146 P152 P159 I161	N81-W133 HydrophobicContact CB-CH2 3.94Å; N81-W133 HydrophobicContact CB-CZ2 4.4Å; F84-W133 AromaticContact CD1-CZ3 3.81Å; F84-W133 HydrophobicContact CD1-CZ3 3.81Å; F84-W133 HydrophobicContact CE1-CE3 4.29Å; F84-W133 AromaticContact CE1-CZ3 3.81Å; F84-W133 HydrophobicContact CE1-CZ3 3.81Å; W131-W133 HydrophobicContact CB-CD2 4.3Å; W131-W133 HydrophobicContact CB-CH2 4.35Å; W131-W133 HydrophobicContact CB-CZ2 3.36Å; W131-W133 AromaticContact CD2-CH2 3.92Å; W131-W133 HydrophobicContact CD2-CH2 3.92Å; W131-W133 AromaticContact CD2-CZ2 3.64Å; W131-W133 HydrophobicContact CD2-CZ2 3.64Å; W131-W133 AromaticContact CE3-CH2 3.68Å; W131-W133 HydrophobicContact CE3-CH2 3.68Å; W131-W133 AromaticContact CE3-CZ2 3.83Å; W131-W133 HydrophobicContact CE3-CZ2 3.83Å; W131-W133 HydrophobicContact CE3-CZ3 4.36Å; W131-W133 AromaticContact CG-CE2 3.96Å; W131-W133 HydrophobicContact CG-CH2 4.21Å; W131-W133 AromaticContact CG-CZ2 3.44Å; W131-W133 HydrophobicContact CG-CZ2 3.44Å; W131-W133 VanDerWaalsContact CG-CZ2 3.44Å; W131-W133 HydrophobicContact CZ3-CH2 4.31Å; W133-V135 HydrophobicContact CB-CG1 3.52Å; W133-V135 HydrophobicContact CG-CG1 4.38Å; W133-I143 WeakPolarHBondContact O-CA 3.38Å; W133-T144 HydrophobicContact CB-CG2 3.98Å; W133-T144 HydrophobicContact CG-CG2 4.48Å; W133-T144 PolarHBondContact N-O 2.95Å; W133-T144 PolarHBondContact O-N 3.06Å; W133-T146 PolarHBondContact NE1-OG1 3.24Å; W133-P152 HydrophobicContact CB-CG 4.12Å; W133-P152 HydrophobicContact CD2-CG 3.67Å; W133-P152 HydrophobicContact CE3-CG 4.25Å; W133-P152 HydrophobicContact CG-CG 3.58Å; W133-P159 HydrophobicContact CE3-CB 4.09Å; W133-P159 HydrophobicContact CZ3-CB 4.22Å; W133-I161 WeakPolarHBondContact CA-O 3.2Å
134	L	98.9	Very high	98	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.3	153.5	179.1	67.1	0	0	0	106.6	I101 F109 L141 I143 I160 I161	I101-L134 HydrophobicContact CD1-CD2 4.38Å; F109-L134 HydrophobicContact CE2-CD1 3.72Å; F109-L134 HydrophobicContact CZ-CD1 3.75Å; L134-L141 HydrophobicContact CD1-CB 4.08Å; L134-L141 HydrophobicContact CD1-CD1 4.34Å; L134-L141 HydrophobicContact CD1-CD2 4.4Å; L134-L141 HydrophobicContact CD2-CD1 4.38Å; L134-L141 HydrophobicContact CG-CD2 4.32Å; L134-I143 HydrophobicContact CD1-CG1 4.18Å; L134-I160 HydrophobicContact CD2-CB 4.49Å; L134-I160 HydrophobicContact CD2-CG2 4.33Å; L134-I160 HydrophobicContact CG-CB 4.38Å; L134-I160 WeakPolarHBondContact O-CB 3.4Å; L134-I160 PolarHBondContact O-N 3.22Å; L134-I161 HydrophobicContact CB-CB 4.25Å; L134-I161 PolarHBondContact N-O 2.86Å; L134-I161 PolarHBondContact O-N 3.46Å
135	V	98.8	Very high	98	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	151.6	-175.6	-53.8	0	0	0	0	111	W133 L141 E142 T144 P152 K157 T158	W133-V135 HydrophobicContact CB-CG1 3.52Å; W133-V135 HydrophobicContact CG-CG1 4.38Å; V135-L141 VanDerWaalsContact O-CA 3.32Å; V135-L141 WeakPolarHBondContact O-CA 3.26Å; V135-E142 HydrophobicContact CG2-CG 3.38Å; V135-E142 PolarHBondContact N-O 3.34Å; V135-E142 PolarHBondContact O-N 3.5Å; V135-T144 HydrophobicContact CG1-CG2 4.05Å; V135-T144 HydrophobicContact CG2-CG2 4.16Å; V135-P152 HydrophobicContact CG1-CB 3.75Å; V135-P152 HydrophobicContact CG1-CG 3.7Å; V135-K157 HydrophobicContact CB-CB 4.25Å; V135-K157 HydrophobicContact CG2-CB 4.23Å; V135-K157 HydrophobicContact CG2-CD 3.94Å; V135-T158 CarbonylContact C-O 3.5Å; V135-T158 VanDerWaalsContact CA-O 3.25Å; V135-T158 WeakPolarHBondContact CA-O 3.31Å; V135-T158 WeakPolarHBondContact CB-O 3.45Å
136	L	98.3	Very high	98	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123.4	164.8	-165.7	74.3	0	0	0	108.9	L141 T158 I160 L198 A201	L136-L141 HydrophobicContact CB-CD2 4.48Å; L136-L141 HydrophobicContact CD1-CD2 3.98Å; L136-T158 PolarHBondContact N-O 2.74Å; L136-T158 PolarHBondContact O-N 3.34Å; L136-I160 HydrophobicContact CB-CD1 4.13Å; L136-I160 HydrophobicContact CB-CG1 4.21Å; L136-L198 HydrophobicContact CD1-CD1 4.03Å; L136-L198 HydrophobicContact CD2-CD1 4.36Å; L136-A201 HydrophobicContact CD2-CB 3.55Å
137	N	97.2	Very high	98	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.214	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115	176.8	-179.2	16.7	0	0	0	108.5	G139 K140 E142 K157	N137-G139 PolarHBondContact O-N 3.14Å; N137-K140 PolarHBondContact N-O 3.34Å; N137-K140 PolarHBondContact O-N 3.06Å; N137-E142 HydrophobicContact CB-CG 4.15Å; N137-E142 PolarHBondContact ND2-OE2 3.22Å; N137-K157 HydrophobicContact CB-CD 4.33Å; N137-K157 HydrophobicContact CB-CG 4.18Å
138	N	94.6	Very high	98.1	Very high	161 Å²	161	37.3 Å²	37.3	86%	0.861	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	44	-177.5	-61.1	-48.6	0	0	0	113.4	K140	N138-K140 VanDerWaalsContact C-N 3.27Å; N138-K140 PolarHBondContact O-N 3.47Å
139	G	94.5	Very high	98.1	Very high	66 Å²	66	35.7 Å²	35.7	68%	0.68	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	3.8	178.9	0	0	0	0	0	115.5	N137	N137-G139 PolarHBondContact O-N 3.14Å
140	K	95.9	Very high	98.1	Very high	138 Å²	138	35.4 Å²	35.4	60%	0.6	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.5	176.5	-171.5	177.8	176.6	-176	0	111.2	N137 N138	N137-K140 PolarHBondContact N-O 3.34Å; N137-K140 PolarHBondContact O-N 3.06Å; N138-K140 VanDerWaalsContact C-N 3.27Å; N138-K140 PolarHBondContact O-N 3.47Å
141	L	98.6	Very high	98.1	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	137.5	170.7	-66.4	-178.7	0	0	0	111.1	I101 A104 I105 A108 F109 L134 V135 L136 I160	I101-L141 HydrophobicContact CD1-CD1 3.9Å; A104-L141 HydrophobicContact CB-CD1 3.63Å; A104-L141 HydrophobicContact CB-CG 4.24Å; I105-L141 HydrophobicContact CG1-CD1 4.01Å; A108-L141 HydrophobicContact CB-CB 3.86Å; F109-L141 HydrophobicContact CE2-CB 3.89Å; F109-L141 HydrophobicContact CE2-CD1 4.47Å; F109-L141 HydrophobicContact CZ-CB 4.25Å; L134-L141 HydrophobicContact CD1-CB 4.08Å; L134-L141 HydrophobicContact CD1-CD1 4.34Å; L134-L141 HydrophobicContact CD1-CD2 4.4Å; L134-L141 HydrophobicContact CD2-CD1 4.38Å; L134-L141 HydrophobicContact CG-CD2 4.32Å; V135-L141 VanDerWaalsContact O-CA 3.32Å; V135-L141 WeakPolarHBondContact O-CA 3.26Å; L136-L141 HydrophobicContact CB-CD2 4.48Å; L136-L141 HydrophobicContact CD1-CD2 3.98Å; L141-I160 HydrophobicContact CD2-CG1 3.96Å
142	E	98.3	Very high	98.1	Very high	57 Å²	57	35.5 Å²	35.5	27%	0.266	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155.7	171.3	66.2	178.2	-143.2	0	0	110.4	V135 N137 K157	V135-E142 HydrophobicContact CG2-CG 3.38Å; V135-E142 PolarHBondContact N-O 3.34Å; V135-E142 PolarHBondContact O-N 3.5Å; N137-E142 HydrophobicContact CB-CG 4.15Å; N137-E142 PolarHBondContact ND2-OE2 3.22Å; E142-K157 WeakPolarHBondContact OE1-CD 3.22Å; E142-K157 VanDerWaalsContact OE1-CE 3.24Å; E142-K157 WeakPolarHBondContact OE1-CE 3.08Å; E142-K157 IonicContact OE1-NZ 2.66Å; E142-K157 PolarHBondContact OE1-NZ 2.97Å
143	I	98.9	Very high	98	Very high	33 Å²	33	36.2 Å²	36.2	17%	0.169	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.7	173.4	-69.9	162.7	0	0	0	108.8	F109 M115 E118 F119 A122 W133 L134	F109-I143 HydrophobicContact CD1-CD1 4.21Å; F109-I143 HydrophobicContact CE1-CD1 3.59Å; F109-I143 HydrophobicContact CE1-CG1 3.86Å; F109-I143 HydrophobicContact CZ-CD1 3.91Å; F109-I143 HydrophobicContact CZ-CG1 3.82Å; M115-I143 HydrophobicContact CG-CD1 4.04Å; M115-I143 WeakPolarHBondContact O-CD1 3.4Å; M115-I143 HydrophobicContact SD-CD1 4.19Å; E118-I143 HydrophobicContact CB-CD1 3.41Å; E118-I143 VanDerWaalsContact CB-CD1 3.41Å; F119-I143 HydrophobicContact CB-CD1 4.05Å; F119-I143 HydrophobicContact CD2-CG1 4.48Å; A122-I143 HydrophobicContact CB-CG2 3.56Å; W133-I143 WeakPolarHBondContact O-CA 3.38Å; L134-I143 HydrophobicContact CD1-CG1 4.18Å
144	T	98.6	Very high	98	Very high	37 Å²	37	38.1 Å²	38.1	23%	0.227	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	176	176	-171	0	0	0	0	110.8	W133 V135	W133-T144 HydrophobicContact CB-CG2 3.98Å; W133-T144 HydrophobicContact CG-CG2 4.48Å; W133-T144 PolarHBondContact N-O 2.95Å; W133-T144 PolarHBondContact O-N 3.06Å; V135-T144 HydrophobicContact CG1-CG2 4.05Å; V135-T144 HydrophobicContact CG2-CG2 4.16Å
145	S	98.7	Very high	97.8	Very high	29 Å²	29	43 Å²	43	20%	0.203	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149	168.4	61.5	0	0	0	0	110.5	R126 W131	R126-S145 PolarHBondContact NE-OG 2.87Å; R126-S145 PolarHBondContact NH2-O 3.45Å; R126-S145 PolarHBondContact NH2-OG 3.47Å; W131-S145 CarbonylContact O-C 3.58Å; W131-S145 WeakPolarHBondContact O-CA 3.19Å; W131-S145 WeakPolarHBondContact O-CB 3.18Å
146	T	98.8	Very high	97.7	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	152.1	177.4	60.7	0	0	0	0	110.4	R126 G130 W131 W133 D150 P152	R126-T146 PolarHBondContact NE-O 3.03Å; G130-T146 WeakPolarHBondContact CA-O 3.42Å; W131-T146 PolarHBondContact N-O 3.16Å; W131-T146 PolarHBondContact O-N 3.25Å; W133-T146 PolarHBondContact NE1-OG1 3.24Å; T146-D150 WeakPolarHBondContact CB-O 3.43Å; T146-D150 HydrophobicContact CG2-CB 4.49Å; T146-D150 PolarHBondContact OG1-O 3.04Å; T146-P152 HydrophobicContact CG2-CG 4.42Å
147	A	98.6	Very high	97.7	Very high	32 Å²	32	47.3 Å²	47.3	26%	0.264	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	147.2	176.8	0	0	0	0	0	110.3	Q149 D150	A147-Q149 PolarHBondContact O-N 3.13Å; A147-D150 VanDerWaalsContact O-CB 3.26Å; A147-D150 WeakPolarHBondContact O-CB 3.39Å; A147-D150 PolarHBondContact O-N 3.24Å
148	N	98.7	Very high	97.7	Very high	82 Å²	82	47.5 Å²	47.5	44%	0.439	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-120.6	176.7	-54.9	-46	0	0	0	112.2	S129 W131 W166	S129-N148 PolarHBondContact O-N 3.27Å; W131-N148 PolarHBondContact NE1-O 3.18Å; N148-W166 VanDerWaalsContact CA-CZ2 3.46Å; N148-W166 HydrophobicContact CB-CZ2 3.92Å; N148-W166 PolarHBondContact O-NE1 3.34Å
149	Q	98.8	Very high	97.9	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.023	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	16.9	176.6	-63.6	-57.7	-10.4	0	0	113	Y35 N74 G77 N81 A147 W166	Y35-Q149 HydrophobicContact CE1-CG 4.09Å; Y35-Q149 HydrophobicContact CE2-CG 4.5Å; Y35-Q149 PolarHBondContact OH-NE2 3.46Å; N74-Q149 WeakPolarHBondContact O-CB 3.45Å; G77-Q149 CarbonylContact C-O 3.54Å; G77-Q149 VanDerWaalsContact CA-O 3.27Å; G77-Q149 WeakPolarHBondContact CA-O 3.49Å; N81-Q149 PolarHBondContact ND2-O 2.93Å; N81-Q149 VanDerWaalsContact ND2-O 3.17Å; N81-Q149 PolarHBondContact ND2-OE1 3.48Å; A147-Q149 PolarHBondContact O-N 3.13Å; Q149-W166 HydrophobicContact CG-CZ2 4.08Å
150	D	98.7	Very high	98.1	Very high	30 Å²	30	37.2 Å²	37.2	16%	0.16	22%	0.217	C	C	.	.			trans	-58.8	145.9	170.4	-67.5	-13.7	0	0	0	109.9	R73 N81 T146 A147	R73-D150 IonicContact CZ-OD1 3.72Å; R73-D150 VanDerWaalsContact CZ-OD1 3.26Å; R73-D150 IonicContact CZ-OD2 2.67Å; R73-D150 IonicContact NE-OD1 3.94Å; R73-D150 PolarHBondContact NE-OD1 3.01Å; R73-D150 IonicContact NE-OD2 3.01Å; R73-D150 IonicContact NH2-OD1 2.71Å; R73-D150 PolarHBondContact NH2-OD1 3Å; R73-D150 IonicContact NH2-OD2 3.26Å; R73-D150 PolarHBondContact NH2-OD2 3.43Å; N81-D150 PolarHBondContact ND2-O 3.08Å; T146-D150 WeakPolarHBondContact CB-O 3.43Å; T146-D150 HydrophobicContact CG2-CB 4.49Å; T146-D150 PolarHBondContact OG1-O 3.04Å; A147-D150 VanDerWaalsContact O-CB 3.26Å; A147-D150 WeakPolarHBondContact O-CB 3.39Å; A147-D150 PolarHBondContact O-N 3.24Å
151	S	98.5	Very high	98.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.014	19%	0.189	C	C	.	.			trans	-126.8	141.8	-171.4	-172	0	0	0	0	110.4	N81 L153 T154	N81-S151 VanDerWaalsContact OD1-CB 3.31Å; N81-S151 WeakPolarHBondContact OD1-CB 3.18Å; N81-S151 PolarHBondContact OD1-OG 3.3Å; N81-S151 VanDerWaalsContact OD1-OG 3.05Å; S151-L153 PolarHBondContact O-N 2.86Å; S151-T154 PolarHBondContact O-N 3.26Å; S151-T154 PolarHBondContact O-OG1 2.79Å
152	P	98.5	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56.1	-22.4	172.9	-23.5	33.1	0	0	0	113.7	W133 V135 T146 T154 D155 G156 K157 P159	W133-P152 HydrophobicContact CB-CG 4.12Å; W133-P152 HydrophobicContact CD2-CG 3.67Å; W133-P152 HydrophobicContact CE3-CG 4.25Å; W133-P152 HydrophobicContact CG-CG 3.58Å; V135-P152 HydrophobicContact CG1-CB 3.75Å; V135-P152 HydrophobicContact CG1-CG 3.7Å; T146-P152 HydrophobicContact CG2-CG 4.42Å; P152-T154 VanDerWaalsContact C-N 3.26Å; P152-T154 PolarHBondContact O-N 2.73Å; P152-D155 PolarHBondContact O-N 2.92Å; P152-G156 PolarHBondContact O-N 2.91Å; P152-K157 CarbonylContact C-O 3.5Å; P152-K157 HydrophobicContact CB-CB 3.98Å; P152-K157 PolarHBondContact O-N 3.37Å; P152-P159 HydrophobicContact CB-CG 4.18Å; P152-P159 HydrophobicContact CG-CG 4.19Å
153	L	98.2	Very high	98.3	Very high	15 Å²	15	27.7 Å²	27.7	8%	0.079	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.7	-38.2	175.2	-65	173.5	0	0	0	112.5	E55 M58 K59 A80 S151 D155 G156 P159	E55-L153 HydrophobicContact CB-CD1 4.31Å; E55-L153 HydrophobicContact CG-CD1 4.3Å; M58-L153 HydrophobicContact CB-CB 4.14Å; M58-L153 HydrophobicContact CB-CD1 4.11Å; K59-L153 HydrophobicContact CG-CB 4.23Å; K59-L153 HydrophobicContact CG-CD2 4.32Å; A80-L153 HydrophobicContact CB-CD1 4.34Å; S151-L153 PolarHBondContact O-N 2.86Å; L153-D155 PolarHBondContact O-N 2.95Å; L153-G156 PolarHBondContact O-N 2.98Å; L153-P159 HydrophobicContact CD2-CG 4.27Å; L153-P159 HydrophobicContact CG-CG 4.21Å
154	T	97.2	Very high	98.3	Very high	41 Å²	41	26.1 Å²	26.1	25%	0.252	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-70.4	-19.4	179.1	59.9	0	0	0	0	112.5	M58 L61 S151 P152	M58-T154 HydrophobicContact CE-CG2 3.81Å; M58-T154 VanDerWaalsContact O-CG2 3.29Å; M58-T154 WeakPolarHBondContact O-CG2 3.47Å; L61-T154 HydrophobicContact CB-CG2 4.12Å; L61-T154 HydrophobicContact CD2-CG2 3.63Å; S151-T154 PolarHBondContact O-N 3.26Å; S151-T154 PolarHBondContact O-OG1 2.79Å; P152-T154 VanDerWaalsContact C-N 3.26Å; P152-T154 PolarHBondContact O-N 2.73Å
155	D	96	Very high	98.3	Very high	103 Å²	103	24.3 Å²	24.3	55%	0.551	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-95.9	7.3	178.7	-60.7	-21.9	0	0	0	112.2	P152 L153 K157	P152-D155 PolarHBondContact O-N 2.92Å; L153-D155 PolarHBondContact O-N 2.95Å; D155-K157 VanDerWaalsContact C-N 3.28Å; D155-K157 HydrophobicContact CB-CD 4.46Å; D155-K157 HydrophobicContact CB-CG 4.37Å; D155-K157 PolarHBondContact O-N 3.24Å
156	G	96.3	Very high	98.3	Very high	69 Å²	69	25.5 Å²	25.5	71%	0.711	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	19.1	-177	0	0	0	0	0	114.2	P152 L153	P152-G156 PolarHBondContact O-N 2.91Å; L153-G156 PolarHBondContact O-N 2.98Å
157	K	97.9	Very high	98.3	Very high	38 Å²	38	30.1 Å²	30.1	17%	0.165	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-104	151	177.9	-57.3	178.7	-173.1	-179.7	0	110.3	V135 N137 E142 P152 D155	V135-K157 HydrophobicContact CB-CB 4.25Å; V135-K157 HydrophobicContact CG2-CB 4.23Å; V135-K157 HydrophobicContact CG2-CD 3.94Å; N137-K157 HydrophobicContact CB-CD 4.33Å; N137-K157 HydrophobicContact CB-CG 4.18Å; E142-K157 WeakPolarHBondContact OE1-CD 3.22Å; E142-K157 VanDerWaalsContact OE1-CE 3.24Å; E142-K157 WeakPolarHBondContact OE1-CE 3.08Å; E142-K157 IonicContact OE1-NZ 2.66Å; E142-K157 PolarHBondContact OE1-NZ 2.97Å; P152-K157 CarbonylContact C-O 3.5Å; P152-K157 HydrophobicContact CB-CB 3.98Å; P152-K157 PolarHBondContact O-N 3.37Å; D155-K157 VanDerWaalsContact C-N 3.28Å; D155-K157 HydrophobicContact CB-CD 4.46Å; D155-K157 HydrophobicContact CB-CG 4.37Å; D155-K157 PolarHBondContact O-N 3.24Å
158	T	98.3	Very high	98.3	Very high	44 Å²	44	30.5 Å²	30.5	27%	0.27	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.8	179.2	-55.9	0	0	0	0	110.6	V135 L136 A201	V135-T158 CarbonylContact C-O 3.5Å; V135-T158 VanDerWaalsContact CA-O 3.25Å; V135-T158 WeakPolarHBondContact CA-O 3.31Å; V135-T158 WeakPolarHBondContact CB-O 3.45Å; L136-T158 PolarHBondContact N-O 2.74Å; L136-T158 PolarHBondContact O-N 3.34Å; T158-A201 HydrophobicContact CG2-CB 3.66Å
159	P	98.7	Very high	98.3	Very high	11 Å²	11	26.6 Å²	26.6	7%	0.071	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.9	172.6	-20.5	32.4	0	0	0	111.9	F84 W133 P152 L153	F84-P159 HydrophobicContact CD2-CB 4.34Å; F84-P159 HydrophobicContact CE1-CB 4.14Å; F84-P159 HydrophobicContact CE2-CB 3.8Å; F84-P159 HydrophobicContact CZ-CB 3.68Å; W133-P159 HydrophobicContact CE3-CB 4.09Å; W133-P159 HydrophobicContact CZ3-CB 4.22Å; P152-P159 HydrophobicContact CB-CG 4.18Å; P152-P159 HydrophobicContact CG-CG 4.19Å; L153-P159 HydrophobicContact CD2-CG 4.27Å; L153-P159 HydrophobicContact CG-CG 4.21Å
160	I	98.7	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-48.3	176.4	-56.4	-59.1	0	0	0	110.6	F84 I101 L134 L136 L141 A194 N197 L198 A201	F84-I160 WeakPolarHBondContact CZ-O 3.35Å; I101-I160 HydrophobicContact CD1-CG2 3.69Å; L134-I160 HydrophobicContact CD2-CB 4.49Å; L134-I160 HydrophobicContact CD2-CG2 4.33Å; L134-I160 HydrophobicContact CG-CB 4.38Å; L134-I160 WeakPolarHBondContact O-CB 3.4Å; L134-I160 PolarHBondContact O-N 3.22Å; L136-I160 HydrophobicContact CB-CD1 4.13Å; L136-I160 HydrophobicContact CB-CG1 4.21Å; L141-I160 HydrophobicContact CD2-CG1 3.96Å; I160-A194 HydrophobicContact CG2-CB 4.33Å; I160-N197 HydrophobicContact CD1-CB 4.18Å; I160-N197 PolarHBondContact O-ND2 3.38Å; I160-L198 HydrophobicContact CD1-CB 4.32Å; I160-L198 HydrophobicContact CD1-CD1 4.39Å; I160-A201 HydrophobicContact CD1-CB 4.49Å
161	I	98.7	Very high	98.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.6	168.1	-64.8	175.9	0	0	0	107.8	I88 W133 L134 F185 V189 W191 A194	I88-I161 HydrophobicContact CD1-CG2 4.43Å; W133-I161 WeakPolarHBondContact CA-O 3.2Å; L134-I161 HydrophobicContact CB-CB 4.25Å; L134-I161 PolarHBondContact N-O 2.86Å; L134-I161 PolarHBondContact O-N 3.46Å; I161-F185 HydrophobicContact CG2-CE1 3.91Å; I161-F185 HydrophobicContact CG2-CZ 3.74Å; I161-V189 HydrophobicContact CD1-CG1 3.67Å; I161-W191 HydrophobicContact CD1-CE3 3.85Å; I161-W191 HydrophobicContact CD1-CH2 3.72Å; I161-W191 HydrophobicContact CD1-CZ3 3.24Å; I161-A194 HydrophobicContact CD1-CB 3.88Å; I161-A194 HydrophobicContact CG1-CB 3.86Å
162	G	98.8	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	148.3	178.5	0	0	0	0	0	111	F85 I88 A132 F185	F85-G162 WeakPolarHBondContact CD2-O 3.47Å; I88-G162 VanDerWaalsContact CD1-O 3.26Å; I88-G162 WeakPolarHBondContact CD1-O 3.32Å; A132-G162 CarbonylContact O-C 3.48Å; A132-G162 VanDerWaalsContact O-CA 3.26Å; A132-G162 WeakPolarHBondContact O-CA 3.22Å; G162-F185 WeakPolarHBondContact O-CZ 3.37Å
163	L	98.9	Very high	98.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.9	176.3	-180	59.4	0	0	0	109.8	F85 F119 A123 W131 A132 V165 Y181 I182 F185	F85-L163 HydrophobicContact CE2-CD1 4.11Å; F85-L163 HydrophobicContact CZ-CD1 4.31Å; F119-L163 HydrophobicContact CE1-CB 3.76Å; F119-L163 HydrophobicContact CE1-CD2 3.99Å; F119-L163 HydrophobicContact CZ-CB 3.76Å; A123-L163 HydrophobicContact CB-CD2 4.37Å; W131-L163 VanDerWaalsContact CA-O 3.28Å; W131-L163 WeakPolarHBondContact CA-O 3.46Å; W131-L163 VanDerWaalsContact CE3-C 3.47Å; A132-L163 PolarHBondContact N-O 3.44Å; A132-L163 PolarHBondContact O-N 3.04Å; L163-V165 HydrophobicContact CD2-CG1 4.26Å; L163-V165 HydrophobicContact CG-CG1 4.12Å; L163-V165 PolarHBondContact O-N 3.28Å; L163-Y181 HydrophobicContact CD1-CE1 3.59Å; L163-Y181 VanDerWaalsContact CD1-OH 3.27Å; L163-Y181 WeakPolarHBondContact CD1-OH 3.46Å; L163-Y181 HydrophobicContact CD2-CE1 4.26Å; L163-Y181 HydrophobicContact CG-CE1 4.04Å; L163-I182 HydrophobicContact CD2-CB 4.21Å; L163-I182 HydrophobicContact CD2-CG1 3.77Å; L163-I182 HydrophobicContact CD2-CG2 4.2Å; L163-F185 HydrophobicContact CB-CD1 4.3Å; L163-F185 HydrophobicContact CB-CE1 4.11Å; L163-F185 HydrophobicContact CB-CZ 4.39Å; L163-F185 HydrophobicContact CD1-CB 3.94Å; L163-F185 HydrophobicContact CD1-CD1 3.94Å; L163-F185 HydrophobicContact CD1-CD2 3.63Å; L163-F185 HydrophobicContact CD1-CE1 4.32Å; L163-F185 HydrophobicContact CD1-CE2 4.04Å; L163-F185 HydrophobicContact CD1-CG 3.55Å; L163-F185 HydrophobicContact CD1-CZ 4.36Å; L163-F185 HydrophobicContact CD2-CB 4.33Å; L163-F185 HydrophobicContact CD2-CD1 4.04Å; L163-F185 HydrophobicContact CD2-CG 4.26Å; L163-F185 HydrophobicContact CG-CD1 4.33Å; L163-F185 HydrophobicContact CG-CG 4.39Å
164	D	98.9	Very high	98.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.7	170.9	-167.7	-13.8	0	0	0	109.3	H27 H82 F85 W131 W166 H168 A169 Y181	H27-D164 IonicContact CE1-OD2 3.71Å; H27-D164 PolarHBondContact CE1-OD2 2.85Å; H27-D164 IonicContact NE2-OD2 3.84Å; H27-D164 PolarHBondContact NE2-OD2 2.87Å; H82-D164 IonicContact NE2-OD2 3.88Å; F85-D164 HydrophobicContact CE1-CB 4.24Å; F85-D164 HydrophobicContact CZ-CB 4.25Å; W131-D164 HydrophobicContact CD2-CB 4.24Å; W131-D164 VanDerWaalsContact CE3-CA 3.45Å; W131-D164 HydrophobicContact CE3-CB 3.9Å; W131-D164 VanDerWaalsContact CE3-N 3.32Å; W131-D164 HydrophobicContact CH2-CB 3.51Å; W131-D164 HydrophobicContact CZ2-CB 3.89Å; W131-D164 HydrophobicContact CZ3-CB 3.52Å; D164-W166 WeakPolarHBondContact OD1-CB 3.26Å; D164-W166 PolarHBondContact OD1-N 3.03Å; D164-H168 IonicContact OD2-CD2 2.95Å; D164-H168 IonicContact OD2-CE1 2.71Å; D164-H168 IonicContact OD2-NE2 3.15Å; D164-H168 PolarHBondContact OD2-NE2 2.92Å; D164-A169 HydrophobicContact CB-CB 3.93Å; D164-Y181 WeakPolarHBondContact O-CE1 3.23Å; D164-Y181 PolarHBondContact O-OH 2.8Å
165	V	98.8	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.			trans	-114.4	18.1	174.4	-60.9	0	0	0	0	112.7	A123 R126 G130 L163 R178	A123-V165 HydrophobicContact CB-CG1 4.07Å; R126-V165 HydrophobicContact CB-CG2 4.08Å; R126-V165 HydrophobicContact CG-CG2 3.84Å; G130-V165 VanDerWaalsContact C-CG2 3.49Å; G130-V165 CarbonylContact O-C 3.4Å; G130-V165 WeakPolarHBondContact O-CG2 3.46Å; G130-V165 PolarHBondContact O-N 2.72Å; L163-V165 HydrophobicContact CD2-CG1 4.26Å; L163-V165 HydrophobicContact CG-CG1 4.12Å; L163-V165 PolarHBondContact O-N 3.28Å; V165-R178 PolarHBondContact O-NH2 3.24Å
166	W	98.8	Very high	98.4	Very high	53 Å²	53	42 Å²	42	20%	0.201	21%	0.214	C	C	.	.	S	Bend	trans	-61.2	142.9	159.1	-72.8	69.6	0	0	0	110.1	S129 G130 W131 N148 Q149 D164 H168 A169 Y170	S129-W166 VanDerWaalsContact CB-CD2 3.42Å; S129-W166 VanDerWaalsContact CB-CE2 3.42Å; S129-W166 WeakPolarHBondContact OG-CZ3 3.41Å; G130-W166 PolarHBondContact O-N 2.98Å; W131-W166 AromaticContact NE1-NE1 3.86Å; N148-W166 VanDerWaalsContact CA-CZ2 3.46Å; N148-W166 HydrophobicContact CB-CZ2 3.92Å; N148-W166 PolarHBondContact O-NE1 3.34Å; Q149-W166 HydrophobicContact CG-CZ2 4.08Å; D164-W166 WeakPolarHBondContact OD1-CB 3.26Å; D164-W166 PolarHBondContact OD1-N 3.03Å; W166-H168 WeakPolarHBondContact CB-CE1 3.41Å; W166-H168 AromaticContact CD2-CE1 3.76Å; W166-H168 AromaticContact CE3-CE1 3.89Å; W166-H168 AromaticContact CE3-ND1 3.91Å; W166-H168 AromaticContact CG-CE1 3.53Å; W166-H168 PolarHBondContact O-N 3.11Å; W166-A169 WeakPolarHBondContact O-CB 3.28Å; W166-A169 PolarHBondContact O-N 3.12Å; W166-Y170 WeakPolarHBondContact O-CD1 3.46Å; W166-Y170 WeakPolarHBondContact O-CE1 3.4Å
167	E	98.6	Very high	98.5	Very high	107 Å²	107	41.4 Å²	41.4	50%	0.5	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.2	-32.1	-177.2	-72.7	-179.7	136.6	0	0	112.4	A169 Y170 Y171	E167-A169 PolarHBondContact O-N 3.12Å; E167-Y170 HydrophobicContact CG-CE1 4.46Å; E167-Y170 HydrophobicContact CG-CE2 4.45Å; E167-Y170 WeakPolarHBondContact CG-OH 3.49Å; E167-Y170 PolarHBondContact O-N 3.24Å; E167-Y170 VanDerWaalsContact O-N 3.08Å; E167-Y171 HydrophobicContact CB-CD2 4.14Å; E167-Y171 HydrophobicContact CG-CD2 4.29Å; E167-Y171 WeakPolarHBondContact O-CB 3.39Å; E167-Y171 PolarHBondContact O-N 3.14Å
168	H	98.6	Very high	98.5	Very high	39 Å²	39	41 Å²	41	18%	0.181	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-57.9	-22.9	176.4	65.1	-117	0	0	0	113.7	H27 H31 H82 D164 W166 Y170	H27-H168 AromaticContact CD2-CD2 3.52Å; H27-H168 AromaticContact CD2-NE2 3.58Å; H27-H168 AromaticContact CE1-CD2 3.93Å; H27-H168 AromaticContact CE1-NE2 3.98Å; H27-H168 AromaticContact CG-CD2 3.99Å; H27-H168 AromaticContact NE2-CD2 3.48Å; H27-H168 PolarHBondContact NE2-CD2 3.03Å; H27-H168 AromaticContact NE2-NE2 3.24Å; H27-H168 PolarHBondContact NE2-NE2 3.34Å; H31-H168 AromaticContact CE1-CG 3.66Å; H31-H168 AromaticContact CE1-ND1 3.65Å; H31-H168 AromaticContact ND1-CG 3.81Å; H31-H168 AromaticContact ND1-ND1 3.56Å; H31-H168 AromaticContact NE2-CG 3.88Å; H82-H168 AromaticContact NE2-NE2 3.97Å; D164-H168 IonicContact OD2-CD2 2.95Å; D164-H168 IonicContact OD2-CE1 2.71Å; D164-H168 IonicContact OD2-NE2 3.15Å; D164-H168 PolarHBondContact OD2-NE2 2.92Å; W166-H168 WeakPolarHBondContact CB-CE1 3.41Å; W166-H168 AromaticContact CD2-CE1 3.76Å; W166-H168 AromaticContact CE3-CE1 3.89Å; W166-H168 AromaticContact CE3-ND1 3.91Å; W166-H168 AromaticContact CG-CE1 3.53Å; W166-H168 PolarHBondContact O-N 3.11Å; H168-Y170 VanDerWaalsContact C-N 3.32Å
169	A	98.8	Very high	98.5	Very high	1 Å²	1	41 Å²	41	1%	0.008	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-78.3	-15.4	-178.3	0	0	0	0	0	113.3	D164 W166 E167	D164-A169 HydrophobicContact CB-CB 3.93Å; W166-A169 WeakPolarHBondContact O-CB 3.28Å; W166-A169 PolarHBondContact O-N 3.12Å; E167-A169 PolarHBondContact O-N 3.12Å
170	Y	98.7	Very high	98.5	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.02	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.2	-14.2	-172.2	65.3	-99.8	0	0	0	115.8	W166 E167 H168 L172 K173 Y174 K175 R178 Y181	W166-Y170 WeakPolarHBondContact O-CD1 3.46Å; W166-Y170 WeakPolarHBondContact O-CE1 3.4Å; E167-Y170 HydrophobicContact CG-CE1 4.46Å; E167-Y170 HydrophobicContact CG-CE2 4.45Å; E167-Y170 WeakPolarHBondContact CG-OH 3.49Å; E167-Y170 PolarHBondContact O-N 3.24Å; E167-Y170 VanDerWaalsContact O-N 3.08Å; H168-Y170 VanDerWaalsContact C-N 3.32Å; Y170-L172 VanDerWaalsContact C-N 3.31Å; Y170-L172 PolarHBondContact O-N 3.17Å; Y170-K173 PolarHBondContact O-N 3.28Å; Y170-Y174 WeakPolarHBondContact O-CB 3.33Å; Y170-Y174 PolarHBondContact O-N 3.38Å; Y170-K175 WeakPolarHBondContact CD2-O 3.4Å; Y170-K175 WeakPolarHBondContact CE2-O 3.47Å; Y170-R178 HydrophobicContact CE1-CB 4.48Å; Y170-R178 HydrophobicContact CE1-CG 3.99Å; Y170-R178 HydrophobicContact CE2-CB 4.15Å; Y170-R178 PolarHBondContact OH-NE 2.69Å; Y170-R178 PolarHBondContact OH-NH2 3.44Å; Y170-Y181 VanDerWaalsContact CB-CG 3.43Å; Y170-Y181 AromaticContact CD1-CD1 3.82Å; Y170-Y181 HydrophobicContact CD1-CD1 3.82Å; Y170-Y181 HydrophobicContact CD1-CE1 4.1Å; Y170-Y181 HydrophobicContact CD1-CG 4.39Å; Y170-Y181 HydrophobicContact CG-CD1 4Å; Y170-Y181 HydrophobicContact CG-CG 4.1Å
171	Y	98.6	Very high	98.5	Very high	106 Å²	106	44.8 Å²	44.8	42%	0.416	22%	0.215	S	C	.	.	H	α-helix	trans	-68	-28	-166.1	-151.3	-97.4	0	0	0	114	E167 K175	E167-Y171 HydrophobicContact CB-CD2 4.14Å; E167-Y171 HydrophobicContact CG-CD2 4.29Å; E167-Y171 WeakPolarHBondContact O-CB 3.39Å; E167-Y171 PolarHBondContact O-N 3.14Å; Y171-K175 HydrophobicContact CD1-CD 4.4Å; Y171-K175 VanDerWaalsContact CD2-O 3.26Å; Y171-K175 WeakPolarHBondContact CD2-O 3.4Å; Y171-K175 HydrophobicContact CE1-CD 4.32Å; Y171-K175 WeakPolarHBondContact O-CA 3.07Å; Y171-K175 WeakPolarHBondContact O-CD 3.31Å; Y171-K175 PolarHBondContact O-N 3.11Å; Y171-K175 PolarHBondContact O-NZ 2.86Å
172	L	98.5	Very high	98.5	Very high	70 Å²	70	44.8 Å²	44.8	37%	0.366	22%	0.215	S	C	.	.	H	α-helix	trans	-64.8	-42.2	178.1	-66.1	-172.7	0	0	0	111.7	E22 L26 Y170 K175	E22-L172 HydrophobicContact CB-CD1 4.19Å; E22-L172 HydrophobicContact CG-CD1 3.76Å; L26-L172 HydrophobicContact CD1-CD1 3.62Å; Y170-L172 VanDerWaalsContact C-N 3.31Å; Y170-L172 PolarHBondContact O-N 3.17Å; L172-K175 PolarHBondContact O-NZ 2.91Å
173	K	98.6	Very high	98.5	Very high	79 Å²	79	47.2 Å²	47.2	34%	0.343	23%	0.234	S	C	.	.	H	α-helix	trans	-93.7	-45.4	179.2	-178.8	176.6	-176.2	92.3	0	114.6	E16 P17 D20 Y170	E16-K173 IonicContact OE2-NZ 3.54Å; P17-K173 WeakPolarHBondContact O-CE 3.36Å; P17-K173 PolarHBondContact O-NZ 3.02Å; D20-K173 HydrophobicContact CB-CB 4.49Å; D20-K173 HydrophobicContact CB-CD 4.29Å; D20-K173 WeakPolarHBondContact OD1-CB 3.45Å; Y170-K173 PolarHBondContact O-N 3.28Å
174	Y	98.6	Very high	98.4	Very high	35 Å²	35	47.7 Å²	47.7	14%	0.137	24%	0.239	C	C	.	.	H	α-helix	trans	-101.3	-9.1	-170.8	-62.4	-82	0	0	0	114.4	Y18 Y170 N176 V177 D180 Y181 A184	Y18-Y174 WeakPolarHBondContact O-CE2 3.42Å; Y18-Y174 PolarHBondContact O-OH 2.97Å; Y170-Y174 WeakPolarHBondContact O-CB 3.33Å; Y170-Y174 PolarHBondContact O-N 3.38Å; Y174-N176 PolarHBondContact O-N 3.11Å; Y174-V177 WeakPolarHBondContact O-CB 3.4Å; Y174-V177 WeakPolarHBondContact O-CG2 3.29Å; Y174-V177 PolarHBondContact O-N 3.41Å; Y174-D180 HydrophobicContact CD1-CB 3.74Å; Y174-D180 HydrophobicContact CE1-CB 4.05Å; Y174-Y181 AromaticContact CD2-CD2 3.92Å; Y174-Y181 HydrophobicContact CD2-CD2 3.92Å; Y174-Y181 HydrophobicContact CD2-CG 4.19Å; Y174-Y181 AromaticContact CE2-CD2 3.81Å; Y174-Y181 HydrophobicContact CE2-CD2 3.81Å; Y174-Y181 HydrophobicContact CE2-CG 4.41Å; Y174-A184 HydrophobicContact CE1-CB 4.43Å; Y174-A184 WeakPolarHBondContact OH-CB 3.35Å
175	K	98.3	Very high	98.4	Very high	97 Å²	97	47.8 Å²	47.8	42%	0.422	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-126	179.9	-58.1	-75.5	173.8	-93.6	0	110.4	Y170 Y171 L172 V177	Y170-K175 WeakPolarHBondContact CD2-O 3.4Å; Y170-K175 WeakPolarHBondContact CE2-O 3.47Å; Y171-K175 HydrophobicContact CD1-CD 4.4Å; Y171-K175 VanDerWaalsContact CD2-O 3.26Å; Y171-K175 WeakPolarHBondContact CD2-O 3.4Å; Y171-K175 HydrophobicContact CE1-CD 4.32Å; Y171-K175 WeakPolarHBondContact O-CA 3.07Å; Y171-K175 WeakPolarHBondContact O-CD 3.31Å; Y171-K175 PolarHBondContact O-N 3.11Å; Y171-K175 PolarHBondContact O-NZ 2.86Å; L172-K175 PolarHBondContact O-NZ 2.91Å; K175-V177 VanDerWaalsContact C-N 3.28Å; K175-V177 PolarHBondContact O-N 2.93Å
176	N	96.9	Very high	98.4	Very high	127 Å²	127	48.3 Å²	48.3	68%	0.679	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.5	179.3	66.5	-72.8	0	0	0	114.1	Y174 R178	Y174-N176 PolarHBondContact O-N 3.11Å; N176-R178 VanDerWaalsContact C-N 3.29Å; N176-R178 PolarHBondContact O-N 2.66Å; N176-R178 VanDerWaalsContact O-N 3.13Å
177	V	97.5	Very high	98.4	Very high	57 Å²	57	49.1 Å²	49.1	35%	0.345	25%	0.249	S	C	.	.			trans	-92.3	57	-171.1	-148.4	0	0	0	0	111.1	Y174 K175 P179 D180	Y174-V177 WeakPolarHBondContact O-CB 3.4Å; Y174-V177 WeakPolarHBondContact O-CG2 3.29Å; Y174-V177 PolarHBondContact O-N 3.41Å; K175-V177 VanDerWaalsContact C-N 3.28Å; K175-V177 PolarHBondContact O-N 2.93Å; V177-P179 VanDerWaalsContact C-N 3.26Å; V177-P179 VanDerWaalsContact O-N 3.14Å; V177-D180 HydrophobicContact CB-CB 4.44Å; V177-D180 HydrophobicContact CG1-CB 4.24Å; V177-D180 WeakPolarHBondContact CG1-OD2 3.41Å; V177-D180 WeakPolarHBondContact O-CB 3.31Å; V177-D180 PolarHBondContact O-N 3.29Å
178	R	98.2	Very high	98.4	Very high	29 Å²	29	44.1 Å²	44.1	11%	0.109	23%	0.226	C	C	.	.	H	α-helix	trans	-48.5	-38.6	178.5	-170.3	-169.8	-67.8	-177.9	-5.5	113.9	A123 R126 G128 V165 Y170 N176 D180 Y181 I182	A123-R178 PolarHBondContact O-NH1 3.29Å; R126-R178 PolarHBondContact O-NH1 2.83Å; G128-R178 PolarHBondContact O-NH2 3.39Å; V165-R178 PolarHBondContact O-NH2 3.24Å; Y170-R178 HydrophobicContact CE1-CB 4.48Å; Y170-R178 HydrophobicContact CE1-CG 3.99Å; Y170-R178 HydrophobicContact CE2-CB 4.15Å; Y170-R178 PolarHBondContact OH-NE 2.69Å; Y170-R178 PolarHBondContact OH-NH2 3.44Å; N176-R178 VanDerWaalsContact C-N 3.29Å; N176-R178 PolarHBondContact O-N 2.66Å; N176-R178 VanDerWaalsContact O-N 3.13Å; R178-D180 PolarHBondContact O-N 2.97Å; R178-Y181 WeakPolarHBondContact O-CB 3.33Å; R178-Y181 PolarHBondContact O-N 3.39Å; R178-I182 HydrophobicContact CG-CD1 3.88Å; R178-I182 HydrophobicContact CG-CG1 4.27Å; R178-I182 WeakPolarHBondContact O-CG1 3.21Å; R178-I182 PolarHBondContact O-N 3Å
179	P	98.3	Very high	98.4	Very high	45 Å²	45	42.3 Å²	42.3	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-57.3	-30.3	176.3	-28.7	38.2	0	0	0	115	T124 V177 A183	T124-P179 HydrophobicContact CG2-CG 4.45Å; V177-P179 VanDerWaalsContact C-N 3.26Å; V177-P179 VanDerWaalsContact O-N 3.14Å; P179-A183 WeakPolarHBondContact O-CB 3.42Å; P179-A183 PolarHBondContact O-N 3.33Å
180	D	98.5	Very high	98.4	Very high	89 Å²	89	43.8 Å²	43.8	48%	0.476	23%	0.225	S	C	.	.	H	α-helix	trans	-76.1	-38.3	179	-68.7	5	0	0	0	110.8	Y174 V177 R178 A183 A184	Y174-D180 HydrophobicContact CD1-CB 3.74Å; Y174-D180 HydrophobicContact CE1-CB 4.05Å; V177-D180 HydrophobicContact CB-CB 4.44Å; V177-D180 HydrophobicContact CG1-CB 4.24Å; V177-D180 WeakPolarHBondContact CG1-OD2 3.41Å; V177-D180 WeakPolarHBondContact O-CB 3.31Å; V177-D180 PolarHBondContact O-N 3.29Å; R178-D180 PolarHBondContact O-N 2.97Å; D180-A183 WeakPolarHBondContact O-CB 3.48Å; D180-A183 PolarHBondContact O-N 3.49Å; D180-A184 WeakPolarHBondContact O-CB 3.4Å; D180-A184 PolarHBondContact O-N 2.96Å
181	Y	98.8	Very high	98.4	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-46.6	170.5	167.9	-114.6	0	0	0	111.8	I19 L163 D164 Y170 Y174 R178 A183 A184 F185	I19-Y181 HydrophobicContact CD1-CE2 4.39Å; I19-Y181 HydrophobicContact CG1-CE2 4.35Å; L163-Y181 HydrophobicContact CD1-CE1 3.59Å; L163-Y181 VanDerWaalsContact CD1-OH 3.27Å; L163-Y181 WeakPolarHBondContact CD1-OH 3.46Å; L163-Y181 HydrophobicContact CD2-CE1 4.26Å; L163-Y181 HydrophobicContact CG-CE1 4.04Å; D164-Y181 WeakPolarHBondContact O-CE1 3.23Å; D164-Y181 PolarHBondContact O-OH 2.8Å; Y170-Y181 VanDerWaalsContact CB-CG 3.43Å; Y170-Y181 AromaticContact CD1-CD1 3.82Å; Y170-Y181 HydrophobicContact CD1-CD1 3.82Å; Y170-Y181 HydrophobicContact CD1-CE1 4.1Å; Y170-Y181 HydrophobicContact CD1-CG 4.39Å; Y170-Y181 HydrophobicContact CG-CD1 4Å; Y170-Y181 HydrophobicContact CG-CG 4.1Å; Y174-Y181 AromaticContact CD2-CD2 3.92Å; Y174-Y181 HydrophobicContact CD2-CD2 3.92Å; Y174-Y181 HydrophobicContact CD2-CG 4.19Å; Y174-Y181 AromaticContact CE2-CD2 3.81Å; Y174-Y181 HydrophobicContact CE2-CD2 3.81Å; Y174-Y181 HydrophobicContact CE2-CG 4.41Å; R178-Y181 WeakPolarHBondContact O-CB 3.33Å; R178-Y181 PolarHBondContact O-N 3.39Å; Y181-A183 PolarHBondContact O-N 2.78Å; Y181-A184 PolarHBondContact O-N 3.09Å; Y181-F185 PolarHBondContact O-N 3.21Å
182	I	98.7	Very high	98.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-60.4	-36.9	176.5	-64.2	160.4	0	0	0	110.9	K120 A123 T124 L163 R178 W186	K120-I182 HydrophobicContact CB-CG2 4.24Å; K120-I182 HydrophobicContact CG-CG2 4.19Å; A123-I182 HydrophobicContact CB-CD1 3.56Å; A123-I182 HydrophobicContact CB-CG1 3.92Å; A123-I182 HydrophobicContact CB-CG2 4.37Å; T124-I182 WeakPolarHBondContact OG1-CD1 3.48Å; L163-I182 HydrophobicContact CD2-CB 4.21Å; L163-I182 HydrophobicContact CD2-CG1 3.77Å; L163-I182 HydrophobicContact CD2-CG2 4.2Å; R178-I182 HydrophobicContact CG-CD1 3.88Å; R178-I182 HydrophobicContact CG-CG1 4.27Å; R178-I182 WeakPolarHBondContact O-CG1 3.21Å; R178-I182 PolarHBondContact O-N 3Å; I182-W186 PolarHBondContact O-NE1 3.16Å
183	A	98.4	Very high	98.4	Very high	50 Å²	50	42.4 Å²	42.4	41%	0.413	22%	0.224	S	C	.	.	H	α-helix	trans	-66.3	-46.2	176.3	0	0	0	0	0	111.6	P179 D180 Y181 F185 W186	P179-A183 WeakPolarHBondContact O-CB 3.42Å; P179-A183 PolarHBondContact O-N 3.33Å; D180-A183 WeakPolarHBondContact O-CB 3.48Å; D180-A183 PolarHBondContact O-N 3.49Å; Y181-A183 PolarHBondContact O-N 2.78Å; A183-F185 VanDerWaalsContact C-N 3.33Å; A183-F185 PolarHBondContact O-N 3.37Å; A183-W186 PolarHBondContact O-N 3.3Å
184	A	98.5	Very high	98.4	Very high	11 Å²	11	38.6 Å²	38.6	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-68	-28.3	-179.6	0	0	0	0	0	113.8	Y18 Y174 D180 Y181 W186 D187	Y18-A184 HydrophobicContact CD1-CB 4.27Å; Y174-A184 HydrophobicContact CE1-CB 4.43Å; Y174-A184 WeakPolarHBondContact OH-CB 3.35Å; D180-A184 WeakPolarHBondContact O-CB 3.4Å; D180-A184 PolarHBondContact O-N 2.96Å; Y181-A184 PolarHBondContact O-N 3.09Å; A184-W186 PolarHBondContact O-N 3.21Å; A184-D187 WeakPolarHBondContact O-CB 3.42Å; A184-D187 PolarHBondContact O-N 2.98Å; A184-D187 VanDerWaalsContact O-N 3.07Å
185	F	98.7	Very high	98.4	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-54	-37.4	176	169.9	-118.2	0	0	0	112.6	F85 I88 M89 F119 I161 G162 L163 Y181 A183 D187 V188 V189	F85-F185 HydrophobicContact CE2-CE2 4.06Å; I88-F185 HydrophobicContact CD1-CE2 3.83Å; I88-F185 HydrophobicContact CD1-CZ 3.78Å; M89-F185 HydrophobicContact CG-CD2 4.5Å; M89-F185 HydrophobicContact CG-CE2 3.96Å; M89-F185 HydrophobicContact SD-CD2 4.26Å; M89-F185 HydrophobicContact SD-CE2 4.15Å; F119-F185 HydrophobicContact CE1-CE1 4.46Å; F119-F185 HydrophobicContact CZ-CE1 4.42Å; I161-F185 HydrophobicContact CG2-CE1 3.91Å; I161-F185 HydrophobicContact CG2-CZ 3.74Å; G162-F185 WeakPolarHBondContact O-CZ 3.37Å; L163-F185 HydrophobicContact CB-CD1 4.3Å; L163-F185 HydrophobicContact CB-CE1 4.11Å; L163-F185 HydrophobicContact CB-CZ 4.39Å; L163-F185 HydrophobicContact CD1-CB 3.94Å; L163-F185 HydrophobicContact CD1-CD1 3.94Å; L163-F185 HydrophobicContact CD1-CD2 3.63Å; L163-F185 HydrophobicContact CD1-CE1 4.32Å; L163-F185 HydrophobicContact CD1-CE2 4.04Å; L163-F185 HydrophobicContact CD1-CG 3.55Å; L163-F185 HydrophobicContact CD1-CZ 4.36Å; L163-F185 HydrophobicContact CD2-CB 4.33Å; L163-F185 HydrophobicContact CD2-CD1 4.04Å; L163-F185 HydrophobicContact CD2-CG 4.26Å; L163-F185 HydrophobicContact CG-CD1 4.33Å; L163-F185 HydrophobicContact CG-CG 4.39Å; Y181-F185 PolarHBondContact O-N 3.21Å; A183-F185 VanDerWaalsContact C-N 3.33Å; A183-F185 PolarHBondContact O-N 3.37Å; F185-D187 PolarHBondContact O-N 2.83Å; F185-D187 VanDerWaalsContact O-N 3.14Å; F185-V188 HydrophobicContact CD2-CG2 4.2Å; F185-V188 WeakPolarHBondContact O-CG2 3.25Å; F185-V188 PolarHBondContact O-N 3.12Å; F185-V189 HydrophobicContact CD1-CG2 4.04Å; F185-V189 HydrophobicContact CD2-CG2 4.38Å; F185-V189 HydrophobicContact CE1-CG2 3.65Å; F185-V189 HydrophobicContact CE2-CG2 4.02Å; F185-V189 HydrophobicContact CG-CG2 4.4Å; F185-V189 HydrophobicContact CZ-CG2 3.65Å; F185-V189 WeakPolarHBondContact O-CG2 3.49Å; F185-V189 PolarHBondContact O-N 3.37Å
186	W	98.6	Very high	98.4	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.045	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.7	-178.8	-62.3	105.7	0	0	0	114.2	G94 F112 M115 K116 F119 I182 A183 A184 V188 V189 W191	G94-W186 WeakPolarHBondContact CA-O 3.46Å; F112-W186 HydrophobicContact CE2-CE3 4.15Å; F112-W186 HydrophobicContact CE2-CZ3 4.14Å; F112-W186 HydrophobicContact CZ-CE3 4.13Å; M115-W186 HydrophobicContact CE-CH2 3.81Å; M115-W186 HydrophobicContact CE-CZ3 3.93Å; M115-W186 HydrophobicContact SD-CH2 4.08Å; K116-W186 HydrophobicContact CB-CZ2 4.44Å; K116-W186 HydrophobicContact CD-CD2 4.04Å; K116-W186 HydrophobicContact CD-CG 4.16Å; K116-W186 VanDerWaalsContact CE-CD1 3.46Å; K116-W186 HydrophobicContact CG-CD2 3.98Å; K116-W186 HydrophobicContact CG-CE3 4.31Å; K116-W186 HydrophobicContact CG-CH2 4.22Å; K116-W186 HydrophobicContact CG-CZ2 3.88Å; K116-W186 HydrophobicContact CG-CZ3 4.43Å; F119-W186 HydrophobicContact CB-CH2 4.22Å; F119-W186 HydrophobicContact CB-CZ2 3.91Å; F119-W186 HydrophobicContact CD1-CH2 4.04Å; F119-W186 AromaticContact CD1-CZ2 3.56Å; F119-W186 HydrophobicContact CD1-CZ2 3.56Å; F119-W186 HydrophobicContact CD2-CH2 4.2Å; F119-W186 HydrophobicContact CD2-CZ2 4.47Å; F119-W186 HydrophobicContact CE1-CH2 4.48Å; F119-W186 HydrophobicContact CE1-CZ2 4.19Å; F119-W186 AromaticContact CG-CH2 3.89Å; F119-W186 HydrophobicContact CG-CH2 3.89Å; F119-W186 AromaticContact CG-CZ2 3.73Å; F119-W186 HydrophobicContact CG-CZ2 3.73Å; I182-W186 PolarHBondContact O-NE1 3.16Å; A183-W186 PolarHBondContact O-N 3.3Å; A184-W186 PolarHBondContact O-N 3.21Å; W186-V188 VanDerWaalsContact C-N 3.3Å; W186-V189 HydrophobicContact CE3-CG2 3.87Å; W186-V189 HydrophobicContact CZ3-CG2 4.28Å; W186-W191 HydrophobicContact CE3-CZ2 4.38Å; W186-W191 HydrophobicContact CZ3-CH2 4.2Å; W186-W191 HydrophobicContact CZ3-CZ2 4.37Å
187	D	98.4	Very high	98.5	Very high	70 Å²	70	33.9 Å²	33.9	37%	0.374	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-7.3	177.2	-62.5	-63.4	0	0	0	113	Y18 A93 A184 F185	Y18-D187 HydrophobicContact CD1-CB 3.61Å; Y18-D187 HydrophobicContact CD2-CB 4.06Å; Y18-D187 HydrophobicContact CE1-CB 3.3Å; Y18-D187 HydrophobicContact CE2-CB 3.75Å; Y18-D187 HydrophobicContact CG-CB 3.98Å; A93-D187 CarbonylContact C-O 3.59Å; A184-D187 WeakPolarHBondContact O-CB 3.42Å; A184-D187 PolarHBondContact O-N 2.98Å; A184-D187 VanDerWaalsContact O-N 3.07Å; F185-D187 PolarHBondContact O-N 2.83Å; F185-D187 VanDerWaalsContact O-N 3.14Å
188	V	98.7	Very high	98.6	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-1.8	177.1	-62.9	0	0	0	0	113.6	L15 Y18 M89 A90 F185 W186 N190	L15-V188 HydrophobicContact CB-CG1 4.22Å; L15-V188 HydrophobicContact CD2-CB 4.19Å; L15-V188 HydrophobicContact CD2-CG1 4.09Å; Y18-V188 HydrophobicContact CD2-CG1 3.38Å; Y18-V188 HydrophobicContact CE2-CG1 4.2Å; Y18-V188 HydrophobicContact CG-CG1 3.94Å; M89-V188 CarbonylContact C-O 3.47Å; M89-V188 WeakPolarHBondContact CA-O 3.4Å; M89-V188 HydrophobicContact CB-CB 4.47Å; M89-V188 HydrophobicContact CB-CG2 4.35Å; M89-V188 HydrophobicContact CG-CG2 4.04Å; M89-V188 HydrophobicContact SD-CG2 3.93Å; A90-V188 PolarHBondContact N-O 3.09Å; F185-V188 HydrophobicContact CD2-CG2 4.2Å; F185-V188 WeakPolarHBondContact O-CG2 3.25Å; F185-V188 PolarHBondContact O-N 3.12Å; W186-V188 VanDerWaalsContact C-N 3.3Å; V188-N190 PolarHBondContact O-N 3.09Å
189	V	98.8	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-59.2	124.9	179.9	170	0	0	0	0	110.7	A93 G94 I161 F185 W186 W191	A93-V189 WeakPolarHBondContact CB-O 3.45Å; G94-V189 PolarHBondContact N-O 3.4Å; I161-V189 HydrophobicContact CD1-CG1 3.67Å; F185-V189 HydrophobicContact CD1-CG2 4.04Å; F185-V189 HydrophobicContact CD2-CG2 4.38Å; F185-V189 HydrophobicContact CE1-CG2 3.65Å; F185-V189 HydrophobicContact CE2-CG2 4.02Å; F185-V189 HydrophobicContact CG-CG2 4.4Å; F185-V189 HydrophobicContact CZ-CG2 3.65Å; F185-V189 WeakPolarHBondContact O-CG2 3.49Å; F185-V189 PolarHBondContact O-N 3.37Å; W186-V189 HydrophobicContact CE3-CG2 3.87Å; W186-V189 HydrophobicContact CZ3-CG2 4.28Å; V189-W191 HydrophobicContact CB-CZ2 4.49Å; V189-W191 HydrophobicContact CG1-CD2 3.76Å; V189-W191 HydrophobicContact CG1-CE3 4.04Å; V189-W191 HydrophobicContact CG1-CG 4.31Å; V189-W191 HydrophobicContact CG1-CH2 4.11Å; V189-W191 HydrophobicContact CG1-CZ2 3.83Å; V189-W191 HydrophobicContact CG1-CZ3 4.22Å; V189-W191 PolarHBondContact O-N 2.98Å
190	N	98.8	Very high	98.4	Very high	32 Å²	32	37 Å²	37	17%	0.171	21%	0.209	C	C	.	.			trans	-86	92.4	175.4	-174.9	-8.6	0	0	0	110.3	K87 I88 A90 V188 D192 Q193 A194	K87-N190 PolarHBondContact O-ND2 3.24Å; K87-N190 VanDerWaalsContact O-ND2 3.16Å; I88-N190 PolarHBondContact O-N 3.06Å; A90-N190 HydrophobicContact CB-CB 3.89Å; V188-N190 PolarHBondContact O-N 3.09Å; N190-D192 VanDerWaalsContact C-N 3.28Å; N190-D192 PolarHBondContact O-N 3.45Å; N190-D192 PolarHBondContact OD1-N 3.37Å; N190-Q193 HydrophobicContact CB-CB 4.09Å; N190-Q193 PolarHBondContact O-N 3.06Å; N190-Q193 PolarHBondContact OD1-N 3.49Å; N190-Q193 VanDerWaalsContact OD1-N 3.1Å; N190-A194 PolarHBondContact O-N 3.4Å
191	W	98.6	Very high	98.1	Very high	12 Å²	12	34.2 Å²	34.2	5%	0.045	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-26.2	179.6	-69	120.6	0	0	0	113.8	G95 P97 I101 I105 F112 M115 I161 W186 V189 A194 N195	G95-W191 PolarHBondContact O-NE1 3.31Å; P97-W191 HydrophobicContact CB-CD2 3.77Å; P97-W191 HydrophobicContact CB-CE3 3.69Å; P97-W191 HydrophobicContact CB-CG 4.45Å; P97-W191 HydrophobicContact CB-CH2 3.98Å; P97-W191 HydrophobicContact CB-CZ2 4.05Å; P97-W191 HydrophobicContact CB-CZ3 3.78Å; P97-W191 HydrophobicContact CG-CH2 4.38Å; P97-W191 HydrophobicContact CG-CZ2 4.38Å; I101-W191 HydrophobicContact CG1-CE3 4.39Å; I101-W191 HydrophobicContact CG1-CZ3 4.23Å; I101-W191 HydrophobicContact CG2-CE3 4.02Å; I105-W191 HydrophobicContact CD1-CH2 4.12Å; I105-W191 HydrophobicContact CD1-CZ3 3.91Å; F112-W191 HydrophobicContact CD2-CH2 4.32Å; F112-W191 HydrophobicContact CD2-CZ2 4.34Å; F112-W191 AromaticContact CE2-CH2 3.63Å; F112-W191 HydrophobicContact CE2-CH2 3.63Å; F112-W191 AromaticContact CE2-CZ2 3.42Å; F112-W191 HydrophobicContact CE2-CZ2 3.42Å; F112-W191 VanDerWaalsContact CE2-CZ2 3.42Å; F112-W191 HydrophobicContact CZ-CH2 4.3Å; F112-W191 AromaticContact CZ-CZ2 3.61Å; F112-W191 HydrophobicContact CZ-CZ2 3.61Å; M115-W191 HydrophobicContact CE-CH2 4.27Å; I161-W191 HydrophobicContact CD1-CE3 3.85Å; I161-W191 HydrophobicContact CD1-CH2 3.72Å; I161-W191 HydrophobicContact CD1-CZ3 3.24Å; W186-W191 HydrophobicContact CE3-CZ2 4.38Å; W186-W191 HydrophobicContact CZ3-CH2 4.2Å; W186-W191 HydrophobicContact CZ3-CZ2 4.37Å; V189-W191 HydrophobicContact CB-CZ2 4.49Å; V189-W191 HydrophobicContact CG1-CD2 3.76Å; V189-W191 HydrophobicContact CG1-CE3 4.04Å; V189-W191 HydrophobicContact CG1-CG 4.31Å; V189-W191 HydrophobicContact CG1-CH2 4.11Å; V189-W191 HydrophobicContact CG1-CZ2 3.83Å; V189-W191 HydrophobicContact CG1-CZ3 4.22Å; V189-W191 PolarHBondContact O-N 2.98Å; W191-A194 HydrophobicContact CE3-CB 4Å; W191-A194 PolarHBondContact O-N 3.01Å; W191-N195 PolarHBondContact O-N 3.44Å; W191-N195 PolarHBondContact O-ND2 3.34Å
192	D	98.5	Very high	97	Very high	107 Å²	107	43.9 Å²	43.9	57%	0.572	24%	0.24	S	C	*	.	H	α-helix	trans	-66.3	-46.5	174	-68.3	-21.7	0	0	0	110	N190 A194 N195 E196	N190-D192 VanDerWaalsContact C-N 3.28Å; N190-D192 PolarHBondContact O-N 3.45Å; N190-D192 PolarHBondContact OD1-N 3.37Å; D192-A194 VanDerWaalsContact C-N 3.31Å; D192-A194 PolarHBondContact O-N 3.4Å; D192-N195 WeakPolarHBondContact O-CB 3.15Å; D192-N195 PolarHBondContact O-N 3.44Å; D192-N195 VanDerWaalsContact O-N 3.16Å; D192-E196 PolarHBondContact O-N 3.11Å
193	Q	98.6	Very high	96.9	Very high	33 Å²	33	46.1 Å²	46.1	15%	0.154	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-37.2	174	-171.3	66	77	0	0	112.1	K87 I88 N190 N195 E196 N197	K87-Q193 HydrophobicContact CB-CG 4Å; K87-Q193 WeakPolarHBondContact O-CB 3.16Å; K87-Q193 WeakPolarHBondContact O-CG 3.37Å; I88-Q193 HydrophobicContact CG2-CG 4.06Å; N190-Q193 HydrophobicContact CB-CB 4.09Å; N190-Q193 PolarHBondContact O-N 3.06Å; N190-Q193 PolarHBondContact OD1-N 3.49Å; N190-Q193 VanDerWaalsContact OD1-N 3.1Å; Q193-N195 VanDerWaalsContact C-N 3.32Å; Q193-N195 PolarHBondContact O-N 2.9Å; Q193-E196 PolarHBondContact NE2-OE2 3.07Å; Q193-E196 PolarHBondContact O-N 3.28Å; Q193-N197 PolarHBondContact NE2-OD1 2.85Å; Q193-N197 WeakPolarHBondContact O-CB 3.44Å; Q193-N197 PolarHBondContact O-N 2.87Å; Q193-N197 PolarHBondContact O-ND2 2.99Å; Q193-N197 PolarHBondContact O-OD1 3.34Å
194	A	98.7	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-37.7	175.7	0	0	0	0	0	112.3	I101 I160 I161 N190 W191 D192 L198	I101-A194 HydrophobicContact CG1-CB 4.3Å; I160-A194 HydrophobicContact CG2-CB 4.33Å; I161-A194 HydrophobicContact CD1-CB 3.88Å; I161-A194 HydrophobicContact CG1-CB 3.86Å; N190-A194 PolarHBondContact O-N 3.4Å; W191-A194 HydrophobicContact CE3-CB 4Å; W191-A194 PolarHBondContact O-N 3.01Å; D192-A194 VanDerWaalsContact C-N 3.31Å; D192-A194 PolarHBondContact O-N 3.4Å; A194-L198 WeakPolarHBondContact O-CB 3.24Å; A194-L198 PolarHBondContact O-N 2.87Å
195	N	98.6	Very high	96.8	Very high	29 Å²	29	47.8 Å²	47.8	16%	0.155	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-43.6	172	-81.9	-68.9	0	0	0	112	T98 A100 I101 W191 D192 Q193 L198 A199	T98-N195 PolarHBondContact O-ND2 3.32Å; T98-N195 PolarHBondContact O-OD1 3.09Å; A100-N195 PolarHBondContact N-OD1 2.84Å; I101-N195 WeakPolarHBondContact CG2-ND2 3.33Å; I101-N195 WeakPolarHBondContact CG2-OD1 3.2Å; I101-N195 PolarHBondContact N-OD1 3.18Å; W191-N195 PolarHBondContact O-N 3.44Å; W191-N195 PolarHBondContact O-ND2 3.34Å; D192-N195 WeakPolarHBondContact O-CB 3.15Å; D192-N195 PolarHBondContact O-N 3.44Å; D192-N195 VanDerWaalsContact O-N 3.16Å; Q193-N195 VanDerWaalsContact C-N 3.32Å; Q193-N195 PolarHBondContact O-N 2.9Å; N195-L198 PolarHBondContact O-N 2.53Å; N195-A199 WeakPolarHBondContact O-CB 3.31Å; N195-A199 PolarHBondContact O-N 3.06Å
196	E	98.6	Very high	96.7	Very high	105 Å²	105	50.5 Å²	50.5	49%	0.491	27%	0.266	S	S	.	.	H	α-helix	trans	-61.2	-45.1	175.5	-71.5	-179.3	-174.9	0	0	111.7	D192 Q193 L198 A199 N200	D192-E196 PolarHBondContact O-N 3.11Å; Q193-E196 PolarHBondContact NE2-OE2 3.07Å; Q193-E196 PolarHBondContact O-N 3.28Å; E196-L198 VanDerWaalsContact C-N 3.3Å; E196-L198 PolarHBondContact O-N 3.04Å; E196-A199 PolarHBondContact O-N 3.36Å; E196-N200 WeakPolarHBondContact O-CB 3.46Å; E196-N200 VanDerWaalsContact O-CG 3.25Å; E196-N200 PolarHBondContact O-N 2.86Å; E196-N200 PolarHBondContact O-ND2 2.84Å
197	N	98.4	Very high	96.5	Very high	25 Å²	25	52.9 Å²	52.9	13%	0.134	28%	0.28	C	S	.	.	H	α-helix	trans	-58.8	-44	176.3	-66.8	-15.5	0	0	0	110.8	F84 I160 Q193 A201	F84-N197 WeakPolarHBondContact CE2-ND2 3.37Å; I160-N197 HydrophobicContact CD1-CB 4.18Å; I160-N197 PolarHBondContact O-ND2 3.38Å; Q193-N197 PolarHBondContact NE2-OD1 2.85Å; Q193-N197 WeakPolarHBondContact O-CB 3.44Å; Q193-N197 PolarHBondContact O-N 2.87Å; Q193-N197 PolarHBondContact O-ND2 2.99Å; Q193-N197 PolarHBondContact O-OD1 3.34Å; N197-A201 VanDerWaalsContact O-CB 3.32Å; N197-A201 WeakPolarHBondContact O-CB 3.4Å; N197-A201 PolarHBondContact O-N 2.83Å; N197-A201 VanDerWaalsContact O-N 3.16Å
198	L	98.2	Very high	96.4	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-38.6	177	-178.4	64.7	0	0	0	112.4	A100 I101 A104 L136 I160 A194 N195 E196 A201	A100-L198 HydrophobicContact CB-CD2 4.33Å; I101-L198 HydrophobicContact CB-CD2 4.23Å; I101-L198 HydrophobicContact CD1-CD2 4.03Å; A104-L198 HydrophobicContact CB-CD2 3.96Å; L136-L198 HydrophobicContact CD1-CD1 4.03Å; L136-L198 HydrophobicContact CD2-CD1 4.36Å; I160-L198 HydrophobicContact CD1-CB 4.32Å; I160-L198 HydrophobicContact CD1-CD1 4.39Å; A194-L198 WeakPolarHBondContact O-CB 3.24Å; A194-L198 PolarHBondContact O-N 2.87Å; N195-L198 PolarHBondContact O-N 2.53Å; E196-L198 VanDerWaalsContact C-N 3.3Å; E196-L198 PolarHBondContact O-N 3.04Å; L198-A201 PolarHBondContact O-N 3.41Å
199	A	97.6	Very high	96.2	Very high	61 Å²	61	55.4 Å²	55.4	50%	0.504	29%	0.292	S	S	.	.	H	α-helix	trans	-67.8	-42	178.6	0	0	0	0	0	111.7	N195 E196 A201 K202	N195-A199 WeakPolarHBondContact O-CB 3.31Å; N195-A199 PolarHBondContact O-N 3.06Å; E196-A199 PolarHBondContact O-N 3.36Å; A199-A201 PolarHBondContact O-N 3.31Å; A199-K202 PolarHBondContact O-N 2.93Å
200	N	96.3	Very high	96.1	Very high	133 Å²	133	59.6 Å²	59.6	71%	0.711	32%	0.315	S	S	*	.	H	α-helix	trans	-73.3	-14.9	179	-67.1	-25.3	0	0	0	113.5	E196	E196-N200 WeakPolarHBondContact O-CB 3.46Å; E196-N200 VanDerWaalsContact O-CG 3.25Å; E196-N200 PolarHBondContact O-N 2.86Å; E196-N200 PolarHBondContact O-ND2 2.84Å
201	A	92.4	Very high	95.8	Very high	29 Å²	29	61.9 Å²	61.9	24%	0.24	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.1	178.5	0	0	0	0	0	113.9	L136 T158 I160 N197 L198 A199	L136-A201 HydrophobicContact CD2-CB 3.55Å; T158-A201 HydrophobicContact CG2-CB 3.66Å; I160-A201 HydrophobicContact CD1-CB 4.49Å; N197-A201 VanDerWaalsContact O-CB 3.32Å; N197-A201 WeakPolarHBondContact O-CB 3.4Å; N197-A201 PolarHBondContact O-N 2.83Å; N197-A201 VanDerWaalsContact O-N 3.16Å; L198-A201 PolarHBondContact O-N 3.41Å; A199-A201 PolarHBondContact O-N 3.31Å
202	K	75.2	Confident	95.6	Very high	205 Å²	205	66.5 Å²	66.5	89%	0.891	35%	0.352	S	S	*	.			trans	-97.3	0	180	-71.4	176.4	177.8	176.7	0	111.3	A199	A199-K202 PolarHBondContact O-N 2.93Å

Retrieved 202 of 202 residues in 196.2 ms (Link to these results)

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